| 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 | 35.6 | Very low | 49 | Very low | 219 Ų | 219 | 87.1 Ų | 87.1 | 100% | 1.079 | 51% | 0.514 | S | S | * | . | 0 | -43.4 | 0 | -70.9 | 179 | 71.5 | 0 | 0 | 112.6 | N3 A4 | M1-N3 PolarHBondContact O-N 2.93Å; M1-A4 WeakPolarHBondContact O-CB 3.47Å; M1-A4 PolarHBondContact O-N 3.37Å | |||
| 2 | H | 40.4 | Very low | 49.9 | Very low | 168 Ų | 168 | 82.9 Ų | 82.9 | 78% | 0.778 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.4 | -30.7 | 179.9 | -79.1 | -61.4 | 0 | 0 | 0 | 116.8 | A4 A5 S6 | H2-A4 PolarHBondContact O-N 3.1Å; H2-A5 PolarHBondContact O-N 3.11Å; H2-A5 VanDerWaalsContact O-N 3.15Å; H2-S6 PolarHBondContact O-N 3.11Å |
| 3 | N | 43.1 | Very low | 50.6 | Low | 107 Ų | 107 | 78.3 Ų | 78.3 | 57% | 0.572 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.7 | -27.8 | 173.4 | -78.1 | 3 | 0 | 0 | 0 | 112.9 | M1 S6 V7 | M1-N3 PolarHBondContact O-N 2.93Å; N3-S6 PolarHBondContact O-OG 3.18Å; N3-V7 WeakPolarHBondContact O-CB 3.31Å; N3-V7 WeakPolarHBondContact O-CG2 3.31Å; N3-V7 PolarHBondContact O-N 2.61Å; N3-V7 VanDerWaalsContact O-N 3.14Å |
| 4 | A | 44 | Very low | 51.2 | Low | 63 Ų | 63 | 74.6 Ų | 74.6 | 52% | 0.521 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.5 | -37.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | M1 H2 S8 | M1-A4 WeakPolarHBondContact O-CB 3.47Å; M1-A4 PolarHBondContact O-N 3.37Å; H2-A4 PolarHBondContact O-N 3.1Å; A4-S8 WeakPolarHBondContact O-CB 3.23Å; A4-S8 PolarHBondContact O-N 2.65Å; A4-S8 PolarHBondContact O-OG 3.19Å |
| 5 | A | 46.9 | Very low | 51.7 | Low | 57 Ų | 57 | 72.3 Ų | 72.3 | 47% | 0.471 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69.4 | -37.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | H2 S8 A9 | H2-A5 PolarHBondContact O-N 3.11Å; H2-A5 VanDerWaalsContact O-N 3.15Å; A5-S8 PolarHBondContact O-N 3.19Å; A5-A9 WeakPolarHBondContact O-CB 3.43Å; A5-A9 PolarHBondContact O-N 3.15Å |
| 6 | S | 49.9 | Very low | 52.2 | Low | 23 Ų | 23 | 75.1 Ų | 75.1 | 16% | 0.161 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -72.6 | -36 | 176 | 59.7 | 0 | 0 | 0 | 0 | 112.6 | H2 N3 A9 S10 S40 | H2-S6 PolarHBondContact O-N 3.11Å; N3-S6 PolarHBondContact O-OG 3.18Å; S6-A9 PolarHBondContact O-N 3.35Å; S6-S10 WeakPolarHBondContact O-CB 3.38Å; S6-S10 PolarHBondContact O-N 3.28Å; S6-S40 PolarHBondContact OG-OG 2.83Å |
| 7 | V | 53.6 | Low | 52.8 | Low | 63 Ų | 63 | 73.6 Ų | 73.6 | 38% | 0.382 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 170.9 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | N3 A9 S10 L11 Y35 | N3-V7 WeakPolarHBondContact O-CB 3.31Å; N3-V7 WeakPolarHBondContact O-CG2 3.31Å; N3-V7 PolarHBondContact O-N 2.61Å; N3-V7 VanDerWaalsContact O-N 3.14Å; V7-A9 PolarHBondContact O-N 2.72Å; V7-S10 PolarHBondContact O-N 3.29Å; V7-L11 HydrophobicContact CG1-CD1 3.74Å; V7-L11 HydrophobicContact CG1-CG 4.34Å; V7-L11 WeakPolarHBondContact O-CB 3.37Å; V7-L11 VanDerWaalsContact O-CG 3.29Å; V7-L11 WeakPolarHBondContact O-CG 3.05Å; V7-L11 PolarHBondContact O-N 3.11Å; V7-Y35 HydrophobicContact CG2-CE2 4.42Å |
| 8 | S | 54.5 | Low | 53.4 | Low | 76 Ų | 76 | 80.3 Ų | 80.3 | 53% | 0.531 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 174.5 | -63.7 | 0 | 0 | 0 | 0 | 113.1 | A4 A5 G12 | A4-S8 WeakPolarHBondContact O-CB 3.23Å; A4-S8 PolarHBondContact O-N 2.65Å; A4-S8 PolarHBondContact O-OG 3.19Å; A5-S8 PolarHBondContact O-N 3.19Å; S8-G12 PolarHBondContact O-N 3.41Å |
| 9 | A | 55.8 | Low | 53.9 | Low | 58 Ų | 58 | 83.9 Ų | 83.9 | 48% | 0.479 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.7 | -36.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A5 S6 V7 G12 S13 | A5-A9 WeakPolarHBondContact O-CB 3.43Å; A5-A9 PolarHBondContact O-N 3.15Å; S6-A9 PolarHBondContact O-N 3.35Å; V7-A9 PolarHBondContact O-N 2.72Å; A9-G12 PolarHBondContact O-N 2.9Å; A9-S13 PolarHBondContact O-N 3.47Å; A9-S13 PolarHBondContact O-OG 3.43Å |
| 10 | S | 58 | Low | 54.5 | Low | 16 Ų | 16 | 85.6 Ų | 85.6 | 11% | 0.112 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -68.7 | -40.7 | 174.1 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | S6 V7 S13 L14 G31 | S6-S10 WeakPolarHBondContact O-CB 3.38Å; S6-S10 PolarHBondContact O-N 3.28Å; V7-S10 PolarHBondContact O-N 3.29Å; S10-S13 WeakPolarHBondContact CA-OG 3.43Å; S10-S13 PolarHBondContact O-N 3.13Å; S10-S13 PolarHBondContact O-OG 2.96Å; S10-L14 WeakPolarHBondContact O-CG 3.33Å; S10-L14 PolarHBondContact O-N 2.97Å; S10-G31 PolarHBondContact OG-O 2.9Å |
| 11 | L | 56.8 | Low | 55.2 | Low | 108 Ų | 108 | 84.8 Ų | 84.8 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.5 | -36.2 | 173.7 | -70.8 | 169.1 | 0 | 0 | 0 | 112.2 | V7 L14 G15 | V7-L11 HydrophobicContact CG1-CD1 3.74Å; V7-L11 HydrophobicContact CG1-CG 4.34Å; V7-L11 WeakPolarHBondContact O-CB 3.37Å; V7-L11 VanDerWaalsContact O-CG 3.29Å; V7-L11 WeakPolarHBondContact O-CG 3.05Å; V7-L11 PolarHBondContact O-N 3.11Å; L11-L14 HydrophobicContact CD2-CD1 4.29Å; L11-L14 WeakPolarHBondContact O-CB 3.39Å; L11-L14 PolarHBondContact O-N 3.28Å; L11-G15 PolarHBondContact O-N 3.2Å |
| 12 | G | 59.8 | Low | 56.9 | Low | 37 Ų | 37 | 77 Ų | 77 | 38% | 0.381 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S8 A9 G15 L16 | S8-G12 PolarHBondContact O-N 3.41Å; A9-G12 PolarHBondContact O-N 2.9Å; G12-G15 PolarHBondContact O-N 2.82Å; G12-L16 PolarHBondContact O-N 3.17Å |
| 13 | S | 59.5 | Low | 58.7 | Low | 23 Ų | 23 | 71.8 Ų | 71.8 | 16% | 0.161 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -69.9 | -36.2 | 174.4 | 41.3 | 0 | 0 | 0 | 0 | 112.7 | A9 S10 G15 L16 L17 | A9-S13 PolarHBondContact O-N 3.47Å; A9-S13 PolarHBondContact O-OG 3.43Å; S10-S13 WeakPolarHBondContact CA-OG 3.43Å; S10-S13 PolarHBondContact O-N 3.13Å; S10-S13 PolarHBondContact O-OG 2.96Å; S13-G15 VanDerWaalsContact C-N 3.32Å; S13-G15 PolarHBondContact O-N 3.46Å; S13-L16 PolarHBondContact O-N 3.03Å; S13-L17 WeakPolarHBondContact O-CG 3.22Å; S13-L17 PolarHBondContact O-N 3.1Å |
| 14 | L | 58.4 | Low | 60 | Low | 27 Ų | 27 | 74 Ų | 74 | 14% | 0.141 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 168.8 | -79.7 | 161.4 | 0 | 0 | 0 | 112.3 | S10 L11 R18 W24 S27 | S10-L14 WeakPolarHBondContact O-CG 3.33Å; S10-L14 PolarHBondContact O-N 2.97Å; L11-L14 HydrophobicContact CD2-CD1 4.29Å; L11-L14 WeakPolarHBondContact O-CB 3.39Å; L11-L14 PolarHBondContact O-N 3.28Å; L14-R18 PolarHBondContact O-N 3.14Å; L14-W24 HydrophobicContact CD2-CH2 4.35Å; L14-W24 HydrophobicContact CD2-CZ3 4.18Å; L14-S27 WeakPolarHBondContact CD2-O 3.35Å |
| 15 | G | 59.8 | Low | 61.4 | Low | 39 Ų | 39 | 74.9 Ų | 74.9 | 40% | 0.402 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | L11 G12 S13 R18 | L11-G15 PolarHBondContact O-N 3.2Å; G12-G15 PolarHBondContact O-N 2.82Å; S13-G15 VanDerWaalsContact C-N 3.32Å; S13-G15 PolarHBondContact O-N 3.46Å; G15-R18 WeakPolarHBondContact O-CB 3.46Å; G15-R18 PolarHBondContact O-N 3.29Å |
| 16 | L | 59.8 | Low | 62.6 | Low | 117 Ų | 117 | 80.8 Ų | 80.8 | 61% | 0.613 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.8 | -41.6 | 177.9 | -82.9 | 158.4 | 0 | 0 | 0 | 112.7 | G12 S13 R18 L19 | G12-L16 PolarHBondContact O-N 3.17Å; S13-L16 PolarHBondContact O-N 3.03Å; L16-R18 PolarHBondContact O-N 2.94Å; L16-L19 WeakPolarHBondContact O-CB 3.24Å; L16-L19 PolarHBondContact O-N 3.22Å; L16-L19 VanDerWaalsContact O-N 3.12Å |
| 17 | L | 61.6 | Low | 63.5 | Low | 50 Ų | 50 | 79.7 Ų | 79.7 | 26% | 0.262 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.4 | -25.8 | 178.5 | -72.5 | 165.4 | 0 | 0 | 0 | 112.9 | S13 V20 V22 A30 | S13-L17 WeakPolarHBondContact O-CG 3.22Å; S13-L17 PolarHBondContact O-N 3.1Å; L17-V20 PolarHBondContact O-N 2.88Å; L17-V22 HydrophobicContact CB-CB 4.47Å; L17-V22 HydrophobicContact CD2-CG2 4.26Å; L17-V22 PolarHBondContact O-N 3.21Å; L17-A30 HydrophobicContact CD1-CB 3.52Å |
| 18 | R | 63.5 | Low | 64.3 | Low | 194 Ų | 194 | 81.2 Ų | 81.2 | 73% | 0.732 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -70.9 | -32.4 | 174.5 | -162.9 | -175.7 | -175.2 | -167.4 | 1.9 | 112.6 | L14 G15 L16 V20 G21 | L14-R18 PolarHBondContact O-N 3.14Å; G15-R18 WeakPolarHBondContact O-CB 3.46Å; G15-R18 PolarHBondContact O-N 3.29Å; L16-R18 PolarHBondContact O-N 2.94Å; R18-V20 PolarHBondContact O-N 3.11Å; R18-G21 PolarHBondContact O-N 2.87Å |
| 19 | L | 62.8 | Low | 65.1 | Low | 149 Ų | 149 | 80 Ų | 80 | 78% | 0.78 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68.1 | -17.9 | 176.7 | -70.8 | 167.6 | 0 | 0 | 0 | 112.6 | L16 | L16-L19 WeakPolarHBondContact O-CB 3.24Å; L16-L19 PolarHBondContact O-N 3.22Å; L16-L19 VanDerWaalsContact O-N 3.12Å |
| 20 | V | 65.7 | Low | 65.6 | Low | 117 Ų | 117 | 79 Ų | 79 | 71% | 0.709 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | 13.6 | -179 | -152.9 | 0 | 0 | 0 | 0 | 112.3 | L17 R18 V22 | L17-V20 PolarHBondContact O-N 2.88Å; R18-V20 PolarHBondContact O-N 3.11Å; V20-V22 PolarHBondContact O-N 3.03Å |
| 21 | G | 69.3 | Low | 66 | Low | 70 Ų | 70 | 78.3 Ų | 78.3 | 72% | 0.722 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 17.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116 | R18 | R18-G21 PolarHBondContact O-N 2.87Š|
| 22 | V | 72.3 | Confident | 66.3 | Low | 54 Ų | 54 | 77.9 Ų | 77.9 | 33% | 0.327 | 44% | 0.44 | S | S | . | . | trans | -73.2 | 135 | 179.6 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | L17 V20 W26 S27 | L17-V22 HydrophobicContact CB-CB 4.47Å; L17-V22 HydrophobicContact CD2-CG2 4.26Å; L17-V22 PolarHBondContact O-N 3.21Å; V20-V22 PolarHBondContact O-N 3.03Å; V22-W26 HydrophobicContact CG1-CB 3.5Å; V22-W26 VanDerWaalsContact CG1-CB 3.5Å; V22-S27 PolarHBondContact O-OG 3.25Å | ||
| 23 | S | 77.4 | Confident | 66.6 | Low | 59 Ų | 59 | 78 Ų | 78 | 41% | 0.413 | 44% | 0.441 | S | S | . | . | trans | -63.9 | 155 | 180 | 75.7 | 0 | 0 | 0 | 0 | 112.6 | S25 W26 S27 | S23-S25 VanDerWaalsContact C-N 3.3Å; S23-S25 PolarHBondContact O-N 2.92Å; S23-S25 PolarHBondContact OG-OG 3.32Å; S23-W26 PolarHBondContact O-N 3.49Å; S23-S27 PolarHBondContact O-N 3.29Å; S23-S27 PolarHBondContact O-OG 2.89Å | ||
| 24 | W | 71.6 | Confident | 66.8 | Low | 154 Ų | 154 | 80.4 Ų | 80.4 | 58% | 0.583 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.7 | -32.2 | -169.3 | -144.9 | -154.4 | 0 | 0 | 0 | 114.8 | L14 L28 | L14-W24 HydrophobicContact CD2-CH2 4.35Å; L14-W24 HydrophobicContact CD2-CZ3 4.18Å; W24-L28 VanDerWaalsContact O-CB 3.31Å; W24-L28 WeakPolarHBondContact O-CB 3.42Å; W24-L28 WeakPolarHBondContact O-CD1 3.36Å; W24-L28 WeakPolarHBondContact O-CG 3.49Å; W24-L28 PolarHBondContact O-N 3.13Å |
| 25 | S | 71.6 | Confident | 66.8 | Low | 81 Ų | 81 | 81.7 Ų | 81.7 | 57% | 0.566 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.6 | -42 | 173.1 | 45.5 | 0 | 0 | 0 | 0 | 112.4 | S23 A29 | S23-S25 VanDerWaalsContact C-N 3.3Å; S23-S25 PolarHBondContact O-N 2.92Å; S23-S25 PolarHBondContact OG-OG 3.32Å; S25-A29 VanDerWaalsContact O-CB 3.27Å; S25-A29 WeakPolarHBondContact O-CB 3.36Å; S25-A29 PolarHBondContact O-N 3.44Å |
| 26 | W | 73 | Confident | 66.8 | Low | 182 Ų | 182 | 83 Ų | 83 | 69% | 0.689 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -75.7 | -35.2 | 178.5 | -77.7 | 109.7 | 0 | 0 | 0 | 112.9 | V22 S23 A29 A30 | V22-W26 HydrophobicContact CG1-CB 3.5Å; V22-W26 VanDerWaalsContact CG1-CB 3.5Å; S23-W26 PolarHBondContact O-N 3.49Å; W26-A29 PolarHBondContact O-N 2.63Å; W26-A30 VanDerWaalsContact O-CB 3.25Å; W26-A30 WeakPolarHBondContact O-CB 3.34Å; W26-A30 PolarHBondContact O-N 2.98Å |
| 27 | S | 69.3 | Low | 66.7 | Low | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -67 | -40.6 | 172.5 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | L14 V22 S23 A30 G31 | L14-S27 WeakPolarHBondContact CD2-O 3.35Å; V22-S27 PolarHBondContact O-OG 3.25Å; S23-S27 PolarHBondContact O-N 3.29Å; S23-S27 PolarHBondContact O-OG 2.89Å; S27-A30 PolarHBondContact O-N 3.09Å; S27-G31 PolarHBondContact O-N 2.87Å |
| 28 | L | 70.8 | Confident | 66.7 | Low | 95 Ų | 95 | 80.8 Ų | 80.8 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 171.6 | -83.5 | 160.9 | 0 | 0 | 0 | 111.5 | W24 G31 L32 | W24-L28 VanDerWaalsContact O-CB 3.31Å; W24-L28 WeakPolarHBondContact O-CB 3.42Å; W24-L28 WeakPolarHBondContact O-CD1 3.36Å; W24-L28 WeakPolarHBondContact O-CG 3.49Å; W24-L28 PolarHBondContact O-N 3.13Å; L28-G31 PolarHBondContact O-N 3.5Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 PolarHBondContact O-N 2.89Å |
| 29 | A | 70.6 | Confident | 66.3 | Low | 50 Ų | 50 | 80.5 Ų | 80.5 | 41% | 0.413 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S25 W26 G33 | S25-A29 VanDerWaalsContact O-CB 3.27Å; S25-A29 WeakPolarHBondContact O-CB 3.36Å; S25-A29 PolarHBondContact O-N 3.44Å; W26-A29 PolarHBondContact O-N 2.63Å; A29-G33 PolarHBondContact O-N 2.71Å |
| 30 | A | 66.3 | Low | 66.4 | Low | 37 Ų | 37 | 73.8 Ų | 73.8 | 31% | 0.306 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -75.4 | -39 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L17 W26 S27 L32 G33 V34 | L17-A30 HydrophobicContact CD1-CB 3.52Å; W26-A30 VanDerWaalsContact O-CB 3.25Å; W26-A30 WeakPolarHBondContact O-CB 3.34Å; W26-A30 PolarHBondContact O-N 2.98Å; S27-A30 PolarHBondContact O-N 3.09Å; A30-L32 VanDerWaalsContact C-N 3.34Å; A30-G33 CarbonylContact O-C 3.59Å; A30-G33 PolarHBondContact O-N 2.72Å; A30-V34 WeakPolarHBondContact O-CG2 3.38Å; A30-V34 PolarHBondContact O-N 3.07Å |
| 31 | G | 65.4 | Low | 66.9 | Low | 2 Ų | 2 | 74.9 Ų | 74.9 | 2% | 0.021 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S10 S27 L28 Y35 | S10-G31 PolarHBondContact OG-O 2.9Å; S27-G31 PolarHBondContact O-N 2.87Å; L28-G31 PolarHBondContact O-N 3.5Å; G31-Y35 WeakPolarHBondContact O-CB 3.34Å; G31-Y35 PolarHBondContact O-N 3.19Å |
| 32 | L | 64.8 | Low | 67.5 | Low | 99 Ų | 99 | 77.1 Ų | 77.1 | 52% | 0.518 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 169.1 | -169.5 | 66.8 | 0 | 0 | 0 | 110.7 | L28 A30 Y35 L36 | L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 PolarHBondContact O-N 2.89Å; A30-L32 VanDerWaalsContact C-N 3.34Å; L32-Y35 PolarHBondContact O-N 3.46Å; L32-L36 HydrophobicContact CD1-CD1 4.42Å; L32-L36 HydrophobicContact CD1-CG 4.37Å; L32-L36 HydrophobicContact CD2-CD1 4.35Å; L32-L36 HydrophobicContact CG-CD1 3.79Å; L32-L36 HydrophobicContact CG-CG 4.17Å; L32-L36 WeakPolarHBondContact O-CB 3.23Å; L32-L36 WeakPolarHBondContact O-CG 3.26Å; L32-L36 PolarHBondContact O-N 2.87Å |
| 33 | G | 64.5 | Low | 68.1 | Low | 40 Ų | 40 | 79.2 Ų | 79.2 | 41% | 0.412 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A29 A30 G37 | A29-G33 PolarHBondContact O-N 2.71Å; A30-G33 CarbonylContact O-C 3.59Å; A30-G33 PolarHBondContact O-N 2.72Å; G33-G37 PolarHBondContact O-N 3.33Å |
| 34 | V | 63.9 | Low | 68.5 | Low | 73 Ų | 73 | 80.9 Ų | 80.9 | 44% | 0.442 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 173.6 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | A30 G37 T38 | A30-V34 WeakPolarHBondContact O-CG2 3.38Å; A30-V34 PolarHBondContact O-N 3.07Å; V34-G37 CarbonylContact O-C 3.57Å; V34-G37 PolarHBondContact O-N 3.09Å; V34-T38 WeakPolarHBondContact O-CG2 3.35Å; V34-T38 PolarHBondContact O-N 2.8Å; V34-T38 VanDerWaalsContact O-N 3.14Å |
| 35 | Y | 59.8 | Low | 69.4 | Low | 53 Ų | 53 | 78.7 Ų | 78.7 | 21% | 0.208 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.3 | -40.7 | 177.9 | -175.2 | -109.8 | 0 | 0 | 0 | 112.5 | V7 G31 L32 G37 T38 S40 F44 | V7-Y35 HydrophobicContact CG2-CE2 4.42Å; G31-Y35 WeakPolarHBondContact O-CB 3.34Å; G31-Y35 PolarHBondContact O-N 3.19Å; L32-Y35 PolarHBondContact O-N 3.46Å; Y35-G37 VanDerWaalsContact C-N 3.31Å; Y35-T38 PolarHBondContact O-N 3.02Å; Y35-T38 PolarHBondContact O-OG1 3.48Å; Y35-S40 VanDerWaalsContact CE2-CB 3.44Å; Y35-S40 VanDerWaalsContact CE2-OG 3.28Å; Y35-S40 WeakPolarHBondContact CE2-OG 3.47Å; Y35-F44 HydrophobicContact CD1-CE2 4.31Å; Y35-F44 HydrophobicContact CE1-CD2 4.19Å; Y35-F44 AromaticContact CE1-CE2 3.22Å; Y35-F44 HydrophobicContact CE1-CE2 3.22Å; Y35-F44 AromaticContact CE1-CZ 3.7Å; Y35-F44 HydrophobicContact CE1-CZ 3.7Å; Y35-F44 AromaticContact CZ-CE2 3.64Å; Y35-F44 VanDerWaalsContact OH-CE2 3.31Å; Y35-F44 WeakPolarHBondContact OH-CE2 3.19Å |
| 36 | L | 58.7 | Low | 70.4 | Confident | 68 Ų | 68 | 75.5 Ų | 75.5 | 36% | 0.356 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.4 | -31.5 | 170.2 | -68.7 | 172.5 | 0 | 0 | 0 | 111.7 | L32 T38 W41 | L32-L36 HydrophobicContact CD1-CD1 4.42Å; L32-L36 HydrophobicContact CD1-CG 4.37Å; L32-L36 HydrophobicContact CD2-CD1 4.35Å; L32-L36 HydrophobicContact CG-CD1 3.79Å; L32-L36 HydrophobicContact CG-CG 4.17Å; L32-L36 WeakPolarHBondContact O-CB 3.23Å; L32-L36 WeakPolarHBondContact O-CG 3.26Å; L32-L36 PolarHBondContact O-N 2.87Å; L36-T38 VanDerWaalsContact C-N 3.27Å; L36-T38 PolarHBondContact O-N 3.41Å; L36-W41 HydrophobicContact CD2-CD2 4.33Å; L36-W41 HydrophobicContact CD2-CE3 3.33Å; L36-W41 HydrophobicContact CD2-CZ3 3.74Å; L36-W41 WeakPolarHBondContact O-CB 3.49Å |
| 37 | G | 57 | Low | 71.3 | Confident | 69 Ų | 69 | 67.8 Ų | 67.8 | 71% | 0.711 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -8.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | G33 V34 Y35 | G33-G37 PolarHBondContact O-N 3.33Å; V34-G37 CarbonylContact O-C 3.57Å; V34-G37 PolarHBondContact O-N 3.09Å; Y35-G37 VanDerWaalsContact C-N 3.31Å |
| 38 | T | 62.7 | Low | 72.4 | Confident | 50 Ų | 50 | 71.9 Ų | 71.9 | 31% | 0.307 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -98 | 174.1 | 177.5 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | V34 Y35 L36 S40 W41 | V34-T38 WeakPolarHBondContact O-CG2 3.35Å; V34-T38 PolarHBondContact O-N 2.8Å; V34-T38 VanDerWaalsContact O-N 3.14Å; Y35-T38 PolarHBondContact O-N 3.02Å; Y35-T38 PolarHBondContact O-OG1 3.48Å; L36-T38 VanDerWaalsContact C-N 3.27Å; L36-T38 PolarHBondContact O-N 3.41Å; T38-S40 PolarHBondContact O-N 2.83Å; T38-S40 WeakPolarHBondContact OG1-CB 3.3Å; T38-S40 PolarHBondContact OG1-N 2.74Å; T38-S40 PolarHBondContact OG1-OG 2.79Å; T38-W41 PolarHBondContact O-N 3.43Å |
| 39 | K | 55.3 | Low | 73.6 | Confident | 189 Ų | 189 | 75.2 Ų | 75.2 | 82% | 0.822 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -10.3 | 171.4 | -72.7 | -173.3 | 178.1 | -179.1 | 0 | 114 | K42 | K39-K42 WeakPolarHBondContact O-CB 3.49Å; K39-K42 PolarHBondContact O-N 3.2Å |
| 40 | S | 63.8 | Low | 74.8 | Confident | 7 Ų | 7 | 72.9 Ų | 72.9 | 5% | 0.049 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.8 | -33.9 | 175.6 | -48.9 | 0 | 0 | 0 | 0 | 113.1 | S6 Y35 T38 K42 Y43 F44 | S6-S40 PolarHBondContact OG-OG 2.83Å; Y35-S40 VanDerWaalsContact CE2-CB 3.44Å; Y35-S40 VanDerWaalsContact CE2-OG 3.28Å; Y35-S40 WeakPolarHBondContact CE2-OG 3.47Å; T38-S40 PolarHBondContact O-N 2.83Å; T38-S40 WeakPolarHBondContact OG1-CB 3.3Å; T38-S40 PolarHBondContact OG1-N 2.74Å; T38-S40 PolarHBondContact OG1-OG 2.79Å; S40-K42 VanDerWaalsContact C-N 3.25Å; S40-K42 PolarHBondContact O-N 3.39Å; S40-Y43 WeakPolarHBondContact O-CB 3.45Å; S40-Y43 PolarHBondContact O-N 2.96Å; S40-F44 VanDerWaalsContact O-CD2 3.24Å; S40-F44 WeakPolarHBondContact O-CD2 3.29Å; S40-F44 PolarHBondContact O-N 3.41Å |
| 41 | W | 77.5 | Confident | 76.1 | Confident | 140 Ų | 140 | 72.7 Ų | 72.7 | 53% | 0.53 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.8 | -39.1 | 174.3 | 168.2 | -112 | 0 | 0 | 0 | 112.6 | L36 T38 Y43 F44 Y45 | L36-W41 HydrophobicContact CD2-CD2 4.33Å; L36-W41 HydrophobicContact CD2-CE3 3.33Å; L36-W41 HydrophobicContact CD2-CZ3 3.74Å; L36-W41 WeakPolarHBondContact O-CB 3.49Å; T38-W41 PolarHBondContact O-N 3.43Å; W41-Y43 VanDerWaalsContact C-N 3.25Å; W41-Y43 PolarHBondContact O-N 3.01Å; W41-F44 PolarHBondContact O-N 3.02Å; W41-Y45 WeakPolarHBondContact O-CB 3.41Å; W41-Y45 PolarHBondContact O-N 3.38Å |
| 42 | K | 81.9 | Confident | 77.5 | Confident | 117 Ų | 117 | 81 Ų | 81 | 51% | 0.509 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.2 | -38.4 | 176.3 | -66.6 | -170.1 | 175 | -166.6 | 0 | 111.8 | K39 S40 Y45 I46 | K39-K42 WeakPolarHBondContact O-CB 3.49Å; K39-K42 PolarHBondContact O-N 3.2Å; S40-K42 VanDerWaalsContact C-N 3.25Å; S40-K42 PolarHBondContact O-N 3.39Å; K42-Y45 PolarHBondContact O-N 3.45Å; K42-I46 WeakPolarHBondContact O-CB 3.44Å; K42-I46 WeakPolarHBondContact O-CD1 3.3Å; K42-I46 WeakPolarHBondContact O-CG1 3.44Å; K42-I46 PolarHBondContact O-N 3.2Å |
| 43 | Y | 84.3 | Confident | 78.9 | Confident | 98 Ų | 98 | 76.9 Ų | 76.9 | 38% | 0.384 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 177 | 179.8 | -91.8 | 0 | 0 | 0 | 111.7 | S40 W41 I46 A47 I414 | S40-Y43 WeakPolarHBondContact O-CB 3.45Å; S40-Y43 PolarHBondContact O-N 2.96Å; W41-Y43 VanDerWaalsContact C-N 3.25Å; W41-Y43 PolarHBondContact O-N 3.01Å; Y43-I46 PolarHBondContact O-N 2.99Å; Y43-A47 VanDerWaalsContact O-CB 3.25Å; Y43-A47 WeakPolarHBondContact O-CB 3.21Å; Y43-A47 PolarHBondContact O-N 2.87Å; Y43-I414 HydrophobicContact CD2-CG2 4.49Å; Y43-I414 HydrophobicContact CE2-CB 4.27Å; Y43-I414 HydrophobicContact CE2-CG2 3.83Å |
| 44 | F | 86.1 | Confident | 80.4 | Confident | 94 Ų | 94 | 75.1 Ų | 75.1 | 41% | 0.412 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.4 | -40 | 176.9 | -70 | -83.1 | 0 | 0 | 0 | 112.3 | Y35 S40 W41 A47 A48 | Y35-F44 HydrophobicContact CD1-CE2 4.31Å; Y35-F44 HydrophobicContact CE1-CD2 4.19Å; Y35-F44 AromaticContact CE1-CE2 3.22Å; Y35-F44 HydrophobicContact CE1-CE2 3.22Å; Y35-F44 AromaticContact CE1-CZ 3.7Å; Y35-F44 HydrophobicContact CE1-CZ 3.7Å; Y35-F44 AromaticContact CZ-CE2 3.64Å; Y35-F44 VanDerWaalsContact OH-CE2 3.31Å; Y35-F44 WeakPolarHBondContact OH-CE2 3.19Å; S40-F44 VanDerWaalsContact O-CD2 3.24Å; S40-F44 WeakPolarHBondContact O-CD2 3.29Å; S40-F44 PolarHBondContact O-N 3.41Å; W41-F44 PolarHBondContact O-N 3.02Å; F44-A47 PolarHBondContact O-N 2.89Å; F44-A48 VanDerWaalsContact O-CB 3.26Å; F44-A48 WeakPolarHBondContact O-CB 3.47Å; F44-A48 PolarHBondContact O-N 2.69Å |
| 45 | Y | 89.7 | Confident | 81.9 | Confident | 108 Ų | 108 | 76.7 Ų | 76.7 | 42% | 0.424 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.1 | -50.7 | 173.9 | 174.2 | -100 | 0 | 0 | 0 | 111.1 | W41 K42 A47 A48 R49 L501 | W41-Y45 WeakPolarHBondContact O-CB 3.41Å; W41-Y45 PolarHBondContact O-N 3.38Å; K42-Y45 PolarHBondContact O-N 3.45Å; Y45-A47 PolarHBondContact O-N 3.04Å; Y45-A48 PolarHBondContact O-N 3.17Å; Y45-R49 HydrophobicContact CD2-CG 4.21Å; Y45-R49 HydrophobicContact CE1-CG 4.18Å; Y45-R49 HydrophobicContact CE2-CG 3.84Å; Y45-R49 WeakPolarHBondContact O-CB 3.5Å; Y45-R49 WeakPolarHBondContact O-CG 3.31Å; Y45-R49 PolarHBondContact O-N 3.18Å; Y45-L501 HydrophobicContact CE1-CD2 4.18Å |
| 46 | I | 92.6 | Very high | 83.5 | Confident | 14 Ų | 14 | 75.8 Ų | 75.8 | 7% | 0.072 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.6 | -48.9 | 176.7 | -67.3 | 162.7 | 0 | 0 | 0 | 110 | K42 Y43 A48 R49 T50 R413 E500 L501 | K42-I46 WeakPolarHBondContact O-CB 3.44Å; K42-I46 WeakPolarHBondContact O-CD1 3.3Å; K42-I46 WeakPolarHBondContact O-CG1 3.44Å; K42-I46 PolarHBondContact O-N 3.2Å; Y43-I46 PolarHBondContact O-N 2.99Å; I46-A48 PolarHBondContact O-N 3.34Å; I46-R49 PolarHBondContact O-N 2.8Å; I46-R49 VanDerWaalsContact O-N 3.16Å; I46-T50 HydrophobicContact CG2-CG2 4.21Å; I46-T50 WeakPolarHBondContact O-CB 3.39Å; I46-T50 WeakPolarHBondContact O-CG2 3.49Å; I46-T50 PolarHBondContact O-N 3.21Å; I46-T50 PolarHBondContact O-OG1 3.25Å; I46-R413 HydrophobicContact CG2-CB 3.75Å; I46-R413 HydrophobicContact CG2-CG 4.23Å; I46-E500 WeakPolarHBondContact CD1-O 3.47Å; I46-L501 HydrophobicContact CG1-CD2 4.25Å |
| 47 | A | 92.4 | Very high | 85.2 | Confident | 20 Ų | 20 | 73.3 Ų | 73.3 | 17% | 0.165 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.1 | -47.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y43 F44 Y45 R49 T50 A51 I414 | Y43-A47 VanDerWaalsContact O-CB 3.25Å; Y43-A47 WeakPolarHBondContact O-CB 3.21Å; Y43-A47 PolarHBondContact O-N 2.87Å; F44-A47 PolarHBondContact O-N 2.89Å; Y45-A47 PolarHBondContact O-N 3.04Å; A47-R49 VanDerWaalsContact C-N 3.31Å; A47-R49 PolarHBondContact O-N 3.48Å; A47-T50 PolarHBondContact O-N 2.88Å; A47-A51 WeakPolarHBondContact O-CA 3.46Å; A47-A51 WeakPolarHBondContact O-CB 3.49Å; A47-A51 PolarHBondContact O-N 2.82Å; A47-I414 HydrophobicContact CB-CG2 3.76Å |
| 48 | A | 92.5 | Very high | 87 | Confident | 86 Ų | 86 | 72.2 Ų | 72.2 | 71% | 0.711 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.6 | -38.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | F44 Y45 I46 | F44-A48 VanDerWaalsContact O-CB 3.26Å; F44-A48 WeakPolarHBondContact O-CB 3.47Å; F44-A48 PolarHBondContact O-N 2.69Å; Y45-A48 PolarHBondContact O-N 3.17Å; I46-A48 PolarHBondContact O-N 3.34Å |
| 49 | R | 95.1 | Very high | 88.6 | Confident | 165 Ų | 165 | 75.6 Ų | 75.6 | 62% | 0.623 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -76.8 | -29.8 | 179.7 | -63.9 | -69.7 | -79.4 | -168.9 | -5.1 | 113 | Y45 I46 A47 L501 | Y45-R49 HydrophobicContact CD2-CG 4.21Å; Y45-R49 HydrophobicContact CE1-CG 4.18Å; Y45-R49 HydrophobicContact CE2-CG 3.84Å; Y45-R49 WeakPolarHBondContact O-CB 3.5Å; Y45-R49 WeakPolarHBondContact O-CG 3.31Å; Y45-R49 PolarHBondContact O-N 3.18Å; I46-R49 PolarHBondContact O-N 2.8Å; I46-R49 VanDerWaalsContact O-N 3.16Å; A47-R49 VanDerWaalsContact C-N 3.31Å; A47-R49 PolarHBondContact O-N 3.48Å; R49-L501 HydrophobicContact CB-CD2 4.16Å |
| 50 | T | 95.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -113.1 | -9.2 | -171.7 | 73.4 | 0 | 0 | 0 | 0 | 114.8 | I46 A47 K52 R53 D54 L501 | I46-T50 HydrophobicContact CG2-CG2 4.21Å; I46-T50 WeakPolarHBondContact O-CB 3.39Å; I46-T50 WeakPolarHBondContact O-CG2 3.49Å; I46-T50 PolarHBondContact O-N 3.21Å; I46-T50 PolarHBondContact O-OG1 3.25Å; A47-T50 PolarHBondContact O-N 2.88Å; T50-K52 VanDerWaalsContact C-N 3.32Å; T50-K52 PolarHBondContact O-N 3.32Å; T50-R53 WeakPolarHBondContact O-CB 3.23Å; T50-R53 PolarHBondContact O-N 3.41Å; T50-D54 WeakPolarHBondContact O-CB 3.45Å; T50-D54 PolarHBondContact O-N 2.99Å; T50-D54 PolarHBondContact OG1-OD2 3.45Å; T50-L501 HydrophobicContact CG2-CB 4.05Å; T50-L501 HydrophobicContact CG2-CD2 4.31Å |
| 51 | A | 93.9 | Very high | 92 | Very high | 33 Ų | 33 | 67.3 Ų | 67.3 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -53.2 | -45.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A47 R53 D54 L55 | A47-A51 WeakPolarHBondContact O-CA 3.46Å; A47-A51 WeakPolarHBondContact O-CB 3.49Å; A47-A51 PolarHBondContact O-N 2.82Å; A51-R53 PolarHBondContact O-N 3.5Å; A51-D54 PolarHBondContact O-N 3.01Å; A51-L55 WeakPolarHBondContact O-CB 3.47Å; A51-L55 WeakPolarHBondContact O-CG 3.49Å; A51-L55 PolarHBondContact O-N 3.23Å |
| 52 | K | 94.8 | Very high | 92.9 | Very high | 178 Ų | 178 | 64.7 Ų | 64.7 | 77% | 0.774 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -59.7 | -47.2 | 178.4 | -176.7 | 179.1 | 178.5 | -179.4 | 0 | 112 | T50 N56 | T50-K52 VanDerWaalsContact C-N 3.32Å; T50-K52 PolarHBondContact O-N 3.32Å; K52-N56 VanDerWaalsContact O-CB 3.32Å; K52-N56 WeakPolarHBondContact O-CB 3.36Å; K52-N56 PolarHBondContact O-N 3.32Å; K52-N56 VanDerWaalsContact O-N 3.08Å |
| 53 | R | 95.2 | Very high | 93.5 | Very high | 11 Ų | 11 | 64.6 Ų | 64.6 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 178.1 | -178.5 | -162 | 68.8 | -169 | -1.1 | 111 | T50 A51 N56 G57 D402 F410 L501 | T50-R53 WeakPolarHBondContact O-CB 3.23Å; T50-R53 PolarHBondContact O-N 3.41Å; A51-R53 PolarHBondContact O-N 3.5Å; R53-N56 PolarHBondContact O-N 3.5Å; R53-G57 PolarHBondContact O-N 3.24Å; R53-D402 VanDerWaalsContact CD-OD2 3.29Å; R53-D402 WeakPolarHBondContact CD-OD2 3.26Å; R53-D402 WeakPolarHBondContact CG-OD2 3.4Å; R53-F410 HydrophobicContact CG-CD1 4.2Å; R53-F410 HydrophobicContact CG-CE1 4.01Å; R53-F410 HydrophobicContact CG-CE2 4.32Å; R53-F410 HydrophobicContact CG-CG 4.47Å; R53-F410 HydrophobicContact CG-CZ 4.06Å; R53-F410 VanDerWaalsContact NE-CD2 3.28Å; R53-L501 PolarHBondContact NH1-O 2.85Å; R53-L501 PolarHBondContact NH2-O 2.99Å |
| 54 | D | 95.2 | Very high | 94.1 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.7 | -37.7 | -174.4 | -69.5 | -1.6 | 0 | 0 | 0 | 112 | T50 A51 G57 L58 F410 S412 I414 | T50-D54 WeakPolarHBondContact O-CB 3.45Å; T50-D54 PolarHBondContact O-N 2.99Å; T50-D54 PolarHBondContact OG1-OD2 3.45Å; A51-D54 PolarHBondContact O-N 3.01Å; D54-G57 PolarHBondContact O-N 3.44Å; D54-L58 WeakPolarHBondContact O-CB 3.38Å; D54-L58 PolarHBondContact O-N 3.1Å; D54-F410 WeakPolarHBondContact OD1-CD2 3.34Å; D54-F410 WeakPolarHBondContact OD1-CE2 3.4Å; D54-S412 VanDerWaalsContact CG-OG 3.24Å; D54-S412 WeakPolarHBondContact OD2-CB 3.49Å; D54-S412 PolarHBondContact OD2-OG 3.34Å; D54-I414 HydrophobicContact CB-CD1 4Å; D54-I414 HydrophobicContact CB-CG1 4.2Å; D54-I414 VanDerWaalsContact OD2-CG1 3.26Å; D54-I414 WeakPolarHBondContact OD2-CG1 3.24Å |
| 55 | L | 95 | Very high | 94.5 | Very high | 106 Ų | 106 | 60 Ų | 60 | 56% | 0.555 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -66.6 | -40.6 | 172 | -71.2 | 172.4 | 0 | 0 | 0 | 111.5 | A51 L58 Y59 | A51-L55 WeakPolarHBondContact O-CB 3.47Å; A51-L55 WeakPolarHBondContact O-CG 3.49Å; A51-L55 PolarHBondContact O-N 3.23Å; L55-L58 PolarHBondContact O-N 3.06Å; L55-Y59 WeakPolarHBondContact O-CB 3.24Å; L55-Y59 PolarHBondContact O-N 3.39Å |
| 56 | N | 94.4 | Very high | 94.8 | Very high | 34 Ų | 34 | 59.1 Ų | 59.1 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 173.5 | -171.7 | 39.7 | 0 | 0 | 0 | 111 | K52 R53 L58 Y59 V60 | K52-N56 VanDerWaalsContact O-CB 3.32Å; K52-N56 WeakPolarHBondContact O-CB 3.36Å; K52-N56 PolarHBondContact O-N 3.32Å; K52-N56 VanDerWaalsContact O-N 3.08Å; R53-N56 PolarHBondContact O-N 3.5Å; N56-L58 PolarHBondContact O-N 2.84Å; N56-Y59 WeakPolarHBondContact O-CB 3.44Å; N56-Y59 PolarHBondContact O-N 3.36Å; N56-V60 VanDerWaalsContact O-CG2 3.32Å; N56-V60 WeakPolarHBondContact O-CG2 3.18Å; N56-V60 PolarHBondContact O-N 3.27Å |
| 57 | G | 94.9 | Very high | 94.9 | Very high | 16 Ų | 16 | 59.1 Ų | 59.1 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R53 D54 V60 L61 | R53-G57 PolarHBondContact O-N 3.24Å; D54-G57 PolarHBondContact O-N 3.44Å; G57-V60 PolarHBondContact O-N 2.86Å; G57-L61 WeakPolarHBondContact O-CB 3.32Å; G57-L61 PolarHBondContact O-N 2.7Å |
| 58 | L | 95.1 | Very high | 95 | Very high | 45 Ų | 45 | 58.3 Ų | 58.3 | 24% | 0.236 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 174 | 179.2 | 65 | 0 | 0 | 0 | 111.3 | D54 L55 N56 L61 L62 L415 V418 | D54-L58 WeakPolarHBondContact O-CB 3.38Å; D54-L58 PolarHBondContact O-N 3.1Å; L55-L58 PolarHBondContact O-N 3.06Å; N56-L58 PolarHBondContact O-N 2.84Å; L58-L61 PolarHBondContact O-N 2.81Å; L58-L62 HydrophobicContact CD1-CD1 4Å; L58-L62 HydrophobicContact CD1-CG 4.02Å; L58-L62 HydrophobicContact CG-CD1 3.9Å; L58-L62 HydrophobicContact CG-CG 4.3Å; L58-L62 WeakPolarHBondContact O-CB 3.44Å; L58-L62 VanDerWaalsContact O-CG 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.37Å; L58-L62 PolarHBondContact O-N 3.13Å; L58-L415 HydrophobicContact CB-CD1 4.43Å; L58-L415 HydrophobicContact CD2-CD1 3.96Å; L58-V418 HydrophobicContact CD1-CG1 3.77Å; L58-V418 HydrophobicContact CD1-CG2 4.24Å |
| 59 | Y | 95.8 | Very high | 95.1 | Very high | 121 Ų | 121 | 61.2 Ų | 61.2 | 48% | 0.475 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.9 | -50.1 | 176.5 | 168.5 | -98.6 | 0 | 0 | 0 | 111.6 | L55 N56 L61 L62 R63 | L55-Y59 WeakPolarHBondContact O-CB 3.24Å; L55-Y59 PolarHBondContact O-N 3.39Å; N56-Y59 WeakPolarHBondContact O-CB 3.44Å; N56-Y59 PolarHBondContact O-N 3.36Å; Y59-L61 PolarHBondContact O-N 3.15Å; Y59-L62 PolarHBondContact O-N 3.44Å; Y59-R63 WeakPolarHBondContact O-CB 3.45Å; Y59-R63 PolarHBondContact O-N 3.24Å; Y59-R63 PolarHBondContact OH-NH1 3.12Å |
| 60 | V | 95.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58 | -50 | 177.3 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | N56 G57 L62 R63 V64 F274 F277 A278 M401 | N56-V60 VanDerWaalsContact O-CG2 3.32Å; N56-V60 WeakPolarHBondContact O-CG2 3.18Å; N56-V60 PolarHBondContact O-N 3.27Å; G57-V60 PolarHBondContact O-N 2.86Å; V60-L62 PolarHBondContact O-N 3.04Å; V60-R63 PolarHBondContact O-N 2.95Å; V60-V64 WeakPolarHBondContact O-CG2 3.47Å; V60-V64 PolarHBondContact O-N 3.28Å; V60-F274 HydrophobicContact CG1-CD1 3.65Å; V60-F274 HydrophobicContact CG1-CE1 3.98Å; V60-F277 HydrophobicContact CB-CB 4.47Å; V60-F277 HydrophobicContact CG1-CB 3.92Å; V60-F277 HydrophobicContact CG2-CB 4.05Å; V60-A278 HydrophobicContact CG1-CB 4.47Å; V60-M401 HydrophobicContact CG2-SD 4.44Å |
| 61 | L | 94.6 | Very high | 95.1 | Very high | 20 Ų | 20 | 62.6 Ų | 62.6 | 11% | 0.105 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.6 | -46.9 | -179.9 | -176.2 | 70.4 | 0 | 0 | 0 | 112.2 | G57 L58 Y59 K65 F274 V418 L462 | G57-L61 WeakPolarHBondContact O-CB 3.32Å; G57-L61 PolarHBondContact O-N 2.7Å; L58-L61 PolarHBondContact O-N 2.81Å; Y59-L61 PolarHBondContact O-N 3.15Å; L61-K65 VanDerWaalsContact O-CB 3.23Å; L61-K65 WeakPolarHBondContact O-CB 3.45Å; L61-K65 PolarHBondContact O-N 3.47Å; L61-F274 HydrophobicContact CD1-CE1 4.12Å; L61-F274 HydrophobicContact CD1-CZ 3.7Å; L61-V418 HydrophobicContact CD2-CG1 3.22Å; L61-L462 HydrophobicContact CD1-CD1 3.75Å; L61-L462 HydrophobicContact CG-CD1 4.43Å |
| 62 | L | 95.3 | Very high | 95.1 | Very high | 85 Ų | 85 | 64.3 Ų | 64.3 | 45% | 0.445 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 178.6 | -71.7 | 176.2 | 0 | 0 | 0 | 111.3 | L58 Y59 V60 K65 L66 | L58-L62 HydrophobicContact CD1-CD1 4Å; L58-L62 HydrophobicContact CD1-CG 4.02Å; L58-L62 HydrophobicContact CG-CD1 3.9Å; L58-L62 HydrophobicContact CG-CG 4.3Å; L58-L62 WeakPolarHBondContact O-CB 3.44Å; L58-L62 VanDerWaalsContact O-CG 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.37Å; L58-L62 PolarHBondContact O-N 3.13Å; Y59-L62 PolarHBondContact O-N 3.44Å; V60-L62 PolarHBondContact O-N 3.04Å; L62-K65 PolarHBondContact O-N 3Å; L62-L66 WeakPolarHBondContact O-CB 3.41Å; L62-L66 WeakPolarHBondContact O-CG 3.41Å; L62-L66 PolarHBondContact O-N 3.42Å |
| 63 | R | 96.1 | Very high | 95.1 | Very high | 114 Ų | 114 | 64.7 Ų | 64.7 | 43% | 0.43 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 178.1 | -170.4 | 171.8 | -173.8 | 174.6 | -4.8 | 111.6 | Y59 V60 L66 A67 F277 | Y59-R63 WeakPolarHBondContact O-CB 3.45Å; Y59-R63 PolarHBondContact O-N 3.24Å; Y59-R63 PolarHBondContact OH-NH1 3.12Å; V60-R63 PolarHBondContact O-N 2.95Å; R63-L66 PolarHBondContact O-N 3.29Å; R63-A67 WeakPolarHBondContact O-CB 3.45Å; R63-A67 PolarHBondContact O-N 2.88Å; R63-F277 HydrophobicContact CG-CE2 4.21Å; R63-F277 HydrophobicContact CG-CZ 4.26Å |
| 64 | V | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 176.6 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | V60 A67 L68 Y269 R270 A273 F274 F277 L462 | V60-V64 WeakPolarHBondContact O-CG2 3.47Å; V60-V64 PolarHBondContact O-N 3.28Å; V64-A67 PolarHBondContact O-N 3.13Å; V64-L68 HydrophobicContact CG1-CD1 4.02Å; V64-L68 WeakPolarHBondContact O-CB 3.45Å; V64-L68 PolarHBondContact O-N 3.47Å; V64-Y269 HydrophobicContact CG1-CE1 4.34Å; V64-R270 HydrophobicContact CG1-CG 4.43Å; V64-A273 HydrophobicContact CG1-CB 4.41Å; V64-A273 HydrophobicContact CG2-CB 3.96Å; V64-F274 HydrophobicContact CB-CE1 4.45Å; V64-F274 HydrophobicContact CG1-CE2 4.42Å; V64-F274 HydrophobicContact CG1-CZ 4.42Å; V64-F274 HydrophobicContact CG2-CD1 4.12Å; V64-F274 HydrophobicContact CG2-CE1 4.19Å; V64-F274 HydrophobicContact CG2-CG 4.49Å; V64-F277 HydrophobicContact CG2-CD2 3.92Å; V64-F277 HydrophobicContact CG2-CE2 4.45Å; V64-L462 HydrophobicContact CG1-CD2 4.07Å |
| 65 | K | 94.1 | Very high | 94.8 | Very high | 97 Ų | 97 | 71.9 Ų | 71.9 | 42% | 0.422 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.3 | -48 | 178.9 | -168.3 | 172.5 | 179.3 | 172.9 | 0 | 112.4 | L61 L62 L68 W69 L462 | L61-K65 VanDerWaalsContact O-CB 3.23Å; L61-K65 WeakPolarHBondContact O-CB 3.45Å; L61-K65 PolarHBondContact O-N 3.47Å; L62-K65 PolarHBondContact O-N 3Å; K65-L68 PolarHBondContact O-N 3.14Å; K65-W69 WeakPolarHBondContact O-CB 3.47Å; K65-W69 PolarHBondContact O-N 3.15Å; K65-L462 HydrophobicContact CB-CD1 3.73Å; K65-L462 HydrophobicContact CD-CD1 4.02Å; K65-L462 HydrophobicContact CG-CD1 3.82Å |
| 66 | L | 95.5 | Very high | 94.8 | Very high | 88 Ų | 88 | 67.5 Ų | 67.5 | 46% | 0.461 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | -179.6 | -72.6 | 170.6 | 0 | 0 | 0 | 111.2 | L62 R63 W69 R70 | L62-L66 WeakPolarHBondContact O-CB 3.41Å; L62-L66 WeakPolarHBondContact O-CG 3.41Å; L62-L66 PolarHBondContact O-N 3.42Å; R63-L66 PolarHBondContact O-N 3.29Å; L66-W69 PolarHBondContact O-N 3.37Å; L66-R70 WeakPolarHBondContact O-CG 3.44Å; L66-R70 PolarHBondContact O-N 3.49Å |
| 67 | A | 95.8 | Very high | 94.9 | Very high | 14 Ų | 14 | 66.7 Ų | 66.7 | 12% | 0.116 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.2 | -48.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R63 V64 W69 R70 Y71 Y269 | R63-A67 WeakPolarHBondContact O-CB 3.45Å; R63-A67 PolarHBondContact O-N 2.88Å; V64-A67 PolarHBondContact O-N 3.13Å; A67-W69 VanDerWaalsContact C-N 3.32Å; A67-W69 PolarHBondContact O-N 2.73Å; A67-R70 WeakPolarHBondContact O-CB 3.33Å; A67-R70 PolarHBondContact O-N 3.31Å; A67-R70 VanDerWaalsContact O-N 3.15Å; A67-Y71 HydrophobicContact CB-CD2 4.5Å; A67-Y71 HydrophobicContact CB-CE2 4.14Å; A67-Y71 WeakPolarHBondContact O-CD2 3.06Å; A67-Y71 PolarHBondContact O-N 3.15Å; A67-Y269 HydrophobicContact CB-CE1 4.08Å; A67-Y269 WeakPolarHBondContact CB-OH 3.38Å |
| 68 | L | 95.1 | Very high | 95 | Very high | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.2 | -45.4 | 174.5 | -82.6 | 170.6 | 0 | 0 | 0 | 112.1 | V64 K65 R70 Y71 M72 Y269 R270 P461 L462 | V64-L68 HydrophobicContact CG1-CD1 4.02Å; V64-L68 WeakPolarHBondContact O-CB 3.45Å; V64-L68 PolarHBondContact O-N 3.47Å; K65-L68 PolarHBondContact O-N 3.14Å; L68-R70 VanDerWaalsContact C-N 3.33Å; L68-R70 PolarHBondContact O-N 3.2Å; L68-Y71 PolarHBondContact O-N 3.24Å; L68-M72 WeakPolarHBondContact O-CB 3.2Å; L68-M72 VanDerWaalsContact O-CG 3.27Å; L68-M72 WeakPolarHBondContact O-CG 3.47Å; L68-M72 PolarHBondContact O-N 3.36Å; L68-Y269 HydrophobicContact CD1-CD1 4.3Å; L68-Y269 HydrophobicContact CD2-CD1 3.41Å; L68-Y269 VanDerWaalsContact CD2-CD1 3.41Å; L68-Y269 HydrophobicContact CD2-CE1 4.18Å; L68-Y269 HydrophobicContact CD2-CG 4.04Å; L68-Y269 HydrophobicContact CG-CD1 3.56Å; L68-Y269 HydrophobicContact CG-CE1 3.89Å; L68-R270 HydrophobicContact CD1-CB 4.3Å; L68-P461 HydrophobicContact CD1-CB 4.29Å; L68-L462 HydrophobicContact CD1-CD2 3.78Å; L68-L462 HydrophobicContact CD1-CG 4.45Å |
| 69 | W | 94.3 | Very high | 95.1 | Very high | 147 Ų | 147 | 64.9 Ų | 64.9 | 56% | 0.557 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -59.4 | -43.1 | 177.4 | 178.8 | 83.3 | 0 | 0 | 0 | 112.2 | K65 L66 A67 R73 | K65-W69 WeakPolarHBondContact O-CB 3.47Å; K65-W69 PolarHBondContact O-N 3.15Å; L66-W69 PolarHBondContact O-N 3.37Å; A67-W69 VanDerWaalsContact C-N 3.32Å; A67-W69 PolarHBondContact O-N 2.73Å; W69-R73 WeakPolarHBondContact O-CB 3.21Å; W69-R73 PolarHBondContact O-N 3.08Å |
| 70 | R | 95.8 | Very high | 95.1 | Very high | 148 Ų | 148 | 61.5 Ų | 61.5 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.6 | -47.8 | 175.5 | -70.4 | 173.9 | -167.6 | 160.5 | 1.7 | 111.7 | L66 A67 L68 M72 R73 N74 | L66-R70 WeakPolarHBondContact O-CG 3.44Å; L66-R70 PolarHBondContact O-N 3.49Å; A67-R70 WeakPolarHBondContact O-CB 3.33Å; A67-R70 PolarHBondContact O-N 3.31Å; A67-R70 VanDerWaalsContact O-N 3.15Å; L68-R70 VanDerWaalsContact C-N 3.33Å; L68-R70 PolarHBondContact O-N 3.2Å; R70-M72 PolarHBondContact O-N 3.18Å; R70-R73 PolarHBondContact O-N 3.23Å; R70-N74 WeakPolarHBondContact O-CB 3.43Å; R70-N74 VanDerWaalsContact O-CG 3.27Å; R70-N74 PolarHBondContact O-N 3.06Å |
| 71 | Y | 95.7 | Very high | 95.2 | Very high | 48 Ų | 48 | 61.5 Ų | 61.5 | 19% | 0.188 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 180 | -68.8 | -53.7 | 0 | 0 | 0 | 112.4 | A67 L68 N74 G75 S76 I81 M242 Y269 | A67-Y71 HydrophobicContact CB-CD2 4.5Å; A67-Y71 HydrophobicContact CB-CE2 4.14Å; A67-Y71 WeakPolarHBondContact O-CD2 3.06Å; A67-Y71 PolarHBondContact O-N 3.15Å; L68-Y71 PolarHBondContact O-N 3.24Å; Y71-N74 PolarHBondContact O-N 3.14Å; Y71-G75 PolarHBondContact O-N 3.13Å; Y71-S76 WeakPolarHBondContact O-CB 3.23Å; Y71-S76 PolarHBondContact O-N 3.17Å; Y71-I81 HydrophobicContact CD1-CD1 4.06Å; Y71-I81 HydrophobicContact CD1-CG1 4.03Å; Y71-I81 HydrophobicContact CD2-CD1 3.88Å; Y71-I81 HydrophobicContact CE1-CD1 3.87Å; Y71-I81 HydrophobicContact CE1-CG1 3.63Å; Y71-I81 HydrophobicContact CE2-CD1 3.69Å; Y71-I81 HydrophobicContact CE2-CG1 4.34Å; Y71-I81 HydrophobicContact CG-CD1 4.07Å; Y71-M242 VanDerWaalsContact CB-CE 3.49Å; Y71-M242 HydrophobicContact CD2-CE 4.03Å; Y71-M242 HydrophobicContact CG-CE 3.81Å; Y71-Y269 HydrophobicContact CD2-CD2 4.48Å; Y71-Y269 HydrophobicContact CD2-CE2 4.14Å; Y71-Y269 HydrophobicContact CE2-CD2 4.18Å; Y71-Y269 HydrophobicContact CE2-CE1 4.41Å; Y71-Y269 AromaticContact CE2-CE2 3.48Å; Y71-Y269 HydrophobicContact CE2-CE2 3.48Å; Y71-Y269 VanDerWaalsContact CE2-CE2 3.48Å; Y71-Y269 AromaticContact CE2-CZ 3.63Å |
| 72 | M | 93.1 | Very high | 95.4 | Very high | 69 Ų | 69 | 60.6 Ų | 60.6 | 34% | 0.34 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 174.9 | -72.6 | 179.9 | 76 | 0 | 0 | 112.1 | L68 R70 N74 G75 M242 N243 P461 | L68-M72 WeakPolarHBondContact O-CB 3.2Å; L68-M72 VanDerWaalsContact O-CG 3.27Å; L68-M72 WeakPolarHBondContact O-CG 3.47Å; L68-M72 PolarHBondContact O-N 3.36Å; R70-M72 PolarHBondContact O-N 3.18Å; M72-N74 PolarHBondContact O-N 3.25Å; M72-G75 PolarHBondContact O-N 3.11Å; M72-G75 VanDerWaalsContact O-N 3.14Å; M72-M242 HydrophobicContact CG-CB 3.7Å; M72-M242 HydrophobicContact CG-CG 4Å; M72-N243 WeakPolarHBondContact CE-ND2 3.46Å; M72-P461 HydrophobicContact CE-CG 3.97Å; M72-P461 HydrophobicContact SD-CB 4.37Å; M72-P461 HydrophobicContact SD-CG 3.22Å; M72-P461 WeakPolarHBondContact SD-CG 3.42Å |
| 73 | R | 93.6 | Very high | 95.5 | Very high | 185 Ų | 185 | 58.4 Ų | 58.4 | 70% | 0.698 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.9 | -34.8 | 178.1 | -173.8 | 178.9 | 179.4 | -175.4 | -0.4 | 112.2 | W69 R70 G75 | W69-R73 WeakPolarHBondContact O-CB 3.21Å; W69-R73 PolarHBondContact O-N 3.08Å; R70-R73 PolarHBondContact O-N 3.23Å; R73-G75 VanDerWaalsContact C-N 3.28Å; R73-G75 PolarHBondContact O-N 3.24Å |
| 74 | N | 93.6 | Very high | 95.6 | Very high | 115 Ų | 115 | 57.5 Ų | 57.5 | 62% | 0.615 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 4.9 | 179.3 | -66.1 | -4.6 | 0 | 0 | 0 | 113.4 | R70 Y71 M72 S76 | R70-N74 WeakPolarHBondContact O-CB 3.43Å; R70-N74 VanDerWaalsContact O-CG 3.27Å; R70-N74 PolarHBondContact O-N 3.06Å; Y71-N74 PolarHBondContact O-N 3.14Å; M72-N74 PolarHBondContact O-N 3.25Å; N74-S76 PolarHBondContact O-N 3.31Å; N74-S76 VanDerWaalsContact O-N 3.13Å |
| 75 | G | 91.9 | Very high | 95.7 | Very high | 52 Ų | 52 | 57.7 Ų | 57.7 | 54% | 0.536 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 22.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y71 M72 R73 | Y71-G75 PolarHBondContact O-N 3.13Å; M72-G75 PolarHBondContact O-N 3.11Å; M72-G75 VanDerWaalsContact O-N 3.14Å; R73-G75 VanDerWaalsContact C-N 3.28Å; R73-G75 PolarHBondContact O-N 3.24Å |
| 76 | S | 94.8 | Very high | 95.9 | Very high | 14 Ų | 14 | 53.9 Ų | 53.9 | 10% | 0.098 | 27% | 0.269 | C | S | . | . | trans | -77.6 | 162.7 | -178.3 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | Y71 N74 M242 | Y71-S76 WeakPolarHBondContact O-CB 3.23Å; Y71-S76 PolarHBondContact O-N 3.17Å; N74-S76 PolarHBondContact O-N 3.31Å; N74-S76 VanDerWaalsContact O-N 3.13Å; S76-M242 WeakPolarHBondContact O-CG 3.37Å; S76-M242 PolarHBondContact O-N 2.95Å | ||
| 77 | N | 96.3 | Very high | 96.1 | Very high | 17 Ų | 17 | 58 Ų | 58 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | trans | -140.6 | -174.1 | 172 | 63.4 | 36.9 | 0 | 0 | 0 | 109.7 | L79 C80 I81 K240 H265 | N77-L79 PolarHBondContact O-N 3.32Å; N77-L79 WeakPolarHBondContact OD1-CA 3.46Å; N77-L79 WeakPolarHBondContact OD1-CB 3.35Å; N77-L79 PolarHBondContact OD1-N 3.18Å; N77-C80 WeakPolarHBondContact O-CB 3.47Å; N77-C80 PolarHBondContact O-N 3.35Å; N77-C80 PolarHBondContact OD1-N 3.01Å; N77-C80 VanDerWaalsContact OD1-N 3.12Å; N77-C80 PolarHBondContact OD1-SG 2.87Å; N77-I81 WeakPolarHBondContact O-CG1 3.48Å; N77-I81 PolarHBondContact O-N 3.2Å; N77-K240 PolarHBondContact ND2-O 2.96Å; N77-H265 HydrophobicContact CB-CB 4.49Å | ||
| 78 | I | 97.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.9 | -33.1 | -179.7 | -64.7 | -55.6 | 0 | 0 | 0 | 112.6 | I81 F82 H265 Y268 I308 | I78-I81 HydrophobicContact CD1-CD1 4.4Å; I78-I81 PolarHBondContact O-N 2.99Å; I78-F82 WeakPolarHBondContact O-CB 3.18Å; I78-F82 PolarHBondContact O-N 3.08Å; I78-H265 WeakPolarHBondContact CB-ND1 3.34Å; I78-H265 WeakPolarHBondContact CD1-O 3.5Å; I78-H265 HydrophobicContact CG1-CB 4Å; I78-H265 WeakPolarHBondContact CG1-ND1 3.45Å; I78-H265 PolarHBondContact N-ND1 3.33Å; I78-Y268 HydrophobicContact CD1-CD1 3.65Å; I78-Y268 HydrophobicContact CD1-CG 4.34Å; I78-Y268 HydrophobicContact CG1-CD1 3.82Å; I78-Y268 HydrophobicContact CG1-CG 4.19Å; I78-Y268 HydrophobicContact CG2-CD1 4.1Å; I78-Y268 HydrophobicContact CG2-CE1 4.14Å; I78-I308 HydrophobicContact CD1-CD1 4.2Å |
| 79 | L | 96.8 | Very high | 96.3 | Very high | 22 Ų | 22 | 66.3 Ų | 66.3 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.9 | -39.3 | -179.3 | -53.7 | 158.3 | 0 | 0 | 0 | 111 | N77 I81 F82 A83 L146 A149 K150 | N77-L79 PolarHBondContact O-N 3.32Å; N77-L79 WeakPolarHBondContact OD1-CA 3.46Å; N77-L79 WeakPolarHBondContact OD1-CB 3.35Å; N77-L79 PolarHBondContact OD1-N 3.18Å; L79-I81 VanDerWaalsContact C-N 3.29Å; L79-I81 PolarHBondContact O-N 3.38Å; L79-F82 PolarHBondContact O-N 3.31Å; L79-A83 WeakPolarHBondContact O-CB 3.25Å; L79-A83 PolarHBondContact O-N 3.29Å; L79-L146 HydrophobicContact CD2-CD2 3.95Å; L79-A149 HydrophobicContact CD1-CB 4.16Å; L79-A149 WeakPolarHBondContact CD1-O 3.45Å; L79-A149 HydrophobicContact CD2-CB 4.08Å; L79-A149 HydrophobicContact CG-CB 4.47Å; L79-K150 HydrophobicContact CD1-CG 4.33Å; L79-K150 HydrophobicContact CD2-CG 3.78Å |
| 80 | C | 96.4 | Very high | 96.5 | Very high | 49 Ų | 49 | 61.5 Ų | 61.5 | 33% | 0.331 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 172.9 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | N77 Q84 | N77-C80 WeakPolarHBondContact O-CB 3.47Å; N77-C80 PolarHBondContact O-N 3.35Å; N77-C80 PolarHBondContact OD1-N 3.01Å; N77-C80 VanDerWaalsContact OD1-N 3.12Å; N77-C80 PolarHBondContact OD1-SG 2.87Å; C80-Q84 WeakPolarHBondContact O-CG 3.34Å; C80-Q84 PolarHBondContact O-N 2.84Å; C80-Q84 VanDerWaalsContact O-N 3.14Å |
| 81 | I | 98 | Very high | 96.6 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.015 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.8 | -43.8 | 178.5 | -62.9 | 172.5 | 0 | 0 | 0 | 110.5 | Y71 N77 I78 L79 Q84 T85 M242 Y269 I308 | Y71-I81 HydrophobicContact CD1-CD1 4.06Å; Y71-I81 HydrophobicContact CD1-CG1 4.03Å; Y71-I81 HydrophobicContact CD2-CD1 3.88Å; Y71-I81 HydrophobicContact CE1-CD1 3.87Å; Y71-I81 HydrophobicContact CE1-CG1 3.63Å; Y71-I81 HydrophobicContact CE2-CD1 3.69Å; Y71-I81 HydrophobicContact CE2-CG1 4.34Å; Y71-I81 HydrophobicContact CG-CD1 4.07Å; N77-I81 WeakPolarHBondContact O-CG1 3.48Å; N77-I81 PolarHBondContact O-N 3.2Å; I78-I81 HydrophobicContact CD1-CD1 4.4Å; I78-I81 PolarHBondContact O-N 2.99Å; L79-I81 VanDerWaalsContact C-N 3.29Å; L79-I81 PolarHBondContact O-N 3.38Å; I81-Q84 WeakPolarHBondContact O-CB 3.22Å; I81-Q84 PolarHBondContact O-N 2.84Å; I81-T85 PolarHBondContact O-N 3.47Å; I81-T85 PolarHBondContact O-OG1 2.78Å; I81-M242 HydrophobicContact CD1-CE 3.5Å; I81-Y269 HydrophobicContact CD1-CD2 3.64Å; I81-Y269 HydrophobicContact CD1-CE2 4.01Å; I81-I308 HydrophobicContact CG2-CB 4.32Å; I81-I308 HydrophobicContact CG2-CG1 4.24Å; I81-I308 HydrophobicContact CG2-CG2 4.09Å |
| 82 | F | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 61 Ų | 61 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 176.2 | 176.8 | -120.2 | 0 | 0 | 0 | 111.4 | I78 L79 Q84 T85 V86 F106 L109 D110 L146 L307 | I78-F82 WeakPolarHBondContact O-CB 3.18Å; I78-F82 PolarHBondContact O-N 3.08Å; L79-F82 PolarHBondContact O-N 3.31Å; F82-Q84 PolarHBondContact O-N 3.28Å; F82-T85 CarbonylContact O-C 3.59Å; F82-T85 WeakPolarHBondContact O-CA 3.4Å; F82-T85 WeakPolarHBondContact O-CB 3.37Å; F82-T85 PolarHBondContact O-N 3.06Å; F82-V86 HydrophobicContact CD1-CG2 4.21Å; F82-V86 HydrophobicContact CD2-CG2 4.05Å; F82-V86 HydrophobicContact CE1-CG2 3.79Å; F82-V86 HydrophobicContact CE2-CG2 3.63Å; F82-V86 HydrophobicContact CG-CG2 4.33Å; F82-V86 HydrophobicContact CZ-CG2 3.48Å; F82-V86 VanDerWaalsContact CZ-CG2 3.48Å; F82-V86 VanDerWaalsContact O-CG2 3.32Å; F82-V86 WeakPolarHBondContact O-CG2 3.44Å; F82-V86 PolarHBondContact O-N 2.78Å; F82-F106 AromaticContact CE2-CD1 3.87Å; F82-F106 HydrophobicContact CE2-CD1 3.87Å; F82-F106 HydrophobicContact CE2-CE1 4.29Å; F82-L109 HydrophobicContact CE2-CD2 4.09Å; F82-L109 HydrophobicContact CZ-CB 4.3Å; F82-L109 HydrophobicContact CZ-CD2 3.86Å; F82-L109 HydrophobicContact CZ-CG 3.87Å; F82-D110 HydrophobicContact CE1-CB 3.99Å; F82-D110 WeakPolarHBondContact CE1-OD1 3.21Å; F82-D110 HydrophobicContact CZ-CB 4.33Å; F82-L146 HydrophobicContact CD1-CD1 4.46Å; F82-L146 HydrophobicContact CE1-CD1 4.24Å; F82-L307 WeakPolarHBondContact CA-O 3.43Å; F82-L307 HydrophobicContact CD2-CB 4.08Å; F82-L307 HydrophobicContact CD2-CD2 3.53Å; F82-L307 HydrophobicContact CD2-CG 4.38Å; F82-L307 HydrophobicContact CE2-CD2 3.47Å; F82-L307 VanDerWaalsContact CE2-CD2 3.47Å; F82-L307 HydrophobicContact CG-CD2 4.28Å; F82-L307 HydrophobicContact CZ-CD2 4.19Å |
| 83 | A | 97.8 | Very high | 97 | Very high | 40 Ų | 40 | 60 Ų | 60 | 33% | 0.331 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.5 | -34.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L79 K87 | L79-A83 WeakPolarHBondContact O-CB 3.25Å; L79-A83 PolarHBondContact O-N 3.29Å; A83-K87 WeakPolarHBondContact O-CG 3.43Å; A83-K87 PolarHBondContact O-N 2.88Å |
| 84 | Q | 97.9 | Very high | 97.3 | Very high | 94 Ų | 94 | 51.2 Ų | 51.2 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.9 | -41.5 | 171.6 | -72.4 | 173.9 | -0.2 | 0 | 0 | 111.8 | C80 I81 F82 K87 Q88 | C80-Q84 WeakPolarHBondContact O-CG 3.34Å; C80-Q84 PolarHBondContact O-N 2.84Å; C80-Q84 VanDerWaalsContact O-N 3.14Å; I81-Q84 WeakPolarHBondContact O-CB 3.22Å; I81-Q84 PolarHBondContact O-N 2.84Å; F82-Q84 PolarHBondContact O-N 3.28Å; Q84-K87 PolarHBondContact O-N 3.43Å; Q84-Q88 WeakPolarHBondContact O-CG 3.35Å; Q84-Q88 PolarHBondContact O-N 3.03Å; Q84-Q88 VanDerWaalsContact O-N 3.11Å |
| 85 | T | 98.3 | Very high | 97.5 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 176.9 | -55 | 0 | 0 | 0 | 0 | 111.4 | I81 F82 K87 Q88 H89 F106 L307 | I81-T85 PolarHBondContact O-N 3.47Å; I81-T85 PolarHBondContact O-OG1 2.78Å; F82-T85 CarbonylContact O-C 3.59Å; F82-T85 WeakPolarHBondContact O-CA 3.4Å; F82-T85 WeakPolarHBondContact O-CB 3.37Å; F82-T85 PolarHBondContact O-N 3.06Å; T85-K87 VanDerWaalsContact C-N 3.33Å; T85-K87 PolarHBondContact O-N 2.81Å; T85-Q88 PolarHBondContact O-N 3.21Å; T85-Q88 VanDerWaalsContact O-N 3.11Å; T85-H89 PolarHBondContact O-N 3.46Å; T85-F106 HydrophobicContact CG2-CD1 4Å; T85-F106 HydrophobicContact CG2-CE1 3.58Å; T85-F106 HydrophobicContact CG2-CZ 4.23Å; T85-L307 PolarHBondContact OG1-O 3.03Å |
| 86 | V | 98.6 | Very high | 97.8 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 10% | 0.097 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.2 | -44.1 | 174.8 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | F82 Q88 H89 P90 F106 D110 | F82-V86 HydrophobicContact CD1-CG2 4.21Å; F82-V86 HydrophobicContact CD2-CG2 4.05Å; F82-V86 HydrophobicContact CE1-CG2 3.79Å; F82-V86 HydrophobicContact CE2-CG2 3.63Å; F82-V86 HydrophobicContact CG-CG2 4.33Å; F82-V86 HydrophobicContact CZ-CG2 3.48Å; F82-V86 VanDerWaalsContact CZ-CG2 3.48Å; F82-V86 VanDerWaalsContact O-CG2 3.32Å; F82-V86 WeakPolarHBondContact O-CG2 3.44Å; F82-V86 PolarHBondContact O-N 2.78Å; V86-Q88 VanDerWaalsContact C-N 3.27Å; V86-Q88 PolarHBondContact O-N 3.07Å; V86-H89 CarbonylContact O-C 3.48Å; V86-H89 PolarHBondContact O-N 3.08Å; V86-P90 VanDerWaalsContact O-CA 3.23Å; V86-P90 WeakPolarHBondContact O-CA 3.36Å; V86-P90 VanDerWaalsContact O-CD 3.31Å; V86-P90 WeakPolarHBondContact O-CD 3.31Å; V86-F106 HydrophobicContact CB-CB 4.46Å; V86-F106 HydrophobicContact CG2-CB 4.17Å; V86-F106 HydrophobicContact CG2-CD1 4.36Å; V86-D110 HydrophobicContact CG1-CB 4.24Å; V86-D110 HydrophobicContact CG2-CB 4.02Å |
| 87 | K | 98.3 | Very high | 98 | Very high | 176 Ų | 176 | 44.6 Ų | 44.6 | 77% | 0.765 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -62.9 | -32.5 | 176 | -72.7 | 176.7 | -178.5 | -174.7 | 0 | 113.2 | A83 Q84 T85 | A83-K87 WeakPolarHBondContact O-CG 3.43Å; A83-K87 PolarHBondContact O-N 2.88Å; Q84-K87 PolarHBondContact O-N 3.43Å; T85-K87 VanDerWaalsContact C-N 3.33Å; T85-K87 PolarHBondContact O-N 2.81Å |
| 88 | Q | 98.1 | Very high | 98 | Very high | 133 Ų | 133 | 45.2 Ų | 45.2 | 62% | 0.621 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -80.5 | -31.3 | 179.8 | -70.7 | 173.7 | 7.7 | 0 | 0 | 112.8 | Q84 T85 V86 | Q84-Q88 WeakPolarHBondContact O-CG 3.35Å; Q84-Q88 PolarHBondContact O-N 3.03Å; Q84-Q88 VanDerWaalsContact O-N 3.11Å; T85-Q88 PolarHBondContact O-N 3.21Å; T85-Q88 VanDerWaalsContact O-N 3.11Å; V86-Q88 VanDerWaalsContact C-N 3.27Å; V86-Q88 PolarHBondContact O-N 3.07Å |
| 89 | H | 97.4 | Very high | 97.9 | Very high | 57 Ų | 57 | 47.6 Ų | 47.6 | 26% | 0.264 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -133.5 | 45.7 | -171.6 | -59.8 | -54.1 | 0 | 0 | 0 | 113.9 | T85 V86 N91 K92 F106 | T85-H89 PolarHBondContact O-N 3.46Å; V86-H89 CarbonylContact O-C 3.48Å; V86-H89 PolarHBondContact O-N 3.08Å; H89-N91 VanDerWaalsContact C-N 3.34Å; H89-N91 PolarHBondContact O-N 3.08Å; H89-K92 HydrophobicContact CB-CB 3.96Å; H89-K92 HydrophobicContact CB-CD 4.33Å; H89-K92 PolarHBondContact O-N 3.29Å; H89-K92 VanDerWaalsContact O-N 3.1Å; H89-F106 HydrophobicContact CB-CD2 3.91Å; H89-F106 HydrophobicContact CB-CE2 4.21Å; H89-F106 HydrophobicContact CB-CG 4.39Å; H89-F106 WeakPolarHBondContact O-CB 3.49Å; H89-F106 VanDerWaalsContact O-CD2 3.24Å; H89-F106 WeakPolarHBondContact O-CD2 3.27Å |
| 90 | P | 98.1 | Very high | 97.9 | Very high | 46 Ų | 46 | 51 Ų | 51 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -44.5 | -165.7 | 22.2 | -33.8 | 0 | 0 | 0 | 113.3 | V86 T105 F106 T107 | V86-P90 VanDerWaalsContact O-CA 3.23Å; V86-P90 WeakPolarHBondContact O-CA 3.36Å; V86-P90 VanDerWaalsContact O-CD 3.31Å; V86-P90 WeakPolarHBondContact O-CD 3.31Å; P90-T105 WeakPolarHBondContact O-CB 3.49Å; P90-F106 PolarHBondContact O-N 2.99Å; P90-T107 WeakPolarHBondContact CA-OG1 3.32Å; P90-T107 VanDerWaalsContact CB-OG1 3.31Å; P90-T107 WeakPolarHBondContact CB-OG1 3.45Å; P90-T107 PolarHBondContact O-N 2.95Å; P90-T107 VanDerWaalsContact O-N 3.11Å; P90-T107 PolarHBondContact O-OG1 3.42Å; P90-T107 VanDerWaalsContact O-OG1 3.13Å |
| 91 | N | 98.4 | Very high | 97.8 | Very high | 135 Ų | 135 | 50.3 Ų | 50.3 | 72% | 0.722 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -1.5 | -175 | -58.5 | -28 | 0 | 0 | 0 | 113.5 | H89 T105 | H89-N91 VanDerWaalsContact C-N 3.34Å; H89-N91 PolarHBondContact O-N 3.08Å; N91-T105 WeakPolarHBondContact O-CG2 3.13Å |
| 92 | K | 98.4 | Very high | 97.8 | Very high | 51 Ų | 51 | 54.6 Ų | 54.6 | 22% | 0.222 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -73.2 | 140 | 179.7 | -173.6 | -177.9 | 176.9 | -175.8 | 0 | 109.2 | H89 A94 T105 F106 P283 G310 | H89-K92 HydrophobicContact CB-CB 3.96Å; H89-K92 HydrophobicContact CB-CD 4.33Å; H89-K92 PolarHBondContact O-N 3.29Å; H89-K92 VanDerWaalsContact O-N 3.1Å; K92-A94 PolarHBondContact O-N 2.97Å; K92-T105 VanDerWaalsContact O-CA 3.22Å; K92-T105 WeakPolarHBondContact O-CA 3.44Å; K92-F106 HydrophobicContact CB-CD2 4.01Å; K92-F106 HydrophobicContact CB-CE2 4.2Å; K92-F106 HydrophobicContact CD-CE2 4.24Å; K92-F106 HydrophobicContact CG-CE2 4.36Å; K92-F106 WeakPolarHBondContact O-CD2 3.41Å; K92-F106 PolarHBondContact O-N 3.14Å; K92-F106 VanDerWaalsContact O-N 3.15Å; K92-P283 PolarHBondContact NZ-O 2.85Å; K92-G310 WeakPolarHBondContact CE-O 3.14Å; K92-G310 PolarHBondContact NZ-O 3.48Å |
| 93 | P | 98.7 | Very high | 97.8 | Very high | 49 Ų | 49 | 57.4 Ų | 57.4 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.6 | 121.1 | 167.5 | -28.5 | 37.3 | 0 | 0 | 0 | 111.2 | T103 T312 | P93-T103 HydrophobicContact CB-CG2 3.72Å; P93-T103 HydrophobicContact CG-CG2 4.09Å; P93-T312 HydrophobicContact CB-CG2 3.86Å; P93-T312 WeakPolarHBondContact O-CB 3.28Å; P93-T312 WeakPolarHBondContact O-CG2 3.21Å; P93-T312 PolarHBondContact O-OG1 3.02Å |
| 94 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -61.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | K92 W104 F106 L109 T312 V313 | K92-A94 PolarHBondContact O-N 2.97Å; A94-W104 WeakPolarHBondContact CA-O 3.27Å; A94-W104 WeakPolarHBondContact CB-O 3.15Å; A94-W104 PolarHBondContact N-O 3.24Å; A94-F106 HydrophobicContact CB-CD1 4.12Å; A94-F106 HydrophobicContact CB-CD2 3.79Å; A94-F106 HydrophobicContact CB-CE1 4.14Å; A94-F106 HydrophobicContact CB-CE2 3.82Å; A94-F106 HydrophobicContact CB-CG 3.92Å; A94-F106 HydrophobicContact CB-CZ 3.97Å; A94-L109 HydrophobicContact CB-CD2 4.31Å; A94-T312 WeakPolarHBondContact O-CA 3.46Å; A94-V313 PolarHBondContact O-N 3.16Å |
| 95 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129.3 | -178.1 | -57.9 | 178.8 | 0 | 0 | 0 | 110.1 | W104 L109 P139 V142 V303 V313 V315 | L95-W104 PolarHBondContact N-O 3.22Å; L95-W104 VanDerWaalsContact N-O 3.09Å; L95-W104 PolarHBondContact O-N 3.48Å; L95-L109 HydrophobicContact CD1-CD1 4.01Å; L95-L109 HydrophobicContact CD1-CD2 3.89Å; L95-L109 HydrophobicContact CG-CD2 4.16Å; L95-P139 HydrophobicContact CB-CB 4.14Å; L95-P139 HydrophobicContact CB-CG 4.22Å; L95-P139 HydrophobicContact CD1-CB 3.98Å; L95-V142 HydrophobicContact CD1-CB 3.85Å; L95-V142 HydrophobicContact CD1-CG1 4.12Å; L95-V142 HydrophobicContact CD1-CG2 3.9Å; L95-V303 HydrophobicContact CD2-CG2 4.41Å; L95-V313 CarbonylContact C-O 3.45Å; L95-V313 WeakPolarHBondContact CA-O 3.37Å; L95-V313 HydrophobicContact CD2-CB 3.98Å; L95-V315 HydrophobicContact CD2-CG2 4.24Å |
| 96 | I | 98.8 | Very high | 97.9 | Very high | 18 Ų | 18 | 53.1 Ų | 53.1 | 9% | 0.092 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 122.2 | 172.7 | -58.2 | 170.9 | 0 | 0 | 0 | 107.4 | E102 T103 T312 V313 V314 V315 Y331 | I96-E102 CarbonylContact C-O 3.55Å; I96-E102 WeakPolarHBondContact CA-O 3.48Å; I96-T103 HydrophobicContact CG1-CG2 3.99Å; I96-T312 HydrophobicContact CD1-CG2 3.78Å; I96-T312 HydrophobicContact CG1-CG2 4.16Å; I96-V313 PolarHBondContact N-O 2.91Å; I96-V314 HydrophobicContact CB-CG2 4.25Å; I96-V314 HydrophobicContact CD1-CG2 4.19Å; I96-V314 CarbonylContact O-C 3.59Å; I96-V314 WeakPolarHBondContact O-CA 3.07Å; I96-V315 PolarHBondContact O-N 2.83Å; I96-Y331 HydrophobicContact CD1-CD1 4.47Å; I96-Y331 HydrophobicContact CG2-CD1 3.8Å; I96-Y331 HydrophobicContact CG2-CE1 3.59Å |
| 97 | Y | 98.3 | Very high | 97.9 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 9% | 0.094 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 112.8 | 174.8 | -167.5 | -156.4 | 0 | 0 | 0 | 109.9 | A99 T100 G101 E102 R138 P139 R317 | Y97-A99 VanDerWaalsContact C-N 3.27Å; Y97-A99 HydrophobicContact CD1-CB 4.36Å; Y97-A99 HydrophobicContact CD2-CB 4.3Å; Y97-A99 HydrophobicContact CE1-CB 3.9Å; Y97-A99 HydrophobicContact CE2-CB 3.84Å; Y97-A99 PolarHBondContact O-N 3.34Å; Y97-T100 HydrophobicContact CD1-CG2 3.84Å; Y97-T100 WeakPolarHBondContact CD1-OG1 3.38Å; Y97-T100 HydrophobicContact CE1-CG2 3.96Å; Y97-T100 PolarHBondContact O-N 2.86Å; Y97-G101 VanDerWaalsContact O-CA 3.3Å; Y97-G101 WeakPolarHBondContact O-CA 3.45Å; Y97-G101 PolarHBondContact O-N 3.38Å; Y97-E102 PolarHBondContact N-O 3.26Å; Y97-R138 HydrophobicContact CD2-CB 4.39Å; Y97-R138 HydrophobicContact CE1-CB 4.26Å; Y97-R138 HydrophobicContact CE2-CB 3.84Å; Y97-P139 HydrophobicContact CG-CG 4.24Å; Y97-R317 HydrophobicContact CE2-CB 3.97Å; Y97-R317 WeakPolarHBondContact OH-CD 3.19Å |
| 98 | E | 96.9 | Very high | 97.9 | Very high | 29 Ų | 29 | 49.7 Ų | 49.7 | 14% | 0.136 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -37.4 | -175.9 | 177.4 | -82.3 | 169 | 0 | 0 | 112.4 | T100 V314 V315 K316 Y331 | E98-T100 VanDerWaalsContact C-N 3.3Å; E98-T100 PolarHBondContact O-N 2.82Å; E98-V314 HydrophobicContact CB-CG1 4.15Å; E98-V315 PolarHBondContact N-O 3.39Å; E98-K316 HydrophobicContact CB-CD 3.97Å; E98-K316 VanDerWaalsContact CD-CD 3.48Å; E98-K316 HydrophobicContact CG-CD 3.7Å; E98-K316 IonicContact OE1-NZ 3.24Å; E98-K316 PolarHBondContact OE1-NZ 3.05Å; E98-K316 WeakPolarHBondContact OE2-CD 3.46Å; E98-K316 WeakPolarHBondContact OE2-CE 3.39Å; E98-K316 IonicContact OE2-NZ 3.43Å; E98-K316 PolarHBondContact OE2-NZ 3.04Å; E98-Y331 HydrophobicContact CB-CE2 4.27Å; E98-Y331 HydrophobicContact CG-CE2 3.82Å; E98-Y331 PolarHBondContact O-OH 3.42Å |
| 99 | A | 95.3 | Very high | 98 | Very high | 51 Ų | 51 | 43.4 Ų | 43.4 | 42% | 0.421 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -31 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y97 R317 | Y97-A99 VanDerWaalsContact C-N 3.27Å; Y97-A99 HydrophobicContact CD1-CB 4.36Å; Y97-A99 HydrophobicContact CD2-CB 4.3Å; Y97-A99 HydrophobicContact CE1-CB 3.9Å; Y97-A99 HydrophobicContact CE2-CB 3.84Å; Y97-A99 PolarHBondContact O-N 3.34Å; A99-R317 HydrophobicContact CB-CB 4.38Å |
| 100 | T | 95.8 | Very high | 98 | Very high | 94 Ų | 94 | 42 Ų | 42 | 58% | 0.577 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | -17.3 | -179.6 | 61.1 | 0 | 0 | 0 | 0 | 112.9 | Y97 E98 E102 | Y97-T100 HydrophobicContact CD1-CG2 3.84Å; Y97-T100 WeakPolarHBondContact CD1-OG1 3.38Å; Y97-T100 HydrophobicContact CE1-CG2 3.96Å; Y97-T100 PolarHBondContact O-N 2.86Å; E98-T100 VanDerWaalsContact C-N 3.3Å; E98-T100 PolarHBondContact O-N 2.82Å; T100-E102 PolarHBondContact O-N 3.38Å; T100-E102 WeakPolarHBondContact OG1-CB 3.32Å; T100-E102 PolarHBondContact OG1-N 2.94Å |
| 101 | G | 95.6 | Very high | 98.1 | Very high | 34 Ų | 34 | 43.6 Ų | 43.6 | 35% | 0.351 | 24% | 0.244 | S | C | . | . | trans | 76.1 | 0.7 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114 | Y97 T103 | Y97-G101 VanDerWaalsContact O-CA 3.3Å; Y97-G101 WeakPolarHBondContact O-CA 3.45Å; Y97-G101 PolarHBondContact O-N 3.38Å; G101-T103 PolarHBondContact O-N 2.87Å | ||
| 102 | E | 97.1 | Very high | 98.1 | Very high | 94 Ų | 94 | 38.5 Ų | 38.5 | 44% | 0.439 | 22% | 0.217 | S | C | . | . | trans | -60.4 | 136.5 | 178.8 | -173.5 | -178.4 | -169.8 | 0 | 0 | 110.7 | I96 Y97 T100 W104 | I96-E102 CarbonylContact C-O 3.55Å; I96-E102 WeakPolarHBondContact CA-O 3.48Å; Y97-E102 PolarHBondContact N-O 3.26Å; T100-E102 PolarHBondContact O-N 3.38Å; T100-E102 WeakPolarHBondContact OG1-CB 3.32Å; T100-E102 PolarHBondContact OG1-N 2.94Å; E102-W104 PolarHBondContact OE1-NE1 2.83Å | ||
| 103 | T | 98.5 | Very high | 98.1 | Very high | 60 Ų | 60 | 36.1 Ų | 36.1 | 37% | 0.368 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 122 | -179.8 | -62.5 | 0 | 0 | 0 | 0 | 109.6 | P93 I96 G101 | P93-T103 HydrophobicContact CB-CG2 3.72Å; P93-T103 HydrophobicContact CG-CG2 4.09Å; I96-T103 HydrophobicContact CG1-CG2 3.99Å; G101-T103 PolarHBondContact O-N 2.87Å |
| 104 | W | 98.6 | Very high | 98.1 | Very high | 22 Ų | 22 | 33.9 Ų | 33.9 | 8% | 0.083 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 125.4 | 170.9 | -66.2 | -2.8 | 0 | 0 | 0 | 109.5 | A94 L95 E102 Q108 L109 I112 P139 L140 A143 | A94-W104 WeakPolarHBondContact CA-O 3.27Å; A94-W104 WeakPolarHBondContact CB-O 3.15Å; A94-W104 PolarHBondContact N-O 3.24Å; L95-W104 PolarHBondContact N-O 3.22Å; L95-W104 VanDerWaalsContact N-O 3.09Å; L95-W104 PolarHBondContact O-N 3.48Å; E102-W104 PolarHBondContact OE1-NE1 2.83Å; W104-Q108 HydrophobicContact CB-CB 4.39Å; W104-L109 HydrophobicContact CE3-CD1 4.01Å; W104-L109 HydrophobicContact CZ3-CD1 4.25Å; W104-I112 HydrophobicContact CD2-CD1 3.69Å; W104-I112 HydrophobicContact CE3-CD1 3.82Å; W104-I112 HydrophobicContact CG-CD1 4.38Å; W104-I112 HydrophobicContact CH2-CD1 3.77Å; W104-I112 HydrophobicContact CH2-CG2 4.12Å; W104-I112 HydrophobicContact CZ2-CD1 3.63Å; W104-I112 HydrophobicContact CZ3-CD1 3.86Å; W104-I112 HydrophobicContact CZ3-CG2 4.25Å; W104-P139 HydrophobicContact CD2-CB 3.91Å; W104-P139 HydrophobicContact CE3-CB 3.5Å; W104-P139 HydrophobicContact CH2-CB 3.86Å; W104-P139 HydrophobicContact CZ2-CB 4.21Å; W104-P139 VanDerWaalsContact CZ3-C 3.48Å; W104-P139 HydrophobicContact CZ3-CB 3.49Å; W104-P139 VanDerWaalsContact CZ3-CB 3.49Å; W104-L140 HydrophobicContact CH2-CB 4.11Å; W104-L140 HydrophobicContact CH2-CD1 4.46Å; W104-A143 HydrophobicContact CZ3-CB 4.02Å |
| 105 | T | 98.9 | Very high | 98.1 | Very high | 27 Ų | 27 | 33.9 Ų | 33.9 | 17% | 0.166 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 168.4 | 167 | 60.6 | 0 | 0 | 0 | 0 | 111.3 | P90 N91 K92 T107 Q108 L109 | P90-T105 WeakPolarHBondContact O-CB 3.49Å; N91-T105 WeakPolarHBondContact O-CG2 3.13Å; K92-T105 VanDerWaalsContact O-CA 3.22Å; K92-T105 WeakPolarHBondContact O-CA 3.44Å; T105-T107 VanDerWaalsContact C-N 3.3Å; T105-T107 PolarHBondContact O-N 3.35Å; T105-Q108 PolarHBondContact O-N 2.91Å; T105-Q108 WeakPolarHBondContact OG1-CG 3.08Å; T105-Q108 PolarHBondContact OG1-N 3.49Å; T105-Q108 PolarHBondContact OG1-OE1 3.06Å; T105-L109 PolarHBondContact O-N 3.08Å |
| 106 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.6 | -42.6 | 174.1 | -81.4 | -87.8 | 0 | 0 | 0 | 112.5 | F82 T85 V86 H89 P90 K92 A94 L109 D110 C306 G310 | F82-F106 AromaticContact CE2-CD1 3.87Å; F82-F106 HydrophobicContact CE2-CD1 3.87Å; F82-F106 HydrophobicContact CE2-CE1 4.29Å; T85-F106 HydrophobicContact CG2-CD1 4Å; T85-F106 HydrophobicContact CG2-CE1 3.58Å; T85-F106 HydrophobicContact CG2-CZ 4.23Å; V86-F106 HydrophobicContact CB-CB 4.46Å; V86-F106 HydrophobicContact CG2-CB 4.17Å; V86-F106 HydrophobicContact CG2-CD1 4.36Å; H89-F106 HydrophobicContact CB-CD2 3.91Å; H89-F106 HydrophobicContact CB-CE2 4.21Å; H89-F106 HydrophobicContact CB-CG 4.39Å; H89-F106 WeakPolarHBondContact O-CB 3.49Å; H89-F106 VanDerWaalsContact O-CD2 3.24Å; H89-F106 WeakPolarHBondContact O-CD2 3.27Å; P90-F106 PolarHBondContact O-N 2.99Å; K92-F106 HydrophobicContact CB-CD2 4.01Å; K92-F106 HydrophobicContact CB-CE2 4.2Å; K92-F106 HydrophobicContact CD-CE2 4.24Å; K92-F106 HydrophobicContact CG-CE2 4.36Å; K92-F106 WeakPolarHBondContact O-CD2 3.41Å; K92-F106 PolarHBondContact O-N 3.14Å; K92-F106 VanDerWaalsContact O-N 3.15Å; A94-F106 HydrophobicContact CB-CD1 4.12Å; A94-F106 HydrophobicContact CB-CD2 3.79Å; A94-F106 HydrophobicContact CB-CE1 4.14Å; A94-F106 HydrophobicContact CB-CE2 3.82Å; A94-F106 HydrophobicContact CB-CG 3.92Å; A94-F106 HydrophobicContact CB-CZ 3.97Å; F106-L109 PolarHBondContact O-N 3.44Å; F106-D110 PolarHBondContact O-N 3.45Å; F106-C306 VanDerWaalsContact CE1-O 3.24Å; F106-C306 WeakPolarHBondContact CE1-O 3.27Å; F106-C306 WeakPolarHBondContact CZ-O 3.25Å; F106-G310 VanDerWaalsContact CZ-CA 3.48Å |
| 107 | T | 98.8 | Very high | 98.1 | Very high | 41 Ų | 41 | 33 Ų | 33 | 25% | 0.252 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.8 | -47.8 | 176.2 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | P90 T105 L109 D110 E111 | P90-T107 WeakPolarHBondContact CA-OG1 3.32Å; P90-T107 VanDerWaalsContact CB-OG1 3.31Å; P90-T107 WeakPolarHBondContact CB-OG1 3.45Å; P90-T107 PolarHBondContact O-N 2.95Å; P90-T107 VanDerWaalsContact O-N 3.11Å; P90-T107 PolarHBondContact O-OG1 3.42Å; P90-T107 VanDerWaalsContact O-OG1 3.13Å; T105-T107 VanDerWaalsContact C-N 3.3Å; T105-T107 PolarHBondContact O-N 3.35Å; T107-L109 VanDerWaalsContact C-N 3.35Å; T107-L109 PolarHBondContact O-N 3.29Å; T107-D110 WeakPolarHBondContact O-CB 3.47Å; T107-D110 PolarHBondContact O-N 3.16Å; T107-D110 VanDerWaalsContact O-N 3.1Å; T107-E111 HydrophobicContact CG2-CG 4.3Å; T107-E111 WeakPolarHBondContact O-CG 3.32Å; T107-E111 PolarHBondContact O-N 3.43Å |
| 108 | Q | 98.7 | Very high | 98.1 | Very high | 79 Ų | 79 | 34.5 Ų | 34.5 | 37% | 0.369 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.6 | -40.7 | 179.6 | -73.2 | 165.9 | -44.5 | 0 | 0 | 112.1 | W104 T105 D110 E111 I112 | W104-Q108 HydrophobicContact CB-CB 4.39Å; T105-Q108 PolarHBondContact O-N 2.91Å; T105-Q108 WeakPolarHBondContact OG1-CG 3.08Å; T105-Q108 PolarHBondContact OG1-N 3.49Å; T105-Q108 PolarHBondContact OG1-OE1 3.06Å; Q108-D110 VanDerWaalsContact C-N 3.31Å; Q108-D110 PolarHBondContact O-N 3.04Å; Q108-E111 PolarHBondContact O-N 3.03Å; Q108-I112 WeakPolarHBondContact O-CB 3.48Å; Q108-I112 WeakPolarHBondContact O-CD1 3.44Å; Q108-I112 WeakPolarHBondContact O-CG1 3.49Å; Q108-I112 PolarHBondContact O-N 3.21Å |
| 109 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.5 | -39 | 174.4 | 177.2 | 59.5 | 0 | 0 | 0 | 111.8 | F82 A94 L95 W104 T105 F106 T107 S113 V142 A143 L146 L307 | F82-L109 HydrophobicContact CE2-CD2 4.09Å; F82-L109 HydrophobicContact CZ-CB 4.3Å; F82-L109 HydrophobicContact CZ-CD2 3.86Å; F82-L109 HydrophobicContact CZ-CG 3.87Å; A94-L109 HydrophobicContact CB-CD2 4.31Å; L95-L109 HydrophobicContact CD1-CD1 4.01Å; L95-L109 HydrophobicContact CD1-CD2 3.89Å; L95-L109 HydrophobicContact CG-CD2 4.16Å; W104-L109 HydrophobicContact CE3-CD1 4.01Å; W104-L109 HydrophobicContact CZ3-CD1 4.25Å; T105-L109 PolarHBondContact O-N 3.08Å; F106-L109 PolarHBondContact O-N 3.44Å; T107-L109 VanDerWaalsContact C-N 3.35Å; T107-L109 PolarHBondContact O-N 3.29Å; L109-S113 WeakPolarHBondContact O-CB 3.21Å; L109-S113 PolarHBondContact O-N 3.32Å; L109-S113 PolarHBondContact O-OG 3.47Å; L109-V142 HydrophobicContact CD1-CG1 4.41Å; L109-A143 HydrophobicContact CD1-CB 4.01Å; L109-L146 HydrophobicContact CD1-CD1 4.39Å; L109-L146 HydrophobicContact CD2-CD1 4.44Å; L109-L146 HydrophobicContact CG-CD1 4.38Å; L109-L307 HydrophobicContact CD2-CD2 3.81Å |
| 110 | D | 98.8 | Very high | 98.2 | Very high | 27 Ų | 27 | 31 Ų | 31 | 14% | 0.144 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.2 | -45.3 | 175.6 | -167.2 | 62.1 | 0 | 0 | 0 | 112.2 | F82 V86 F106 T107 Q108 I112 S113 N114 K150 | F82-D110 HydrophobicContact CE1-CB 3.99Å; F82-D110 WeakPolarHBondContact CE1-OD1 3.21Å; F82-D110 HydrophobicContact CZ-CB 4.33Å; V86-D110 HydrophobicContact CG1-CB 4.24Å; V86-D110 HydrophobicContact CG2-CB 4.02Å; F106-D110 PolarHBondContact O-N 3.45Å; T107-D110 WeakPolarHBondContact O-CB 3.47Å; T107-D110 PolarHBondContact O-N 3.16Å; T107-D110 VanDerWaalsContact O-N 3.1Å; Q108-D110 VanDerWaalsContact C-N 3.31Å; Q108-D110 PolarHBondContact O-N 3.04Å; D110-I112 PolarHBondContact O-N 3.18Å; D110-S113 WeakPolarHBondContact CA-OG 3.31Å; D110-S113 PolarHBondContact O-N 3.2Å; D110-S113 PolarHBondContact O-OG 3.35Å; D110-N114 WeakPolarHBondContact O-CB 3.26Å; D110-N114 PolarHBondContact O-N 2.93Å; D110-N114 PolarHBondContact O-ND2 3.22Å; D110-N114 PolarHBondContact OD2-ND2 3.36Å; D110-N114 VanDerWaalsContact OD2-ND2 3.17Å; D110-K150 PolarHBondContact O-NZ 2.89Å; D110-K150 VanDerWaalsContact O-NZ 3.17Å; D110-K150 IonicContact OD1-NZ 2.65Å; D110-K150 PolarHBondContact OD1-NZ 3.3Å; D110-K150 IonicContact OD2-NZ 2.91Å |
| 111 | E | 98.7 | Very high | 98.2 | Very high | 81 Ų | 81 | 30.7 Ų | 30.7 | 38% | 0.379 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 177 | -74.3 | 176.3 | 167.3 | 0 | 0 | 112.4 | T107 Q108 N114 A115 R230 | T107-E111 HydrophobicContact CG2-CG 4.3Å; T107-E111 WeakPolarHBondContact O-CG 3.32Å; T107-E111 PolarHBondContact O-N 3.43Å; Q108-E111 PolarHBondContact O-N 3.03Å; E111-N114 WeakPolarHBondContact O-CB 3.48Å; E111-N114 PolarHBondContact O-N 3.39Å; E111-A115 PolarHBondContact O-N 3.45Å; E111-R230 HydrophobicContact CB-CB 4.01Å; E111-R230 HydrophobicContact CB-CG 4.41Å; E111-R230 HydrophobicContact CG-CB 4.18Å; E111-R230 WeakPolarHBondContact O-CD 3.36Å |
| 112 | I | 98.6 | Very high | 98.2 | Very high | 28 Ų | 28 | 32.2 Ų | 32.2 | 14% | 0.144 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.7 | -42.2 | 176.8 | -62.5 | 163.5 | 0 | 0 | 0 | 111 | W104 Q108 D110 N114 A115 V116 L140 A143 | W104-I112 HydrophobicContact CD2-CD1 3.69Å; W104-I112 HydrophobicContact CE3-CD1 3.82Å; W104-I112 HydrophobicContact CG-CD1 4.38Å; W104-I112 HydrophobicContact CH2-CD1 3.77Å; W104-I112 HydrophobicContact CH2-CG2 4.12Å; W104-I112 HydrophobicContact CZ2-CD1 3.63Å; W104-I112 HydrophobicContact CZ3-CD1 3.86Å; W104-I112 HydrophobicContact CZ3-CG2 4.25Å; Q108-I112 WeakPolarHBondContact O-CB 3.48Å; Q108-I112 WeakPolarHBondContact O-CD1 3.44Å; Q108-I112 WeakPolarHBondContact O-CG1 3.49Å; Q108-I112 PolarHBondContact O-N 3.21Å; D110-I112 PolarHBondContact O-N 3.18Å; I112-N114 VanDerWaalsContact C-N 3.28Å; I112-N114 PolarHBondContact O-N 2.87Å; I112-A115 WeakPolarHBondContact O-CB 3.15Å; I112-A115 PolarHBondContact O-N 3.48Å; I112-V116 WeakPolarHBondContact O-CG2 3.47Å; I112-V116 PolarHBondContact O-N 2.93Å; I112-V116 VanDerWaalsContact O-N 3.08Å; I112-L140 HydrophobicContact CG2-CD1 4.36Å; I112-A143 HydrophobicContact CB-CB 4.28Å; I112-A143 HydrophobicContact CG2-CB 3.68Å |
| 113 | S | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.1 | -28 | 173.1 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | L109 D110 V116 A117 A143 G147 K150 | L109-S113 WeakPolarHBondContact O-CB 3.21Å; L109-S113 PolarHBondContact O-N 3.32Å; L109-S113 PolarHBondContact O-OG 3.47Å; D110-S113 WeakPolarHBondContact CA-OG 3.31Å; D110-S113 PolarHBondContact O-N 3.2Å; D110-S113 PolarHBondContact O-OG 3.35Å; S113-V116 PolarHBondContact O-N 3.43Å; S113-A117 WeakPolarHBondContact O-CB 3.48Å; S113-A117 PolarHBondContact O-N 2.83Å; S113-A143 WeakPolarHBondContact CB-O 3.41Å; S113-G147 WeakPolarHBondContact O-CA 3.31Å; S113-K150 PolarHBondContact OG-NZ 2.96Å |
| 114 | N | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.6 | -44.1 | 170.3 | -70.9 | -26.8 | 0 | 0 | 0 | 111.5 | D110 E111 I112 V116 A117 H118 K150 R230 H231 P233 | D110-N114 WeakPolarHBondContact O-CB 3.26Å; D110-N114 PolarHBondContact O-N 2.93Å; D110-N114 PolarHBondContact O-ND2 3.22Å; D110-N114 PolarHBondContact OD2-ND2 3.36Å; D110-N114 VanDerWaalsContact OD2-ND2 3.17Å; E111-N114 WeakPolarHBondContact O-CB 3.48Å; E111-N114 PolarHBondContact O-N 3.39Å; I112-N114 VanDerWaalsContact C-N 3.28Å; I112-N114 PolarHBondContact O-N 2.87Å; N114-V116 VanDerWaalsContact C-N 3.32Å; N114-V116 PolarHBondContact O-N 2.91Å; N114-A117 VanDerWaalsContact O-CB 3.31Å; N114-A117 WeakPolarHBondContact O-CB 3.22Å; N114-A117 PolarHBondContact O-N 3.43Å; N114-H118 PolarHBondContact O-CD2 3.5Å; N114-H118 PolarHBondContact O-N 3.08Å; N114-K150 WeakPolarHBondContact OD1-CD 3.27Å; N114-K150 PolarHBondContact OD1-NZ 3.47Å; N114-R230 VanDerWaalsContact CB-O 3.23Å; N114-R230 WeakPolarHBondContact CB-O 3.33Å; N114-R230 PolarHBondContact ND2-O 3.34Å; N114-H231 WeakPolarHBondContact CB-O 3.48Å; N114-P233 VanDerWaalsContact OD1-CD 3.23Å; N114-P233 WeakPolarHBondContact OD1-CD 3.39Å |
| 115 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.7 | -43.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E111 I112 A117 H118 W119 A228 S229 | E111-A115 PolarHBondContact O-N 3.45Å; I112-A115 WeakPolarHBondContact O-CB 3.15Å; I112-A115 PolarHBondContact O-N 3.48Å; A115-A117 VanDerWaalsContact C-N 3.29Å; A115-A117 PolarHBondContact O-N 2.88Å; A115-H118 PolarHBondContact O-N 3.4Å; A115-W119 WeakPolarHBondContact O-CB 3.1Å; A115-W119 PolarHBondContact O-N 3.47Å; A115-A228 HydrophobicContact CB-CB 3.86Å; A115-S229 VanDerWaalsContact CA-O 3.22Å; A115-S229 WeakPolarHBondContact CA-O 3.37Å; A115-S229 PolarHBondContact N-O 3.36Å |
| 116 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.3 | -42.4 | 173.4 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | I112 S113 N114 H118 W119 A120 L144 L148 L225 | I112-V116 WeakPolarHBondContact O-CG2 3.47Å; I112-V116 PolarHBondContact O-N 2.93Å; I112-V116 VanDerWaalsContact O-N 3.08Å; S113-V116 PolarHBondContact O-N 3.43Å; N114-V116 VanDerWaalsContact C-N 3.32Å; N114-V116 PolarHBondContact O-N 2.91Å; V116-H118 PolarHBondContact O-N 3.49Å; V116-W119 HydrophobicContact CG1-CE3 4.03Å; V116-W119 HydrophobicContact CG1-CZ3 4.31Å; V116-W119 WeakPolarHBondContact O-CB 3.39Å; V116-W119 PolarHBondContact O-N 2.99Å; V116-A120 WeakPolarHBondContact O-CB 3.33Å; V116-A120 PolarHBondContact O-N 3.27Å; V116-L144 HydrophobicContact CG1-CD2 4.18Å; V116-L144 WeakPolarHBondContact CG1-O 3.27Å; V116-L144 HydrophobicContact CG2-CD2 3.97Å; V116-L148 HydrophobicContact CG1-CG 4.37Å; V116-L225 HydrophobicContact CB-CD2 4.4Å; V116-L225 HydrophobicContact CG2-CD1 4.06Å; V116-L225 HydrophobicContact CG2-CD2 3.84Å |
| 117 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | S113 N114 A115 A120 R121 G147 K150 V151 P233 | S113-A117 WeakPolarHBondContact O-CB 3.48Å; S113-A117 PolarHBondContact O-N 2.83Å; N114-A117 VanDerWaalsContact O-CB 3.31Å; N114-A117 WeakPolarHBondContact O-CB 3.22Å; N114-A117 PolarHBondContact O-N 3.43Å; A115-A117 VanDerWaalsContact C-N 3.29Å; A115-A117 PolarHBondContact O-N 2.88Å; A117-A120 PolarHBondContact O-N 3.34Å; A117-R121 PolarHBondContact O-N 3.31Å; A117-G147 WeakPolarHBondContact CA-O 3.32Å; A117-G147 VanDerWaalsContact CB-O 3.3Å; A117-G147 WeakPolarHBondContact CB-O 3.29Å; A117-K150 HydrophobicContact CB-CB 3.96Å; A117-K150 HydrophobicContact CB-CD 4.4Å; A117-V151 HydrophobicContact CB-CG1 3.88Å; A117-P233 HydrophobicContact CB-CB 4.06Å; A117-P233 HydrophobicContact CB-CG 3.66Å |
| 118 | H | 98.3 | Very high | 96.9 | Very high | 54 Ų | 54 | 34.9 Ų | 34.9 | 25% | 0.25 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.7 | -40.1 | 174.9 | -73.7 | -68.3 | 0 | 0 | 0 | 112.1 | N114 A115 V116 R121 G122 S229 H231 | N114-H118 PolarHBondContact O-CD2 3.5Å; N114-H118 PolarHBondContact O-N 3.08Å; A115-H118 PolarHBondContact O-N 3.4Å; V116-H118 PolarHBondContact O-N 3.49Å; H118-R121 PolarHBondContact O-N 3.22Å; H118-G122 PolarHBondContact O-N 3.02Å; H118-S229 PolarHBondContact CD2-O 2.7Å; H118-H231 PolarHBondContact NE2-O 3.39Å |
| 119 | W | 98 | Very high | 96.8 | Very high | 8 Ų | 8 | 31.8 Ų | 31.8 | 3% | 0.03 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.5 | -51.3 | 172 | 161.6 | 69.2 | 0 | 0 | 0 | 111.4 | A115 V116 R121 G122 Q123 W125 L148 V180 F203 L221 V224 L225 | A115-W119 WeakPolarHBondContact O-CB 3.1Å; A115-W119 PolarHBondContact O-N 3.47Å; V116-W119 HydrophobicContact CG1-CE3 4.03Å; V116-W119 HydrophobicContact CG1-CZ3 4.31Å; V116-W119 WeakPolarHBondContact O-CB 3.39Å; V116-W119 PolarHBondContact O-N 2.99Å; W119-R121 VanDerWaalsContact C-N 3.29Å; W119-R121 PolarHBondContact O-N 2.93Å; W119-G122 WeakPolarHBondContact O-CA 3.43Å; W119-G122 PolarHBondContact O-N 3.05Å; W119-Q123 WeakPolarHBondContact O-CG 3.46Å; W119-Q123 PolarHBondContact O-N 2.86Å; W119-W125 HydrophobicContact CE3-CZ3 4.5Å; W119-W125 AromaticContact CH2-CH2 3.78Å; W119-W125 HydrophobicContact CH2-CH2 3.78Å; W119-W125 AromaticContact CH2-CZ3 3.51Å; W119-W125 HydrophobicContact CH2-CZ3 3.51Å; W119-W125 AromaticContact CZ2-CH2 3.7Å; W119-W125 HydrophobicContact CZ2-CH2 3.7Å; W119-W125 AromaticContact CZ2-CZ3 3.77Å; W119-W125 HydrophobicContact CZ2-CZ3 3.77Å; W119-W125 AromaticContact CZ3-CZ3 3.91Å; W119-W125 HydrophobicContact CZ3-CZ3 3.91Å; W119-L148 HydrophobicContact CZ3-CD2 4.14Å; W119-V180 HydrophobicContact CH2-CG2 3.6Å; W119-V180 HydrophobicContact CZ2-CG2 4.34Å; W119-V180 HydrophobicContact CZ3-CG2 4.38Å; W119-F203 HydrophobicContact CH2-CD2 4.38Å; W119-F203 HydrophobicContact CZ2-CD1 4.02Å; W119-F203 AromaticContact CZ2-CD2 3.61Å; W119-F203 HydrophobicContact CZ2-CD2 3.61Å; W119-F203 HydrophobicContact CZ2-CE1 4.11Å; W119-F203 AromaticContact CZ2-CE2 3.68Å; W119-F203 HydrophobicContact CZ2-CE2 3.68Å; W119-F203 AromaticContact CZ2-CG 3.78Å; W119-F203 HydrophobicContact CZ2-CG 3.78Å; W119-F203 AromaticContact CZ2-CZ 3.94Å; W119-F203 HydrophobicContact CZ2-CZ 3.94Å; W119-F203 AromaticContact NE1-CE1 3.6Å; W119-F203 AromaticContact NE1-CZ 3.81Å; W119-L221 HydrophobicContact CD2-CD1 3.91Å; W119-L221 HydrophobicContact CE3-CD1 4.45Å; W119-L221 HydrophobicContact CG-CD1 4.32Å; W119-L221 HydrophobicContact CH2-CD1 4.34Å; W119-L221 HydrophobicContact CZ2-CD1 3.78Å; W119-V224 VanDerWaalsContact CD1-CG1 3.5Å; W119-V224 HydrophobicContact CG-CG1 4.29Å; W119-L225 HydrophobicContact CB-CD2 3.89Å; W119-L225 HydrophobicContact CD2-CD2 4.49Å; W119-L225 HydrophobicContact CG-CD2 4.19Å |
| 120 | A | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.7 | -38.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V116 A117 Q123 W125 L148 V151 | V116-A120 WeakPolarHBondContact O-CB 3.33Å; V116-A120 PolarHBondContact O-N 3.27Å; A117-A120 PolarHBondContact O-N 3.34Å; A120-Q123 PolarHBondContact O-N 2.94Å; A120-W125 HydrophobicContact CB-CE3 3.99Å; A120-W125 HydrophobicContact CB-CZ3 4.43Å; A120-W125 PolarHBondContact O-N 2.89Å; A120-L148 HydrophobicContact CB-CD2 3.91Å; A120-V151 HydrophobicContact CB-CG2 3.94Å |
| 121 | R | 95.4 | Very high | 96.7 | Very high | 87 Ų | 87 | 30.9 Ų | 30.9 | 33% | 0.328 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.5 | -40.9 | 171.7 | -82.9 | 176.8 | 167.9 | -150.2 | -8.7 | 113 | A117 H118 W119 Q123 G124 V151 S234 P235 | A117-R121 PolarHBondContact O-N 3.31Å; H118-R121 PolarHBondContact O-N 3.22Å; W119-R121 VanDerWaalsContact C-N 3.29Å; W119-R121 PolarHBondContact O-N 2.93Å; R121-Q123 PolarHBondContact O-N 3.46Å; R121-G124 WeakPolarHBondContact O-CA 3.23Å; R121-G124 PolarHBondContact O-N 3.34Å; R121-V151 HydrophobicContact CG-CB 4.23Å; R121-V151 HydrophobicContact CG-CG1 3.78Å; R121-V151 VanDerWaalsContact NE-CG1 3.34Å; R121-S234 VanDerWaalsContact CZ-O 3.25Å; R121-S234 VanDerWaalsContact NH1-CB 3.33Å; R121-S234 PolarHBondContact NH1-OG 3.33Å; R121-S234 VanDerWaalsContact NH1-OG 3.08Å; R121-S234 PolarHBondContact NH2-O 3.22Å; R121-P235 PolarHBondContact NH2-O 3.45Å; R121-P235 VanDerWaalsContact NH2-O 3.15Å |
| 122 | G | 95.9 | Very high | 96.7 | Very high | 65 Ų | 65 | 27 Ų | 27 | 67% | 0.67 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -60.8 | -27.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | H118 W119 G124 | H118-G122 PolarHBondContact O-N 3.02Å; W119-G122 WeakPolarHBondContact O-CA 3.43Å; W119-G122 PolarHBondContact O-N 3.05Å; G122-G124 PolarHBondContact O-N 3.27Å |
| 123 | Q | 96.4 | Very high | 96.7 | Very high | 69 Ų | 69 | 25.7 Ų | 25.7 | 32% | 0.322 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -6.1 | 171.4 | -58.1 | -54.4 | -54.2 | 0 | 0 | 113.8 | W119 A120 R121 W125 F203 | W119-Q123 WeakPolarHBondContact O-CG 3.46Å; W119-Q123 PolarHBondContact O-N 2.86Å; A120-Q123 PolarHBondContact O-N 2.94Å; R121-Q123 PolarHBondContact O-N 3.46Å; Q123-W125 VanDerWaalsContact C-N 3.31Å; Q123-W125 HydrophobicContact CB-CD2 3.68Å; Q123-W125 HydrophobicContact CB-CE3 3.98Å; Q123-W125 HydrophobicContact CB-CG 4.16Å; Q123-W125 HydrophobicContact CB-CH2 4.06Å; Q123-W125 HydrophobicContact CB-CZ2 3.73Å; Q123-W125 HydrophobicContact CB-CZ3 4.17Å; Q123-W125 HydrophobicContact CG-CD2 4.4Å; Q123-W125 HydrophobicContact CG-CE3 4.29Å; Q123-W125 HydrophobicContact CG-CH2 3.76Å; Q123-W125 HydrophobicContact CG-CZ2 3.85Å; Q123-W125 HydrophobicContact CG-CZ3 3.99Å; Q123-W125 PolarHBondContact O-N 2.88Å; Q123-F203 HydrophobicContact CG-CZ 4.29Å |
| 124 | G | 95 | Very high | 96.7 | Very high | 50 Ų | 50 | 25.7 Ų | 25.7 | 52% | 0.515 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 13.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R121 G122 | R121-G124 WeakPolarHBondContact O-CA 3.23Å; R121-G124 PolarHBondContact O-N 3.34Å; G122-G124 PolarHBondContact O-N 3.27Å |
| 125 | W | 95.1 | Very high | 96.6 | Very high | 21 Ų | 21 | 25.7 Ų | 25.7 | 8% | 0.08 | 17% | 0.166 | C | C | . | . | trans | -75 | 141.2 | 179 | -59 | -30.4 | 0 | 0 | 0 | 112 | W119 A120 Q123 D129 V131 V153 A178 F203 | W119-W125 HydrophobicContact CE3-CZ3 4.5Å; W119-W125 AromaticContact CH2-CH2 3.78Å; W119-W125 HydrophobicContact CH2-CH2 3.78Å; W119-W125 AromaticContact CH2-CZ3 3.51Å; W119-W125 HydrophobicContact CH2-CZ3 3.51Å; W119-W125 AromaticContact CZ2-CH2 3.7Å; W119-W125 HydrophobicContact CZ2-CH2 3.7Å; W119-W125 AromaticContact CZ2-CZ3 3.77Å; W119-W125 HydrophobicContact CZ2-CZ3 3.77Å; W119-W125 AromaticContact CZ3-CZ3 3.91Å; W119-W125 HydrophobicContact CZ3-CZ3 3.91Å; A120-W125 HydrophobicContact CB-CE3 3.99Å; A120-W125 HydrophobicContact CB-CZ3 4.43Å; A120-W125 PolarHBondContact O-N 2.89Å; Q123-W125 VanDerWaalsContact C-N 3.31Å; Q123-W125 HydrophobicContact CB-CD2 3.68Å; Q123-W125 HydrophobicContact CB-CE3 3.98Å; Q123-W125 HydrophobicContact CB-CG 4.16Å; Q123-W125 HydrophobicContact CB-CH2 4.06Å; Q123-W125 HydrophobicContact CB-CZ2 3.73Å; Q123-W125 HydrophobicContact CB-CZ3 4.17Å; Q123-W125 HydrophobicContact CG-CD2 4.4Å; Q123-W125 HydrophobicContact CG-CE3 4.29Å; Q123-W125 HydrophobicContact CG-CH2 3.76Å; Q123-W125 HydrophobicContact CG-CZ2 3.85Å; Q123-W125 HydrophobicContact CG-CZ3 3.99Å; Q123-W125 PolarHBondContact O-N 2.88Å; W125-D129 VanDerWaalsContact CA-OD2 3.28Å; W125-D129 WeakPolarHBondContact CA-OD2 3.48Å; W125-D129 HydrophobicContact CB-CB 4.24Å; W125-V131 HydrophobicContact CD2-CG2 4.24Å; W125-V131 HydrophobicContact CE3-CG2 3.66Å; W125-V131 HydrophobicContact CH2-CG2 4.12Å; W125-V131 HydrophobicContact CZ3-CG2 3.59Å; W125-V153 HydrophobicContact CB-CG2 3.78Å; W125-A178 HydrophobicContact CH2-CB 3.42Å; W125-A178 VanDerWaalsContact CH2-CB 3.42Å; W125-A178 HydrophobicContact CZ2-CB 3.29Å; W125-A178 HydrophobicContact CZ3-CB 4.43Å; W125-F203 HydrophobicContact CH2-CD2 4.41Å; W125-F203 AromaticContact CH2-CE2 3.8Å; W125-F203 HydrophobicContact CH2-CE2 3.8Å; W125-F203 HydrophobicContact CZ2-CE2 4.17Å | ||
| 126 | V | 91.4 | Very high | 96.4 | Very high | 86 Ų | 86 | 27.4 Ų | 27.4 | 52% | 0.521 | 17% | 0.174 | S | C | . | . | trans | -119.8 | 172 | -173.3 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | G128 D129 | V126-G128 PolarHBondContact O-N 3.22Å; V126-D129 PolarHBondContact N-OD2 3.32Å; V126-D129 VanDerWaalsContact O-CB 3.3Å; V126-D129 WeakPolarHBondContact O-CB 3.48Å; V126-D129 PolarHBondContact O-N 3.04Å | ||
| 127 | S | 94.1 | Very high | 96.3 | Very high | 42 Ų | 42 | 27.5 Ų | 27.5 | 29% | 0.294 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 125.9 | 178.2 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | G152 K240 | S127-G152 WeakPolarHBondContact CA-O 3.44Å; S127-K240 WeakPolarHBondContact OG-CE 3.09Å |
| 128 | G | 90.5 | Very high | 96.2 | Very high | 32 Ų | 32 | 29 Ų | 29 | 33% | 0.33 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.3 | -15.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V126 G152 | V126-G128 PolarHBondContact O-N 3.22Å; G128-G152 PolarHBondContact N-O 2.97Å; G128-G152 VanDerWaalsContact N-O 3.12Å |
| 129 | D | 96.7 | Very high | 96.2 | Very high | 15 Ų | 15 | 26.7 Ų | 26.7 | 8% | 0.08 | 17% | 0.17 | C | C | . | . | trans | -63.5 | 152 | 167.8 | -70.5 | -13.9 | 0 | 0 | 0 | 110.3 | W125 V126 V153 E154 R177 | W125-D129 VanDerWaalsContact CA-OD2 3.28Å; W125-D129 WeakPolarHBondContact CA-OD2 3.48Å; W125-D129 HydrophobicContact CB-CB 4.24Å; V126-D129 PolarHBondContact N-OD2 3.32Å; V126-D129 VanDerWaalsContact O-CB 3.3Å; V126-D129 WeakPolarHBondContact O-CB 3.48Å; V126-D129 PolarHBondContact O-N 3.04Å; D129-V153 HydrophobicContact CB-CG1 4.43Å; D129-V153 HydrophobicContact CB-CG2 4.49Å; D129-V153 WeakPolarHBondContact O-CG1 3.45Å; D129-E154 PolarHBondContact O-N 3.43Å; D129-R177 VanDerWaalsContact CG-CD 3.46Å; D129-R177 VanDerWaalsContact CG-NH1 3.27Å; D129-R177 IonicContact OD1-CZ 3.67Å; D129-R177 IonicContact OD1-NE 3.7Å; D129-R177 PolarHBondContact OD1-NE 2.78Å; D129-R177 IonicContact OD1-NH1 3.51Å; D129-R177 PolarHBondContact OD1-NH1 3.3Å; D129-R177 VanDerWaalsContact OD1-NH1 3.15Å; D129-R177 IonicContact OD1-NH2 3.7Å; D129-R177 PolarHBondContact OD1-NH2 3.45Å; D129-R177 IonicContact OD2-CZ 2.76Å; D129-R177 IonicContact OD2-NE 3.17Å; D129-R177 IonicContact OD2-NH1 3.01Å; D129-R177 PolarHBondContact OD2-NH1 3.48Å | ||
| 130 | V | 98.4 | Very high | 96.3 | Very high | 8 Ų | 8 | 27.3 Ų | 27.3 | 5% | 0.048 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 134.7 | -176.3 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | E154 A156 S174 S176 R177 Y248 | V130-E154 CarbonylContact C-O 3.49Å; V130-E154 VanDerWaalsContact CA-O 3.3Å; V130-E154 WeakPolarHBondContact CA-O 3.18Å; V130-E154 HydrophobicContact CG2-CB 4.31Å; V130-A156 HydrophobicContact CG1-CB 3.88Å; V130-S174 WeakPolarHBondContact CG2-O 3.26Å; V130-S176 CarbonylContact O-C 3.57Å; V130-S176 WeakPolarHBondContact O-CA 3.39Å; V130-R177 PolarHBondContact O-N 3.17Å; V130-Y248 HydrophobicContact CG1-CD2 4.21Å; V130-Y248 HydrophobicContact CG1-CE2 4Å; V130-Y248 HydrophobicContact CG2-CE2 3.91Å |
| 131 | V | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 121.5 | 172.9 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | W125 L133 L148 V153 E154 A155 A156 A178 V180 | W125-V131 HydrophobicContact CD2-CG2 4.24Å; W125-V131 HydrophobicContact CE3-CG2 3.66Å; W125-V131 HydrophobicContact CH2-CG2 4.12Å; W125-V131 HydrophobicContact CZ3-CG2 3.59Å; V131-L133 HydrophobicContact CG1-CD2 4.29Å; V131-L148 HydrophobicContact CB-CD1 3.85Å; V131-L148 HydrophobicContact CB-CD2 4.12Å; V131-L148 HydrophobicContact CG1-CD1 4.14Å; V131-L148 HydrophobicContact CG2-CD1 4.48Å; V131-L148 HydrophobicContact CG2-CD2 3.83Å; V131-V153 HydrophobicContact CB-CG1 4.49Å; V131-V153 HydrophobicContact CG2-CG1 3.73Å; V131-E154 PolarHBondContact N-O 3.24Å; V131-A155 CarbonylContact O-C 3.6Å; V131-A155 WeakPolarHBondContact O-CA 3.36Å; V131-A156 PolarHBondContact O-N 2.97Å; V131-A178 WeakPolarHBondContact CA-O 3.49Å; V131-A178 HydrophobicContact CG1-CB 4.32Å; V131-A178 HydrophobicContact CG2-CB 4.36Å; V131-V180 HydrophobicContact CG1-CG2 4.09Å |
| 132 | A | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 132.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | A156 I158 S176 A178 I179 V180 | A132-A156 WeakPolarHBondContact CA-O 3.47Å; A132-I158 HydrophobicContact CB-CD1 3.66Å; A132-I158 HydrophobicContact CB-CG1 4.4Å; A132-S176 WeakPolarHBondContact CB-OG 3.21Å; A132-S176 PolarHBondContact N-OG 3.3Å; A132-A178 PolarHBondContact N-O 3.06Å; A132-I179 HydrophobicContact CB-CB 4.06Å; A132-I179 HydrophobicContact CB-CD1 4.27Å; A132-I179 HydrophobicContact CB-CG1 3.94Å; A132-I179 CarbonylContact O-C 3.13Å; A132-I179 WeakPolarHBondContact O-CA 3.41Å; A132-V180 PolarHBondContact O-N 2.99Å |
| 133 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 113.7 | 173.3 | -57.9 | -171.7 | 0 | 0 | 0 | 108.4 | V131 L135 L144 W145 L148 A155 A156 L157 I158 V180 | V131-L133 HydrophobicContact CG1-CD2 4.29Å; L133-L135 HydrophobicContact CB-CD2 3.82Å; L133-L144 HydrophobicContact CD1-CB 3.87Å; L133-L144 HydrophobicContact CD2-CB 4.08Å; L133-L144 HydrophobicContact CD2-CD1 4.23Å; L133-W145 HydrophobicContact CD1-CB 3.91Å; L133-L148 HydrophobicContact CD2-CD1 4.21Å; L133-A155 HydrophobicContact CD1-CB 3.96Å; L133-A155 HydrophobicContact CG-CB 4.22Å; L133-A156 PolarHBondContact N-O 3.16Å; L133-L157 HydrophobicContact CB-CD2 4.29Å; L133-L157 HydrophobicContact CD1-CD2 3.81Å; L133-L157 HydrophobicContact CG-CD2 4.34Å; L133-I158 PolarHBondContact O-N 3.42Å; L133-V180 HydrophobicContact CD2-CB 3.94Å; L133-V180 HydrophobicContact CD2-CG2 4.22Å |
| 134 | F | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 79.1 | -177.2 | -177.3 | -120.7 | 0 | 0 | 0 | 109.9 | I158 N159 F160 L167 I179 V180 F181 G182 L185 A188 M189 | F134-I158 HydrophobicContact CB-CB 4.37Å; F134-I158 HydrophobicContact CD2-CB 4Å; F134-I158 HydrophobicContact CD2-CG2 3.59Å; F134-I158 HydrophobicContact CE2-CG2 4.11Å; F134-N159 WeakPolarHBondContact CE2-O 3.31Å; F134-F160 VanDerWaalsContact CE2-CA 3.41Å; F134-F160 HydrophobicContact CE2-CB 4.45Å; F134-L167 HydrophobicContact CD1-CD1 4.42Å; F134-L167 HydrophobicContact CD2-CD1 3.85Å; F134-L167 HydrophobicContact CE1-CD1 4.27Å; F134-L167 HydrophobicContact CE1-CD2 3.84Å; F134-L167 HydrophobicContact CE2-CD1 3.66Å; F134-L167 HydrophobicContact CE2-CD2 4.36Å; F134-L167 HydrophobicContact CG-CD1 4.22Å; F134-L167 HydrophobicContact CZ-CD1 3.91Å; F134-L167 HydrophobicContact CZ-CD2 3.75Å; F134-L167 HydrophobicContact CZ-CG 4.47Å; F134-I179 HydrophobicContact CB-CD1 3.93Å; F134-I179 HydrophobicContact CB-CG1 4.26Å; F134-V180 PolarHBondContact N-O 2.83Å; F134-F181 HydrophobicContact CB-CB 4.34Å; F134-F181 HydrophobicContact CD1-CB 4.03Å; F134-F181 WeakPolarHBondContact O-CA 3.41Å; F134-F181 WeakPolarHBondContact O-CB 3.42Å; F134-G182 PolarHBondContact O-N 3.39Å; F134-G182 VanDerWaalsContact O-N 3.12Å; F134-L185 HydrophobicContact CD1-CB 4.05Å; F134-L185 HydrophobicContact CD1-CD1 3.82Å; F134-L185 HydrophobicContact CD2-CD1 4.23Å; F134-L185 HydrophobicContact CE1-CB 3.64Å; F134-L185 HydrophobicContact CE1-CD1 3.8Å; F134-L185 HydrophobicContact CE1-CG 4.21Å; F134-L185 HydrophobicContact CE2-CD1 4.24Å; F134-L185 HydrophobicContact CG-CD1 4.04Å; F134-L185 HydrophobicContact CZ-CB 4.31Å; F134-L185 HydrophobicContact CZ-CD1 4.01Å; F134-L185 HydrophobicContact CZ-CD2 4.48Å; F134-L185 HydrophobicContact CZ-CG 4.5Å; F134-L185 VanDerWaalsContact O-CD1 3.24Å; F134-L185 WeakPolarHBondContact O-CD1 3.49Å; F134-A188 HydrophobicContact CE1-CB 3.92Å; F134-A188 HydrophobicContact CZ-CB 3.97Å; F134-M189 HydrophobicContact CD1-CG 4.35Å; F134-M189 HydrophobicContact CD1-SD 4.02Å; F134-M189 HydrophobicContact CE1-CG 4.38Å; F134-M189 HydrophobicContact CE1-SD 4.28Å |
| 135 | L | 96.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | trans | -149.4 | 153.6 | -176.6 | 63.3 | 166.5 | 0 | 0 | 0 | 110.2 | L133 R138 H141 L144 T205 | L133-L135 HydrophobicContact CB-CD2 3.82Å; L135-R138 HydrophobicContact CD1-CG 4.18Å; L135-H141 HydrophobicContact CD1-CB 4.14Å; L135-H141 HydrophobicContact CG-CB 4.3Å; L135-L144 HydrophobicContact CD1-CD1 4Å; L135-L144 HydrophobicContact CD2-CD1 4.43Å; L135-T205 HydrophobicContact CD1-CG2 4.27Å | ||
| 136 | E | 94.7 | Very high | 97.1 | Very high | 36 Ų | 36 | 13.5 Ų | 13.5 | 17% | 0.168 | 8% | 0.083 | C | C | . | . | trans | -65.7 | 158.6 | 173.1 | -67.5 | -174.7 | 160.6 | 0 | 0 | 112.2 | R138 F160 E184 R317 | E136-R138 PolarHBondContact O-N 3.02Å; E136-R138 VanDerWaalsContact O-N 3.12Å; E136-F160 HydrophobicContact CB-CD1 4.45Å; E136-F160 HydrophobicContact CG-CB 4.41Å; E136-F160 HydrophobicContact CG-CD1 4.25Å; E136-F160 HydrophobicContact CG-CD2 4.1Å; E136-F160 HydrophobicContact CG-CE2 4.43Å; E136-F160 HydrophobicContact CG-CG 4.03Å; E136-E184 HydrophobicContact CB-CG 4.45Å; E136-E184 WeakPolarHBondContact CB-OE1 3.3Å; E136-E184 HydrophobicContact CG-CG 3.86Å; E136-E184 PolarHBondContact N-OE1 2.81Å; E136-R317 HydrophobicContact CB-CG 4.44Å; E136-R317 IonicContact OE2-CZ 2.78Å; E136-R317 IonicContact OE2-NE 2.74Å; E136-R317 PolarHBondContact OE2-NE 3.12Å; E136-R317 IonicContact OE2-NH2 3.65Å; E136-R317 PolarHBondContact OE2-NH2 2.91Å | ||
| 137 | S | 95.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 9.4 Ų | 9.4 | 2% | 0.021 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -57 | 114.6 | -177.8 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | P292 L293 R317 | S137-P292 WeakPolarHBondContact OG-CA 3.19Å; S137-L293 PolarHBondContact OG-N 2.98Å; S137-R317 WeakPolarHBondContact O-CA 3.44Å |
| 138 | R | 97.4 | Very high | 97.6 | Very high | 32 Ų | 32 | 7.4 Ų | 7.4 | 12% | 0.121 | 4% | 0.044 | C | C | . | . | trans | -154.3 | 160.3 | 175.1 | 68.1 | -178.1 | 95.1 | 171.7 | 6.2 | 110.5 | Y97 L135 E136 L140 H141 E184 | Y97-R138 HydrophobicContact CD2-CB 4.39Å; Y97-R138 HydrophobicContact CE1-CB 4.26Å; Y97-R138 HydrophobicContact CE2-CB 3.84Å; L135-R138 HydrophobicContact CD1-CG 4.18Å; E136-R138 PolarHBondContact O-N 3.02Å; E136-R138 VanDerWaalsContact O-N 3.12Å; R138-L140 HydrophobicContact CG-CB 4.08Å; R138-L140 PolarHBondContact O-N 3.42Å; R138-L140 VanDerWaalsContact O-N 3.17Å; R138-H141 VanDerWaalsContact O-CB 3.26Å; R138-H141 WeakPolarHBondContact O-CB 3.02Å; R138-H141 PolarHBondContact O-N 2.89Å; R138-E184 IonicContact CZ-OE1 2.63Å; R138-E184 IonicContact CZ-OE2 3.76Å; R138-E184 IonicContact NH2-OE1 2.73Å; R138-E184 PolarHBondContact NH2-OE1 3.48Å; R138-E184 IonicContact NH2-OE2 3.71Å; R138-E184 PolarHBondContact NH2-OE2 3.32Å | ||
| 139 | P | 98.5 | Very high | 97.9 | Very high | 4 Ų | 4 | 6.2 Ų | 6.2 | 3% | 0.026 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -54.3 | -36.2 | 179.3 | -29.3 | 36.6 | 0 | 0 | 0 | 114.6 | L95 Y97 W104 H141 V142 A143 | L95-P139 HydrophobicContact CB-CB 4.14Å; L95-P139 HydrophobicContact CB-CG 4.22Å; L95-P139 HydrophobicContact CD1-CB 3.98Å; Y97-P139 HydrophobicContact CG-CG 4.24Å; W104-P139 HydrophobicContact CD2-CB 3.91Å; W104-P139 HydrophobicContact CE3-CB 3.5Å; W104-P139 HydrophobicContact CH2-CB 3.86Å; W104-P139 HydrophobicContact CZ2-CB 4.21Å; W104-P139 VanDerWaalsContact CZ3-C 3.48Å; W104-P139 HydrophobicContact CZ3-CB 3.49Å; W104-P139 VanDerWaalsContact CZ3-CB 3.49Å; P139-H141 PolarHBondContact O-N 2.9Å; P139-V142 WeakPolarHBondContact O-CA 3.31Å; P139-V142 WeakPolarHBondContact O-CB 3.47Å; P139-V142 PolarHBondContact O-N 2.94Å; P139-A143 PolarHBondContact O-N 3.32Å |
| 140 | L | 98.4 | Very high | 97.9 | Very high | 21 Ų | 21 | 6.6 Ų | 6.6 | 11% | 0.11 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -57.7 | -33.4 | 176.8 | -176.2 | 62.3 | 0 | 0 | 0 | 112.8 | W104 I112 R138 V142 A143 L144 T205 L225 | W104-L140 HydrophobicContact CH2-CB 4.11Å; W104-L140 HydrophobicContact CH2-CD1 4.46Å; I112-L140 HydrophobicContact CG2-CD1 4.36Å; R138-L140 HydrophobicContact CG-CB 4.08Å; R138-L140 PolarHBondContact O-N 3.42Å; R138-L140 VanDerWaalsContact O-N 3.17Å; L140-V142 PolarHBondContact O-N 3.25Å; L140-A143 HydrophobicContact CD1-CB 4.47Å; L140-A143 PolarHBondContact O-N 2.81Å; L140-L144 HydrophobicContact CD1-CG 4.21Å; L140-L144 HydrophobicContact CG-CD1 3.99Å; L140-L144 HydrophobicContact CG-CG 4.09Å; L140-L144 WeakPolarHBondContact O-CB 3.49Å; L140-L144 WeakPolarHBondContact O-CG 3.44Å; L140-L144 PolarHBondContact O-N 2.98Å; L140-T205 HydrophobicContact CD2-CG2 4.15Å; L140-T205 WeakPolarHBondContact CD2-OG1 3.49Å; L140-L225 HydrophobicContact CD1-CD1 4.02Å |
| 141 | H | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 6.6 Ų | 6.6 | 1% | 0.005 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -56.8 | -38.7 | 174.3 | -177.5 | -70.2 | 0 | 0 | 0 | 111.2 | L135 R138 P139 W145 L293 | L135-H141 HydrophobicContact CD1-CB 4.14Å; L135-H141 HydrophobicContact CG-CB 4.3Å; R138-H141 VanDerWaalsContact O-CB 3.26Å; R138-H141 WeakPolarHBondContact O-CB 3.02Å; R138-H141 PolarHBondContact O-N 2.89Å; P139-H141 PolarHBondContact O-N 2.9Å; H141-W145 PolarHBondContact O-N 2.89Å; H141-L293 HydrophobicContact CB-CD1 4.16Å; H141-L293 PolarHBondContact CE1-O 3.41Å |
| 142 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -70.2 | -46.5 | 177.6 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | L95 L109 P139 L140 L144 W145 L146 L293 V303 L307 | L95-V142 HydrophobicContact CD1-CB 3.85Å; L95-V142 HydrophobicContact CD1-CG1 4.12Å; L95-V142 HydrophobicContact CD1-CG2 3.9Å; L109-V142 HydrophobicContact CD1-CG1 4.41Å; P139-V142 WeakPolarHBondContact O-CA 3.31Å; P139-V142 WeakPolarHBondContact O-CB 3.47Å; P139-V142 PolarHBondContact O-N 2.94Å; L140-V142 PolarHBondContact O-N 3.25Å; V142-L144 VanDerWaalsContact C-N 3.27Å; V142-L144 PolarHBondContact O-N 3.35Å; V142-W145 HydrophobicContact CG1-CZ2 4.24Å; V142-L146 HydrophobicContact CG1-CD1 3.79Å; V142-L146 HydrophobicContact CG1-CG 4.4Å; V142-L146 WeakPolarHBondContact O-CB 3.43Å; V142-L146 WeakPolarHBondContact O-CG 3.32Å; V142-L146 PolarHBondContact O-N 3.06Å; V142-L293 HydrophobicContact CG2-CD1 3.98Å; V142-V303 HydrophobicContact CB-CG1 4.42Å; V142-V303 HydrophobicContact CG1-CG1 3.63Å; V142-V303 HydrophobicContact CG2-CB 4.49Å; V142-V303 HydrophobicContact CG2-CG1 3.83Å; V142-V303 HydrophobicContact CG2-CG2 3.96Å; V142-L307 HydrophobicContact CG1-CD1 4.34Å; V142-L307 HydrophobicContact CG1-CD2 4.47Å |
| 143 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -62.6 | -35.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | W104 L109 I112 S113 P139 L140 G147 | W104-A143 HydrophobicContact CZ3-CB 4.02Å; L109-A143 HydrophobicContact CD1-CB 4.01Å; I112-A143 HydrophobicContact CB-CB 4.28Å; I112-A143 HydrophobicContact CG2-CB 3.68Å; S113-A143 WeakPolarHBondContact CB-O 3.41Å; P139-A143 PolarHBondContact O-N 3.32Å; L140-A143 HydrophobicContact CD1-CB 4.47Å; L140-A143 PolarHBondContact O-N 2.81Å; A143-G147 PolarHBondContact O-N 3.47Å |
| 144 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -60.8 | -58.4 | 177.5 | -75.7 | 167.9 | 0 | 0 | 0 | 111.6 | V116 L133 L135 L140 V142 L146 G147 L148 V180 L221 | V116-L144 HydrophobicContact CG1-CD2 4.18Å; V116-L144 WeakPolarHBondContact CG1-O 3.27Å; V116-L144 HydrophobicContact CG2-CD2 3.97Å; L133-L144 HydrophobicContact CD1-CB 3.87Å; L133-L144 HydrophobicContact CD2-CB 4.08Å; L133-L144 HydrophobicContact CD2-CD1 4.23Å; L135-L144 HydrophobicContact CD1-CD1 4Å; L135-L144 HydrophobicContact CD2-CD1 4.43Å; L140-L144 HydrophobicContact CD1-CG 4.21Å; L140-L144 HydrophobicContact CG-CD1 3.99Å; L140-L144 HydrophobicContact CG-CG 4.09Å; L140-L144 WeakPolarHBondContact O-CB 3.49Å; L140-L144 WeakPolarHBondContact O-CG 3.44Å; L140-L144 PolarHBondContact O-N 2.98Å; V142-L144 VanDerWaalsContact C-N 3.27Å; V142-L144 PolarHBondContact O-N 3.35Å; L144-L146 VanDerWaalsContact C-N 3.31Å; L144-L146 PolarHBondContact O-N 2.89Å; L144-G147 PolarHBondContact O-N 3.15Å; L144-L148 WeakPolarHBondContact O-CG 3.36Å; L144-L148 PolarHBondContact O-N 3.14Å; L144-V180 HydrophobicContact CD1-CG1 3.85Å; L144-V180 HydrophobicContact CD2-CG1 4.45Å; L144-L221 HydrophobicContact CD2-CD2 3.96Å |
| 145 | W | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 6.9 Ų | 6.9 | 1% | 0.008 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -67.9 | -32.4 | -178.8 | 74.3 | -106.5 | 0 | 0 | 0 | 112.3 | L133 H141 V142 A149 A155 L157 L246 F247 Y268 N299 L307 | L133-W145 HydrophobicContact CD1-CB 3.91Å; H141-W145 PolarHBondContact O-N 2.89Å; V142-W145 HydrophobicContact CG1-CZ2 4.24Å; W145-A149 VanDerWaalsContact O-CB 3.28Å; W145-A149 WeakPolarHBondContact O-CB 3.45Å; W145-A149 PolarHBondContact O-N 3.13Å; W145-A155 HydrophobicContact CB-CB 3.69Å; W145-L157 HydrophobicContact CB-CD2 4.42Å; W145-L246 HydrophobicContact CE3-CD1 4.05Å; W145-L246 HydrophobicContact CE3-CG 4.48Å; W145-L246 HydrophobicContact CZ3-CD1 3.86Å; W145-L246 HydrophobicContact CZ3-CD2 4Å; W145-L246 HydrophobicContact CZ3-CG 4.33Å; W145-F247 HydrophobicContact CD2-CD1 4.16Å; W145-F247 HydrophobicContact CD2-CE1 4.09Å; W145-F247 HydrophobicContact CE3-CD1 4.04Å; W145-F247 HydrophobicContact CE3-CE1 4.08Å; W145-F247 HydrophobicContact CG-CD1 4.41Å; W145-F247 HydrophobicContact CZ3-CE1 4.32Å; W145-Y268 HydrophobicContact CH2-CE2 4.12Å; W145-Y268 AromaticContact CH2-CZ 3.99Å; W145-Y268 HydrophobicContact CZ2-CE2 4.24Å; W145-N299 PolarHBondContact NE1-ND2 3.18Å; W145-L307 HydrophobicContact CH2-CD1 3.42Å; W145-L307 VanDerWaalsContact CH2-CD1 3.42Å; W145-L307 HydrophobicContact CZ2-CD1 3.39Å |
| 146 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -62.9 | -46.9 | 174.3 | -83.3 | 173 | 0 | 0 | 0 | 111.7 | L79 F82 L109 V142 L144 A149 K150 L307 | L79-L146 HydrophobicContact CD2-CD2 3.95Å; F82-L146 HydrophobicContact CD1-CD1 4.46Å; F82-L146 HydrophobicContact CE1-CD1 4.24Å; L109-L146 HydrophobicContact CD1-CD1 4.39Å; L109-L146 HydrophobicContact CD2-CD1 4.44Å; L109-L146 HydrophobicContact CG-CD1 4.38Å; V142-L146 HydrophobicContact CG1-CD1 3.79Å; V142-L146 HydrophobicContact CG1-CG 4.4Å; V142-L146 WeakPolarHBondContact O-CB 3.43Å; V142-L146 WeakPolarHBondContact O-CG 3.32Å; V142-L146 PolarHBondContact O-N 3.06Å; L144-L146 VanDerWaalsContact C-N 3.31Å; L144-L146 PolarHBondContact O-N 2.89Å; L146-A149 PolarHBondContact O-N 3.35Å; L146-K150 WeakPolarHBondContact O-CG 3.31Å; L146-K150 PolarHBondContact O-N 3.36Å; L146-L307 HydrophobicContact CD1-CD1 4.04Å; L146-L307 HydrophobicContact CD1-CD2 3.89Å; L146-L307 HydrophobicContact CD2-CD1 4.06Å; L146-L307 HydrophobicContact CG-CD1 4.31Å |
| 147 | G | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -66.7 | -41.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S113 A117 A143 L144 A149 K150 | S113-G147 WeakPolarHBondContact O-CA 3.31Å; A117-G147 WeakPolarHBondContact CA-O 3.32Å; A117-G147 VanDerWaalsContact CB-O 3.3Å; A117-G147 WeakPolarHBondContact CB-O 3.29Å; A143-G147 PolarHBondContact O-N 3.47Å; L144-G147 PolarHBondContact O-N 3.15Å; G147-A149 VanDerWaalsContact C-N 3.32Å; G147-A149 PolarHBondContact O-N 3.24Å; G147-K150 WeakPolarHBondContact O-CB 3.46Å; G147-K150 PolarHBondContact O-N 2.96Å |
| 148 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -57.5 | -47.4 | 172.2 | -67.8 | 167.8 | 0 | 0 | 0 | 110.8 | V116 W119 A120 V131 L133 L144 K150 V151 G152 V153 A155 | V116-L148 HydrophobicContact CG1-CG 4.37Å; W119-L148 HydrophobicContact CZ3-CD2 4.14Å; A120-L148 HydrophobicContact CB-CD2 3.91Å; V131-L148 HydrophobicContact CB-CD1 3.85Å; V131-L148 HydrophobicContact CB-CD2 4.12Å; V131-L148 HydrophobicContact CG1-CD1 4.14Å; V131-L148 HydrophobicContact CG2-CD1 4.48Å; V131-L148 HydrophobicContact CG2-CD2 3.83Å; L133-L148 HydrophobicContact CD2-CD1 4.21Å; L144-L148 WeakPolarHBondContact O-CG 3.36Å; L144-L148 PolarHBondContact O-N 3.14Å; L148-K150 VanDerWaalsContact C-N 3.29Å; L148-K150 PolarHBondContact O-N 2.96Å; L148-V151 VanDerWaalsContact O-CG2 3.25Å; L148-V151 WeakPolarHBondContact O-CG2 3.44Å; L148-V151 PolarHBondContact O-N 2.78Å; L148-V151 VanDerWaalsContact O-N 3.1Å; L148-G152 PolarHBondContact O-N 2.74Å; L148-V153 CarbonylContact C-O 3.55Å; L148-V153 HydrophobicContact CB-CB 4.1Å; L148-V153 HydrophobicContact CB-CG1 4.22Å; L148-V153 HydrophobicContact CD2-CB 4.12Å; L148-V153 HydrophobicContact CD2-CG1 3.69Å; L148-V153 HydrophobicContact CG-CG1 4.46Å; L148-V153 PolarHBondContact O-N 2.94Å; L148-V153 VanDerWaalsContact O-O 3.12Å; L148-A155 HydrophobicContact CD1-CB 4.22Å |
| 149 | A | 97.6 | Very high | 97.4 | Very high | 6 Ų | 6 | 5 Ų | 5 | 5% | 0.05 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -62.2 | -33.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | L79 W145 L146 G147 V151 G152 V153 L246 | L79-A149 HydrophobicContact CD1-CB 4.16Å; L79-A149 WeakPolarHBondContact CD1-O 3.45Å; L79-A149 HydrophobicContact CD2-CB 4.08Å; L79-A149 HydrophobicContact CG-CB 4.47Å; W145-A149 VanDerWaalsContact O-CB 3.28Å; W145-A149 WeakPolarHBondContact O-CB 3.45Å; W145-A149 PolarHBondContact O-N 3.13Å; L146-A149 PolarHBondContact O-N 3.35Å; G147-A149 VanDerWaalsContact C-N 3.32Å; G147-A149 PolarHBondContact O-N 3.24Å; A149-V151 PolarHBondContact O-N 3.03Å; A149-V151 VanDerWaalsContact O-N 3.14Å; A149-G152 PolarHBondContact O-N 3.12Å; A149-V153 WeakPolarHBondContact CA-O 3.37Å; A149-V153 PolarHBondContact N-O 3.44Å; A149-L246 HydrophobicContact CB-CD1 3.61Å |
| 150 | K | 96.6 | Very high | 96.8 | Very high | 24 Ų | 24 | 6.1 Ų | 6.1 | 10% | 0.104 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -56.8 | -27.1 | 175.9 | -73.6 | 176.2 | 176.5 | -179.9 | 0 | 113.2 | L79 D110 S113 N114 A117 L146 G147 L148 P233 | L79-K150 HydrophobicContact CD1-CG 4.33Å; L79-K150 HydrophobicContact CD2-CG 3.78Å; D110-K150 PolarHBondContact O-NZ 2.89Å; D110-K150 VanDerWaalsContact O-NZ 3.17Å; D110-K150 IonicContact OD1-NZ 2.65Å; D110-K150 PolarHBondContact OD1-NZ 3.3Å; D110-K150 IonicContact OD2-NZ 2.91Å; S113-K150 PolarHBondContact OG-NZ 2.96Å; N114-K150 WeakPolarHBondContact OD1-CD 3.27Å; N114-K150 PolarHBondContact OD1-NZ 3.47Å; A117-K150 HydrophobicContact CB-CB 3.96Å; A117-K150 HydrophobicContact CB-CD 4.4Å; L146-K150 WeakPolarHBondContact O-CG 3.31Å; L146-K150 PolarHBondContact O-N 3.36Å; G147-K150 WeakPolarHBondContact O-CB 3.46Å; G147-K150 PolarHBondContact O-N 2.96Å; L148-K150 VanDerWaalsContact C-N 3.29Å; L148-K150 PolarHBondContact O-N 2.96Å; K150-P233 HydrophobicContact CB-CG 3.91Å; K150-P233 HydrophobicContact CD-CG 4.26Å |
| 151 | V | 96.1 | Very high | 95.8 | Very high | 7 Ų | 7 | 8.2 Ų | 8.2 | 4% | 0.042 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 12.2 | 180 | -62.3 | 0 | 0 | 0 | 0 | 112.8 | A117 A120 R121 L148 A149 V153 P233 C236 | A117-V151 HydrophobicContact CB-CG1 3.88Å; A120-V151 HydrophobicContact CB-CG2 3.94Å; R121-V151 HydrophobicContact CG-CB 4.23Å; R121-V151 HydrophobicContact CG-CG1 3.78Å; R121-V151 VanDerWaalsContact NE-CG1 3.34Å; L148-V151 VanDerWaalsContact O-CG2 3.25Å; L148-V151 WeakPolarHBondContact O-CG2 3.44Å; L148-V151 PolarHBondContact O-N 2.78Å; L148-V151 VanDerWaalsContact O-N 3.1Å; A149-V151 PolarHBondContact O-N 3.03Å; A149-V151 VanDerWaalsContact O-N 3.14Å; V151-V153 VanDerWaalsContact C-N 3.25Å; V151-V153 HydrophobicContact CG2-CB 4.38Å; V151-V153 HydrophobicContact CG2-CG2 3.93Å; V151-V153 PolarHBondContact O-N 3.25Å; V151-P233 HydrophobicContact CG1-CB 4.28Å; V151-P233 HydrophobicContact CG1-CG 4.46Å; V151-C236 VanDerWaalsContact C-CB 3.46Å; V151-C236 WeakPolarHBondContact O-CB 3.47Å |
| 152 | G | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | -2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S127 G128 L148 A149 K240 | S127-G152 WeakPolarHBondContact CA-O 3.44Å; G128-G152 PolarHBondContact N-O 2.97Å; G128-G152 VanDerWaalsContact N-O 3.12Å; L148-G152 PolarHBondContact O-N 2.74Å; A149-G152 PolarHBondContact O-N 3.12Å; G152-K240 VanDerWaalsContact O-CE 3.23Å; G152-K240 WeakPolarHBondContact O-CE 3.15Å; G152-K240 PolarHBondContact O-NZ 2.63Å |
| 153 | V | 97.6 | Very high | 94 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.006 | 7% | 0.071 | C | C | . | . | P | Polyproline II helix | trans | -73.7 | 138.8 | 175 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | W125 D129 V131 L148 A149 V151 | W125-V153 HydrophobicContact CB-CG2 3.78Å; D129-V153 HydrophobicContact CB-CG1 4.43Å; D129-V153 HydrophobicContact CB-CG2 4.49Å; D129-V153 WeakPolarHBondContact O-CG1 3.45Å; V131-V153 HydrophobicContact CB-CG1 4.49Å; V131-V153 HydrophobicContact CG2-CG1 3.73Å; L148-V153 CarbonylContact C-O 3.55Å; L148-V153 HydrophobicContact CB-CB 4.1Å; L148-V153 HydrophobicContact CB-CG1 4.22Å; L148-V153 HydrophobicContact CD2-CB 4.12Å; L148-V153 HydrophobicContact CD2-CG1 3.69Å; L148-V153 HydrophobicContact CG-CG1 4.46Å; L148-V153 PolarHBondContact O-N 2.94Å; L148-V153 VanDerWaalsContact O-O 3.12Å; A149-V153 WeakPolarHBondContact CA-O 3.37Å; A149-V153 PolarHBondContact N-O 3.44Å; V151-V153 VanDerWaalsContact C-N 3.25Å; V151-V153 HydrophobicContact CG2-CB 4.38Å; V151-V153 HydrophobicContact CG2-CG2 3.93Å; V151-V153 PolarHBondContact O-N 3.25Å |
| 154 | E | 97.9 | Very high | 93.3 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 2% | 0.023 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 143 | -176.6 | -60.3 | 169.7 | 177.4 | 0 | 0 | 109.9 | D129 V130 V131 K240 R245 | D129-E154 PolarHBondContact O-N 3.43Å; V130-E154 CarbonylContact C-O 3.49Å; V130-E154 VanDerWaalsContact CA-O 3.3Å; V130-E154 WeakPolarHBondContact CA-O 3.18Å; V130-E154 HydrophobicContact CG2-CB 4.31Å; V131-E154 PolarHBondContact N-O 3.24Å; E154-K240 IonicContact OE1-NZ 2.75Å; E154-K240 PolarHBondContact OE1-NZ 3.33Å; E154-R245 HydrophobicContact CG-CG 4.36Å; E154-R245 IonicContact OE1-CZ 3.93Å; E154-R245 IonicContact OE1-NE 3.85Å; E154-R245 PolarHBondContact OE1-NE 2.82Å; E154-R245 IonicContact OE1-NH2 2.75Å; E154-R245 PolarHBondContact OE1-NH2 3.12Å; E154-R245 VanDerWaalsContact OE1-NH2 3.12Å; E154-R245 VanDerWaalsContact OE2-CD 3.26Å; E154-R245 WeakPolarHBondContact OE2-CD 3.43Å; E154-R245 IonicContact OE2-CZ 2.66Å; E154-R245 IonicContact OE2-NE 3.96Å; E154-R245 PolarHBondContact OE2-NE 2.96Å; E154-R245 IonicContact OE2-NH2 3.38Å; E154-R245 PolarHBondContact OE2-NH2 3.3Å |
| 155 | A | 98.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 146.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V131 L133 W145 L148 L157 F247 Y248 | V131-A155 CarbonylContact O-C 3.6Å; V131-A155 WeakPolarHBondContact O-CA 3.36Å; L133-A155 HydrophobicContact CD1-CB 3.96Å; L133-A155 HydrophobicContact CG-CB 4.22Å; W145-A155 HydrophobicContact CB-CB 3.69Å; L148-A155 HydrophobicContact CD1-CB 4.22Å; A155-L157 HydrophobicContact CB-CD2 3.83Å; A155-F247 HydrophobicContact CB-CB 3.91Å; A155-F247 CarbonylContact O-C 3.52Å; A155-F247 WeakPolarHBondContact O-CA 3.21Å; A155-F247 WeakPolarHBondContact O-CB 3.46Å; A155-Y248 PolarHBondContact O-N 3.25Å |
| 156 | A | 98.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 109.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | V130 V131 A132 L133 I158 Y248 Y250 | V130-A156 HydrophobicContact CG1-CB 3.88Å; V131-A156 PolarHBondContact O-N 2.97Å; A132-A156 WeakPolarHBondContact CA-O 3.47Å; L133-A156 PolarHBondContact N-O 3.16Å; A156-I158 PolarHBondContact O-N 3.1Å; A156-Y248 HydrophobicContact CB-CD2 4.23Å; A156-Y250 HydrophobicContact CB-CE2 4.12Å |
| 157 | L | 98.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 98 | -172 | -52.3 | -172.5 | 0 | 0 | 0 | 110.5 | L133 W145 A155 F247 Y248 I249 Y250 | L133-L157 HydrophobicContact CB-CD2 4.29Å; L133-L157 HydrophobicContact CD1-CD2 3.81Å; L133-L157 HydrophobicContact CG-CD2 4.34Å; W145-L157 HydrophobicContact CB-CD2 4.42Å; A155-L157 HydrophobicContact CB-CD2 3.83Å; L157-F247 HydrophobicContact CD1-CD1 4.27Å; L157-F247 HydrophobicContact CD1-CD2 3.95Å; L157-F247 HydrophobicContact CD1-CE1 4.33Å; L157-F247 HydrophobicContact CD1-CE2 4.02Å; L157-F247 HydrophobicContact CD1-CG 4.1Å; L157-F247 HydrophobicContact CD1-CZ 4.2Å; L157-F247 HydrophobicContact CG-CB 4.44Å; L157-F247 HydrophobicContact CG-CD2 4.37Å; L157-F247 HydrophobicContact CG-CG 4.32Å; L157-Y248 WeakPolarHBondContact CB-O 3.38Å; L157-Y248 WeakPolarHBondContact CG-O 3.12Å; L157-Y248 PolarHBondContact N-O 3.02Å; L157-I249 HydrophobicContact CB-CG1 4.5Å; L157-I249 HydrophobicContact CD1-CD1 4.44Å; L157-I249 HydrophobicContact CD1-CG1 3.99Å; L157-Y250 VanDerWaalsContact O-CD2 3.28Å; L157-Y250 WeakPolarHBondContact O-CD2 3.35Å |
| 158 | I | 94.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -89.4 | 137.9 | -171.6 | -57.8 | -174.5 | 0 | 0 | 0 | 110.8 | A132 L133 F134 A156 F160 L162 L167 C170 I171 Y250 Y294 | A132-I158 HydrophobicContact CB-CD1 3.66Å; A132-I158 HydrophobicContact CB-CG1 4.4Å; L133-I158 PolarHBondContact O-N 3.42Å; F134-I158 HydrophobicContact CB-CB 4.37Å; F134-I158 HydrophobicContact CD2-CB 4Å; F134-I158 HydrophobicContact CD2-CG2 3.59Å; F134-I158 HydrophobicContact CE2-CG2 4.11Å; A156-I158 PolarHBondContact O-N 3.1Å; I158-F160 PolarHBondContact O-N 2.96Å; I158-L162 HydrophobicContact CG2-CD1 4.11Å; I158-L167 HydrophobicContact CD1-CD1 4.44Å; I158-L167 HydrophobicContact CG2-CD1 3.76Å; I158-C170 HydrophobicContact CD1-CB 4.1Å; I158-C170 HydrophobicContact CG1-CB 4.31Å; I158-C170 HydrophobicContact CG2-CB 4.27Å; I158-I171 HydrophobicContact CD1-CG1 3.76Å; I158-Y250 HydrophobicContact CG1-CE2 3.92Å; I158-Y294 WeakPolarHBondContact O-CB 3.07Å | ||
| 159 | N | 87.4 | Confident | 89.8 | Confident | 32 Ų | 32 | 29.1 Ų | 29.1 | 17% | 0.171 | 16% | 0.157 | C | C | . | . | trans | -64 | 114.8 | 171.5 | 174.9 | -0.3 | 0 | 0 | 0 | 110.7 | F134 S161 L162 Y294 | F134-N159 WeakPolarHBondContact CE2-O 3.31Å; N159-S161 PolarHBondContact O-N 2.71Å; N159-S161 VanDerWaalsContact O-N 3.08Å; N159-S161 WeakPolarHBondContact OD1-CB 3.18Å; N159-S161 PolarHBondContact OD1-N 2.72Å; N159-S161 PolarHBondContact OD1-OG 2.62Å; N159-L162 HydrophobicContact CB-CD1 4.07Å; N159-L162 HydrophobicContact CB-CG 3.95Å; N159-L162 WeakPolarHBondContact O-CB 3.32Å; N159-L162 WeakPolarHBondContact O-CG 3.48Å; N159-L162 PolarHBondContact O-N 3.02Å; N159-Y294 HydrophobicContact CB-CD1 4.42Å; N159-Y294 HydrophobicContact CB-CD2 3.94Å; N159-Y294 HydrophobicContact CB-CE1 4.07Å; N159-Y294 HydrophobicContact CB-CE2 3.63Å; N159-Y294 HydrophobicContact CB-CG 4.35Å; N159-Y294 VanDerWaalsContact CG-OH 3.26Å; N159-Y294 WeakPolarHBondContact OD1-CE1 3.46Å; N159-Y294 VanDerWaalsContact OD1-CZ 3.22Å; N159-Y294 PolarHBondContact OD1-OH 3.41Å | ||
| 160 | F | 85.9 | Confident | 89.3 | Confident | 29 Ų | 29 | 28.9 Ų | 28.9 | 13% | 0.127 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -14.6 | -177.7 | 55.1 | -111.7 | 0 | 0 | 0 | 115.1 | F134 E136 I158 L162 R163 L185 P292 Y294 | F134-F160 VanDerWaalsContact CE2-CA 3.41Å; F134-F160 HydrophobicContact CE2-CB 4.45Å; E136-F160 HydrophobicContact CB-CD1 4.45Å; E136-F160 HydrophobicContact CG-CB 4.41Å; E136-F160 HydrophobicContact CG-CD1 4.25Å; E136-F160 HydrophobicContact CG-CD2 4.1Å; E136-F160 HydrophobicContact CG-CE2 4.43Å; E136-F160 HydrophobicContact CG-CG 4.03Å; I158-F160 PolarHBondContact O-N 2.96Å; F160-L162 VanDerWaalsContact C-N 3.33Å; F160-R163 PolarHBondContact O-NH1 3.49Å; F160-L185 HydrophobicContact CB-CD1 3.62Å; F160-L185 HydrophobicContact CB-CD2 4.25Å; F160-L185 WeakPolarHBondContact O-CD2 3.27Å; F160-P292 HydrophobicContact CE1-CB 4.08Å; F160-P292 HydrophobicContact CZ-CB 4.43Å; F160-Y294 AromaticContact CD1-CD1 3.5Å; F160-Y294 HydrophobicContact CD1-CD1 3.5Å; F160-Y294 AromaticContact CD1-CE1 3.47Å; F160-Y294 HydrophobicContact CD1-CE1 3.47Å; F160-Y294 VanDerWaalsContact CD1-CE1 3.47Å; F160-Y294 AromaticContact CE1-CD1 3.68Å; F160-Y294 HydrophobicContact CE1-CD1 3.68Å; F160-Y294 AromaticContact CE1-CE1 3.39Å; F160-Y294 HydrophobicContact CE1-CE1 3.39Å; F160-Y294 HydrophobicContact CE2-CE1 4.47Å; F160-Y294 HydrophobicContact CG-CD1 4.35Å; F160-Y294 HydrophobicContact CG-CE1 4.08Å; F160-Y294 AromaticContact CZ-CE1 3.92Å; F160-Y294 HydrophobicContact CZ-CE1 3.92Å |
| 161 | S | 78.8 | Confident | 89.3 | Confident | 65 Ų | 65 | 28 Ų | 28 | 46% | 0.455 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -8.9 | 175.3 | -53.9 | 0 | 0 | 0 | 0 | 113.7 | N159 | N159-S161 PolarHBondContact O-N 2.71Å; N159-S161 VanDerWaalsContact O-N 3.08Å; N159-S161 WeakPolarHBondContact OD1-CB 3.18Å; N159-S161 PolarHBondContact OD1-N 2.72Å; N159-S161 PolarHBondContact OD1-OG 2.62Å |
| 162 | L | 78.8 | Confident | 89.2 | Confident | 27 Ų | 27 | 30 Ų | 30 | 14% | 0.141 | 17% | 0.172 | C | C | . | . | trans | -70.7 | 148.8 | 179.2 | -62 | 178.5 | 0 | 0 | 0 | 111.4 | I158 N159 F160 P166 L167 C170 P258 | I158-L162 HydrophobicContact CG2-CD1 4.11Å; N159-L162 HydrophobicContact CB-CD1 4.07Å; N159-L162 HydrophobicContact CB-CG 3.95Å; N159-L162 WeakPolarHBondContact O-CB 3.32Å; N159-L162 WeakPolarHBondContact O-CG 3.48Å; N159-L162 PolarHBondContact O-N 3.02Å; F160-L162 VanDerWaalsContact C-N 3.33Å; L162-P166 HydrophobicContact CD2-CB 3.96Å; L162-L167 HydrophobicContact CB-CB 4.12Å; L162-C170 WeakPolarHBondContact CD1-SG 3.29Å; L162-P258 HydrophobicContact CD1-CG 4.23Å | ||
| 163 | R | 80.2 | Confident | 89 | Confident | 96 Ų | 96 | 32 Ų | 32 | 36% | 0.362 | 19% | 0.185 | S | C | . | . | trans | -138.7 | 162.6 | -179.7 | -64.1 | -63.4 | -178.8 | -93.1 | 6.3 | 108.8 | F160 D165 P166 L167 A188 E191 | F160-R163 PolarHBondContact O-NH1 3.49Å; R163-D165 PolarHBondContact O-N 3.28Å; R163-P166 VanDerWaalsContact O-CD 3.22Å; R163-P166 WeakPolarHBondContact O-CD 3.39Å; R163-L167 PolarHBondContact O-N 2.93Å; R163-A188 VanDerWaalsContact CD-CB 3.48Å; R163-E191 WeakPolarHBondContact CB-OE2 3.36Å; R163-E191 VanDerWaalsContact CD-OE2 3.26Å; R163-E191 WeakPolarHBondContact CD-OE2 3.41Å | ||
| 164 | C | 83.1 | Confident | 88.7 | Confident | 59 Ų | 59 | 32 Ų | 32 | 40% | 0.399 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | 43.5 | -132.4 | 172 | -53.2 | 0 | 0 | 0 | 0 | 114.7 | L167 L168 | C164-L167 WeakPolarHBondContact O-CB 3.28Å; C164-L167 PolarHBondContact O-N 3.21Å; C164-L168 PolarHBondContact O-N 2.76Å |
| 165 | D | 79.4 | Confident | 88.6 | Confident | 119 Ų | 119 | 39.8 Ų | 39.8 | 64% | 0.636 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -56.8 | -44.3 | -174.1 | -62.3 | -20 | 0 | 0 | 0 | 114.4 | R163 L167 L168 H169 | R163-D165 PolarHBondContact O-N 3.28Å; D165-L167 VanDerWaalsContact C-N 3.26Å; D165-L167 PolarHBondContact O-N 2.88Å; D165-L168 PolarHBondContact O-N 3.03Å; D165-H169 WeakPolarHBondContact O-CB 3.5Å; D165-H169 PolarHBondContact O-N 2.87Å |
| 166 | P | 78.8 | Confident | 88.5 | Confident | 47 Ų | 47 | 40 Ų | 40 | 31% | 0.305 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -56 | -37.1 | 173 | -29.2 | 33.6 | 0 | 0 | 0 | 114.5 | L162 R163 C170 | L162-P166 HydrophobicContact CD2-CB 3.96Å; R163-P166 VanDerWaalsContact O-CD 3.22Å; R163-P166 WeakPolarHBondContact O-CD 3.39Å; P166-C170 PolarHBondContact O-N 2.94Å; P166-C170 VanDerWaalsContact O-N 3.16Å; P166-C170 PolarHBondContact O-SG 3.04Å |
| 167 | L | 85.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.1 | -49.5 | 177.1 | 177 | 58.3 | 0 | 0 | 0 | 110.7 | F134 I158 L162 R163 C164 D165 H169 C170 I171 A188 M189 I192 | F134-L167 HydrophobicContact CD1-CD1 4.42Å; F134-L167 HydrophobicContact CD2-CD1 3.85Å; F134-L167 HydrophobicContact CE1-CD1 4.27Å; F134-L167 HydrophobicContact CE1-CD2 3.84Å; F134-L167 HydrophobicContact CE2-CD1 3.66Å; F134-L167 HydrophobicContact CE2-CD2 4.36Å; F134-L167 HydrophobicContact CG-CD1 4.22Å; F134-L167 HydrophobicContact CZ-CD1 3.91Å; F134-L167 HydrophobicContact CZ-CD2 3.75Å; F134-L167 HydrophobicContact CZ-CG 4.47Å; I158-L167 HydrophobicContact CD1-CD1 4.44Å; I158-L167 HydrophobicContact CG2-CD1 3.76Å; L162-L167 HydrophobicContact CB-CB 4.12Å; R163-L167 PolarHBondContact O-N 2.93Å; C164-L167 WeakPolarHBondContact O-CB 3.28Å; C164-L167 PolarHBondContact O-N 3.21Å; D165-L167 VanDerWaalsContact C-N 3.26Å; D165-L167 PolarHBondContact O-N 2.88Å; L167-H169 VanDerWaalsContact C-N 3.28Å; L167-H169 PolarHBondContact O-N 3.16Å; L167-C170 PolarHBondContact O-N 3.36Å; L167-C170 VanDerWaalsContact O-N 3.13Å; L167-I171 HydrophobicContact CD1-CD1 4.3Å; L167-I171 HydrophobicContact CG-CD1 4.26Å; L167-I171 WeakPolarHBondContact O-CG1 3.44Å; L167-I171 PolarHBondContact O-N 2.83Å; L167-I171 VanDerWaalsContact O-N 3.14Å; L167-A188 HydrophobicContact CD2-CB 4.47Å; L167-M189 HydrophobicContact CD2-SD 4.46Å; L167-I192 HydrophobicContact CD2-CD1 3.65Å; L167-I192 HydrophobicContact CD2-CG1 4.24Å; L167-I192 HydrophobicContact CD2-CG2 4.43Å; L167-I192 HydrophobicContact CG-CD1 3.82Å |
| 168 | L | 89 | Confident | 88.4 | Confident | 35 Ų | 35 | 45.9 Ų | 45.9 | 18% | 0.183 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.6 | -44.3 | 174.9 | -76.1 | 167.6 | 0 | 0 | 0 | 111.9 | C164 D165 C170 I171 G172 I192 I196 | C164-L168 PolarHBondContact O-N 2.76Å; D165-L168 PolarHBondContact O-N 3.03Å; L168-C170 VanDerWaalsContact C-N 3.34Å; L168-C170 PolarHBondContact O-N 2.79Å; L168-I171 PolarHBondContact O-N 3.47Å; L168-G172 PolarHBondContact O-N 3.4Å; L168-I192 HydrophobicContact CD1-CB 4.16Å; L168-I192 HydrophobicContact CD1-CG2 4.01Å; L168-I192 HydrophobicContact CD2-CB 3.83Å; L168-I192 HydrophobicContact CD2-CD1 4Å; L168-I192 HydrophobicContact CD2-CG1 4.46Å; L168-I192 HydrophobicContact CD2-CG2 4.34Å; L168-I192 HydrophobicContact CG-CB 3.82Å; L168-I192 HydrophobicContact CG-CD1 4.32Å; L168-I192 HydrophobicContact CG-CG2 3.76Å; L168-I196 HydrophobicContact CD2-CB 3.85Å; L168-I196 HydrophobicContact CD2-CG1 4.4Å |
| 169 | H | 87.1 | Confident | 88.7 | Confident | 59 Ų | 59 | 45.9 Ų | 45.9 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.5 | -45.3 | 176.9 | 178.9 | 75.7 | 0 | 0 | 0 | 111.7 | D165 L167 I171 G172 V173 L257 P258 | D165-H169 WeakPolarHBondContact O-CB 3.5Å; D165-H169 PolarHBondContact O-N 2.87Å; L167-H169 VanDerWaalsContact C-N 3.28Å; L167-H169 PolarHBondContact O-N 3.16Å; H169-I171 PolarHBondContact O-N 3.37Å; H169-G172 PolarHBondContact O-N 2.99Å; H169-V173 WeakPolarHBondContact CE1-CG2 3.45Å; H169-V173 WeakPolarHBondContact NE2-CG2 3.41Å; H169-V173 WeakPolarHBondContact O-CB 3.44Å; H169-V173 VanDerWaalsContact O-CG2 3.3Å; H169-V173 WeakPolarHBondContact O-CG2 3.49Å; H169-V173 PolarHBondContact O-N 3.4Å; H169-L257 HydrophobicContact CB-CD2 4.4Å; H169-P258 PolarHBondContact CD2-O 3.24Å; H169-P258 PolarHBondContact NE2-O 2.82Å |
| 170 | C | 88.6 | Confident | 89.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 179.1 | -69.9 | 0 | 0 | 0 | 0 | 111.3 | I158 L162 P166 L167 L168 G172 S174 Y250 | I158-C170 HydrophobicContact CD1-CB 4.1Å; I158-C170 HydrophobicContact CG1-CB 4.31Å; I158-C170 HydrophobicContact CG2-CB 4.27Å; L162-C170 WeakPolarHBondContact CD1-SG 3.29Å; P166-C170 PolarHBondContact O-N 2.94Å; P166-C170 VanDerWaalsContact O-N 3.16Å; P166-C170 PolarHBondContact O-SG 3.04Å; L167-C170 PolarHBondContact O-N 3.36Å; L167-C170 VanDerWaalsContact O-N 3.13Å; L168-C170 VanDerWaalsContact C-N 3.34Å; L168-C170 PolarHBondContact O-N 2.79Å; C170-G172 PolarHBondContact O-N 2.79Å; C170-S174 PolarHBondContact O-N 3.36Å; C170-S174 PolarHBondContact O-OG 3.02Å; C170-Y250 HydrophobicContact CB-CD1 4.01Å; C170-Y250 HydrophobicContact CB-CE1 3.56Å; C170-Y250 HydrophobicContact CB-CE2 4.4Å; C170-Y250 PolarHBondContact O-OH 3.04Å; C170-Y250 VanDerWaalsContact SG-CD1 3.57Å |
| 171 | I | 95.3 | Very high | 89.8 | Confident | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.2 | -49.8 | 177.7 | -62 | 167.9 | 0 | 0 | 0 | 109.8 | I158 L167 L168 H169 S174 E175 S176 I179 I192 I196 | I158-I171 HydrophobicContact CD1-CG1 3.76Å; L167-I171 HydrophobicContact CD1-CD1 4.3Å; L167-I171 HydrophobicContact CG-CD1 4.26Å; L167-I171 WeakPolarHBondContact O-CG1 3.44Å; L167-I171 PolarHBondContact O-N 2.83Å; L167-I171 VanDerWaalsContact O-N 3.14Å; L168-I171 PolarHBondContact O-N 3.47Å; H169-I171 PolarHBondContact O-N 3.37Å; I171-S174 PolarHBondContact O-N 3.22Å; I171-S174 PolarHBondContact O-OG 2.94Å; I171-E175 PolarHBondContact O-N 3.42Å; I171-S176 PolarHBondContact O-N 2.83Å; I171-I179 HydrophobicContact CD1-CD1 3.72Å; I171-I179 HydrophobicContact CG1-CD1 4.17Å; I171-I192 HydrophobicContact CD1-CD1 3.83Å; I171-I196 HydrophobicContact CD1-CD1 3.8Å; I171-I196 HydrophobicContact CD1-CG1 4.5Å; I171-I196 HydrophobicContact CG2-CD1 4.5Å |
| 172 | G | 93.8 | Very high | 90.7 | Very high | 48 Ų | 48 | 39.9 Ų | 39.9 | 50% | 0.495 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.6 | -46 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | L168 H169 C170 S174 E175 | L168-G172 PolarHBondContact O-N 3.4Å; H169-G172 PolarHBondContact O-N 2.99Å; C170-G172 PolarHBondContact O-N 2.79Å; G172-S174 PolarHBondContact O-N 2.96Å; G172-E175 PolarHBondContact O-N 3.01Å |
| 173 | V | 91.9 | Very high | 91.6 | Very high | 42 Ų | 42 | 39.5 Ų | 39.5 | 26% | 0.255 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.6 | -28.4 | -178 | 166.6 | 0 | 0 | 0 | 0 | 112.9 | H169 E175 A260 A469 | H169-V173 WeakPolarHBondContact CE1-CG2 3.45Å; H169-V173 WeakPolarHBondContact NE2-CG2 3.41Å; H169-V173 WeakPolarHBondContact O-CB 3.44Å; H169-V173 VanDerWaalsContact O-CG2 3.3Å; H169-V173 WeakPolarHBondContact O-CG2 3.49Å; H169-V173 PolarHBondContact O-N 3.4Å; V173-E175 VanDerWaalsContact C-N 3.34Å; V173-A260 HydrophobicContact CG1-CB 3.89Å; V173-A469 HydrophobicContact CG1-CB 4.22Å |
| 174 | S | 92.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -4.7 | 176.1 | 65 | 0 | 0 | 0 | 0 | 114 | V130 C170 I171 G172 S176 Y250 | V130-S174 WeakPolarHBondContact CG2-O 3.26Å; C170-S174 PolarHBondContact O-N 3.36Å; C170-S174 PolarHBondContact O-OG 3.02Å; I171-S174 PolarHBondContact O-N 3.22Å; I171-S174 PolarHBondContact O-OG 2.94Å; G172-S174 PolarHBondContact O-N 2.96Å; S174-S176 PolarHBondContact O-N 2.98Å; S174-S176 PolarHBondContact OG-OG 2.99Å; S174-Y250 VanDerWaalsContact CB-OH 3.24Å; S174-Y250 WeakPolarHBondContact CB-OH 3.45Å; S174-Y250 PolarHBondContact OG-OH 3.05Å |
| 175 | E | 94.6 | Very high | 92.8 | Very high | 167 Ų | 167 | 35 Ų | 35 | 78% | 0.78 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 40.8 | -174.4 | -60 | 177.5 | -179.1 | 0 | 0 | 112 | I171 G172 V173 R177 | I171-E175 PolarHBondContact O-N 3.42Å; G172-E175 PolarHBondContact O-N 3.01Å; V173-E175 VanDerWaalsContact C-N 3.34Å; E175-R177 PolarHBondContact O-N 3.12Å |
| 176 | S | 97.1 | Very high | 93.6 | Very high | 7 Ų | 7 | 29.4 Ų | 29.4 | 5% | 0.049 | 16% | 0.157 | C | C | . | . | trans | -61.9 | 128.5 | -175.9 | -76.2 | 0 | 0 | 0 | 0 | 111.8 | V130 A132 I171 S174 | V130-S176 CarbonylContact O-C 3.57Å; V130-S176 WeakPolarHBondContact O-CA 3.39Å; A132-S176 WeakPolarHBondContact CB-OG 3.21Å; A132-S176 PolarHBondContact N-OG 3.3Å; I171-S176 PolarHBondContact O-N 2.83Å; S174-S176 PolarHBondContact O-N 2.98Å; S174-S176 PolarHBondContact OG-OG 2.99Å | ||
| 177 | R | 97.2 | Very high | 94.2 | Very high | 123 Ų | 123 | 31.8 Ų | 31.8 | 46% | 0.464 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -79.1 | -25.4 | 173.6 | -68.8 | -165 | 171.4 | -167.7 | -7.5 | 113.2 | D129 V130 E175 V200 V201 | D129-R177 VanDerWaalsContact CG-CD 3.46Å; D129-R177 VanDerWaalsContact CG-NH1 3.27Å; D129-R177 IonicContact OD1-CZ 3.67Å; D129-R177 IonicContact OD1-NE 3.7Å; D129-R177 PolarHBondContact OD1-NE 2.78Å; D129-R177 IonicContact OD1-NH1 3.51Å; D129-R177 PolarHBondContact OD1-NH1 3.3Å; D129-R177 VanDerWaalsContact OD1-NH1 3.15Å; D129-R177 IonicContact OD1-NH2 3.7Å; D129-R177 PolarHBondContact OD1-NH2 3.45Å; D129-R177 IonicContact OD2-CZ 2.76Å; D129-R177 IonicContact OD2-NE 3.17Å; D129-R177 IonicContact OD2-NH1 3.01Å; D129-R177 PolarHBondContact OD2-NH1 3.48Å; V130-R177 PolarHBondContact O-N 3.17Å; E175-R177 PolarHBondContact O-N 3.12Å; R177-V200 WeakPolarHBondContact O-CA 3.06Å; R177-V201 PolarHBondContact O-N 3.41Å |
| 178 | A | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 162.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | W125 V131 A132 V201 | W125-A178 HydrophobicContact CH2-CB 3.42Å; W125-A178 VanDerWaalsContact CH2-CB 3.42Å; W125-A178 HydrophobicContact CZ2-CB 3.29Å; W125-A178 HydrophobicContact CZ3-CB 4.43Å; V131-A178 WeakPolarHBondContact CA-O 3.49Å; V131-A178 HydrophobicContact CG1-CB 4.32Å; V131-A178 HydrophobicContact CG2-CB 4.36Å; A132-A178 PolarHBondContact N-O 3.06Å; A178-V201 CarbonylContact C-O 3.38Å; A178-V201 WeakPolarHBondContact CA-O 3.26Å; A178-V201 HydrophobicContact CB-CB 4.14Å; A178-V201 VanDerWaalsContact CB-O 3.28Å; A178-V201 WeakPolarHBondContact CB-O 3.34Å |
| 179 | I | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 128.8 | 171.1 | -176 | 164.1 | 0 | 0 | 0 | 109.8 | A132 F134 I171 M189 I196 V200 V201 R202 F203 | A132-I179 HydrophobicContact CB-CB 4.06Å; A132-I179 HydrophobicContact CB-CD1 4.27Å; A132-I179 HydrophobicContact CB-CG1 3.94Å; A132-I179 CarbonylContact O-C 3.13Å; A132-I179 WeakPolarHBondContact O-CA 3.41Å; F134-I179 HydrophobicContact CB-CD1 3.93Å; F134-I179 HydrophobicContact CB-CG1 4.26Å; I171-I179 HydrophobicContact CD1-CD1 3.72Å; I171-I179 HydrophobicContact CG1-CD1 4.17Å; I179-M189 HydrophobicContact CD1-CE 4.11Å; I179-M189 HydrophobicContact CD1-SD 3.77Å; I179-M189 HydrophobicContact CG2-CE 4.02Å; I179-I196 HydrophobicContact CG2-CD1 4.44Å; I179-V200 HydrophobicContact CB-CG1 4.41Å; I179-V200 HydrophobicContact CG2-CG1 4.05Å; I179-V201 PolarHBondContact N-O 3.48Å; I179-R202 HydrophobicContact CG2-CB 4.29Å; I179-R202 HydrophobicContact CG2-CG 3.87Å; I179-F203 PolarHBondContact O-N 3.45Å |
| 180 | V | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 117.3 | 165.7 | 179 | 0 | 0 | 0 | 0 | 107.4 | W119 V131 A132 L133 F134 L144 F203 T205 L221 | W119-V180 HydrophobicContact CH2-CG2 3.6Å; W119-V180 HydrophobicContact CZ2-CG2 4.34Å; W119-V180 HydrophobicContact CZ3-CG2 4.38Å; V131-V180 HydrophobicContact CG1-CG2 4.09Å; A132-V180 PolarHBondContact O-N 2.99Å; L133-V180 HydrophobicContact CD2-CB 3.94Å; L133-V180 HydrophobicContact CD2-CG2 4.22Å; F134-V180 PolarHBondContact N-O 2.83Å; L144-V180 HydrophobicContact CD1-CG1 3.85Å; L144-V180 HydrophobicContact CD2-CG1 4.45Å; V180-F203 CarbonylContact C-O 3.59Å; V180-F203 WeakPolarHBondContact CA-O 3.14Å; V180-F203 HydrophobicContact CG2-CB 4.17Å; V180-T205 HydrophobicContact CG1-CG2 4.33Å; V180-L221 HydrophobicContact CB-CD2 4.47Å; V180-L221 HydrophobicContact CG1-CD2 3.48Å; V180-L221 VanDerWaalsContact CG1-CD2 3.48Å; V180-L221 HydrophobicContact CG2-CD2 4.12Å |
| 181 | F | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 149.9 | 177.1 | 69.6 | -84.3 | 0 | 0 | 0 | 113 | F134 A186 M189 R202 F203 C204 T205 L216 A218 | F134-F181 HydrophobicContact CB-CB 4.34Å; F134-F181 HydrophobicContact CD1-CB 4.03Å; F134-F181 WeakPolarHBondContact O-CA 3.41Å; F134-F181 WeakPolarHBondContact O-CB 3.42Å; F181-A186 HydrophobicContact CE2-CB 4.44Å; F181-M189 HydrophobicContact CB-CG 4.04Å; F181-M189 HydrophobicContact CB-SD 4.38Å; F181-M189 HydrophobicContact CD1-CE 4.27Å; F181-M189 HydrophobicContact CD1-CG 4.01Å; F181-M189 HydrophobicContact CD1-SD 4.43Å; F181-M189 HydrophobicContact CD2-CB 4.48Å; F181-M189 HydrophobicContact CD2-CG 3.7Å; F181-M189 HydrophobicContact CE1-CG 4.42Å; F181-M189 HydrophobicContact CE2-CB 4.48Å; F181-M189 HydrophobicContact CE2-CG 4.15Å; F181-M189 HydrophobicContact CG-CG 3.64Å; F181-M189 HydrophobicContact CG-SD 4.35Å; F181-M189 HydrophobicContact CZ-CG 4.49Å; F181-R202 HydrophobicContact CE1-CB 4.3Å; F181-F203 WeakPolarHBondContact CD1-O 3.47Å; F181-F203 WeakPolarHBondContact CE1-O 3.37Å; F181-F203 PolarHBondContact N-O 3.26Å; F181-C204 HydrophobicContact CE1-CB 4.16Å; F181-C204 HydrophobicContact CE2-CB 3.94Å; F181-C204 HydrophobicContact CZ-CB 3.69Å; F181-C204 CarbonylContact O-C 3.56Å; F181-C204 VanDerWaalsContact O-CA 3.32Å; F181-C204 WeakPolarHBondContact O-CA 3.4Å; F181-T205 PolarHBondContact O-N 3.47Å; F181-L216 HydrophobicContact CE2-CD1 3.93Å; F181-L216 HydrophobicContact CZ-CD1 3.79Å; F181-A218 HydrophobicContact CE1-CB 3.76Å; F181-A218 HydrophobicContact CZ-CB 3.75Å |
| 182 | G | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 144.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F134 E184 L185 T205 | F134-G182 PolarHBondContact O-N 3.39Å; F134-G182 VanDerWaalsContact O-N 3.12Å; G182-E184 VanDerWaalsContact C-OE2 3.23Å; G182-E184 VanDerWaalsContact CA-OE2 3.27Å; G182-E184 WeakPolarHBondContact CA-OE2 3.4Å; G182-E184 PolarHBondContact O-N 3.5Å; G182-E184 VanDerWaalsContact O-N 3.08Å; G182-L185 PolarHBondContact O-N 2.76Å; G182-T205 CarbonylContact C-O 3.55Å; G182-T205 WeakPolarHBondContact CA-O 2.97Å |
| 183 | A | 97.4 | Very high | 94.9 | Very high | 18 Ų | 18 | 34 Ų | 34 | 15% | 0.149 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -53.1 | -30.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L185 A186 T205 L208 | A183-L185 PolarHBondContact O-N 2.82Å; A183-L185 VanDerWaalsContact O-N 3.15Å; A183-A186 WeakPolarHBondContact O-CB 3.47Å; A183-A186 PolarHBondContact O-N 2.8Å; A183-T205 PolarHBondContact N-O 2.95Å; A183-L208 HydrophobicContact CB-CB 4.28Å; A183-L208 HydrophobicContact CB-CD1 4.39Å |
| 184 | E | 94.3 | Very high | 94.9 | Very high | 58 Ų | 58 | 37.2 Ų | 37.2 | 27% | 0.271 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -66.1 | -9.7 | 175 | 76.6 | -73.1 | -178.6 | 0 | 0 | 114.6 | E136 R138 G182 | E136-E184 HydrophobicContact CB-CG 4.45Å; E136-E184 WeakPolarHBondContact CB-OE1 3.3Å; E136-E184 HydrophobicContact CG-CG 3.86Å; E136-E184 PolarHBondContact N-OE1 2.81Å; R138-E184 IonicContact CZ-OE1 2.63Å; R138-E184 IonicContact CZ-OE2 3.76Å; R138-E184 IonicContact NH2-OE1 2.73Å; R138-E184 PolarHBondContact NH2-OE1 3.48Å; R138-E184 IonicContact NH2-OE2 3.71Å; R138-E184 PolarHBondContact NH2-OE2 3.32Å; G182-E184 VanDerWaalsContact C-OE2 3.23Å; G182-E184 VanDerWaalsContact CA-OE2 3.27Å; G182-E184 WeakPolarHBondContact CA-OE2 3.4Å; G182-E184 PolarHBondContact O-N 3.5Å; G182-E184 VanDerWaalsContact O-N 3.08Å |
| 185 | L | 94.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -116.3 | 14.5 | 178.9 | -57.6 | 172.6 | 0 | 0 | 0 | 112.5 | F134 F160 G182 A183 D187 A188 M189 | F134-L185 HydrophobicContact CD1-CB 4.05Å; F134-L185 HydrophobicContact CD1-CD1 3.82Å; F134-L185 HydrophobicContact CD2-CD1 4.23Å; F134-L185 HydrophobicContact CE1-CB 3.64Å; F134-L185 HydrophobicContact CE1-CD1 3.8Å; F134-L185 HydrophobicContact CE1-CG 4.21Å; F134-L185 HydrophobicContact CE2-CD1 4.24Å; F134-L185 HydrophobicContact CG-CD1 4.04Å; F134-L185 HydrophobicContact CZ-CB 4.31Å; F134-L185 HydrophobicContact CZ-CD1 4.01Å; F134-L185 HydrophobicContact CZ-CD2 4.48Å; F134-L185 HydrophobicContact CZ-CG 4.5Å; F134-L185 VanDerWaalsContact O-CD1 3.24Å; F134-L185 WeakPolarHBondContact O-CD1 3.49Å; F160-L185 HydrophobicContact CB-CD1 3.62Å; F160-L185 HydrophobicContact CB-CD2 4.25Å; F160-L185 WeakPolarHBondContact O-CD2 3.27Å; G182-L185 PolarHBondContact O-N 2.76Å; A183-L185 PolarHBondContact O-N 2.82Å; A183-L185 VanDerWaalsContact O-N 3.15Å; L185-D187 VanDerWaalsContact C-N 3.25Å; L185-D187 PolarHBondContact O-N 3Å; L185-A188 WeakPolarHBondContact O-CB 3.26Å; L185-A188 PolarHBondContact O-N 3.46Å; L185-M189 PolarHBondContact O-N 2.94Å; L185-M189 VanDerWaalsContact O-N 3.12Å |
| 186 | A | 96.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.8 | -35 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | F181 A183 M189 L190 L208 R212 L216 | F181-A186 HydrophobicContact CE2-CB 4.44Å; A183-A186 WeakPolarHBondContact O-CB 3.47Å; A183-A186 PolarHBondContact O-N 2.8Å; A186-M189 PolarHBondContact O-N 3.16Å; A186-L190 WeakPolarHBondContact O-CG 3.25Å; A186-L190 PolarHBondContact O-N 3.04Å; A186-L208 HydrophobicContact CB-CD1 3.82Å; A186-L208 HydrophobicContact CB-CD2 4.11Å; A186-R212 VanDerWaalsContact CB-NH2 3.28Å; A186-L216 HydrophobicContact CB-CD1 3.99Å |
| 187 | D | 90.8 | Very high | 94.6 | Very high | 96 Ų | 96 | 36.1 Ų | 36.1 | 51% | 0.513 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.1 | -44.1 | 177.2 | -61.4 | -26.1 | 0 | 0 | 0 | 111.8 | L185 M189 L190 E191 R212 | L185-D187 VanDerWaalsContact C-N 3.25Å; L185-D187 PolarHBondContact O-N 3Å; D187-M189 PolarHBondContact O-N 3.18Å; D187-L190 WeakPolarHBondContact O-CB 3.36Å; D187-L190 PolarHBondContact O-N 2.69Å; D187-E191 WeakPolarHBondContact O-CG 3.2Å; D187-E191 PolarHBondContact O-N 2.85Å; D187-R212 IonicContact OD1-CZ 2.65Å; D187-R212 IonicContact OD1-NH1 3.83Å; D187-R212 IonicContact OD1-NH2 3.22Å; D187-R212 PolarHBondContact OD1-NH2 3.07Å |
| 188 | A | 87 | Confident | 94.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61 | -34.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F134 R163 L167 L185 | F134-A188 HydrophobicContact CE1-CB 3.92Å; F134-A188 HydrophobicContact CZ-CB 3.97Å; R163-A188 VanDerWaalsContact CD-CB 3.48Å; L167-A188 HydrophobicContact CD2-CB 4.47Å; L185-A188 WeakPolarHBondContact O-CB 3.26Å; L185-A188 PolarHBondContact O-N 3.46Å |
| 189 | M | 96.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.6 | -35.8 | 174.3 | -72.3 | -59.4 | -56.5 | 0 | 0 | 112.3 | F134 L167 I179 F181 L185 A186 D187 I192 N193 I196 L216 | F134-M189 HydrophobicContact CD1-CG 4.35Å; F134-M189 HydrophobicContact CD1-SD 4.02Å; F134-M189 HydrophobicContact CE1-CG 4.38Å; F134-M189 HydrophobicContact CE1-SD 4.28Å; L167-M189 HydrophobicContact CD2-SD 4.46Å; I179-M189 HydrophobicContact CD1-CE 4.11Å; I179-M189 HydrophobicContact CD1-SD 3.77Å; I179-M189 HydrophobicContact CG2-CE 4.02Å; F181-M189 HydrophobicContact CB-CG 4.04Å; F181-M189 HydrophobicContact CB-SD 4.38Å; F181-M189 HydrophobicContact CD1-CE 4.27Å; F181-M189 HydrophobicContact CD1-CG 4.01Å; F181-M189 HydrophobicContact CD1-SD 4.43Å; F181-M189 HydrophobicContact CD2-CB 4.48Å; F181-M189 HydrophobicContact CD2-CG 3.7Å; F181-M189 HydrophobicContact CE1-CG 4.42Å; F181-M189 HydrophobicContact CE2-CB 4.48Å; F181-M189 HydrophobicContact CE2-CG 4.15Å; F181-M189 HydrophobicContact CG-CG 3.64Å; F181-M189 HydrophobicContact CG-SD 4.35Å; F181-M189 HydrophobicContact CZ-CG 4.49Å; L185-M189 PolarHBondContact O-N 2.94Å; L185-M189 VanDerWaalsContact O-N 3.12Å; A186-M189 PolarHBondContact O-N 3.16Å; D187-M189 PolarHBondContact O-N 3.18Å; M189-I192 HydrophobicContact CE-CD1 4.29Å; M189-I192 WeakPolarHBondContact O-CG1 3.49Å; M189-I192 PolarHBondContact O-N 3.41Å; M189-I192 HydrophobicContact SD-CD1 4.18Å; M189-N193 PolarHBondContact O-N 2.9Å; M189-N193 VanDerWaalsContact O-N 3.09Å; M189-I196 HydrophobicContact CE-CD1 4.21Å; M189-L216 HydrophobicContact CB-CD2 3.62Å |
| 190 | L | 93.8 | Very high | 93.8 | Very high | 68 Ų | 68 | 41.5 Ų | 41.5 | 36% | 0.356 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.4 | -41.8 | 175.9 | -77.9 | 169.6 | 0 | 0 | 0 | 111.4 | A186 D187 I192 N193 A215 L216 | A186-L190 WeakPolarHBondContact O-CG 3.25Å; A186-L190 PolarHBondContact O-N 3.04Å; D187-L190 WeakPolarHBondContact O-CB 3.36Å; D187-L190 PolarHBondContact O-N 2.69Å; L190-I192 PolarHBondContact O-N 2.94Å; L190-I192 VanDerWaalsContact O-N 3.15Å; L190-N193 WeakPolarHBondContact O-CB 3.09Å; L190-N193 PolarHBondContact O-N 3.25Å; L190-N193 VanDerWaalsContact O-N 3.15Å; L190-A215 HydrophobicContact CD2-CB 4.33Å; L190-L216 HydrophobicContact CB-CD2 4.34Å; L190-L216 HydrophobicContact CD2-CD2 3.64Å; L190-L216 HydrophobicContact CD2-CG 3.81Å; L190-L216 HydrophobicContact CG-CD2 3.7Å; L190-L216 HydrophobicContact CG-CG 4.08Å |
| 191 | E | 88.9 | Confident | 93.8 | Very high | 92 Ų | 92 | 44 Ų | 44 | 43% | 0.43 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -54.6 | -32.4 | 177.4 | -71 | 166.1 | -163.7 | 0 | 0 | 113.2 | R163 D187 | R163-E191 WeakPolarHBondContact CB-OE2 3.36Å; R163-E191 VanDerWaalsContact CD-OE2 3.26Å; R163-E191 WeakPolarHBondContact CD-OE2 3.41Å; D187-E191 WeakPolarHBondContact O-CG 3.2Å; D187-E191 PolarHBondContact O-N 2.85Å |
| 192 | I | 92.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 0.7 | -176.9 | 66.8 | 158.8 | 0 | 0 | 0 | 113.5 | L167 L168 I171 M189 L190 S194 S195 I196 | L167-I192 HydrophobicContact CD2-CD1 3.65Å; L167-I192 HydrophobicContact CD2-CG1 4.24Å; L167-I192 HydrophobicContact CD2-CG2 4.43Å; L167-I192 HydrophobicContact CG-CD1 3.82Å; L168-I192 HydrophobicContact CD1-CB 4.16Å; L168-I192 HydrophobicContact CD1-CG2 4.01Å; L168-I192 HydrophobicContact CD2-CB 3.83Å; L168-I192 HydrophobicContact CD2-CD1 4Å; L168-I192 HydrophobicContact CD2-CG1 4.46Å; L168-I192 HydrophobicContact CD2-CG2 4.34Å; L168-I192 HydrophobicContact CG-CB 3.82Å; L168-I192 HydrophobicContact CG-CD1 4.32Å; L168-I192 HydrophobicContact CG-CG2 3.76Å; I171-I192 HydrophobicContact CD1-CD1 3.83Å; M189-I192 HydrophobicContact CE-CD1 4.29Å; M189-I192 WeakPolarHBondContact O-CG1 3.49Å; M189-I192 PolarHBondContact O-N 3.41Å; M189-I192 HydrophobicContact SD-CD1 4.18Å; L190-I192 PolarHBondContact O-N 2.94Å; L190-I192 VanDerWaalsContact O-N 3.15Å; I192-S194 VanDerWaalsContact C-N 3.28Å; I192-S194 PolarHBondContact O-N 3.39Å; I192-S195 PolarHBondContact O-N 3.41Å; I192-I196 HydrophobicContact CD1-CB 4.42Å; I192-I196 HydrophobicContact CD1-CD1 4.21Å; I192-I196 WeakPolarHBondContact O-CB 3.31Å; I192-I196 WeakPolarHBondContact O-CG2 3.24Å; I192-I196 PolarHBondContact O-N 2.84Å |
| 193 | N | 93.3 | Very high | 93.8 | Very high | 36 Ų | 36 | 44.3 Ų | 44.3 | 19% | 0.193 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -33.9 | -168.1 | -173.5 | 40.9 | 0 | 0 | 0 | 113.5 | M189 L190 R202 A215 | M189-N193 PolarHBondContact O-N 2.9Å; M189-N193 VanDerWaalsContact O-N 3.09Å; L190-N193 WeakPolarHBondContact O-CB 3.09Å; L190-N193 PolarHBondContact O-N 3.25Å; L190-N193 VanDerWaalsContact O-N 3.15Å; N193-R202 PolarHBondContact OD1-NH1 2.97Å; N193-A215 PolarHBondContact ND2-O 3.29Å |
| 194 | S | 91.9 | Very high | 93.8 | Very high | 109 Ų | 109 | 43.5 Ų | 43.5 | 76% | 0.762 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -24.9 | 176.8 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | I192 | I192-S194 VanDerWaalsContact C-N 3.28Å; I192-S194 PolarHBondContact O-N 3.39Å |
| 195 | S | 93.1 | Very high | 94 | Very high | 81 Ų | 81 | 40.9 Ų | 40.9 | 57% | 0.566 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -24.2 | -174.2 | -53.9 | 0 | 0 | 0 | 0 | 113.6 | I192 | I192-S195 PolarHBondContact O-N 3.41Š|
| 196 | I | 94 | Very high | 93.9 | Very high | 7 Ų | 7 | 42.1 Ų | 42.1 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -68.5 | 137.2 | 177 | -167.8 | 177.9 | 0 | 0 | 0 | 109.9 | L168 I171 I179 M189 I192 Q198 V200 R202 | L168-I196 HydrophobicContact CD2-CB 3.85Å; L168-I196 HydrophobicContact CD2-CG1 4.4Å; I171-I196 HydrophobicContact CD1-CD1 3.8Å; I171-I196 HydrophobicContact CD1-CG1 4.5Å; I171-I196 HydrophobicContact CG2-CD1 4.5Å; I179-I196 HydrophobicContact CG2-CD1 4.44Å; M189-I196 HydrophobicContact CE-CD1 4.21Å; I192-I196 HydrophobicContact CD1-CB 4.42Å; I192-I196 HydrophobicContact CD1-CD1 4.21Å; I192-I196 WeakPolarHBondContact O-CB 3.31Å; I192-I196 WeakPolarHBondContact O-CG2 3.24Å; I192-I196 PolarHBondContact O-N 2.84Å; I196-Q198 PolarHBondContact O-N 2.64Å; I196-V200 HydrophobicContact CD1-CB 4.42Å; I196-V200 HydrophobicContact CD1-CG1 4.24Å; I196-V200 HydrophobicContact CG1-CB 4.45Å; I196-R202 VanDerWaalsContact CG2-NH2 3.26Å |
| 197 | S | 91.4 | Very high | 93.7 | Very high | 65 Ų | 65 | 49.9 Ų | 49.9 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | trans | -56.7 | 134.2 | -179.2 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | S199 V200 | S197-S199 PolarHBondContact O-N 2.79Å; S197-S199 PolarHBondContact OG-N 3.41Å; S197-S199 PolarHBondContact OG-OG 3.41Å; S197-V200 WeakPolarHBondContact O-CB 3.25Å; S197-V200 PolarHBondContact O-N 3.33Å | ||
| 198 | Q | 89.5 | Confident | 93.8 | Very high | 133 Ų | 133 | 46.8 Ų | 46.8 | 62% | 0.621 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -18.1 | 178.9 | -63.1 | -60.2 | -41.6 | 0 | 0 | 112.8 | I196 V200 | I196-Q198 PolarHBondContact O-N 2.64Å; Q198-V200 VanDerWaalsContact C-N 3.26Å; Q198-V200 PolarHBondContact O-N 3.36Å |
| 199 | S | 92.1 | Very high | 94.2 | Very high | 92 Ų | 92 | 49.3 Ų | 49.3 | 64% | 0.643 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -16.4 | 173.3 | 63.9 | 0 | 0 | 0 | 0 | 113.7 | S197 V201 | S197-S199 PolarHBondContact O-N 2.79Å; S197-S199 PolarHBondContact OG-N 3.41Å; S197-S199 PolarHBondContact OG-OG 3.41Å; S199-V201 PolarHBondContact O-N 3.5Å |
| 200 | V | 96.6 | Very high | 94 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 7% | 0.067 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -81.1 | 109.7 | 178.7 | -177.2 | 0 | 0 | 0 | 0 | 109 | R177 I179 I196 S197 Q198 | R177-V200 WeakPolarHBondContact O-CA 3.06Å; I179-V200 HydrophobicContact CB-CG1 4.41Å; I179-V200 HydrophobicContact CG2-CG1 4.05Å; I196-V200 HydrophobicContact CD1-CB 4.42Å; I196-V200 HydrophobicContact CD1-CG1 4.24Å; I196-V200 HydrophobicContact CG1-CB 4.45Å; S197-V200 WeakPolarHBondContact O-CB 3.25Å; S197-V200 PolarHBondContact O-N 3.33Å; Q198-V200 VanDerWaalsContact C-N 3.26Å; Q198-V200 PolarHBondContact O-N 3.36Å |
| 201 | V | 97.4 | Very high | 94 | Very high | 51 Ų | 51 | 55.7 Ų | 55.7 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 138.2 | 177.3 | -169.4 | 0 | 0 | 0 | 0 | 109.9 | R177 A178 I179 S199 F203 | R177-V201 PolarHBondContact O-N 3.41Å; A178-V201 CarbonylContact C-O 3.38Å; A178-V201 WeakPolarHBondContact CA-O 3.26Å; A178-V201 HydrophobicContact CB-CB 4.14Å; A178-V201 VanDerWaalsContact CB-O 3.28Å; A178-V201 WeakPolarHBondContact CB-O 3.34Å; I179-V201 PolarHBondContact N-O 3.48Å; S199-V201 PolarHBondContact O-N 3.5Å; V201-F203 HydrophobicContact CB-CE2 4.06Å; V201-F203 HydrophobicContact CG1-CD2 4.19Å; V201-F203 HydrophobicContact CG1-CE2 3.4Å; V201-F203 HydrophobicContact CG1-CZ 3.76Å |
| 202 | R | 98 | Very high | 94.3 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 2% | 0.023 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 128.5 | -171.5 | -57.7 | 167.7 | -159.7 | 155.6 | 4.4 | 110.5 | I179 F181 N193 I196 L216 A218 Q219 | I179-R202 HydrophobicContact CG2-CB 4.29Å; I179-R202 HydrophobicContact CG2-CG 3.87Å; F181-R202 HydrophobicContact CE1-CB 4.3Å; N193-R202 PolarHBondContact OD1-NH1 2.97Å; I196-R202 VanDerWaalsContact CG2-NH2 3.26Å; R202-L216 WeakPolarHBondContact CD-O 3.29Å; R202-L216 PolarHBondContact NH1-O 3.48Å; R202-A218 HydrophobicContact CB-CB 3.91Å; R202-A218 CarbonylContact O-C 3.59Å; R202-A218 WeakPolarHBondContact O-CA 3.44Å; R202-Q219 PolarHBondContact O-N 3.01Å |
| 203 | F | 98.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.7 | 177.6 | -68 | -86.5 | 0 | 0 | 0 | 110 | W119 Q123 W125 I179 V180 F181 V201 Q219 L221 | W119-F203 HydrophobicContact CH2-CD2 4.38Å; W119-F203 HydrophobicContact CZ2-CD1 4.02Å; W119-F203 AromaticContact CZ2-CD2 3.61Å; W119-F203 HydrophobicContact CZ2-CD2 3.61Å; W119-F203 HydrophobicContact CZ2-CE1 4.11Å; W119-F203 AromaticContact CZ2-CE2 3.68Å; W119-F203 HydrophobicContact CZ2-CE2 3.68Å; W119-F203 AromaticContact CZ2-CG 3.78Å; W119-F203 HydrophobicContact CZ2-CG 3.78Å; W119-F203 AromaticContact CZ2-CZ 3.94Å; W119-F203 HydrophobicContact CZ2-CZ 3.94Å; W119-F203 AromaticContact NE1-CE1 3.6Å; W119-F203 AromaticContact NE1-CZ 3.81Å; Q123-F203 HydrophobicContact CG-CZ 4.29Å; W125-F203 HydrophobicContact CH2-CD2 4.41Å; W125-F203 AromaticContact CH2-CE2 3.8Å; W125-F203 HydrophobicContact CH2-CE2 3.8Å; W125-F203 HydrophobicContact CZ2-CE2 4.17Å; I179-F203 PolarHBondContact O-N 3.45Å; V180-F203 CarbonylContact C-O 3.59Å; V180-F203 WeakPolarHBondContact CA-O 3.14Å; V180-F203 HydrophobicContact CG2-CB 4.17Å; F181-F203 WeakPolarHBondContact CD1-O 3.47Å; F181-F203 WeakPolarHBondContact CE1-O 3.37Å; F181-F203 PolarHBondContact N-O 3.26Å; V201-F203 HydrophobicContact CB-CE2 4.06Å; V201-F203 HydrophobicContact CG1-CD2 4.19Å; V201-F203 HydrophobicContact CG1-CE2 3.4Å; V201-F203 HydrophobicContact CG1-CZ 3.76Å; F203-Q219 CarbonylContact C-O 3.56Å; F203-Q219 VanDerWaalsContact CA-O 3.3Å; F203-Q219 WeakPolarHBondContact CA-O 3.48Å; F203-Q219 HydrophobicContact CD1-CB 3.88Å; F203-Q219 HydrophobicContact CE1-CB 3.93Å; F203-Q219 VanDerWaalsContact CE1-OE1 3.3Å; F203-L221 HydrophobicContact CB-CB 4.31Å; F203-L221 HydrophobicContact CD1-CD1 4.24Å |
| 204 | C | 98.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.014 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.2 | 177.8 | -173.1 | 0 | 0 | 0 | 0 | 110.2 | F181 L213 Q219 L221 | F181-C204 HydrophobicContact CE1-CB 4.16Å; F181-C204 HydrophobicContact CE2-CB 3.94Å; F181-C204 HydrophobicContact CZ-CB 3.69Å; F181-C204 CarbonylContact O-C 3.56Å; F181-C204 VanDerWaalsContact O-CA 3.32Å; F181-C204 WeakPolarHBondContact O-CA 3.4Å; C204-L213 HydrophobicContact CB-CD2 3.56Å; C204-Q219 PolarHBondContact N-O 2.88Å; C204-L221 VanDerWaalsContact O-CB 3.32Å; C204-L221 WeakPolarHBondContact O-CB 3.16Å; C204-L221 PolarHBondContact O-N 3.31Å |
| 205 | T | 97.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 141.3 | 170.2 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | L135 L140 V180 F181 G182 A183 D222 | L135-T205 HydrophobicContact CD1-CG2 4.27Å; L140-T205 HydrophobicContact CD2-CG2 4.15Å; L140-T205 WeakPolarHBondContact CD2-OG1 3.49Å; V180-T205 HydrophobicContact CG1-CG2 4.33Å; F181-T205 PolarHBondContact O-N 3.47Å; G182-T205 CarbonylContact C-O 3.55Å; G182-T205 WeakPolarHBondContact CA-O 2.97Å; A183-T205 PolarHBondContact N-O 2.95Å; T205-D222 VanDerWaalsContact CB-OD1 3.3Å; T205-D222 WeakPolarHBondContact CB-OD1 3.22Å; T205-D222 PolarHBondContact OG1-OD1 3.17Å; T205-D222 PolarHBondContact OG1-OD2 3.44Å |
| 206 | G | 94.4 | Very high | 94.8 | Very high | 29 Ų | 29 | 53.6 Ų | 53.6 | 30% | 0.299 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 91.2 | 174.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113 | L208 D222 | G206-L208 PolarHBondContact O-N 3.27Å; G206-D222 WeakPolarHBondContact CA-OD2 3.4Å; G206-D222 PolarHBondContact N-OD2 3.12Å |
| 207 | D | 91.4 | Very high | 94.9 | Very high | 165 Ų | 165 | 58.2 Ų | 58.2 | 88% | 0.882 | 34% | 0.342 | S | S | * | . | trans | -78.3 | 116.5 | -173.1 | -61.1 | -39.5 | 0 | 0 | 0 | 111.6 | ||||
| 208 | L | 93.5 | Very high | 95.2 | Very high | 31 Ų | 31 | 55.7 Ų | 55.7 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | trans | -135.3 | 140.5 | 173.4 | -162 | 71.7 | 0 | 0 | 0 | 109.2 | A183 A186 G206 R212 L213 L216 | A183-L208 HydrophobicContact CB-CB 4.28Å; A183-L208 HydrophobicContact CB-CD1 4.39Å; A186-L208 HydrophobicContact CB-CD1 3.82Å; A186-L208 HydrophobicContact CB-CD2 4.11Å; G206-L208 PolarHBondContact O-N 3.27Å; L208-R212 HydrophobicContact CD1-CB 4.15Å; L208-R212 HydrophobicContact CD2-CB 3.86Å; L208-R212 HydrophobicContact CG-CB 3.74Å; L208-L213 HydrophobicContact CB-CD2 4.34Å; L208-L213 HydrophobicContact CB-CG 4.25Å; L208-L213 HydrophobicContact CD2-CD2 3.89Å; L208-L213 HydrophobicContact CD2-CG 4.09Å; L208-L213 HydrophobicContact CG-CG 4.47Å; L208-L216 HydrophobicContact CD2-CD1 3.98Å | ||
| 209 | S | 94.1 | Very high | 95.6 | Very high | 53 Ų | 53 | 53.9 Ų | 53.9 | 37% | 0.371 | 32% | 0.317 | S | S | . | . | trans | -64.1 | 153.5 | -179.5 | 89.1 | 0 | 0 | 0 | 0 | 111.7 | E211 R212 L213 | S209-E211 VanDerWaalsContact C-N 3.26Å; S209-E211 WeakPolarHBondContact CB-OE2 3.37Å; S209-E211 PolarHBondContact O-N 3.07Å; S209-E211 PolarHBondContact OG-OE2 3.06Å; S209-R212 PolarHBondContact O-N 3.3Å; S209-R212 VanDerWaalsContact O-N 3.16Å; S209-R212 PolarHBondContact OG-N 3.48Å; S209-L213 PolarHBondContact O-N 3.38Å | ||
| 210 | A | 93.3 | Very high | 95.8 | Very high | 65 Ų | 65 | 52.6 Ų | 52.6 | 54% | 0.537 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.3 | -40 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R212 L213 T214 | A210-R212 VanDerWaalsContact C-N 3.33Å; A210-R212 PolarHBondContact O-N 3.4Å; A210-L213 PolarHBondContact O-N 3.02Å; A210-T214 PolarHBondContact O-N 3.33Å; A210-T214 PolarHBondContact O-OG1 3.02Å; A210-T214 VanDerWaalsContact O-OG1 3.09Å |
| 211 | E | 94.6 | Very high | 95.9 | Very high | 138 Ų | 138 | 52 Ų | 52 | 65% | 0.645 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.7 | -42.1 | 178.7 | -54.3 | 76.7 | -162.7 | 0 | 0 | 111.4 | S209 T214 A215 | S209-E211 VanDerWaalsContact C-N 3.26Å; S209-E211 WeakPolarHBondContact CB-OE2 3.37Å; S209-E211 PolarHBondContact O-N 3.07Å; S209-E211 PolarHBondContact OG-OE2 3.06Å; E211-T214 PolarHBondContact O-N 3.01Å; E211-A215 WeakPolarHBondContact O-CB 3.36Å; E211-A215 PolarHBondContact O-N 3.38Å |
| 212 | R | 95.3 | Very high | 95.9 | Very high | 81 Ų | 81 | 52.4 Ų | 52.4 | 31% | 0.306 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.5 | -37.7 | 178.9 | -71.7 | -163.6 | 71.6 | 176.7 | 9 | 112.4 | A186 D187 L208 S209 A210 A215 L216 | A186-R212 VanDerWaalsContact CB-NH2 3.28Å; D187-R212 IonicContact OD1-CZ 2.65Å; D187-R212 IonicContact OD1-NH1 3.83Å; D187-R212 IonicContact OD1-NH2 3.22Å; D187-R212 PolarHBondContact OD1-NH2 3.07Å; L208-R212 HydrophobicContact CD1-CB 4.15Å; L208-R212 HydrophobicContact CD2-CB 3.86Å; L208-R212 HydrophobicContact CG-CB 3.74Å; S209-R212 PolarHBondContact O-N 3.3Å; S209-R212 VanDerWaalsContact O-N 3.16Å; S209-R212 PolarHBondContact OG-N 3.48Å; A210-R212 VanDerWaalsContact C-N 3.33Å; A210-R212 PolarHBondContact O-N 3.4Å; R212-A215 PolarHBondContact O-N 3.28Å; R212-L216 WeakPolarHBondContact O-CB 3.24Å; R212-L216 WeakPolarHBondContact O-CG 3.37Å; R212-L216 PolarHBondContact O-N 3.4Å |
| 213 | L | 95.8 | Very high | 95.8 | Very high | 24 Ų | 24 | 55.9 Ų | 55.9 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 173 | -74.2 | 170 | 0 | 0 | 0 | 111.1 | C204 L208 S209 A210 L216 N217 A218 P220 | C204-L213 HydrophobicContact CB-CD2 3.56Å; L208-L213 HydrophobicContact CB-CD2 4.34Å; L208-L213 HydrophobicContact CB-CG 4.25Å; L208-L213 HydrophobicContact CD2-CD2 3.89Å; L208-L213 HydrophobicContact CD2-CG 4.09Å; L208-L213 HydrophobicContact CG-CG 4.47Å; S209-L213 PolarHBondContact O-N 3.38Å; A210-L213 PolarHBondContact O-N 3.02Å; L213-L216 CarbonylContact O-C 3.59Å; L213-L216 PolarHBondContact O-N 2.72Å; L213-N217 PolarHBondContact O-N 3.25Å; L213-A218 HydrophobicContact CD2-CB 4.21Å; L213-A218 PolarHBondContact O-N 3.15Å; L213-P220 HydrophobicContact CD1-CB 4.36Å |
| 214 | T | 95.5 | Very high | 95.7 | Very high | 114 Ų | 114 | 58.4 Ų | 58.4 | 70% | 0.699 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62 | -45.3 | 175.3 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | A210 E211 L216 N217 | A210-T214 PolarHBondContact O-N 3.33Å; A210-T214 PolarHBondContact O-OG1 3.02Å; A210-T214 VanDerWaalsContact O-OG1 3.09Å; E211-T214 PolarHBondContact O-N 3.01Å; T214-L216 PolarHBondContact O-N 3.1Å; T214-N217 PolarHBondContact O-N 3.01Å |
| 215 | A | 94.6 | Very high | 95.6 | Very high | 54 Ų | 54 | 58.7 Ų | 58.7 | 45% | 0.446 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.3 | -36 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L190 N193 E211 R212 N217 | L190-A215 HydrophobicContact CD2-CB 4.33Å; N193-A215 PolarHBondContact ND2-O 3.29Å; E211-A215 WeakPolarHBondContact O-CB 3.36Å; E211-A215 PolarHBondContact O-N 3.38Å; R212-A215 PolarHBondContact O-N 3.28Å; A215-N217 VanDerWaalsContact C-N 3.33Å |
| 216 | L | 95.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -6.8 | 176.8 | -76 | 167.6 | 0 | 0 | 0 | 113.9 | F181 A186 M189 L190 R202 L208 R212 L213 T214 A218 | F181-L216 HydrophobicContact CE2-CD1 3.93Å; F181-L216 HydrophobicContact CZ-CD1 3.79Å; A186-L216 HydrophobicContact CB-CD1 3.99Å; M189-L216 HydrophobicContact CB-CD2 3.62Å; L190-L216 HydrophobicContact CB-CD2 4.34Å; L190-L216 HydrophobicContact CD2-CD2 3.64Å; L190-L216 HydrophobicContact CD2-CG 3.81Å; L190-L216 HydrophobicContact CG-CD2 3.7Å; L190-L216 HydrophobicContact CG-CG 4.08Å; R202-L216 WeakPolarHBondContact CD-O 3.29Å; R202-L216 PolarHBondContact NH1-O 3.48Å; L208-L216 HydrophobicContact CD2-CD1 3.98Å; R212-L216 WeakPolarHBondContact O-CB 3.24Å; R212-L216 WeakPolarHBondContact O-CG 3.37Å; R212-L216 PolarHBondContact O-N 3.4Å; L213-L216 CarbonylContact O-C 3.59Å; L213-L216 PolarHBondContact O-N 2.72Å; T214-L216 PolarHBondContact O-N 3.1Å; L216-A218 HydrophobicContact CB-CB 3.97Å; L216-A218 PolarHBondContact O-N 3.06Å |
| 217 | N | 96.1 | Very high | 95.7 | Very high | 103 Ų | 103 | 66.2 Ų | 66.2 | 55% | 0.551 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 48.3 | -167.6 | -171.4 | 32.6 | 0 | 0 | 0 | 111.3 | L213 T214 A215 | L213-N217 PolarHBondContact O-N 3.25Å; T214-N217 PolarHBondContact O-N 3.01Å; A215-N217 VanDerWaalsContact C-N 3.33Å |
| 218 | A | 97.2 | Very high | 95.9 | Very high | 12 Ų | 12 | 59.4 Ų | 59.4 | 10% | 0.099 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 146.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F181 R202 L213 L216 | F181-A218 HydrophobicContact CE1-CB 3.76Å; F181-A218 HydrophobicContact CZ-CB 3.75Å; R202-A218 HydrophobicContact CB-CB 3.91Å; R202-A218 CarbonylContact O-C 3.59Å; R202-A218 WeakPolarHBondContact O-CA 3.44Å; L213-A218 HydrophobicContact CD2-CB 4.21Å; L213-A218 PolarHBondContact O-N 3.15Å; L216-A218 HydrophobicContact CB-CB 3.97Å; L216-A218 PolarHBondContact O-N 3.06Å |
| 219 | Q | 97 | Very high | 96.1 | Very high | 96 Ų | 96 | 60.3 Ų | 60.3 | 45% | 0.449 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 141.8 | 178 | -61.2 | -179.7 | 9.2 | 0 | 0 | 110.9 | R202 F203 C204 L221 | R202-Q219 PolarHBondContact O-N 3.01Å; F203-Q219 CarbonylContact C-O 3.56Å; F203-Q219 VanDerWaalsContact CA-O 3.3Å; F203-Q219 WeakPolarHBondContact CA-O 3.48Å; F203-Q219 HydrophobicContact CD1-CB 3.88Å; F203-Q219 HydrophobicContact CE1-CB 3.93Å; F203-Q219 VanDerWaalsContact CE1-OE1 3.3Å; C204-Q219 PolarHBondContact N-O 2.88Å; Q219-L221 PolarHBondContact O-N 2.97Å |
| 220 | P | 97.5 | Very high | 96.3 | Very high | 64 Ų | 64 | 61.9 Ų | 61.9 | 42% | 0.416 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 125.8 | 174.8 | 30 | -33.7 | 0 | 0 | 0 | 110.2 | L213 P223 V224 | L213-P220 HydrophobicContact CD1-CB 4.36Å; P220-P223 HydrophobicContact CB-CG 4.29Å; P220-V224 WeakPolarHBondContact O-CG2 3.15Å |
| 221 | L | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -85.1 | -38.9 | -176.5 | -176 | 58.3 | 0 | 0 | 0 | 112.6 | W119 L144 V180 F203 C204 Q219 V224 L225 | W119-L221 HydrophobicContact CD2-CD1 3.91Å; W119-L221 HydrophobicContact CE3-CD1 4.45Å; W119-L221 HydrophobicContact CG-CD1 4.32Å; W119-L221 HydrophobicContact CH2-CD1 4.34Å; W119-L221 HydrophobicContact CZ2-CD1 3.78Å; L144-L221 HydrophobicContact CD2-CD2 3.96Å; V180-L221 HydrophobicContact CB-CD2 4.47Å; V180-L221 HydrophobicContact CG1-CD2 3.48Å; V180-L221 VanDerWaalsContact CG1-CD2 3.48Å; V180-L221 HydrophobicContact CG2-CD2 4.12Å; F203-L221 HydrophobicContact CB-CB 4.31Å; F203-L221 HydrophobicContact CD1-CD1 4.24Å; C204-L221 VanDerWaalsContact O-CB 3.32Å; C204-L221 WeakPolarHBondContact O-CB 3.16Å; C204-L221 PolarHBondContact O-N 3.31Å; Q219-L221 PolarHBondContact O-N 2.97Å; L221-V224 WeakPolarHBondContact O-CB 3.3Å; L221-V224 PolarHBondContact O-N 2.85Å; L221-L225 HydrophobicContact CD1-CD1 4.22Å; L221-L225 HydrophobicContact CD1-CD2 4.17Å; L221-L225 HydrophobicContact CD1-CG 3.9Å; L221-L225 HydrophobicContact CD2-CD1 4.07Å; L221-L225 HydrophobicContact CG-CD1 3.77Å; L221-L225 HydrophobicContact CG-CG 3.88Å; L221-L225 PolarHBondContact O-N 3.04Å |
| 222 | D | 97.3 | Very high | 96.5 | Very high | 59 Ų | 59 | 63.4 Ų | 63.4 | 32% | 0.316 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | -170.6 | -56.4 | -21.5 | 0 | 0 | 0 | 113.2 | T205 G206 V224 L225 A226 | T205-D222 VanDerWaalsContact CB-OD1 3.3Å; T205-D222 WeakPolarHBondContact CB-OD1 3.22Å; T205-D222 PolarHBondContact OG1-OD1 3.17Å; T205-D222 PolarHBondContact OG1-OD2 3.44Å; G206-D222 WeakPolarHBondContact CA-OD2 3.4Å; G206-D222 PolarHBondContact N-OD2 3.12Å; D222-V224 VanDerWaalsContact C-N 3.28Å; D222-V224 PolarHBondContact O-N 3.15Å; D222-L225 PolarHBondContact O-N 3.32Å; D222-A226 WeakPolarHBondContact O-CB 3.39Å; D222-A226 PolarHBondContact O-N 3.32Å |
| 223 | P | 96.3 | Very high | 96.4 | Very high | 78 Ų | 78 | 60.4 Ų | 60.4 | 51% | 0.506 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.3 | -33.6 | 174.6 | -22 | 34.5 | 0 | 0 | 0 | 113.2 | P220 A226 T227 | P220-P223 HydrophobicContact CB-CG 4.29Å; P223-A226 PolarHBondContact O-N 2.88Å; P223-T227 PolarHBondContact O-N 3.29Å; P223-T227 PolarHBondContact O-OG1 3.34Å |
| 224 | V | 95.8 | Very high | 96 | Very high | 54 Ų | 54 | 62.8 Ų | 62.8 | 33% | 0.327 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.1 | -43.9 | 177.7 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | W119 P220 L221 D222 A226 T227 A228 | W119-V224 VanDerWaalsContact CD1-CG1 3.5Å; W119-V224 HydrophobicContact CG-CG1 4.29Å; P220-V224 WeakPolarHBondContact O-CG2 3.15Å; L221-V224 WeakPolarHBondContact O-CB 3.3Å; L221-V224 PolarHBondContact O-N 2.85Å; D222-V224 VanDerWaalsContact C-N 3.28Å; D222-V224 PolarHBondContact O-N 3.15Å; V224-A226 VanDerWaalsContact C-N 3.34Å; V224-A226 PolarHBondContact O-N 3.46Å; V224-T227 PolarHBondContact O-N 3.32Å; V224-T227 PolarHBondContact O-OG1 2.69Å; V224-A228 WeakPolarHBondContact O-CB 3.32Å; V224-A228 PolarHBondContact O-N 2.75Å; V224-A228 VanDerWaalsContact O-N 3.1Å |
| 225 | L | 97.4 | Very high | 95.5 | Very high | 9 Ų | 9 | 62.2 Ų | 62.2 | 5% | 0.047 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.3 | -29 | 176.4 | -64.5 | -175.7 | 0 | 0 | 0 | 113.1 | V116 W119 L140 L221 D222 T227 R230 | V116-L225 HydrophobicContact CB-CD2 4.4Å; V116-L225 HydrophobicContact CG2-CD1 4.06Å; V116-L225 HydrophobicContact CG2-CD2 3.84Å; W119-L225 HydrophobicContact CB-CD2 3.89Å; W119-L225 HydrophobicContact CD2-CD2 4.49Å; W119-L225 HydrophobicContact CG-CD2 4.19Å; L140-L225 HydrophobicContact CD1-CD1 4.02Å; L221-L225 HydrophobicContact CD1-CD1 4.22Å; L221-L225 HydrophobicContact CD1-CD2 4.17Å; L221-L225 HydrophobicContact CD1-CG 3.9Å; L221-L225 HydrophobicContact CD2-CD1 4.07Å; L221-L225 HydrophobicContact CG-CD1 3.77Å; L221-L225 HydrophobicContact CG-CG 3.88Å; L221-L225 PolarHBondContact O-N 3.04Å; D222-L225 PolarHBondContact O-N 3.32Å; L225-T227 VanDerWaalsContact C-N 3.31Å; L225-R230 PolarHBondContact O-NH2 3.1Å |
| 226 | A | 96.4 | Very high | 95.1 | Very high | 67 Ų | 67 | 60.4 Ų | 60.4 | 55% | 0.554 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.4 | -34.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D222 P223 V224 | D222-A226 WeakPolarHBondContact O-CB 3.39Å; D222-A226 PolarHBondContact O-N 3.32Å; P223-A226 PolarHBondContact O-N 2.88Å; V224-A226 VanDerWaalsContact C-N 3.34Å; V224-A226 PolarHBondContact O-N 3.46Å |
| 227 | T | 96.3 | Very high | 94.7 | Very high | 123 Ų | 123 | 66.6 Ų | 66.6 | 76% | 0.755 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -96.7 | -14.5 | -177.3 | 53.5 | 0 | 0 | 0 | 0 | 114 | P223 V224 L225 | P223-T227 PolarHBondContact O-N 3.29Å; P223-T227 PolarHBondContact O-OG1 3.34Å; V224-T227 PolarHBondContact O-N 3.32Å; V224-T227 PolarHBondContact O-OG1 2.69Å; L225-T227 VanDerWaalsContact C-N 3.31Å |
| 228 | A | 97.3 | Very high | 94.4 | Very high | 21 Ų | 21 | 66.1 Ų | 66.1 | 17% | 0.174 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -66.8 | 148.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A115 V224 R230 | A115-A228 HydrophobicContact CB-CB 3.86Å; V224-A228 WeakPolarHBondContact O-CB 3.32Å; V224-A228 PolarHBondContact O-N 2.75Å; V224-A228 VanDerWaalsContact O-N 3.1Å; A228-R230 PolarHBondContact O-N 3.25Å |
| 229 | S | 97.4 | Very high | 94 | Very high | 50 Ų | 50 | 70.6 Ų | 70.6 | 35% | 0.35 | 43% | 0.427 | S | S | . | . | trans | -57.4 | 138.1 | 178.1 | 177.6 | 0 | 0 | 0 | 0 | 111.8 | A115 H118 H231 | A115-S229 VanDerWaalsContact CA-O 3.22Å; A115-S229 WeakPolarHBondContact CA-O 3.37Å; A115-S229 PolarHBondContact N-O 3.36Å; H118-S229 PolarHBondContact CD2-O 2.7Å; S229-H231 PolarHBondContact OG-N 3.03Å | ||
| 230 | R | 97.9 | Very high | 93.9 | Very high | 86 Ų | 86 | 66.9 Ų | 66.9 | 33% | 0.325 | 41% | 0.41 | S | S | . | . | trans | -92.4 | -6.8 | 175.6 | -58.3 | -63.4 | 179.5 | -177.9 | -0.2 | 113 | E111 N114 L225 A228 | E111-R230 HydrophobicContact CB-CB 4.01Å; E111-R230 HydrophobicContact CB-CG 4.41Å; E111-R230 HydrophobicContact CG-CB 4.18Å; E111-R230 WeakPolarHBondContact O-CD 3.36Å; N114-R230 VanDerWaalsContact CB-O 3.23Å; N114-R230 WeakPolarHBondContact CB-O 3.33Å; N114-R230 PolarHBondContact ND2-O 3.34Å; L225-R230 PolarHBondContact O-NH2 3.1Å; A228-R230 PolarHBondContact O-N 3.25Å | ||
| 231 | H | 96.3 | Very high | 93.8 | Very high | 141 Ų | 141 | 64.7 Ų | 64.7 | 65% | 0.653 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -71.5 | 149.2 | 179.6 | -67 | -62.7 | 0 | 0 | 0 | 111.8 | N114 H118 S229 | N114-H231 WeakPolarHBondContact CB-O 3.48Å; H118-H231 PolarHBondContact NE2-O 3.39Å; S229-H231 PolarHBondContact OG-N 3.03Å |
| 232 | P | 95 | Very high | 93.7 | Very high | 95 Ų | 95 | 64.9 Ų | 64.9 | 62% | 0.617 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 128.4 | 175.7 | -27.8 | 35.5 | 0 | 0 | 0 | 111.9 | ||
| 233 | P | 92.8 | Very high | 93.5 | Very high | 18 Ų | 18 | 64.9 Ų | 64.9 | 12% | 0.117 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -68 | 160.9 | 175.7 | 33.1 | -38.6 | 0 | 0 | 0 | 109.7 | N114 A117 K150 V151 | N114-P233 VanDerWaalsContact OD1-CD 3.23Å; N114-P233 WeakPolarHBondContact OD1-CD 3.39Å; A117-P233 HydrophobicContact CB-CB 4.06Å; A117-P233 HydrophobicContact CB-CG 3.66Å; K150-P233 HydrophobicContact CB-CG 3.91Å; K150-P233 HydrophobicContact CD-CG 4.26Å; V151-P233 HydrophobicContact CG1-CB 4.28Å; V151-P233 HydrophobicContact CG1-CG 4.46Å |
| 234 | S | 89.1 | Confident | 93.5 | Very high | 74 Ų | 74 | 64.4 Ų | 64.4 | 52% | 0.517 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 148.9 | 165.3 | -25.6 | 0 | 0 | 0 | 0 | 109 | R121 | R121-S234 VanDerWaalsContact CZ-O 3.25Å; R121-S234 VanDerWaalsContact NH1-CB 3.33Å; R121-S234 PolarHBondContact NH1-OG 3.33Å; R121-S234 VanDerWaalsContact NH1-OG 3.08Å; R121-S234 PolarHBondContact NH2-O 3.22Å |
| 235 | P | 83.6 | Confident | 93.5 | Very high | 102 Ų | 102 | 65.5 Ų | 65.5 | 66% | 0.662 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -59 | 156.7 | 174.1 | -24.3 | 34.7 | 0 | 0 | 0 | 112.6 | R121 | R121-P235 PolarHBondContact NH2-O 3.45Å; R121-P235 VanDerWaalsContact NH2-O 3.15Å |
| 236 | C | 87.9 | Confident | 93.5 | Very high | 15 Ų | 15 | 65.2 Ų | 65.2 | 10% | 0.101 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 153.6 | 169.3 | 65.2 | 0 | 0 | 0 | 0 | 111.7 | V151 P238 | V151-C236 VanDerWaalsContact C-CB 3.46Å; V151-C236 WeakPolarHBondContact O-CB 3.47Å; C236-P238 CarbonylContact O-C 3.59Å; C236-P238 PolarHBondContact SG-O 3.23Å |
| 237 | V | 86.5 | Confident | 93.5 | Very high | 132 Ų | 132 | 62 Ų | 62 | 80% | 0.8 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -127.6 | 123.1 | 176.4 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | ||
| 238 | P | 88.5 | Confident | 93.6 | Very high | 93 Ų | 93 | 56.7 Ų | 56.7 | 60% | 0.604 | 33% | 0.329 | S | S | * | . | S | Bend | cis | -66 | 154.3 | -7.1 | 30.5 | -35.5 | 0 | 0 | 0 | 112.3 | C236 | C236-P238 CarbonylContact O-C 3.59Å; C236-P238 PolarHBondContact SG-O 3.23Å |
| 239 | P | 90 | Very high | 93.6 | Very high | 106 Ų | 106 | 55.7 Ų | 55.7 | 69% | 0.688 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 136.4 | 178.4 | 27.4 | -34.2 | 0 | 0 | 0 | 111.4 | ||
| 240 | K | 94.5 | Very high | 93.1 | Very high | 18 Ų | 18 | 54.3 Ų | 54.3 | 8% | 0.078 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 133.8 | 173 | -74.1 | -167.9 | 168.3 | -173.8 | 0 | 111.6 | N77 S127 G152 E154 D244 R245 | N77-K240 PolarHBondContact ND2-O 2.96Å; S127-K240 WeakPolarHBondContact OG-CE 3.09Å; G152-K240 VanDerWaalsContact O-CE 3.23Å; G152-K240 WeakPolarHBondContact O-CE 3.15Å; G152-K240 PolarHBondContact O-NZ 2.63Å; E154-K240 IonicContact OE1-NZ 2.75Å; E154-K240 PolarHBondContact OE1-NZ 3.33Å; K240-D244 HydrophobicContact CB-CB 3.85Å; K240-D244 HydrophobicContact CD-CB 4.01Å; K240-D244 HydrophobicContact CG-CB 3.88Å; K240-R245 PolarHBondContact NZ-O 3.4Å |
| 241 | G | 95.1 | Very high | 92.2 | Very high | 17 Ų | 17 | 51.2 Ų | 51.2 | 18% | 0.175 | 30% | 0.299 | C | S | . | . | trans | -106.8 | -169 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114 | N243 D244 H265 | G241-N243 PolarHBondContact O-N 3.2Å; G241-N243 VanDerWaalsContact O-N 3.15Å; G241-D244 PolarHBondContact N-OD2 2.87Å; G241-D244 PolarHBondContact O-N 3.29Å; G241-H265 PolarHBondContact O-CD2 2.9Å | ||
| 242 | M | 95.4 | Very high | 90.9 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22 | -176.3 | -87.8 | -54.2 | 175.2 | 0 | 0 | 115.5 | Y71 M72 S76 I81 H265 S266 | Y71-M242 VanDerWaalsContact CB-CE 3.49Å; Y71-M242 HydrophobicContact CD2-CE 4.03Å; Y71-M242 HydrophobicContact CG-CE 3.81Å; M72-M242 HydrophobicContact CG-CB 3.7Å; M72-M242 HydrophobicContact CG-CG 4Å; S76-M242 WeakPolarHBondContact O-CG 3.37Å; S76-M242 PolarHBondContact O-N 2.95Å; I81-M242 HydrophobicContact CD1-CE 3.5Å; M242-H265 HydrophobicContact SD-CB 3.9Å; M242-S266 WeakPolarHBondContact O-CA 3.22Å; M242-S266 WeakPolarHBondContact O-CB 3.39Å; M242-S266 PolarHBondContact O-N 2.79Å; M242-S266 PolarHBondContact O-OG 2.82Å |
| 243 | N | 94.3 | Very high | 88.9 | Confident | 58 Ų | 58 | 45 Ų | 45 | 31% | 0.31 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -1.9 | -178.9 | -69.2 | -20.3 | 0 | 0 | 0 | 113 | M72 G241 V264 | M72-N243 WeakPolarHBondContact CE-ND2 3.46Å; G241-N243 PolarHBondContact O-N 3.2Å; G241-N243 VanDerWaalsContact O-N 3.15Å; N243-V264 WeakPolarHBondContact O-CG1 3.25Å |
| 244 | D | 95.4 | Very high | 86.8 | Confident | 68 Ų | 68 | 50.4 Ų | 50.4 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -79.6 | 150.8 | 176 | -65.1 | -68.9 | 0 | 0 | 0 | 110.9 | K240 G241 L246 V264 H265 | K240-D244 HydrophobicContact CB-CB 3.85Å; K240-D244 HydrophobicContact CD-CB 4.01Å; K240-D244 HydrophobicContact CG-CB 3.88Å; G241-D244 PolarHBondContact N-OD2 2.87Å; G241-D244 PolarHBondContact O-N 3.29Å; D244-L246 PolarHBondContact O-N 3.23Å; D244-V264 VanDerWaalsContact O-CA 3.27Å; D244-V264 WeakPolarHBondContact O-CA 3.28Å; D244-V264 WeakPolarHBondContact O-CB 3.48Å; D244-H265 PolarHBondContact O-CD2 3.37Å; D244-H265 VanDerWaalsContact O-CD2 3.32Å; D244-H265 PolarHBondContact O-N 3.29Å; D244-H265 VanDerWaalsContact O-N 3.15Å |
| 245 | R | 96.3 | Very high | 85.1 | Confident | 77 Ų | 77 | 51.7 Ų | 51.7 | 29% | 0.291 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 128.9 | 179.6 | 179 | 169.9 | 45.8 | -175.7 | 6.8 | 109.7 | E154 K240 Y248 I262 | E154-R245 HydrophobicContact CG-CG 4.36Å; E154-R245 IonicContact OE1-CZ 3.93Å; E154-R245 IonicContact OE1-NE 3.85Å; E154-R245 PolarHBondContact OE1-NE 2.82Å; E154-R245 IonicContact OE1-NH2 2.75Å; E154-R245 PolarHBondContact OE1-NH2 3.12Å; E154-R245 VanDerWaalsContact OE1-NH2 3.12Å; E154-R245 VanDerWaalsContact OE2-CD 3.26Å; E154-R245 WeakPolarHBondContact OE2-CD 3.43Å; E154-R245 IonicContact OE2-CZ 2.66Å; E154-R245 IonicContact OE2-NE 3.96Å; E154-R245 PolarHBondContact OE2-NE 2.96Å; E154-R245 IonicContact OE2-NH2 3.38Å; E154-R245 PolarHBondContact OE2-NH2 3.3Å; K240-R245 PolarHBondContact NZ-O 3.4Å; R245-Y248 PolarHBondContact NH1-OH 3.22Å; R245-I262 HydrophobicContact CB-CG2 4.38Å; R245-I262 HydrophobicContact CG-CG2 4.05Å |
| 246 | L | 97.2 | Very high | 83.8 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -53.9 | 178.5 | 173.2 | 65.6 | 0 | 0 | 0 | 109.8 | W145 A149 D244 V263 H265 Y268 | W145-L246 HydrophobicContact CE3-CD1 4.05Å; W145-L246 HydrophobicContact CE3-CG 4.48Å; W145-L246 HydrophobicContact CZ3-CD1 3.86Å; W145-L246 HydrophobicContact CZ3-CD2 4Å; W145-L246 HydrophobicContact CZ3-CG 4.33Å; A149-L246 HydrophobicContact CB-CD1 3.61Å; D244-L246 PolarHBondContact O-N 3.23Å; L246-V263 PolarHBondContact N-O 3.28Å; L246-H265 VanDerWaalsContact CD1-CE1 3.41Å; L246-H265 WeakPolarHBondContact CD1-CE1 3.44Å; L246-Y268 HydrophobicContact CD2-CD2 3.75Å; L246-Y268 HydrophobicContact CD2-CE2 4.46Å; L246-Y268 HydrophobicContact CD2-CG 3.95Å |
| 247 | F | 97.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 172.1 | 177 | 52.3 | -123.4 | 0 | 0 | 0 | 111.9 | W145 A155 L157 I249 V263 Y268 I300 | W145-F247 HydrophobicContact CD2-CD1 4.16Å; W145-F247 HydrophobicContact CD2-CE1 4.09Å; W145-F247 HydrophobicContact CE3-CD1 4.04Å; W145-F247 HydrophobicContact CE3-CE1 4.08Å; W145-F247 HydrophobicContact CG-CD1 4.41Å; W145-F247 HydrophobicContact CZ3-CE1 4.32Å; A155-F247 HydrophobicContact CB-CB 3.91Å; A155-F247 CarbonylContact O-C 3.52Å; A155-F247 WeakPolarHBondContact O-CA 3.21Å; A155-F247 WeakPolarHBondContact O-CB 3.46Å; L157-F247 HydrophobicContact CD1-CD1 4.27Å; L157-F247 HydrophobicContact CD1-CD2 3.95Å; L157-F247 HydrophobicContact CD1-CE1 4.33Å; L157-F247 HydrophobicContact CD1-CE2 4.02Å; L157-F247 HydrophobicContact CD1-CG 4.1Å; L157-F247 HydrophobicContact CD1-CZ 4.2Å; L157-F247 HydrophobicContact CG-CB 4.44Å; L157-F247 HydrophobicContact CG-CD2 4.37Å; L157-F247 HydrophobicContact CG-CG 4.32Å; F247-I249 HydrophobicContact CD2-CD1 4.3Å; F247-I249 HydrophobicContact CD2-CG1 3.96Å; F247-I249 HydrophobicContact CE2-CD1 3.57Å; F247-I249 HydrophobicContact CE2-CG1 3.75Å; F247-I249 HydrophobicContact CZ-CD1 4.38Å; F247-V263 HydrophobicContact CD2-CB 3.78Å; F247-V263 HydrophobicContact CD2-CG1 4.24Å; F247-V263 HydrophobicContact CD2-CG2 4.11Å; F247-V263 HydrophobicContact CE2-CB 3.7Å; F247-V263 HydrophobicContact CE2-CG1 3.71Å; F247-V263 HydrophobicContact CE2-CG2 3.91Å; F247-V263 HydrophobicContact CZ-CG1 4.3Å; F247-V263 PolarHBondContact N-O 3.17Å; F247-V263 WeakPolarHBondContact O-CB 3.41Å; F247-V263 PolarHBondContact O-N 3.36Å; F247-Y268 AromaticContact CE1-CD2 3.97Å; F247-Y268 HydrophobicContact CE1-CD2 3.97Å; F247-Y268 AromaticContact CE1-CE2 3.98Å; F247-Y268 HydrophobicContact CE1-CE2 3.98Å; F247-Y268 AromaticContact CZ-CD2 3.65Å; F247-Y268 HydrophobicContact CZ-CD2 3.65Å; F247-Y268 AromaticContact CZ-CE2 3.82Å; F247-Y268 HydrophobicContact CZ-CE2 3.82Å; F247-I300 HydrophobicContact CE2-CD1 4.42Å; F247-I300 HydrophobicContact CZ-CD1 4.31Å; F247-I300 HydrophobicContact CZ-CG1 4.34Å |
| 248 | Y | 98.3 | Very high | 82.5 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 140.9 | 168.2 | -56.4 | -85.4 | 0 | 0 | 0 | 111.5 | V130 A155 A156 L157 R245 A260 A261 I262 A469 | V130-Y248 HydrophobicContact CG1-CD2 4.21Å; V130-Y248 HydrophobicContact CG1-CE2 4Å; V130-Y248 HydrophobicContact CG2-CE2 3.91Å; A155-Y248 PolarHBondContact O-N 3.25Å; A156-Y248 HydrophobicContact CB-CD2 4.23Å; L157-Y248 WeakPolarHBondContact CB-O 3.38Å; L157-Y248 WeakPolarHBondContact CG-O 3.12Å; L157-Y248 PolarHBondContact N-O 3.02Å; R245-Y248 PolarHBondContact NH1-OH 3.22Å; Y248-A260 HydrophobicContact CD1-CB 3.98Å; Y248-A260 HydrophobicContact CG-CB 4.34Å; Y248-A261 WeakPolarHBondContact CA-O 3.43Å; Y248-I262 HydrophobicContact CD1-CG1 4.19Å; Y248-I262 HydrophobicContact CE1-CG1 3.89Å; Y248-A469 HydrophobicContact CE1-CB 3.98Å |
| 249 | I | 96.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.9 | 165.7 | -71.8 | 178 | 0 | 0 | 0 | 107.9 | L157 F247 A261 V263 I300 T392 | L157-I249 HydrophobicContact CB-CG1 4.5Å; L157-I249 HydrophobicContact CD1-CD1 4.44Å; L157-I249 HydrophobicContact CD1-CG1 3.99Å; F247-I249 HydrophobicContact CD2-CD1 4.3Å; F247-I249 HydrophobicContact CD2-CG1 3.96Å; F247-I249 HydrophobicContact CE2-CD1 3.57Å; F247-I249 HydrophobicContact CE2-CG1 3.75Å; F247-I249 HydrophobicContact CZ-CD1 4.38Å; I249-A261 PolarHBondContact N-O 3.41Å; I249-A261 VanDerWaalsContact N-O 3.12Å; I249-A261 VanDerWaalsContact O-CB 3.32Å; I249-A261 WeakPolarHBondContact O-CB 3.47Å; I249-A261 PolarHBondContact O-N 2.73Å; I249-V263 HydrophobicContact CB-CG2 4.4Å; I249-V263 HydrophobicContact CD1-CG2 4.22Å; I249-V263 HydrophobicContact CG1-CG2 4.29Å; I249-I300 HydrophobicContact CD1-CD1 4.29Å; I249-T392 HydrophobicContact CB-CG2 3.77Å; I249-T392 HydrophobicContact CD1-CG2 4.33Å; I249-T392 HydrophobicContact CG2-CG2 3.78Å |
| 250 | Y | 87.4 | Confident | 82.5 | Confident | 20 Ų | 20 | 38.7 Ų | 38.7 | 8% | 0.078 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 136.6 | -180 | -62.4 | -100.6 | 0 | 0 | 0 | 111 | A156 L157 I158 C170 S174 P258 K259 A260 | A156-Y250 HydrophobicContact CB-CE2 4.12Å; L157-Y250 VanDerWaalsContact O-CD2 3.28Å; L157-Y250 WeakPolarHBondContact O-CD2 3.35Å; I158-Y250 HydrophobicContact CG1-CE2 3.92Å; C170-Y250 HydrophobicContact CB-CD1 4.01Å; C170-Y250 HydrophobicContact CB-CE1 3.56Å; C170-Y250 HydrophobicContact CB-CE2 4.4Å; C170-Y250 PolarHBondContact O-OH 3.04Å; C170-Y250 VanDerWaalsContact SG-CD1 3.57Å; S174-Y250 VanDerWaalsContact CB-OH 3.24Å; S174-Y250 WeakPolarHBondContact CB-OH 3.45Å; S174-Y250 PolarHBondContact OG-OH 3.05Å; Y250-P258 HydrophobicContact CD1-CB 4.15Å; Y250-P258 HydrophobicContact CG-CB 4.46Å; Y250-K259 CarbonylContact C-O 3.6Å; Y250-K259 WeakPolarHBondContact CA-O 3.16Å; Y250-A260 HydrophobicContact CD1-CB 4.01Å; Y250-A260 HydrophobicContact CE1-CB 3.72Å |
| 251 | T | 78.7 | Confident | 82.5 | Confident | 22 Ų | 22 | 37.9 Ų | 37.9 | 14% | 0.135 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 149 | 178.5 | 58.3 | 0 | 0 | 0 | 0 | 109.8 | G253 P258 K259 A261 | T251-G253 PolarHBondContact O-N 2.53Å; T251-P258 CarbonylContact O-C 3.59Å; T251-P258 VanDerWaalsContact O-CA 3.28Å; T251-P258 WeakPolarHBondContact O-CA 3.5Å; T251-K259 PolarHBondContact N-O 3.38Å; T251-K259 PolarHBondContact O-N 2.8Å; T251-K259 PolarHBondContact OG1-O 3.42Å; T251-A261 HydrophobicContact CG2-CB 4.1Å |
| 252 | S | 68.7 | Low | 82.6 | Confident | 91 Ų | 91 | 38 Ų | 38 | 64% | 0.636 | 23% | 0.228 | S | C | * | . | trans | -59 | 121.6 | 175.3 | 52.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 253 | G | 53.3 | Low | 82.7 | Confident | 14 Ų | 14 | 37.8 Ų | 37.8 | 14% | 0.144 | 23% | 0.227 | C | C | . | . | trans | -86.4 | 145.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T251 T255 G256 L257 | T251-G253 PolarHBondContact O-N 2.53Å; G253-T255 PolarHBondContact O-N 3.01Å; G253-G256 PolarHBondContact O-N 2.75Å; G253-L257 WeakPolarHBondContact CA-O 3.47Å; G253-L257 PolarHBondContact N-O 3.24Å | ||
| 254 | T | 48.7 | Very low | 82.9 | Confident | 131 Ų | 131 | 35.2 Ų | 35.2 | 80% | 0.804 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -19.4 | 170.9 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | G256 | T254-G256 VanDerWaalsContact C-N 3.34Š|
| 255 | T | 53.3 | Low | 83 | Confident | 102 Ų | 102 | 32 Ų | 32 | 63% | 0.626 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 6.3 | 176.4 | 53.1 | 0 | 0 | 0 | 0 | 112.8 | G253 L257 | G253-T255 PolarHBondContact O-N 3.01Å; T255-L257 VanDerWaalsContact C-N 3.29Å; T255-L257 PolarHBondContact O-N 2.65Å |
| 256 | G | 57.4 | Low | 83 | Confident | 57 Ų | 57 | 28.4 Ų | 28.4 | 59% | 0.588 | 18% | 0.182 | S | C | * | . | S | Bend | trans | 88 | -33.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G253 T254 | G253-G256 PolarHBondContact O-N 2.75Å; T254-G256 VanDerWaalsContact C-N 3.34Å |
| 257 | L | 69.1 | Low | 82.9 | Confident | 67 Ų | 67 | 28.6 Ų | 28.6 | 35% | 0.351 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -85.2 | 141.7 | 179.4 | -67.9 | 175.5 | 0 | 0 | 0 | 113.4 | H169 G253 T255 | H169-L257 HydrophobicContact CB-CD2 4.4Å; G253-L257 WeakPolarHBondContact CA-O 3.47Å; G253-L257 PolarHBondContact N-O 3.24Å; T255-L257 VanDerWaalsContact C-N 3.29Å; T255-L257 PolarHBondContact O-N 2.65Å |
| 258 | P | 77.4 | Confident | 82.9 | Confident | 16 Ų | 16 | 28.6 Ų | 28.6 | 10% | 0.104 | 18% | 0.183 | C | C | . | . | trans | -66.5 | 141.4 | -179.5 | -20.9 | 32.8 | 0 | 0 | 0 | 114.1 | L162 H169 Y250 T251 | L162-P258 HydrophobicContact CD1-CG 4.23Å; H169-P258 PolarHBondContact CD2-O 3.24Å; H169-P258 PolarHBondContact NE2-O 2.82Å; Y250-P258 HydrophobicContact CD1-CB 4.15Å; Y250-P258 HydrophobicContact CG-CB 4.46Å; T251-P258 CarbonylContact O-C 3.59Å; T251-P258 VanDerWaalsContact O-CA 3.28Å; T251-P258 WeakPolarHBondContact O-CA 3.5Å | ||
| 259 | K | 85.6 | Confident | 82.9 | Confident | 34 Ų | 34 | 28.3 Ų | 28.3 | 15% | 0.148 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 125.6 | 178.6 | -61.6 | 170 | -178.1 | 174.6 | 0 | 110.8 | Y250 T251 A261 Y468 A473 | Y250-K259 CarbonylContact C-O 3.6Å; Y250-K259 WeakPolarHBondContact CA-O 3.16Å; T251-K259 PolarHBondContact N-O 3.38Å; T251-K259 PolarHBondContact O-N 2.8Å; T251-K259 PolarHBondContact OG1-O 3.42Å; K259-A261 PolarHBondContact O-N 2.87Å; K259-A261 VanDerWaalsContact O-N 3.13Å; K259-Y468 HydrophobicContact CB-CD1 3.8Å; K259-Y468 HydrophobicContact CB-CE1 4.09Å; K259-Y468 HydrophobicContact CB-CG 4.41Å; K259-A473 HydrophobicContact CD-CB 4.05Å |
| 260 | A | 92.9 | Very high | 82.8 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 98.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V173 Y248 Y250 Y468 A469 | V173-A260 HydrophobicContact CG1-CB 3.89Å; Y248-A260 HydrophobicContact CD1-CB 3.98Å; Y248-A260 HydrophobicContact CG-CB 4.34Å; Y250-A260 HydrophobicContact CD1-CB 4.01Å; Y250-A260 HydrophobicContact CE1-CB 3.72Å; A260-Y468 CarbonylContact O-C 3.48Å; A260-Y468 WeakPolarHBondContact O-CA 3.32Å; A260-Y468 WeakPolarHBondContact O-CB 3.43Å; A260-A469 HydrophobicContact CB-CB 4.02Å; A260-A469 PolarHBondContact O-N 3.16Å |
| 261 | A | 94.8 | Very high | 83.2 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 131.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y248 I249 T251 K259 V263 T392 E393 Y468 | Y248-A261 WeakPolarHBondContact CA-O 3.43Å; I249-A261 PolarHBondContact N-O 3.41Å; I249-A261 VanDerWaalsContact N-O 3.12Å; I249-A261 VanDerWaalsContact O-CB 3.32Å; I249-A261 WeakPolarHBondContact O-CB 3.47Å; I249-A261 PolarHBondContact O-N 2.73Å; T251-A261 HydrophobicContact CG2-CB 4.1Å; K259-A261 PolarHBondContact O-N 2.87Å; K259-A261 VanDerWaalsContact O-N 3.13Å; A261-V263 PolarHBondContact O-N 3.4Å; A261-T392 HydrophobicContact CB-CG2 3.93Å; A261-E393 HydrophobicContact CB-CB 4.24Å; A261-Y468 HydrophobicContact CB-CD1 3.9Å; A261-Y468 HydrophobicContact CB-CE1 4.04Å |
| 262 | I | 97.1 | Very high | 84.1 | Confident | 21 Ų | 21 | 27.8 Ų | 27.8 | 11% | 0.108 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 123.3 | 179.9 | -65.9 | 170.2 | 0 | 0 | 0 | 108.9 | R245 Y248 V264 R267 D466 G467 | R245-I262 HydrophobicContact CB-CG2 4.38Å; R245-I262 HydrophobicContact CG-CG2 4.05Å; Y248-I262 HydrophobicContact CD1-CG1 4.19Å; Y248-I262 HydrophobicContact CE1-CG1 3.89Å; I262-V264 HydrophobicContact CG2-CG1 4.14Å; I262-R267 PolarHBondContact O-NH1 3.47Å; I262-D466 HydrophobicContact CB-CB 4.08Å; I262-D466 HydrophobicContact CG2-CB 3.89Å; I262-G467 PolarHBondContact N-O 3.48Å |
| 263 | V | 97.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 115.4 | 172.2 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | L246 F247 I249 A261 I300 T392 | L246-V263 PolarHBondContact N-O 3.28Å; F247-V263 HydrophobicContact CD2-CB 3.78Å; F247-V263 HydrophobicContact CD2-CG1 4.24Å; F247-V263 HydrophobicContact CD2-CG2 4.11Å; F247-V263 HydrophobicContact CE2-CB 3.7Å; F247-V263 HydrophobicContact CE2-CG1 3.71Å; F247-V263 HydrophobicContact CE2-CG2 3.91Å; F247-V263 HydrophobicContact CZ-CG1 4.3Å; F247-V263 PolarHBondContact N-O 3.17Å; F247-V263 WeakPolarHBondContact O-CB 3.41Å; F247-V263 PolarHBondContact O-N 3.36Å; I249-V263 HydrophobicContact CB-CG2 4.4Å; I249-V263 HydrophobicContact CD1-CG2 4.22Å; I249-V263 HydrophobicContact CG1-CG2 4.29Å; A261-V263 PolarHBondContact O-N 3.4Å; V263-I300 HydrophobicContact CG1-CD1 4.13Å; V263-T392 HydrophobicContact CG2-CG2 3.99Å |
| 264 | V | 97.1 | Very high | 87.5 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 158.9 | 174.2 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | N243 D244 I262 S266 R267 Y268 | N243-V264 WeakPolarHBondContact O-CG1 3.25Å; D244-V264 VanDerWaalsContact O-CA 3.27Å; D244-V264 WeakPolarHBondContact O-CA 3.28Å; D244-V264 WeakPolarHBondContact O-CB 3.48Å; I262-V264 HydrophobicContact CG2-CG1 4.14Å; V264-S266 VanDerWaalsContact C-N 3.3Å; V264-S266 WeakPolarHBondContact CG2-OG 3.46Å; V264-S266 PolarHBondContact O-N 2.99Å; V264-R267 HydrophobicContact CG2-CB 3.91Å; V264-R267 WeakPolarHBondContact O-CB 3.23Å; V264-R267 PolarHBondContact O-N 3.24Å; V264-Y268 PolarHBondContact O-N 3.03Å |
| 265 | H | 97.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -53.7 | -42.2 | -179.2 | -74.9 | -82.4 | 0 | 0 | 0 | 113.7 | N77 I78 G241 M242 D244 L246 R267 Y268 Y269 | N77-H265 HydrophobicContact CB-CB 4.49Å; I78-H265 WeakPolarHBondContact CB-ND1 3.34Å; I78-H265 WeakPolarHBondContact CD1-O 3.5Å; I78-H265 HydrophobicContact CG1-CB 4Å; I78-H265 WeakPolarHBondContact CG1-ND1 3.45Å; I78-H265 PolarHBondContact N-ND1 3.33Å; G241-H265 PolarHBondContact O-CD2 2.9Å; M242-H265 HydrophobicContact SD-CB 3.9Å; D244-H265 PolarHBondContact O-CD2 3.37Å; D244-H265 VanDerWaalsContact O-CD2 3.32Å; D244-H265 PolarHBondContact O-N 3.29Å; D244-H265 VanDerWaalsContact O-N 3.15Å; L246-H265 VanDerWaalsContact CD1-CE1 3.41Å; L246-H265 WeakPolarHBondContact CD1-CE1 3.44Å; H265-R267 VanDerWaalsContact C-N 3.3Å; H265-R267 PolarHBondContact O-N 2.8Å; H265-Y268 WeakPolarHBondContact O-CB 3.46Å; H265-Y268 PolarHBondContact O-N 3.18Å; H265-Y269 PolarHBondContact O-N 3.24Å |
| 266 | S | 96.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.014 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.2 | -33.2 | 178.8 | 53.9 | 0 | 0 | 0 | 0 | 112.3 | M242 V264 R270 | M242-S266 WeakPolarHBondContact O-CA 3.22Å; M242-S266 WeakPolarHBondContact O-CB 3.39Å; M242-S266 PolarHBondContact O-N 2.79Å; M242-S266 PolarHBondContact O-OG 2.82Å; V264-S266 VanDerWaalsContact C-N 3.3Å; V264-S266 WeakPolarHBondContact CG2-OG 3.46Å; V264-S266 PolarHBondContact O-N 2.99Å; S266-R270 WeakPolarHBondContact O-CB 3.45Å; S266-R270 PolarHBondContact O-N 3.02Å |
| 267 | R | 96.4 | Very high | 93.7 | Very high | 6 Ų | 6 | 14 Ų | 14 | 2% | 0.023 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -70.5 | -44.2 | 174.8 | -173.1 | -179.1 | -59.8 | 164.7 | 8.4 | 110.9 | I262 V264 H265 Y269 R270 I271 T392 D466 | I262-R267 PolarHBondContact O-NH1 3.47Å; V264-R267 HydrophobicContact CG2-CB 3.91Å; V264-R267 WeakPolarHBondContact O-CB 3.23Å; V264-R267 PolarHBondContact O-N 3.24Å; H265-R267 VanDerWaalsContact C-N 3.3Å; H265-R267 PolarHBondContact O-N 2.8Å; R267-Y269 VanDerWaalsContact C-N 3.32Å; R267-Y269 PolarHBondContact O-N 3.4Å; R267-R270 PolarHBondContact O-N 3.26Å; R267-I271 HydrophobicContact CG-CD1 3.76Å; R267-I271 HydrophobicContact CG-CG1 4.27Å; R267-I271 WeakPolarHBondContact O-CG1 3.41Å; R267-I271 PolarHBondContact O-N 2.85Å; R267-T392 WeakPolarHBondContact CD-O 3.4Å; R267-T392 PolarHBondContact NH1-O 2.65Å; R267-D466 IonicContact CZ-OD2 2.64Å; R267-D466 IonicContact NE-OD2 2.63Å; R267-D466 VanDerWaalsContact NH2-CB 3.31Å; R267-D466 IonicContact NH2-OD2 3.78Å; R267-D466 PolarHBondContact NH2-OD2 3.42Å |
| 268 | Y | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -54.4 | -51.9 | 174.2 | -171.1 | -80.7 | 0 | 0 | 0 | 110.4 | I78 W145 L246 F247 V264 H265 R270 I271 A272 N299 I300 G304 I308 | I78-Y268 HydrophobicContact CD1-CD1 3.65Å; I78-Y268 HydrophobicContact CD1-CG 4.34Å; I78-Y268 HydrophobicContact CG1-CD1 3.82Å; I78-Y268 HydrophobicContact CG1-CG 4.19Å; I78-Y268 HydrophobicContact CG2-CD1 4.1Å; I78-Y268 HydrophobicContact CG2-CE1 4.14Å; W145-Y268 HydrophobicContact CH2-CE2 4.12Å; W145-Y268 AromaticContact CH2-CZ 3.99Å; W145-Y268 HydrophobicContact CZ2-CE2 4.24Å; L246-Y268 HydrophobicContact CD2-CD2 3.75Å; L246-Y268 HydrophobicContact CD2-CE2 4.46Å; L246-Y268 HydrophobicContact CD2-CG 3.95Å; F247-Y268 AromaticContact CE1-CD2 3.97Å; F247-Y268 HydrophobicContact CE1-CD2 3.97Å; F247-Y268 AromaticContact CE1-CE2 3.98Å; F247-Y268 HydrophobicContact CE1-CE2 3.98Å; F247-Y268 AromaticContact CZ-CD2 3.65Å; F247-Y268 HydrophobicContact CZ-CD2 3.65Å; F247-Y268 AromaticContact CZ-CE2 3.82Å; F247-Y268 HydrophobicContact CZ-CE2 3.82Å; V264-Y268 PolarHBondContact O-N 3.03Å; H265-Y268 WeakPolarHBondContact O-CB 3.46Å; H265-Y268 PolarHBondContact O-N 3.18Å; Y268-R270 PolarHBondContact O-N 2.64Å; Y268-I271 PolarHBondContact O-N 3.12Å; Y268-A272 WeakPolarHBondContact O-CB 3.31Å; Y268-A272 PolarHBondContact O-N 3.37Å; Y268-N299 WeakPolarHBondContact CE2-OD1 3.29Å; Y268-N299 PolarHBondContact OH-O 2.96Å; Y268-I300 HydrophobicContact CD1-CG2 4.46Å; Y268-I300 HydrophobicContact CD2-CB 4.38Å; Y268-I300 HydrophobicContact CD2-CD1 3.98Å; Y268-I300 HydrophobicContact CD2-CG1 3.73Å; Y268-I300 HydrophobicContact CD2-CG2 3.99Å; Y268-I300 HydrophobicContact CE2-CB 4.24Å; Y268-I300 HydrophobicContact CE2-CD1 4.46Å; Y268-I300 HydrophobicContact CE2-CG1 3.72Å; Y268-I300 HydrophobicContact CE2-CG2 4.14Å; Y268-I300 HydrophobicContact CG-CG2 4.14Å; Y268-I300 WeakPolarHBondContact O-CG2 3.42Å; Y268-G304 WeakPolarHBondContact OH-CA 3.42Å; Y268-G304 PolarHBondContact OH-N 2.87Å; Y268-I308 HydrophobicContact CD1-CD1 3.99Å; Y268-I308 HydrophobicContact CE1-CD1 4Å |
| 269 | Y | 97.6 | Very high | 95.8 | Very high | 7 Ų | 7 | 10.3 Ų | 10.3 | 3% | 0.027 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -58.2 | -49.4 | 176.6 | -179.6 | -91.4 | 0 | 0 | 0 | 112 | V64 A67 L68 Y71 I81 H265 R267 I271 A272 A273 I308 | V64-Y269 HydrophobicContact CG1-CE1 4.34Å; A67-Y269 HydrophobicContact CB-CE1 4.08Å; A67-Y269 WeakPolarHBondContact CB-OH 3.38Å; L68-Y269 HydrophobicContact CD1-CD1 4.3Å; L68-Y269 HydrophobicContact CD2-CD1 3.41Å; L68-Y269 VanDerWaalsContact CD2-CD1 3.41Å; L68-Y269 HydrophobicContact CD2-CE1 4.18Å; L68-Y269 HydrophobicContact CD2-CG 4.04Å; L68-Y269 HydrophobicContact CG-CD1 3.56Å; L68-Y269 HydrophobicContact CG-CE1 3.89Å; Y71-Y269 HydrophobicContact CD2-CD2 4.48Å; Y71-Y269 HydrophobicContact CD2-CE2 4.14Å; Y71-Y269 HydrophobicContact CE2-CD2 4.18Å; Y71-Y269 HydrophobicContact CE2-CE1 4.41Å; Y71-Y269 AromaticContact CE2-CE2 3.48Å; Y71-Y269 HydrophobicContact CE2-CE2 3.48Å; Y71-Y269 VanDerWaalsContact CE2-CE2 3.48Å; Y71-Y269 AromaticContact CE2-CZ 3.63Å; I81-Y269 HydrophobicContact CD1-CD2 3.64Å; I81-Y269 HydrophobicContact CD1-CE2 4.01Å; H265-Y269 PolarHBondContact O-N 3.24Å; R267-Y269 VanDerWaalsContact C-N 3.32Å; R267-Y269 PolarHBondContact O-N 3.4Å; Y269-I271 PolarHBondContact O-N 3.06Å; Y269-A272 PolarHBondContact O-N 2.8Å; Y269-A273 HydrophobicContact CD1-CB 4.23Å; Y269-A273 HydrophobicContact CE1-CB 3.83Å; Y269-A273 HydrophobicContact CE2-CB 4.5Å; Y269-A273 WeakPolarHBondContact O-CB 3.38Å; Y269-A273 PolarHBondContact O-N 3.32Å; Y269-I308 HydrophobicContact CD2-CD1 3.97Å; Y269-I308 HydrophobicContact CD2-CG2 4.03Å; Y269-I308 HydrophobicContact CE2-CG2 3.75Å |
| 270 | R | 95.2 | Very high | 96.3 | Very high | 6 Ų | 6 | 15.5 Ų | 15.5 | 2% | 0.023 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -57.2 | -49.7 | -177 | -178.8 | -173.7 | 72.8 | 129.3 | 5.1 | 111.6 | V64 L68 S266 R267 Y268 F274 C394 L462 | V64-R270 HydrophobicContact CG1-CG 4.43Å; L68-R270 HydrophobicContact CD1-CB 4.3Å; S266-R270 WeakPolarHBondContact O-CB 3.45Å; S266-R270 PolarHBondContact O-N 3.02Å; R267-R270 PolarHBondContact O-N 3.26Å; Y268-R270 PolarHBondContact O-N 2.64Å; R270-F274 HydrophobicContact CG-CD2 3.55Å; R270-F274 HydrophobicContact CG-CE2 3.35Å; R270-F274 WeakPolarHBondContact O-CB 3.42Å; R270-F274 WeakPolarHBondContact O-CD2 3.26Å; R270-F274 WeakPolarHBondContact O-CG 3.06Å; R270-F274 PolarHBondContact O-N 3.18Å; R270-C394 PolarHBondContact NH2-O 2.66Å; R270-L462 HydrophobicContact CG-CD2 3.8Å; R270-L462 PolarHBondContact NH1-O 2.93Å |
| 271 | I | 95.7 | Very high | 96.5 | Very high | 25 Ų | 25 | 15.9 Ų | 15.9 | 13% | 0.128 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.4 | -49.3 | -177.8 | -68.5 | 171.5 | 0 | 0 | 0 | 110.1 | R267 Y268 Y269 F274 G275 I300 I301 | R267-I271 HydrophobicContact CG-CD1 3.76Å; R267-I271 HydrophobicContact CG-CG1 4.27Å; R267-I271 WeakPolarHBondContact O-CG1 3.41Å; R267-I271 PolarHBondContact O-N 2.85Å; Y268-I271 PolarHBondContact O-N 3.12Å; Y269-I271 PolarHBondContact O-N 3.06Å; I271-F274 PolarHBondContact O-N 2.7Å; I271-G275 PolarHBondContact O-N 3.22Å; I271-G275 VanDerWaalsContact O-N 3.07Å; I271-I300 HydrophobicContact CB-CG2 3.69Å; I271-I300 HydrophobicContact CD1-CD1 4.24Å; I271-I300 HydrophobicContact CG2-CB 4.08Å; I271-I300 HydrophobicContact CG2-CG2 3.61Å; I271-I301 HydrophobicContact CG2-CD1 3.47Å; I271-I301 VanDerWaalsContact CG2-CD1 3.47Å; I271-I301 HydrophobicContact CG2-CG1 3.98Å |
| 272 | A | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.7 | -48.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y268 Y269 F274 G275 Y276 I300 Q305 I308 | Y268-A272 WeakPolarHBondContact O-CB 3.31Å; Y268-A272 PolarHBondContact O-N 3.37Å; Y269-A272 PolarHBondContact O-N 2.8Å; A272-F274 PolarHBondContact O-N 3.18Å; A272-G275 PolarHBondContact O-N 2.73Å; A272-G275 VanDerWaalsContact O-N 3.16Å; A272-Y276 PolarHBondContact O-N 3.34Å; A272-I300 HydrophobicContact CB-CG2 4.28Å; A272-Q305 PolarHBondContact O-NE2 3.28Å; A272-Q305 PolarHBondContact O-OE1 2.96Å; A272-I308 HydrophobicContact CB-CD1 3.62Å |
| 273 | A | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.5 | -36.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V64 Y269 Y276 F277 | V64-A273 HydrophobicContact CG1-CB 4.41Å; V64-A273 HydrophobicContact CG2-CB 3.96Å; Y269-A273 HydrophobicContact CD1-CB 4.23Å; Y269-A273 HydrophobicContact CE1-CB 3.83Å; Y269-A273 HydrophobicContact CE2-CB 4.5Å; Y269-A273 WeakPolarHBondContact O-CB 3.38Å; Y269-A273 PolarHBondContact O-N 3.32Å; A273-Y276 PolarHBondContact O-N 3.02Å; A273-F277 HydrophobicContact CB-CD2 4.28Å; A273-F277 HydrophobicContact CB-CE2 4.17Å; A273-F277 WeakPolarHBondContact O-CD2 3.49Å; A273-F277 PolarHBondContact O-N 2.98Å |
| 274 | F | 95.4 | Very high | 96.3 | Very high | 47 Ų | 47 | 29.7 Ų | 29.7 | 21% | 0.206 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.1 | -48.2 | 171 | -85 | -55.3 | 0 | 0 | 0 | 111.2 | V60 L61 V64 R270 I271 A272 Y276 F277 A278 L462 | V60-F274 HydrophobicContact CG1-CD1 3.65Å; V60-F274 HydrophobicContact CG1-CE1 3.98Å; L61-F274 HydrophobicContact CD1-CE1 4.12Å; L61-F274 HydrophobicContact CD1-CZ 3.7Å; V64-F274 HydrophobicContact CB-CE1 4.45Å; V64-F274 HydrophobicContact CG1-CE2 4.42Å; V64-F274 HydrophobicContact CG1-CZ 4.42Å; V64-F274 HydrophobicContact CG2-CD1 4.12Å; V64-F274 HydrophobicContact CG2-CE1 4.19Å; V64-F274 HydrophobicContact CG2-CG 4.49Å; R270-F274 HydrophobicContact CG-CD2 3.55Å; R270-F274 HydrophobicContact CG-CE2 3.35Å; R270-F274 WeakPolarHBondContact O-CB 3.42Å; R270-F274 WeakPolarHBondContact O-CD2 3.26Å; R270-F274 WeakPolarHBondContact O-CG 3.06Å; R270-F274 PolarHBondContact O-N 3.18Å; I271-F274 PolarHBondContact O-N 2.7Å; A272-F274 PolarHBondContact O-N 3.18Å; F274-Y276 VanDerWaalsContact C-N 3.29Å; F274-Y276 PolarHBondContact O-N 3.34Å; F274-F277 PolarHBondContact O-N 3.27Å; F274-A278 WeakPolarHBondContact O-CA 3.45Å; F274-A278 WeakPolarHBondContact O-CB 3.4Å; F274-A278 PolarHBondContact O-N 3.04Å; F274-L462 HydrophobicContact CE2-CD2 4.19Å; F274-L462 HydrophobicContact CZ-CD2 4.25Å |
| 275 | G | 95.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -54.4 | -46.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I271 A272 F279 | I271-G275 PolarHBondContact O-N 3.22Å; I271-G275 VanDerWaalsContact O-N 3.07Å; A272-G275 PolarHBondContact O-N 2.73Å; A272-G275 VanDerWaalsContact O-N 3.16Å; G275-F279 WeakPolarHBondContact O-CB 3.42Å; G275-F279 VanDerWaalsContact O-CD2 3.31Å; G275-F279 WeakPolarHBondContact O-CD2 3.24Å; G275-F279 PolarHBondContact O-N 3.26Å |
| 276 | Y | 97.6 | Very high | 96.5 | Very high | 31 Ų | 31 | 30.7 Ų | 30.7 | 12% | 0.122 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.4 | -56.8 | 179.1 | -170.7 | -96.5 | 0 | 0 | 0 | 112.8 | A272 A273 F274 R280 M281 P283 H309 L311 | A272-Y276 PolarHBondContact O-N 3.34Å; A273-Y276 PolarHBondContact O-N 3.02Å; F274-Y276 VanDerWaalsContact C-N 3.29Å; F274-Y276 PolarHBondContact O-N 3.34Å; Y276-R280 WeakPolarHBondContact O-CA 3.47Å; Y276-R280 PolarHBondContact O-N 2.99Å; Y276-R280 VanDerWaalsContact O-N 3.08Å; Y276-M281 HydrophobicContact CD2-CB 3.54Å; Y276-M281 HydrophobicContact CE2-CB 3.79Å; Y276-M281 HydrophobicContact CG-CB 4.24Å; Y276-M281 PolarHBondContact O-N 3.17Å; Y276-M281 PolarHBondContact OH-O 2.93Å; Y276-P283 WeakPolarHBondContact OH-CD 3.43Å; Y276-H309 WeakPolarHBondContact CB-NE2 3.47Å; Y276-H309 AromaticContact CD1-CE1 3.92Å; Y276-H309 HydrophobicContact CD2-CB 3.76Å; Y276-H309 AromaticContact CD2-CD2 3.58Å; Y276-H309 AromaticContact CD2-CG 3.58Å; Y276-H309 HydrophobicContact CE2-CB 3.76Å; Y276-H309 AromaticContact CE2-CG 3.93Å; Y276-H309 HydrophobicContact CG-CB 4.42Å; Y276-H309 AromaticContact CG-CD2 3.49Å; Y276-H309 VanDerWaalsContact CG-CD2 3.49Å; Y276-H309 AromaticContact CG-CE1 3.95Å; Y276-H309 AromaticContact CG-CG 3.74Å; Y276-H309 AromaticContact CG-NE2 3.65Å; Y276-L311 HydrophobicContact CD2-CD1 4.28Å; Y276-L311 HydrophobicContact CE2-CD1 3.76Å |
| 277 | F | 97.1 | Very high | 96.6 | Very high | 25 Ų | 25 | 30.7 Ų | 30.7 | 11% | 0.11 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -78.4 | -35.8 | -172.1 | -65.5 | -55.6 | 0 | 0 | 0 | 113.1 | V60 R63 V64 A273 F274 | V60-F277 HydrophobicContact CB-CB 4.47Å; V60-F277 HydrophobicContact CG1-CB 3.92Å; V60-F277 HydrophobicContact CG2-CB 4.05Å; R63-F277 HydrophobicContact CG-CE2 4.21Å; R63-F277 HydrophobicContact CG-CZ 4.26Å; V64-F277 HydrophobicContact CG2-CD2 3.92Å; V64-F277 HydrophobicContact CG2-CE2 4.45Å; A273-F277 HydrophobicContact CB-CD2 4.28Å; A273-F277 HydrophobicContact CB-CE2 4.17Å; A273-F277 WeakPolarHBondContact O-CD2 3.49Å; A273-F277 PolarHBondContact O-N 2.98Å; F274-F277 PolarHBondContact O-N 3.27Å |
| 278 | A | 95.4 | Very high | 96.7 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 2% | 0.017 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68 | -41.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V60 F274 A399 M401 | V60-A278 HydrophobicContact CG1-CB 4.47Å; F274-A278 WeakPolarHBondContact O-CA 3.45Å; F274-A278 WeakPolarHBondContact O-CB 3.4Å; F274-A278 PolarHBondContact O-N 3.04Å; A278-A399 HydrophobicContact CB-CB 4.45Å; A278-M401 HydrophobicContact CB-CG 3.94Å; A278-M401 HydrophobicContact CB-SD 3.74Å |
| 279 | F | 96.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -98 | 2.6 | -177.2 | -53.4 | -49.5 | 0 | 0 | 0 | 114.1 | G275 M281 L362 V364 Q384 G386 F388 A399 | G275-F279 WeakPolarHBondContact O-CB 3.42Å; G275-F279 VanDerWaalsContact O-CD2 3.31Å; G275-F279 WeakPolarHBondContact O-CD2 3.24Å; G275-F279 PolarHBondContact O-N 3.26Å; F279-M281 PolarHBondContact O-N 2.87Å; F279-L362 HydrophobicContact CB-CD1 4.32Å; F279-L362 HydrophobicContact CB-CD2 4.02Å; F279-V364 HydrophobicContact CB-CG2 4.13Å; F279-V364 HydrophobicContact CD2-CB 4.46Å; F279-V364 HydrophobicContact CD2-CG1 3.77Å; F279-V364 HydrophobicContact CD2-CG2 3.75Å; F279-V364 HydrophobicContact CE2-CG1 3.74Å; F279-V364 HydrophobicContact CE2-CG2 4.4Å; F279-V364 HydrophobicContact CG-CG2 4.05Å; F279-Q384 PolarHBondContact O-NE2 2.76Å; F279-G386 WeakPolarHBondContact CZ-O 3.47Å; F279-F388 HydrophobicContact CE2-CD1 4.19Å; F279-F388 HydrophobicContact CZ-CB 4.13Å; F279-F388 HydrophobicContact CZ-CD1 4.33Å; F279-A399 HydrophobicContact CE1-CB 4.22Å; F279-A399 HydrophobicContact CZ-CB 4.03Å |
| 280 | R | 95.4 | Very high | 96.5 | Very high | 142 Ų | 142 | 30.4 Ų | 30.4 | 54% | 0.536 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 49 | 176.3 | -51.8 | 176.1 | -176.9 | 166 | 4.1 | 111.5 | Y276 R361 | Y276-R280 WeakPolarHBondContact O-CA 3.47Å; Y276-R280 PolarHBondContact O-N 2.99Å; Y276-R280 VanDerWaalsContact O-N 3.08Å; R280-R361 PolarHBondContact O-NH2 2.97Å |
| 281 | M | 97.4 | Very high | 96.4 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 5% | 0.049 | 14% | 0.141 | C | C | . | . | trans | -62.9 | 154.5 | 165.7 | -66.4 | -179.1 | -178.5 | 0 | 0 | 109.7 | Y276 F279 D285 I287 Q305 L311 V335 L362 V364 | Y276-M281 HydrophobicContact CD2-CB 3.54Å; Y276-M281 HydrophobicContact CE2-CB 3.79Å; Y276-M281 HydrophobicContact CG-CB 4.24Å; Y276-M281 PolarHBondContact O-N 3.17Å; Y276-M281 PolarHBondContact OH-O 2.93Å; F279-M281 PolarHBondContact O-N 2.87Å; M281-D285 WeakPolarHBondContact CA-OD2 3.29Å; M281-I287 HydrophobicContact SD-CD1 4.44Å; M281-Q305 HydrophobicContact CE-CG 4.5Å; M281-Q305 HydrophobicContact SD-CG 3.76Å; M281-L311 HydrophobicContact CB-CD2 4.29Å; M281-L311 HydrophobicContact SD-CD2 4.41Å; M281-V335 HydrophobicContact CE-CG1 4.26Å; M281-L362 HydrophobicContact CE-CD2 4.44Å; M281-L362 HydrophobicContact CG-CD2 4.01Å; M281-V364 HydrophobicContact CE-CB 4.28Å; M281-V364 HydrophobicContact CE-CG1 4.31Å; M281-V364 HydrophobicContact CE-CG2 3.8Å | ||
| 282 | R | 96.3 | Very high | 96.2 | Very high | 132 Ų | 132 | 29.4 Ų | 29.4 | 50% | 0.498 | 14% | 0.137 | S | C | . | . | trans | -124.9 | 152.5 | -174 | -57.5 | 168.7 | -174.4 | -179.6 | 0.1 | 109.3 | D284 D285 L311 | R282-D284 WeakPolarHBondContact CB-OD1 3.41Å; R282-D284 PolarHBondContact O-N 2.85Å; R282-D285 PolarHBondContact N-OD2 3.49Å; R282-D285 WeakPolarHBondContact O-CB 3.49Å; R282-D285 PolarHBondContact O-N 3.05Å; R282-D285 VanDerWaalsContact O-N 3.07Å; R282-L311 WeakPolarHBondContact O-CD1 3.32Å; R282-L311 WeakPolarHBondContact O-CG 3.33Å | ||
| 283 | P | 93.4 | Very high | 96.2 | Very high | 66 Ų | 66 | 29.5 Ų | 29.5 | 43% | 0.429 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -27.5 | -179.5 | -24.3 | 35.4 | 0 | 0 | 0 | 113.8 | K92 Y276 D285 | K92-P283 PolarHBondContact NZ-O 2.85Å; Y276-P283 WeakPolarHBondContact OH-CD 3.43Å; P283-D285 VanDerWaalsContact C-N 3.35Å |
| 284 | D | 96 | Very high | 96.1 | Very high | 113 Ų | 113 | 30.1 Ų | 30.1 | 60% | 0.604 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -2.3 | 179.2 | 61.7 | -44.1 | 0 | 0 | 0 | 114 | R282 | R282-D284 WeakPolarHBondContact CB-OD1 3.41Å; R282-D284 PolarHBondContact O-N 2.85Å |
| 285 | D | 98.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.011 | 14% | 0.139 | C | C | . | . | trans | -67 | 144.5 | 177 | -75.3 | -44.7 | 0 | 0 | 0 | 112.4 | M281 R282 P283 L311 T312 T334 V335 R361 | M281-D285 WeakPolarHBondContact CA-OD2 3.29Å; R282-D285 PolarHBondContact N-OD2 3.49Å; R282-D285 WeakPolarHBondContact O-CB 3.49Å; R282-D285 PolarHBondContact O-N 3.05Å; R282-D285 VanDerWaalsContact O-N 3.07Å; P283-D285 VanDerWaalsContact C-N 3.35Å; D285-L311 HydrophobicContact CB-CD2 3.74Å; D285-L311 HydrophobicContact CB-CG 4.35Å; D285-T312 PolarHBondContact O-N 3.41Å; D285-T334 WeakPolarHBondContact CA-OG1 3.28Å; D285-T334 VanDerWaalsContact CB-OG1 3.29Å; D285-T334 WeakPolarHBondContact CB-OG1 3.47Å; D285-T334 WeakPolarHBondContact OD1-CB 3.46Å; D285-T334 PolarHBondContact OD1-OG1 2.74Å; D285-V335 HydrophobicContact CB-CG2 3.84Å; D285-R361 IonicContact OD1-CZ 3.54Å; D285-R361 IonicContact OD1-NE 3.77Å; D285-R361 PolarHBondContact OD1-NE 3.1Å; D285-R361 IonicContact OD1-NH2 2.63Å; D285-R361 PolarHBondContact OD1-NH2 2.83Å; D285-R361 IonicContact OD2-CZ 3.91Å; D285-R361 IonicContact OD2-NE 3.29Å; D285-R361 IonicContact OD2-NH2 3.48Å; D285-R361 PolarHBondContact OD2-NH2 3.12Å | ||
| 286 | V | 98.8 | Very high | 95.9 | Very high | 23 Ų | 23 | 30.5 Ų | 30.5 | 14% | 0.139 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 117.8 | 170.4 | -178 | 0 | 0 | 0 | 0 | 108 | T312 V314 C333 T334 V335 | V286-T312 WeakPolarHBondContact CA-O 3.4Å; V286-T312 HydrophobicContact CG1-CG2 4.24Å; V286-V314 HydrophobicContact CG1-CG2 3.87Å; V286-C333 WeakPolarHBondContact O-CA 3.11Å; V286-T334 PolarHBondContact N-OG1 2.86Å; V286-T334 VanDerWaalsContact N-OG1 3.09Å; V286-T334 PolarHBondContact O-N 3.01Å; V286-V335 PolarHBondContact O-N 3.46Å; V286-V335 VanDerWaalsContact O-N 3.08Å |
| 287 | I | 98.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123.4 | -177.5 | -53.3 | -179.2 | 0 | 0 | 0 | 109.5 | M281 Q305 L311 T312 V313 V314 V335 Q337 | M281-I287 HydrophobicContact SD-CD1 4.44Å; I287-Q305 HydrophobicContact CD1-CB 3.58Å; I287-Q305 HydrophobicContact CD1-CG 3.58Å; I287-L311 HydrophobicContact CD1-CD2 3.88Å; I287-L311 HydrophobicContact CG1-CD2 4.11Å; I287-T312 PolarHBondContact N-O 3.07Å; I287-V313 HydrophobicContact CB-CG2 4.18Å; I287-V313 HydrophobicContact CD1-CG2 4.33Å; I287-V313 CarbonylContact O-C 3.56Å; I287-V313 WeakPolarHBondContact O-CA 3.06Å; I287-V314 PolarHBondContact O-N 3.03Å; I287-V335 CarbonylContact C-O 3.42Å; I287-V335 WeakPolarHBondContact CA-O 3.38Å; I287-V335 HydrophobicContact CG1-CB 4.09Å; I287-V335 HydrophobicContact CG1-CG1 4.35Å; I287-V335 HydrophobicContact CG2-CG1 4.44Å; I287-Q337 HydrophobicContact CG2-CG 4.29Å |
| 288 | Y | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 110.2 | 164 | -170.7 | -112.1 | 0 | 0 | 0 | 109.6 | C290 V314 K316 F324 D327 V335 Q337 | Y288-C290 HydrophobicContact CD1-CB 4.45Å; Y288-C290 HydrophobicContact CE1-CB 3.9Å; Y288-V314 HydrophobicContact CD2-CB 4.14Å; Y288-V314 HydrophobicContact CD2-CG1 3.96Å; Y288-V314 HydrophobicContact CE2-CG1 4.21Å; Y288-K316 HydrophobicContact CE2-CB 4.08Å; Y288-K316 HydrophobicContact CE2-CG 4.48Å; Y288-K316 WeakPolarHBondContact OH-CD 3.29Å; Y288-K316 VanDerWaalsContact OH-CG 3.31Å; Y288-K316 WeakPolarHBondContact OH-CG 3.33Å; Y288-F324 HydrophobicContact CD1-CD2 4.11Å; Y288-F324 AromaticContact CD1-CE2 3.69Å; Y288-F324 HydrophobicContact CD1-CE2 3.69Å; Y288-F324 HydrophobicContact CD1-CZ 4.03Å; Y288-F324 AromaticContact CE1-CD2 3.52Å; Y288-F324 HydrophobicContact CE1-CD2 3.52Å; Y288-F324 AromaticContact CE1-CE2 3.55Å; Y288-F324 HydrophobicContact CE1-CE2 3.55Å; Y288-F324 HydrophobicContact CE1-CG 4.25Å; Y288-F324 HydrophobicContact CE1-CZ 4.29Å; Y288-D327 HydrophobicContact CE2-CB 3.71Å; Y288-D327 PolarHBondContact OH-OD2 3.39Å; Y288-V335 PolarHBondContact N-O 2.7Å; Y288-Q337 PolarHBondContact O-N 2.91Å |
| 289 | D | 98.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 100.5 | 179.8 | -168.7 | -4 | 0 | 0 | 0 | 111 | L291 G298 V313 V314 K316 Q337 | D289-L291 WeakPolarHBondContact OD1-CB 3.11Å; D289-L291 PolarHBondContact OD1-N 3.45Å; D289-G298 WeakPolarHBondContact OD2-CA 3.44Å; D289-V313 HydrophobicContact CB-CG1 3.73Å; D289-V314 PolarHBondContact N-O 2.9Å; D289-K316 WeakPolarHBondContact O-CB 3.49Å; D289-K316 PolarHBondContact O-N 2.66Å; D289-Q337 PolarHBondContact OD1-NE2 2.92Å; D289-Q337 PolarHBondContact OD2-NE2 3.25Å |
| 290 | C | 93.9 | Very high | 95.7 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | trans | -102.6 | 14.2 | 172.8 | 63.4 | 0 | 0 | 0 | 0 | 113.4 | Y288 K316 F319 | Y288-C290 HydrophobicContact CD1-CB 4.45Å; Y288-C290 HydrophobicContact CE1-CB 3.9Å; C290-K316 HydrophobicContact CB-CB 3.98Å; C290-K316 HydrophobicContact CB-CG 4.08Å; C290-F319 HydrophobicContact CB-CB 4.31Å; C290-F319 HydrophobicContact CB-CD2 4.2Å | ||
| 291 | L | 92.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -95.3 | 149.3 | 177.5 | -58.7 | -175.5 | 0 | 0 | 0 | 110.6 | D289 L293 A297 Q337 I339 I342 | D289-L291 WeakPolarHBondContact OD1-CB 3.11Å; D289-L291 PolarHBondContact OD1-N 3.45Å; L291-L293 PolarHBondContact O-N 3.31Å; L291-A297 HydrophobicContact CB-CB 4.45Å; L291-A297 HydrophobicContact CD1-CB 3.53Å; L291-Q337 HydrophobicContact CD1-CB 3.97Å; L291-Q337 HydrophobicContact CG-CB 4.22Å; L291-I339 HydrophobicContact CD1-CG2 4.25Å; L291-I339 HydrophobicContact CD2-CG1 4.22Å; L291-I339 HydrophobicContact CD2-CG2 4.05Å; L291-I342 HydrophobicContact CD2-CD1 3.68Å |
| 292 | P | 91.3 | Very high | 95.7 | Very high | 7 Ų | 7 | 21.2 Ų | 21.2 | 5% | 0.045 | 11% | 0.108 | C | C | . | . | trans | -62.5 | 133.8 | -177 | -22.5 | 32.2 | 0 | 0 | 0 | 113.4 | S137 F160 Y294 H295 G597 T598 | S137-P292 WeakPolarHBondContact OG-CA 3.19Å; F160-P292 HydrophobicContact CE1-CB 4.08Å; F160-P292 HydrophobicContact CZ-CB 4.43Å; P292-Y294 HydrophobicContact CB-CD1 3.61Å; P292-Y294 HydrophobicContact CB-CD2 4.4Å; P292-Y294 HydrophobicContact CB-CE1 3.28Å; P292-Y294 HydrophobicContact CB-CE2 4.08Å; P292-Y294 HydrophobicContact CB-CG 4.17Å; P292-Y294 HydrophobicContact CG-CE1 3.99Å; P292-Y294 PolarHBondContact O-N 2.79Å; P292-H295 WeakPolarHBondContact O-CB 3.18Å; P292-H295 PolarHBondContact O-N 3.47Å; P292-G597 VanDerWaalsContact CG-O 3.23Å; P292-G597 WeakPolarHBondContact CG-O 3.33Å; P292-T598 HydrophobicContact CG-CG2 4.23Å | ||
| 293 | L | 96.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -9.3 | 179.6 | -65.9 | -174.3 | 0 | 0 | 0 | 114.3 | S137 H141 V142 L291 H295 N299 V303 V315 | S137-L293 PolarHBondContact OG-N 2.98Å; H141-L293 HydrophobicContact CB-CD1 4.16Å; H141-L293 PolarHBondContact CE1-O 3.41Å; V142-L293 HydrophobicContact CG2-CD1 3.98Å; L291-L293 PolarHBondContact O-N 3.31Å; L293-H295 VanDerWaalsContact C-N 3.26Å; L293-N299 WeakPolarHBondContact O-CB 3.46Å; L293-N299 PolarHBondContact O-ND2 2.88Å; L293-V303 HydrophobicContact CD2-CG2 3.71Å; L293-V315 HydrophobicContact CD1-CG1 3.88Å; L293-V315 HydrophobicContact CG-CG1 4.43Å |
| 294 | Y | 94.4 | Very high | 96.1 | Very high | 14 Ų | 14 | 11.8 Ų | 11.8 | 6% | 0.055 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -13.8 | 168.3 | 67.3 | -108.5 | 0 | 0 | 0 | 112.8 | I158 N159 F160 P292 G597 | I158-Y294 WeakPolarHBondContact O-CB 3.07Å; N159-Y294 HydrophobicContact CB-CD1 4.42Å; N159-Y294 HydrophobicContact CB-CD2 3.94Å; N159-Y294 HydrophobicContact CB-CE1 4.07Å; N159-Y294 HydrophobicContact CB-CE2 3.63Å; N159-Y294 HydrophobicContact CB-CG 4.35Å; N159-Y294 VanDerWaalsContact CG-OH 3.26Å; N159-Y294 WeakPolarHBondContact OD1-CE1 3.46Å; N159-Y294 VanDerWaalsContact OD1-CZ 3.22Å; N159-Y294 PolarHBondContact OD1-OH 3.41Å; F160-Y294 AromaticContact CD1-CD1 3.5Å; F160-Y294 HydrophobicContact CD1-CD1 3.5Å; F160-Y294 AromaticContact CD1-CE1 3.47Å; F160-Y294 HydrophobicContact CD1-CE1 3.47Å; F160-Y294 VanDerWaalsContact CD1-CE1 3.47Å; F160-Y294 AromaticContact CE1-CD1 3.68Å; F160-Y294 HydrophobicContact CE1-CD1 3.68Å; F160-Y294 AromaticContact CE1-CE1 3.39Å; F160-Y294 HydrophobicContact CE1-CE1 3.39Å; F160-Y294 HydrophobicContact CE2-CE1 4.47Å; F160-Y294 HydrophobicContact CG-CD1 4.35Å; F160-Y294 HydrophobicContact CG-CE1 4.08Å; F160-Y294 AromaticContact CZ-CE1 3.92Å; F160-Y294 HydrophobicContact CZ-CE1 3.92Å; P292-Y294 HydrophobicContact CB-CD1 3.61Å; P292-Y294 HydrophobicContact CB-CD2 4.4Å; P292-Y294 HydrophobicContact CB-CE1 3.28Å; P292-Y294 HydrophobicContact CB-CE2 4.08Å; P292-Y294 HydrophobicContact CB-CG 4.17Å; P292-Y294 HydrophobicContact CG-CE1 3.99Å; P292-Y294 PolarHBondContact O-N 2.79Å; Y294-G597 WeakPolarHBondContact OH-CA 3.17Å |
| 295 | H | 93 | Very high | 96.2 | Very high | 41 Ų | 41 | 6.4 Ų | 6.4 | 19% | 0.19 | 4% | 0.035 | C | C | . | . | S | Bend | trans | -103.6 | 153.3 | -177.7 | -171.6 | -95.5 | 0 | 0 | 0 | 111.1 | P292 L293 A297 G298 N299 T598 | P292-H295 WeakPolarHBondContact O-CB 3.18Å; P292-H295 PolarHBondContact O-N 3.47Å; L293-H295 VanDerWaalsContact C-N 3.26Å; H295-A297 WeakPolarHBondContact ND1-CB 3.42Å; H295-A297 PolarHBondContact ND1-N 3.09Å; H295-A297 VanDerWaalsContact ND1-N 3.18Å; H295-A297 PolarHBondContact O-N 3.25Å; H295-G298 PolarHBondContact O-N 3.48Å; H295-N299 VanDerWaalsContact O-CB 3.29Å; H295-N299 WeakPolarHBondContact O-CB 3.16Å; H295-N299 PolarHBondContact O-N 2.74Å; H295-T598 HydrophobicContact CB-CG2 4.3Å |
| 296 | S | 94 | Very high | 96.2 | Very high | 16 Ų | 16 | 6.3 Ų | 6.3 | 11% | 0.112 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64.6 | -27.2 | -176 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | I300 I301 T392 | S296-I300 WeakPolarHBondContact O-CA 3.37Å; S296-I300 VanDerWaalsContact O-CB 3.24Å; S296-I300 WeakPolarHBondContact O-CB 3.45Å; S296-I300 PolarHBondContact O-N 2.84Å; S296-I301 PolarHBondContact O-N 2.87Å; S296-I301 VanDerWaalsContact O-N 3.16Å; S296-T392 PolarHBondContact OG-OG1 3.46Å |
| 297 | A | 91.1 | Very high | 96.2 | Very high | 5 Ų | 5 | 5.2 Ų | 5.2 | 4% | 0.041 | 3% | 0.028 | C | C | . | . | I | π-helix | trans | -61.3 | -66.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L291 H295 N299 I301 G302 Q337 | L291-A297 HydrophobicContact CB-CB 4.45Å; L291-A297 HydrophobicContact CD1-CB 3.53Å; H295-A297 WeakPolarHBondContact ND1-CB 3.42Å; H295-A297 PolarHBondContact ND1-N 3.09Å; H295-A297 VanDerWaalsContact ND1-N 3.18Å; H295-A297 PolarHBondContact O-N 3.25Å; A297-N299 PolarHBondContact O-N 2.79Å; A297-I301 WeakPolarHBondContact O-CA 3.39Å; A297-I301 VanDerWaalsContact O-CB 3.27Å; A297-I301 WeakPolarHBondContact O-CB 3.41Å; A297-I301 PolarHBondContact O-N 3.12Å; A297-G302 PolarHBondContact O-N 3.12Å; A297-Q337 VanDerWaalsContact C-OE1 3.31Å; A297-Q337 PolarHBondContact O-OE1 3.1Å |
| 298 | G | 95.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.031 | C | C | . | . | I | π-helix | trans | -62.1 | -44.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D289 H295 G302 V303 | D289-G298 WeakPolarHBondContact OD2-CA 3.44Å; H295-G298 PolarHBondContact O-N 3.48Å; G298-G302 WeakPolarHBondContact O-CA 3.45Å; G298-G302 PolarHBondContact O-N 2.98Å; G298-V303 PolarHBondContact O-N 2.85Å |
| 299 | N | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.038 | C | C | . | . | I | π-helix | trans | -73.5 | -40.9 | -174.1 | -160.6 | -73.3 | 0 | 0 | 0 | 114.5 | W145 Y268 L293 H295 A297 V303 G304 | W145-N299 PolarHBondContact NE1-ND2 3.18Å; Y268-N299 WeakPolarHBondContact CE2-OD1 3.29Å; Y268-N299 PolarHBondContact OH-O 2.96Å; L293-N299 WeakPolarHBondContact O-CB 3.46Å; L293-N299 PolarHBondContact O-ND2 2.88Å; H295-N299 VanDerWaalsContact O-CB 3.29Å; H295-N299 WeakPolarHBondContact O-CB 3.16Å; H295-N299 PolarHBondContact O-N 2.74Å; A297-N299 PolarHBondContact O-N 2.79Å; N299-V303 CarbonylContact O-C 3.48Å; N299-V303 VanDerWaalsContact O-CB 3.29Å; N299-V303 WeakPolarHBondContact O-CB 3.34Å; N299-G304 PolarHBondContact O-N 3.46Å; N299-G304 VanDerWaalsContact O-N 3.08Å |
| 300 | I | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 7.2 Ų | 7.2 | 1% | 0.005 | 4% | 0.038 | C | C | . | . | I | π-helix | trans | -105.9 | -46.1 | -171.3 | -44.2 | -178.3 | 0 | 0 | 0 | 111.3 | F247 I249 V263 Y268 I271 A272 S296 G304 | F247-I300 HydrophobicContact CE2-CD1 4.42Å; F247-I300 HydrophobicContact CZ-CD1 4.31Å; F247-I300 HydrophobicContact CZ-CG1 4.34Å; I249-I300 HydrophobicContact CD1-CD1 4.29Å; V263-I300 HydrophobicContact CG1-CD1 4.13Å; Y268-I300 HydrophobicContact CD1-CG2 4.46Å; Y268-I300 HydrophobicContact CD2-CB 4.38Å; Y268-I300 HydrophobicContact CD2-CD1 3.98Å; Y268-I300 HydrophobicContact CD2-CG1 3.73Å; Y268-I300 HydrophobicContact CD2-CG2 3.99Å; Y268-I300 HydrophobicContact CE2-CB 4.24Å; Y268-I300 HydrophobicContact CE2-CD1 4.46Å; Y268-I300 HydrophobicContact CE2-CG1 3.72Å; Y268-I300 HydrophobicContact CE2-CG2 4.14Å; Y268-I300 HydrophobicContact CG-CG2 4.14Å; Y268-I300 WeakPolarHBondContact O-CG2 3.42Å; I271-I300 HydrophobicContact CB-CG2 3.69Å; I271-I300 HydrophobicContact CD1-CD1 4.24Å; I271-I300 HydrophobicContact CG2-CB 4.08Å; I271-I300 HydrophobicContact CG2-CG2 3.61Å; A272-I300 HydrophobicContact CB-CG2 4.28Å; S296-I300 WeakPolarHBondContact O-CA 3.37Å; S296-I300 VanDerWaalsContact O-CB 3.24Å; S296-I300 WeakPolarHBondContact O-CB 3.45Å; S296-I300 PolarHBondContact O-N 2.84Å; I300-G304 VanDerWaalsContact O-CA 3.26Å; I300-G304 WeakPolarHBondContact O-CA 3.49Å; I300-G304 PolarHBondContact O-N 2.88Å |
| 301 | I | 96.6 | Very high | 96.4 | Very high | 12 Ų | 12 | 7 Ų | 7 | 6% | 0.062 | 4% | 0.036 | C | C | . | . | I | π-helix | trans | -71.8 | -35.1 | 176.7 | -63.7 | -69.4 | 0 | 0 | 0 | 111 | I271 S296 A297 Q305 V364 F388 | I271-I301 HydrophobicContact CG2-CD1 3.47Å; I271-I301 VanDerWaalsContact CG2-CD1 3.47Å; I271-I301 HydrophobicContact CG2-CG1 3.98Å; S296-I301 PolarHBondContact O-N 2.87Å; S296-I301 VanDerWaalsContact O-N 3.16Å; A297-I301 WeakPolarHBondContact O-CA 3.39Å; A297-I301 VanDerWaalsContact O-CB 3.27Å; A297-I301 WeakPolarHBondContact O-CB 3.41Å; A297-I301 PolarHBondContact O-N 3.12Å; I301-Q305 WeakPolarHBondContact O-CG 3.36Å; I301-Q305 PolarHBondContact O-NE2 2.88Å; I301-V364 HydrophobicContact CG2-CG1 3.88Å; I301-F388 HydrophobicContact CD1-CE1 4.43Å; I301-F388 HydrophobicContact CD1-CZ 4.34Å; I301-F388 HydrophobicContact CG1-CE1 4.35Å; I301-F388 HydrophobicContact CG1-CZ 4Å; I301-F388 HydrophobicContact CG2-CE1 4.44Å |
| 302 | G | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.037 | C | C | . | . | I | π-helix | trans | -84.4 | -83.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A297 G298 G304 Q305 | A297-G302 PolarHBondContact O-N 3.12Å; G298-G302 WeakPolarHBondContact O-CA 3.45Å; G298-G302 PolarHBondContact O-N 2.98Å; G302-G304 PolarHBondContact O-N 3.31Å; G302-G304 VanDerWaalsContact O-N 3.14Å; G302-Q305 WeakPolarHBondContact O-CB 3.27Å; G302-Q305 WeakPolarHBondContact O-CG 3.1Å; G302-Q305 PolarHBondContact O-N 3.01Å |
| 303 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -59.3 | -28.9 | -174.4 | 170.2 | 0 | 0 | 0 | 0 | 112.5 | L95 V142 L293 G298 N299 Q305 C306 L307 V313 | L95-V303 HydrophobicContact CD2-CG2 4.41Å; V142-V303 HydrophobicContact CB-CG1 4.42Å; V142-V303 HydrophobicContact CG1-CG1 3.63Å; V142-V303 HydrophobicContact CG2-CB 4.49Å; V142-V303 HydrophobicContact CG2-CG1 3.83Å; V142-V303 HydrophobicContact CG2-CG2 3.96Å; L293-V303 HydrophobicContact CD2-CG2 3.71Å; G298-V303 PolarHBondContact O-N 2.85Å; N299-V303 CarbonylContact O-C 3.48Å; N299-V303 VanDerWaalsContact O-CB 3.29Å; N299-V303 WeakPolarHBondContact O-CB 3.34Å; V303-Q305 PolarHBondContact O-N 3.14Å; V303-C306 WeakPolarHBondContact O-CA 3.39Å; V303-C306 VanDerWaalsContact O-CB 3.27Å; V303-C306 WeakPolarHBondContact O-CB 3.4Å; V303-C306 PolarHBondContact O-N 2.85Å; V303-L307 HydrophobicContact CG1-CD1 3.95Å; V303-L307 HydrophobicContact CG1-CG 4Å; V303-L307 WeakPolarHBondContact O-CG 3.4Å; V303-L307 PolarHBondContact O-N 2.87Å; V303-V313 HydrophobicContact CG2-CG1 4.44Å |
| 304 | G | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -59.5 | -29.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | Y268 N299 I300 G302 L307 I308 | Y268-G304 WeakPolarHBondContact OH-CA 3.42Å; Y268-G304 PolarHBondContact OH-N 2.87Å; N299-G304 PolarHBondContact O-N 3.46Å; N299-G304 VanDerWaalsContact O-N 3.08Å; I300-G304 VanDerWaalsContact O-CA 3.26Å; I300-G304 WeakPolarHBondContact O-CA 3.49Å; I300-G304 PolarHBondContact O-N 2.88Å; G302-G304 PolarHBondContact O-N 3.31Å; G302-G304 VanDerWaalsContact O-N 3.14Å; G304-L307 PolarHBondContact O-N 3.49Å; G304-I308 WeakPolarHBondContact O-CB 3.43Å; G304-I308 WeakPolarHBondContact O-CG1 3.48Å; G304-I308 PolarHBondContact O-N 3.46Å |
| 305 | Q | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -69.7 | -37 | 174.6 | -48.6 | -54.8 | -32.6 | 0 | 0 | 111.8 | A272 M281 I287 I301 G302 V303 H309 G310 L311 | A272-Q305 PolarHBondContact O-NE2 3.28Å; A272-Q305 PolarHBondContact O-OE1 2.96Å; M281-Q305 HydrophobicContact CE-CG 4.5Å; M281-Q305 HydrophobicContact SD-CG 3.76Å; I287-Q305 HydrophobicContact CD1-CB 3.58Å; I287-Q305 HydrophobicContact CD1-CG 3.58Å; I301-Q305 WeakPolarHBondContact O-CG 3.36Å; I301-Q305 PolarHBondContact O-NE2 2.88Å; G302-Q305 WeakPolarHBondContact O-CB 3.27Å; G302-Q305 WeakPolarHBondContact O-CG 3.1Å; G302-Q305 PolarHBondContact O-N 3.01Å; V303-Q305 PolarHBondContact O-N 3.14Å; Q305-H309 CarbonylContact O-C 3.59Å; Q305-H309 WeakPolarHBondContact O-CA 3.29Å; Q305-H309 WeakPolarHBondContact O-CB 3.35Å; Q305-H309 PolarHBondContact O-N 3.08Å; Q305-H309 PolarHBondContact OE1-CD2 3.31Å; Q305-G310 PolarHBondContact O-N 2.88Å; Q305-L311 HydrophobicContact CB-CB 4.15Å; Q305-L311 HydrophobicContact CB-CD2 4.07Å; Q305-L311 PolarHBondContact O-N 2.81Å |
| 306 | C | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -60.9 | -55.4 | 172.4 | 176.5 | 0 | 0 | 0 | 0 | 110.1 | F106 V303 I308 G310 L311 V313 | F106-C306 VanDerWaalsContact CE1-O 3.24Å; F106-C306 WeakPolarHBondContact CE1-O 3.27Å; F106-C306 WeakPolarHBondContact CZ-O 3.25Å; V303-C306 WeakPolarHBondContact O-CA 3.39Å; V303-C306 VanDerWaalsContact O-CB 3.27Å; V303-C306 WeakPolarHBondContact O-CB 3.4Å; V303-C306 PolarHBondContact O-N 2.85Å; C306-I308 PolarHBondContact O-N 3.38Å; C306-G310 WeakPolarHBondContact O-CA 3.46Å; C306-G310 PolarHBondContact O-N 2.99Å; C306-L311 VanDerWaalsContact CA-O 3.23Å; C306-L311 WeakPolarHBondContact CA-O 3.38Å; C306-L311 VanDerWaalsContact CB-O 3.31Å; C306-L311 WeakPolarHBondContact CB-O 3.32Å; C306-L311 PolarHBondContact SG-O 2.89Å; C306-L311 VanDerWaalsContact SG-O 3.41Å; C306-V313 HydrophobicContact CB-CG2 3.75Å |
| 307 | L | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.005 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -71.5 | -28.7 | -169.6 | -57.7 | -177.2 | 0 | 0 | 0 | 114.4 | F82 T85 L109 V142 W145 L146 V303 G304 | F82-L307 WeakPolarHBondContact CA-O 3.43Å; F82-L307 HydrophobicContact CD2-CB 4.08Å; F82-L307 HydrophobicContact CD2-CD2 3.53Å; F82-L307 HydrophobicContact CD2-CG 4.38Å; F82-L307 HydrophobicContact CE2-CD2 3.47Å; F82-L307 VanDerWaalsContact CE2-CD2 3.47Å; F82-L307 HydrophobicContact CG-CD2 4.28Å; F82-L307 HydrophobicContact CZ-CD2 4.19Å; T85-L307 PolarHBondContact OG1-O 3.03Å; L109-L307 HydrophobicContact CD2-CD2 3.81Å; V142-L307 HydrophobicContact CG1-CD1 4.34Å; V142-L307 HydrophobicContact CG1-CD2 4.47Å; W145-L307 HydrophobicContact CH2-CD1 3.42Å; W145-L307 VanDerWaalsContact CH2-CD1 3.42Å; W145-L307 HydrophobicContact CZ2-CD1 3.39Å; L146-L307 HydrophobicContact CD1-CD1 4.04Å; L146-L307 HydrophobicContact CD1-CD2 3.89Å; L146-L307 HydrophobicContact CD2-CD1 4.06Å; L146-L307 HydrophobicContact CG-CD1 4.31Å; V303-L307 HydrophobicContact CG1-CD1 3.95Å; V303-L307 HydrophobicContact CG1-CG 4Å; V303-L307 WeakPolarHBondContact O-CG 3.4Å; V303-L307 PolarHBondContact O-N 2.87Å; G304-L307 PolarHBondContact O-N 3.49Å |
| 308 | I | 98.3 | Very high | 97.1 | Very high | 12 Ų | 12 | 16.1 Ų | 16.1 | 6% | 0.062 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -102.4 | -34.6 | -174.8 | -63.1 | 171.7 | 0 | 0 | 0 | 112.3 | I78 I81 Y268 Y269 A272 G304 C306 | I78-I308 HydrophobicContact CD1-CD1 4.2Å; I81-I308 HydrophobicContact CG2-CB 4.32Å; I81-I308 HydrophobicContact CG2-CG1 4.24Å; I81-I308 HydrophobicContact CG2-CG2 4.09Å; Y268-I308 HydrophobicContact CD1-CD1 3.99Å; Y268-I308 HydrophobicContact CE1-CD1 4Å; Y269-I308 HydrophobicContact CD2-CD1 3.97Å; Y269-I308 HydrophobicContact CD2-CG2 4.03Å; Y269-I308 HydrophobicContact CE2-CG2 3.75Å; A272-I308 HydrophobicContact CB-CD1 3.62Å; G304-I308 WeakPolarHBondContact O-CB 3.43Å; G304-I308 WeakPolarHBondContact O-CG1 3.48Å; G304-I308 PolarHBondContact O-N 3.46Å; C306-I308 PolarHBondContact O-N 3.38Å |
| 309 | H | 97.9 | Very high | 96.8 | Very high | 32 Ų | 32 | 17.3 Ų | 17.3 | 15% | 0.148 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -118.8 | -0.8 | -170.6 | -63.3 | -61.3 | 0 | 0 | 0 | 113.5 | Y276 Q305 L311 | Y276-H309 WeakPolarHBondContact CB-NE2 3.47Å; Y276-H309 AromaticContact CD1-CE1 3.92Å; Y276-H309 HydrophobicContact CD2-CB 3.76Å; Y276-H309 AromaticContact CD2-CD2 3.58Å; Y276-H309 AromaticContact CD2-CG 3.58Å; Y276-H309 HydrophobicContact CE2-CB 3.76Å; Y276-H309 AromaticContact CE2-CG 3.93Å; Y276-H309 HydrophobicContact CG-CB 4.42Å; Y276-H309 AromaticContact CG-CD2 3.49Å; Y276-H309 VanDerWaalsContact CG-CD2 3.49Å; Y276-H309 AromaticContact CG-CE1 3.95Å; Y276-H309 AromaticContact CG-CG 3.74Å; Y276-H309 AromaticContact CG-NE2 3.65Å; Q305-H309 CarbonylContact O-C 3.59Å; Q305-H309 WeakPolarHBondContact O-CA 3.29Å; Q305-H309 WeakPolarHBondContact O-CB 3.35Å; Q305-H309 PolarHBondContact O-N 3.08Å; Q305-H309 PolarHBondContact OE1-CD2 3.31Å; H309-L311 HydrophobicContact CB-CD1 3.76Å |
| 310 | G | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | 78.4 | 16.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K92 F106 Q305 C306 | K92-G310 WeakPolarHBondContact CE-O 3.14Å; K92-G310 PolarHBondContact NZ-O 3.48Å; F106-G310 VanDerWaalsContact CZ-CA 3.48Å; Q305-G310 PolarHBondContact O-N 2.88Å; C306-G310 WeakPolarHBondContact O-CA 3.46Å; C306-G310 PolarHBondContact O-N 2.99Å | ||
| 311 | L | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -72.8 | 156.2 | 178.9 | -85.5 | 70.4 | 0 | 0 | 0 | 111.5 | Y276 M281 R282 D285 I287 Q305 C306 H309 | Y276-L311 HydrophobicContact CD2-CD1 4.28Å; Y276-L311 HydrophobicContact CE2-CD1 3.76Å; M281-L311 HydrophobicContact CB-CD2 4.29Å; M281-L311 HydrophobicContact SD-CD2 4.41Å; R282-L311 WeakPolarHBondContact O-CD1 3.32Å; R282-L311 WeakPolarHBondContact O-CG 3.33Å; D285-L311 HydrophobicContact CB-CD2 3.74Å; D285-L311 HydrophobicContact CB-CG 4.35Å; I287-L311 HydrophobicContact CD1-CD2 3.88Å; I287-L311 HydrophobicContact CG1-CD2 4.11Å; Q305-L311 HydrophobicContact CB-CB 4.15Å; Q305-L311 HydrophobicContact CB-CD2 4.07Å; Q305-L311 PolarHBondContact O-N 2.81Å; C306-L311 VanDerWaalsContact CA-O 3.23Å; C306-L311 WeakPolarHBondContact CA-O 3.38Å; C306-L311 VanDerWaalsContact CB-O 3.31Å; C306-L311 WeakPolarHBondContact CB-O 3.32Å; C306-L311 PolarHBondContact SG-O 2.89Å; C306-L311 VanDerWaalsContact SG-O 3.41Å; H309-L311 HydrophobicContact CB-CD1 3.76Å | ||
| 312 | T | 98.9 | Very high | 95.5 | Very high | 8 Ų | 8 | 21.3 Ų | 21.3 | 5% | 0.049 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 136.1 | 171.3 | -56.8 | 0 | 0 | 0 | 0 | 109.3 | P93 A94 I96 D285 V286 I287 | P93-T312 HydrophobicContact CB-CG2 3.86Å; P93-T312 WeakPolarHBondContact O-CB 3.28Å; P93-T312 WeakPolarHBondContact O-CG2 3.21Å; P93-T312 PolarHBondContact O-OG1 3.02Å; A94-T312 WeakPolarHBondContact O-CA 3.46Å; I96-T312 HydrophobicContact CD1-CG2 3.78Å; I96-T312 HydrophobicContact CG1-CG2 4.16Å; D285-T312 PolarHBondContact O-N 3.41Å; V286-T312 WeakPolarHBondContact CA-O 3.4Å; V286-T312 HydrophobicContact CG1-CG2 4.24Å; I287-T312 PolarHBondContact N-O 3.07Å |
| 313 | V | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 123 | 177.6 | 178.7 | 0 | 0 | 0 | 0 | 110 | A94 L95 I96 I287 D289 V303 C306 V315 | A94-V313 PolarHBondContact O-N 3.16Å; L95-V313 CarbonylContact C-O 3.45Å; L95-V313 WeakPolarHBondContact CA-O 3.37Å; L95-V313 HydrophobicContact CD2-CB 3.98Å; I96-V313 PolarHBondContact N-O 2.91Å; I287-V313 HydrophobicContact CB-CG2 4.18Å; I287-V313 HydrophobicContact CD1-CG2 4.33Å; I287-V313 CarbonylContact O-C 3.56Å; I287-V313 WeakPolarHBondContact O-CA 3.06Å; D289-V313 HydrophobicContact CB-CG1 3.73Å; V303-V313 HydrophobicContact CG2-CG1 4.44Å; C306-V313 HydrophobicContact CB-CG2 3.75Å; V313-V315 HydrophobicContact CG1-CG2 4.19Å |
| 314 | V | 98.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 109.6 | 168.2 | -178.2 | 0 | 0 | 0 | 0 | 107.6 | I96 E98 V286 I287 Y288 D289 Y331 | I96-V314 HydrophobicContact CB-CG2 4.25Å; I96-V314 HydrophobicContact CD1-CG2 4.19Å; I96-V314 CarbonylContact O-C 3.59Å; I96-V314 WeakPolarHBondContact O-CA 3.07Å; E98-V314 HydrophobicContact CB-CG1 4.15Å; V286-V314 HydrophobicContact CG1-CG2 3.87Å; I287-V314 PolarHBondContact O-N 3.03Å; Y288-V314 HydrophobicContact CD2-CB 4.14Å; Y288-V314 HydrophobicContact CD2-CG1 3.96Å; Y288-V314 HydrophobicContact CE2-CG1 4.21Å; D289-V314 PolarHBondContact N-O 2.9Å; V314-Y331 HydrophobicContact CG1-CD2 3.81Å; V314-Y331 HydrophobicContact CG1-CE2 4.21Å; V314-Y331 HydrophobicContact CG1-CG 4.06Å; V314-Y331 HydrophobicContact CG2-CD1 4.46Å; V314-Y331 HydrophobicContact CG2-CD2 4.45Å; V314-Y331 HydrophobicContact CG2-CG 3.93Å |
| 315 | V | 98.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 110.4 | 178.3 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | L95 I96 E98 L293 V313 | L95-V315 HydrophobicContact CD2-CG2 4.24Å; I96-V315 PolarHBondContact O-N 2.83Å; E98-V315 PolarHBondContact N-O 3.39Å; L293-V315 HydrophobicContact CD1-CG1 3.88Å; L293-V315 HydrophobicContact CG-CG1 4.43Å; V313-V315 HydrophobicContact CG1-CG2 4.19Å |
| 316 | K | 96.1 | Very high | 95.2 | Very high | 19 Ų | 19 | 29.9 Ų | 29.9 | 8% | 0.083 | 14% | 0.14 | C | C | . | . | trans | -90.9 | 123.1 | 174.4 | 178.8 | 66.7 | 168.9 | 164.1 | 0 | 109.4 | E98 Y288 D289 C290 K318 D327 | E98-K316 HydrophobicContact CB-CD 3.97Å; E98-K316 VanDerWaalsContact CD-CD 3.48Å; E98-K316 HydrophobicContact CG-CD 3.7Å; E98-K316 IonicContact OE1-NZ 3.24Å; E98-K316 PolarHBondContact OE1-NZ 3.05Å; E98-K316 WeakPolarHBondContact OE2-CD 3.46Å; E98-K316 WeakPolarHBondContact OE2-CE 3.39Å; E98-K316 IonicContact OE2-NZ 3.43Å; E98-K316 PolarHBondContact OE2-NZ 3.04Å; Y288-K316 HydrophobicContact CE2-CB 4.08Å; Y288-K316 HydrophobicContact CE2-CG 4.48Å; Y288-K316 WeakPolarHBondContact OH-CD 3.29Å; Y288-K316 VanDerWaalsContact OH-CG 3.31Å; Y288-K316 WeakPolarHBondContact OH-CG 3.33Å; D289-K316 WeakPolarHBondContact O-CB 3.49Å; D289-K316 PolarHBondContact O-N 2.66Å; C290-K316 HydrophobicContact CB-CB 3.98Å; C290-K316 HydrophobicContact CB-CG 4.08Å; K316-K318 WeakPolarHBondContact CE-O 3.18Å; K316-K318 VanDerWaalsContact CG-O 3.32Å; K316-K318 WeakPolarHBondContact CG-O 3.3Å; K316-K318 PolarHBondContact O-N 2.82Å; K316-D327 WeakPolarHBondContact CE-OD2 3.39Å; K316-D327 IonicContact NZ-OD2 3.91Å; K316-D327 PolarHBondContact NZ-OD2 3.43Å | ||
| 317 | R | 91.6 | Very high | 95.1 | Very high | 99 Ų | 99 | 30 Ų | 30 | 37% | 0.374 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -55.9 | -49.1 | -177.7 | -174.4 | -177.2 | 172.1 | 173.3 | -2.9 | 112.5 | Y97 A99 E136 S137 | Y97-R317 HydrophobicContact CE2-CB 3.97Å; Y97-R317 WeakPolarHBondContact OH-CD 3.19Å; A99-R317 HydrophobicContact CB-CB 4.38Å; E136-R317 HydrophobicContact CB-CG 4.44Å; E136-R317 IonicContact OE2-CZ 2.78Å; E136-R317 IonicContact OE2-NE 2.74Å; E136-R317 PolarHBondContact OE2-NE 3.12Å; E136-R317 IonicContact OE2-NH2 3.65Å; E136-R317 PolarHBondContact OE2-NH2 2.91Å; S137-R317 WeakPolarHBondContact O-CA 3.44Å |
| 318 | K | 85.5 | Confident | 95.1 | Very high | 154 Ų | 154 | 29.9 Ų | 29.9 | 67% | 0.67 | 14% | 0.14 | S | C | * | . | S | Bend | trans | -144.9 | 137.3 | 178.1 | -173.9 | 175.9 | -180 | 178.1 | 0 | 109.2 | K316 | K316-K318 WeakPolarHBondContact CE-O 3.18Å; K316-K318 VanDerWaalsContact CG-O 3.32Å; K316-K318 WeakPolarHBondContact CG-O 3.3Å; K316-K318 PolarHBondContact O-N 2.82Å |
| 319 | F | 88 | Confident | 95.1 | Very high | 25 Ų | 25 | 32.5 Ų | 32.5 | 11% | 0.11 | 15% | 0.153 | C | C | . | . | trans | -57.5 | 140.4 | 176.8 | 170.3 | -103.9 | 0 | 0 | 0 | 111.8 | C290 A321 F324 I342 Y345 F599 | C290-F319 HydrophobicContact CB-CB 4.31Å; C290-F319 HydrophobicContact CB-CD2 4.2Å; F319-A321 HydrophobicContact CE1-CB 3.97Å; F319-A321 HydrophobicContact CZ-CB 3.79Å; F319-F324 HydrophobicContact CD2-CD2 4.17Å; F319-F324 AromaticContact CE2-CD2 3.68Å; F319-F324 HydrophobicContact CE2-CD2 3.68Å; F319-F324 HydrophobicContact CE2-CE2 4.18Å; F319-I342 HydrophobicContact CD1-CG1 4.48Å; F319-I342 HydrophobicContact CD2-CD1 4.01Å; F319-I342 HydrophobicContact CD2-CG1 4.14Å; F319-I342 HydrophobicContact CD2-CG2 4.29Å; F319-I342 HydrophobicContact CE1-CG1 4.34Å; F319-I342 HydrophobicContact CE2-CB 4.29Å; F319-I342 HydrophobicContact CE2-CD1 4.27Å; F319-I342 HydrophobicContact CE2-CG1 3.99Å; F319-I342 HydrophobicContact CE2-CG2 3.54Å; F319-I342 HydrophobicContact CG-CD1 4.35Å; F319-I342 HydrophobicContact CG-CG1 4.38Å; F319-I342 HydrophobicContact CZ-CB 4.33Å; F319-I342 HydrophobicContact CZ-CG1 4.09Å; F319-I342 HydrophobicContact CZ-CG2 3.89Å; F319-Y345 AromaticContact CE1-CD2 3.83Å; F319-Y345 HydrophobicContact CE1-CD2 3.83Å; F319-Y345 HydrophobicContact CE1-CG 4.37Å; F319-Y345 HydrophobicContact CZ-CD2 4.46Å; F319-F599 HydrophobicContact CB-CE2 3.88Å; F319-F599 HydrophobicContact CB-CZ 3.81Å; F319-F599 HydrophobicContact CD1-CE1 4.31Å; F319-F599 HydrophobicContact CD1-CE2 4.13Å; F319-F599 AromaticContact CD1-CZ 3.75Å; F319-F599 HydrophobicContact CD1-CZ 3.75Å; F319-F599 HydrophobicContact CG-CE2 4.24Å; F319-F599 HydrophobicContact CG-CZ 4.16Å | ||
| 320 | S | 90 | Very high | 95.1 | Very high | 33 Ų | 33 | 36.8 Ų | 36.8 | 23% | 0.231 | 17% | 0.171 | C | C | . | . | trans | -140.7 | 113.9 | 172.8 | 173.5 | 0 | 0 | 0 | 0 | 109 | S322 R323 F324 | S320-S322 VanDerWaalsContact C-N 3.32Å; S320-S322 PolarHBondContact O-N 3.05Å; S320-S322 PolarHBondContact OG-OG 2.78Å; S320-R323 PolarHBondContact O-N 2.91Å; S320-F324 PolarHBondContact O-N 3.49Å; S320-F324 VanDerWaalsContact O-N 3.1Å | ||
| 321 | A | 86.6 | Confident | 95.1 | Very high | 18 Ų | 18 | 38 Ų | 38 | 15% | 0.149 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -39.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F319 R323 L346 Q349 | F319-A321 HydrophobicContact CE1-CB 3.97Å; F319-A321 HydrophobicContact CZ-CB 3.79Å; A321-R323 VanDerWaalsContact C-N 3.34Å; A321-R323 PolarHBondContact O-N 3.23Å; A321-L346 HydrophobicContact CB-CD2 4.43Å; A321-Q349 HydrophobicContact CB-CG 3.83Å |
| 322 | S | 89.8 | Confident | 95.1 | Very high | 45 Ų | 45 | 42.3 Ų | 42.3 | 32% | 0.315 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -24.7 | -176.8 | 61.5 | 0 | 0 | 0 | 0 | 113.9 | S320 R352 | S320-S322 VanDerWaalsContact C-N 3.32Å; S320-S322 PolarHBondContact O-N 3.05Å; S320-S322 PolarHBondContact OG-OG 2.78Å; S322-R352 PolarHBondContact O-NH1 3.28Å |
| 323 | R | 94.8 | Very high | 95 | Very high | 112 Ų | 112 | 41.9 Ų | 41.9 | 42% | 0.423 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -12.1 | 179.9 | -66 | -63.9 | -60.1 | -164.4 | -7 | 113.8 | S320 A321 W325 E326 D327 | S320-R323 PolarHBondContact O-N 2.91Å; A321-R323 VanDerWaalsContact C-N 3.34Å; A321-R323 PolarHBondContact O-N 3.23Å; R323-W325 PolarHBondContact O-N 3.08Å; R323-E326 WeakPolarHBondContact CD-OE2 3.39Å; R323-E326 IonicContact CZ-OE2 3.28Å; R323-E326 IonicContact NE-OE2 2.96Å; R323-E326 PolarHBondContact NE-OE2 3.33Å; R323-E326 IonicContact NH1-OE2 2.72Å; R323-E326 PolarHBondContact NH1-OE2 3.15Å; R323-E326 IonicContact NH2-OE2 2.89Å; R323-E326 PolarHBondContact O-N 3.4Å; R323-E326 VanDerWaalsContact O-N 3.11Å; R323-D327 IonicContact NE-OD1 3.74Å; R323-D327 VanDerWaalsContact O-CG 3.28Å; R323-D327 PolarHBondContact O-N 2.93Å |
| 324 | F | 96.5 | Very high | 95 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -49.4 | -53.1 | -170.6 | -171.8 | -87.6 | 0 | 0 | 0 | 114 | Y288 F319 S320 C328 V336 I342 L346 | Y288-F324 HydrophobicContact CD1-CD2 4.11Å; Y288-F324 AromaticContact CD1-CE2 3.69Å; Y288-F324 HydrophobicContact CD1-CE2 3.69Å; Y288-F324 HydrophobicContact CD1-CZ 4.03Å; Y288-F324 AromaticContact CE1-CD2 3.52Å; Y288-F324 HydrophobicContact CE1-CD2 3.52Å; Y288-F324 AromaticContact CE1-CE2 3.55Å; Y288-F324 HydrophobicContact CE1-CE2 3.55Å; Y288-F324 HydrophobicContact CE1-CG 4.25Å; Y288-F324 HydrophobicContact CE1-CZ 4.29Å; F319-F324 HydrophobicContact CD2-CD2 4.17Å; F319-F324 AromaticContact CE2-CD2 3.68Å; F319-F324 HydrophobicContact CE2-CD2 3.68Å; F319-F324 HydrophobicContact CE2-CE2 4.18Å; S320-F324 PolarHBondContact O-N 3.49Å; S320-F324 VanDerWaalsContact O-N 3.1Å; F324-C328 PolarHBondContact O-N 3.02Å; F324-C328 PolarHBondContact O-SG 3.14Å; F324-V336 HydrophobicContact CE1-CB 4.4Å; F324-V336 HydrophobicContact CE1-CG1 3.93Å; F324-V336 HydrophobicContact CZ-CB 3.85Å; F324-V336 HydrophobicContact CZ-CG1 3.79Å; F324-V336 HydrophobicContact CZ-CG2 4.29Å; F324-I342 HydrophobicContact CE2-CG2 4.29Å; F324-L346 HydrophobicContact CB-CD2 3.51Å; F324-L346 HydrophobicContact CD1-CD1 3.84Å; F324-L346 HydrophobicContact CD1-CD2 3.85Å; F324-L346 HydrophobicContact CD2-CD1 4.29Å; F324-L346 HydrophobicContact CD2-CD2 4.16Å; F324-L346 HydrophobicContact CE1-CD1 3.76Å; F324-L346 HydrophobicContact CE2-CD1 4.22Å; F324-L346 HydrophobicContact CG-CD1 4.1Å; F324-L346 HydrophobicContact CG-CD2 3.59Å; F324-L346 HydrophobicContact CG-CG 4.48Å; F324-L346 HydrophobicContact CZ-CD1 3.95Å |
| 325 | W | 97.6 | Very high | 95 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 4% | 0.038 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -75.5 | -31.4 | -177.5 | -63.1 | 119.3 | 0 | 0 | 0 | 113.2 | R323 C328 I329 L346 E355 H358 V360 F376 F380 V382 | R323-W325 PolarHBondContact O-N 3.08Å; W325-C328 HydrophobicContact CE3-CB 4.31Å; W325-C328 PolarHBondContact O-N 3.25Å; W325-I329 VanDerWaalsContact O-CG1 3.26Å; W325-I329 WeakPolarHBondContact O-CG1 3.27Å; W325-I329 PolarHBondContact O-N 3.29Å; W325-L346 HydrophobicContact CZ2-CD1 4.3Å; W325-E355 HydrophobicContact CG-CG 4.43Å; W325-H358 AromaticContact CD2-CD2 3.75Å; W325-H358 HydrophobicContact CE3-CB 4.11Å; W325-H358 AromaticContact CE3-CD2 3.03Å; W325-H358 AromaticContact CE3-CG 3.65Å; W325-H358 AromaticContact CE3-NE2 3.58Å; W325-H358 AromaticContact CH2-NE2 3.64Å; W325-H358 HydrophobicContact CZ3-CB 4.47Å; W325-H358 AromaticContact CZ3-CD2 3.18Å; W325-H358 WeakPolarHBondContact CZ3-CD2 3.44Å; W325-H358 AromaticContact CZ3-CE1 3.78Å; W325-H358 AromaticContact CZ3-CG 3.69Å; W325-H358 AromaticContact CZ3-NE2 3.22Å; W325-H358 WeakPolarHBondContact CZ3-NE2 3.23Å; W325-V360 HydrophobicContact CZ3-CB 4.26Å; W325-V360 HydrophobicContact CZ3-CG2 3.98Å; W325-F376 HydrophobicContact CH2-CZ 4.21Å; W325-F376 HydrophobicContact CZ2-CE2 4.23Å; W325-F376 HydrophobicContact CZ2-CZ 4.29Å; W325-F380 AromaticContact CE2-CD1 3.47Å; W325-F380 VanDerWaalsContact CE2-CD1 3.47Å; W325-F380 AromaticContact CE2-CE1 3.79Å; W325-F380 AromaticContact CE2-CG 3.87Å; W325-F380 HydrophobicContact CH2-CB 3.83Å; W325-F380 HydrophobicContact CH2-CD1 4.42Å; W325-F380 HydrophobicContact CH2-CG 4.05Å; W325-F380 HydrophobicContact CZ2-CB 3.58Å; W325-F380 AromaticContact CZ2-CD1 3.42Å; W325-F380 HydrophobicContact CZ2-CD1 3.42Å; W325-F380 VanDerWaalsContact CZ2-CD1 3.42Å; W325-F380 AromaticContact CZ2-CD2 3.73Å; W325-F380 HydrophobicContact CZ2-CD2 3.73Å; W325-F380 AromaticContact CZ2-CE1 3.99Å; W325-F380 HydrophobicContact CZ2-CE1 3.99Å; W325-F380 HydrophobicContact CZ2-CE2 4.25Å; W325-F380 AromaticContact CZ2-CG 3.27Å; W325-F380 HydrophobicContact CZ2-CG 3.27Å; W325-F380 HydrophobicContact CZ2-CZ 4.37Å; W325-F380 AromaticContact NE1-CD1 3.34Å; W325-F380 VanDerWaalsContact NE1-CD1 3.34Å; W325-F380 AromaticContact NE1-CE1 3.16Å; W325-F380 AromaticContact NE1-CZ 3.8Å; W325-V382 HydrophobicContact CH2-CG2 4.16Å |
| 326 | E | 96.9 | Very high | 95 | Very high | 58 Ų | 58 | 43.1 Ų | 43.1 | 27% | 0.271 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.3 | -41.6 | 173.8 | -68.1 | 172.2 | -164.8 | 0 | 0 | 111 | R323 I329 K330 R352 | R323-E326 WeakPolarHBondContact CD-OE2 3.39Å; R323-E326 IonicContact CZ-OE2 3.28Å; R323-E326 IonicContact NE-OE2 2.96Å; R323-E326 PolarHBondContact NE-OE2 3.33Å; R323-E326 IonicContact NH1-OE2 2.72Å; R323-E326 PolarHBondContact NH1-OE2 3.15Å; R323-E326 IonicContact NH2-OE2 2.89Å; R323-E326 PolarHBondContact O-N 3.4Å; R323-E326 VanDerWaalsContact O-N 3.11Å; E326-I329 PolarHBondContact O-N 2.85Å; E326-K330 WeakPolarHBondContact O-CB 3.4Å; E326-K330 PolarHBondContact O-N 3.33Å; E326-R352 IonicContact OE1-NH1 2.69Å |
| 327 | D | 97.2 | Very high | 95 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.5 | -43.2 | 174.7 | -63.3 | -14.8 | 0 | 0 | 0 | 110.1 | Y288 K316 R323 I329 K330 Y331 | Y288-D327 HydrophobicContact CE2-CB 3.71Å; Y288-D327 PolarHBondContact OH-OD2 3.39Å; K316-D327 WeakPolarHBondContact CE-OD2 3.39Å; K316-D327 IonicContact NZ-OD2 3.91Å; K316-D327 PolarHBondContact NZ-OD2 3.43Å; R323-D327 IonicContact NE-OD1 3.74Å; R323-D327 VanDerWaalsContact O-CG 3.28Å; R323-D327 PolarHBondContact O-N 2.93Å; D327-I329 VanDerWaalsContact C-N 3.29Å; D327-I329 PolarHBondContact O-N 3.22Å; D327-K330 PolarHBondContact O-N 3.23Å; D327-Y331 HydrophobicContact CB-CD2 4.48Å; D327-Y331 WeakPolarHBondContact O-CD2 3.45Å; D327-Y331 PolarHBondContact O-N 3.3Å |
| 328 | C | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59 | -38 | 175.1 | -70.5 | 0 | 0 | 0 | 0 | 113 | F324 W325 N332 C333 H358 V360 | F324-C328 PolarHBondContact O-N 3.02Å; F324-C328 PolarHBondContact O-SG 3.14Å; W325-C328 HydrophobicContact CE3-CB 4.31Å; W325-C328 PolarHBondContact O-N 3.25Å; C328-N332 PolarHBondContact O-N 2.86Å; C328-C333 HydrophobicContact CB-CB 4.06Å; C328-C333 PolarHBondContact O-N 3.47Å; C328-H358 HydrophobicContact CB-CB 4.21Å; C328-V360 HydrophobicContact CB-CG2 4.24Å |
| 329 | I | 98.4 | Very high | 95 | Very high | 66 Ų | 66 | 30.9 Ų | 30.9 | 34% | 0.338 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -68.6 | -52 | 174.7 | -69.1 | 164.5 | 0 | 0 | 0 | 110.1 | W325 E326 D327 Y331 N332 S354 H358 | W325-I329 VanDerWaalsContact O-CG1 3.26Å; W325-I329 WeakPolarHBondContact O-CG1 3.27Å; W325-I329 PolarHBondContact O-N 3.29Å; E326-I329 PolarHBondContact O-N 2.85Å; D327-I329 VanDerWaalsContact C-N 3.29Å; D327-I329 PolarHBondContact O-N 3.22Å; I329-Y331 VanDerWaalsContact C-N 3.25Å; I329-Y331 PolarHBondContact O-N 3.24Å; I329-N332 PolarHBondContact O-N 3.47Å; I329-N332 VanDerWaalsContact O-N 3.11Å; I329-S354 WeakPolarHBondContact CD1-O 3.34Å; I329-H358 HydrophobicContact CG1-CB 4.16Å |
| 330 | K | 97.9 | Very high | 94.5 | Very high | 122 Ų | 122 | 30.1 Ų | 30.1 | 53% | 0.53 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -54.1 | -41.9 | -176.3 | 179.5 | -179.1 | 176.3 | -167 | 0 | 112.3 | E326 D327 | E326-K330 WeakPolarHBondContact O-CB 3.4Å; E326-K330 PolarHBondContact O-N 3.33Å; D327-K330 PolarHBondContact O-N 3.23Å |
| 331 | Y | 98 | Very high | 93.9 | Very high | 27 Ų | 27 | 29.9 Ų | 29.9 | 11% | 0.106 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 9.5 | -176.7 | -58.7 | -72.4 | 0 | 0 | 0 | 114 | I96 E98 V314 D327 I329 C333 | I96-Y331 HydrophobicContact CD1-CD1 4.47Å; I96-Y331 HydrophobicContact CG2-CD1 3.8Å; I96-Y331 HydrophobicContact CG2-CE1 3.59Å; E98-Y331 HydrophobicContact CB-CE2 4.27Å; E98-Y331 HydrophobicContact CG-CE2 3.82Å; E98-Y331 PolarHBondContact O-OH 3.42Å; V314-Y331 HydrophobicContact CG1-CD2 3.81Å; V314-Y331 HydrophobicContact CG1-CE2 4.21Å; V314-Y331 HydrophobicContact CG1-CG 4.06Å; V314-Y331 HydrophobicContact CG2-CD1 4.46Å; V314-Y331 HydrophobicContact CG2-CD2 4.45Å; V314-Y331 HydrophobicContact CG2-CG 3.93Å; D327-Y331 HydrophobicContact CB-CD2 4.48Å; D327-Y331 WeakPolarHBondContact O-CD2 3.45Å; D327-Y331 PolarHBondContact O-N 3.3Å; I329-Y331 VanDerWaalsContact C-N 3.25Å; I329-Y331 PolarHBondContact O-N 3.24Å; Y331-C333 VanDerWaalsContact C-N 3.28Å; Y331-C333 PolarHBondContact O-N 2.88Å |
| 332 | N | 97.8 | Very high | 93.7 | Very high | 89 Ų | 89 | 29 Ų | 29 | 48% | 0.476 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 40.6 | -179.1 | -63.2 | -67.7 | 0 | 0 | 0 | 113.8 | C328 I329 T334 | C328-N332 PolarHBondContact O-N 2.86Å; I329-N332 PolarHBondContact O-N 3.47Å; I329-N332 VanDerWaalsContact O-N 3.11Å; N332-T334 PolarHBondContact O-N 3Å |
| 333 | C | 98.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -63.6 | 132.8 | -178.4 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | V286 C328 Y331 R359 V360 | V286-C333 WeakPolarHBondContact O-CA 3.11Å; C328-C333 HydrophobicContact CB-CB 4.06Å; C328-C333 PolarHBondContact O-N 3.47Å; Y331-C333 VanDerWaalsContact C-N 3.28Å; Y331-C333 PolarHBondContact O-N 2.88Å; C333-R359 CarbonylContact O-C 3.54Å; C333-V360 WeakPolarHBondContact O-CG2 3.3Å; C333-V360 PolarHBondContact O-N 2.09Å | ||
| 334 | T | 98.6 | Very high | 92.9 | Very high | 25 Ų | 25 | 22 Ų | 22 | 15% | 0.153 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -110.1 | -20.6 | 176.4 | 62.5 | 0 | 0 | 0 | 0 | 112 | D285 V286 N332 R359 V360 R361 L362 | D285-T334 WeakPolarHBondContact CA-OG1 3.28Å; D285-T334 VanDerWaalsContact CB-OG1 3.29Å; D285-T334 WeakPolarHBondContact CB-OG1 3.47Å; D285-T334 WeakPolarHBondContact OD1-CB 3.46Å; D285-T334 PolarHBondContact OD1-OG1 2.74Å; V286-T334 PolarHBondContact N-OG1 2.86Å; V286-T334 VanDerWaalsContact N-OG1 3.09Å; V286-T334 PolarHBondContact O-N 3.01Å; N332-T334 PolarHBondContact O-N 3Å; T334-R359 HydrophobicContact CG2-CB 4.45Å; T334-V360 CarbonylContact O-C 3.58Å; T334-V360 WeakPolarHBondContact O-CA 3.49Å; T334-R361 VanDerWaalsContact O-CG 3.3Å; T334-R361 WeakPolarHBondContact O-CG 3.47Å; T334-R361 PolarHBondContact O-N 3.01Å; T334-L362 PolarHBondContact O-N 2.96Å |
| 335 | V | 98.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 136.5 | 176.9 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | M281 D285 V286 I287 Y288 L362 | M281-V335 HydrophobicContact CE-CG1 4.26Å; D285-V335 HydrophobicContact CB-CG2 3.84Å; V286-V335 PolarHBondContact O-N 3.46Å; V286-V335 VanDerWaalsContact O-N 3.08Å; I287-V335 CarbonylContact C-O 3.42Å; I287-V335 WeakPolarHBondContact CA-O 3.38Å; I287-V335 HydrophobicContact CG1-CB 4.09Å; I287-V335 HydrophobicContact CG1-CG1 4.35Å; I287-V335 HydrophobicContact CG2-CG1 4.44Å; Y288-V335 PolarHBondContact N-O 2.7Å; V335-L362 CarbonylContact C-O 3.55Å; V335-L362 VanDerWaalsContact CA-O 3.25Å; V335-L362 WeakPolarHBondContact CA-O 3.23Å; V335-L362 HydrophobicContact CG1-CD2 4.24Å; V335-L362 HydrophobicContact CG1-CG 4.21Å; V335-L362 HydrophobicContact CG2-CB 4.26Å; V335-L362 HydrophobicContact CG2-CD2 4.17Å |
| 336 | V | 98.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 140.4 | 169.6 | -61.7 | 0 | 0 | 0 | 0 | 109.7 | F324 V360 L362 A363 V364 | F324-V336 HydrophobicContact CE1-CB 4.4Å; F324-V336 HydrophobicContact CE1-CG1 3.93Å; F324-V336 HydrophobicContact CZ-CB 3.85Å; F324-V336 HydrophobicContact CZ-CG1 3.79Å; F324-V336 HydrophobicContact CZ-CG2 4.29Å; V336-V360 HydrophobicContact CB-CG1 4.34Å; V336-V360 HydrophobicContact CG1-CB 4.35Å; V336-V360 HydrophobicContact CG1-CG1 3.77Å; V336-V360 HydrophobicContact CG1-CG2 3.61Å; V336-V360 HydrophobicContact CG2-CG1 3.85Å; V336-L362 PolarHBondContact N-O 2.82Å; V336-A363 HydrophobicContact CG2-CB 3.58Å; V336-A363 CarbonylContact O-C 3.49Å; V336-A363 WeakPolarHBondContact O-CA 3.14Å; V336-V364 PolarHBondContact O-N 2.83Å |
| 337 | Q | 96.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 22 Ų | 22 | 1% | 0.014 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 140.7 | 164.2 | -82.3 | -175.9 | 80.4 | 0 | 0 | 110.8 | I287 Y288 D289 L291 A297 V364 | I287-Q337 HydrophobicContact CG2-CG 4.29Å; Y288-Q337 PolarHBondContact O-N 2.91Å; D289-Q337 PolarHBondContact OD1-NE2 2.92Å; D289-Q337 PolarHBondContact OD2-NE2 3.25Å; L291-Q337 HydrophobicContact CD1-CB 3.97Å; L291-Q337 HydrophobicContact CG-CB 4.22Å; A297-Q337 VanDerWaalsContact C-OE1 3.31Å; A297-Q337 PolarHBondContact O-OE1 3.1Å; Q337-V364 CarbonylContact C-O 3.6Å; Q337-V364 VanDerWaalsContact CA-O 3.28Å; Q337-V364 WeakPolarHBondContact CA-O 3.46Å |
| 338 | Y | 92.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 164.4 | 175 | 76.9 | -91.2 | 0 | 0 | 0 | 112.2 | A363 V364 G365 L368 I385 E387 | Y338-A363 HydrophobicContact CD1-CB 3.72Å; Y338-A363 HydrophobicContact CE1-CB 3.99Å; Y338-V364 WeakPolarHBondContact CD1-O 3.36Å; Y338-V364 PolarHBondContact N-O 3.43Å; Y338-G365 WeakPolarHBondContact O-CA 3.08Å; Y338-L368 HydrophobicContact CE2-CB 3.79Å; Y338-L368 HydrophobicContact CE2-CD1 4.28Å; Y338-L368 HydrophobicContact CE2-CD2 4.25Å; Y338-L368 HydrophobicContact CE2-CG 4.34Å; Y338-I385 HydrophobicContact CE1-CG2 4.05Å; Y338-I385 VanDerWaalsContact OH-CG2 3.24Å; Y338-I385 WeakPolarHBondContact OH-CG2 3.46Å; Y338-E387 PolarHBondContact OH-OE2 2.71Å |
| 339 | I | 84.4 | Confident | 89.8 | Confident | 11 Ų | 11 | 27.2 Ų | 27.2 | 6% | 0.056 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 152.7 | 155.5 | 49.9 | 165.6 | 0 | 0 | 0 | 105.4 | L291 E341 I342 N366 T598 F599 | L291-I339 HydrophobicContact CD1-CG2 4.25Å; L291-I339 HydrophobicContact CD2-CG1 4.22Å; L291-I339 HydrophobicContact CD2-CG2 4.05Å; I339-E341 PolarHBondContact O-N 2.92Å; I339-I342 HydrophobicContact CD1-CD1 4.16Å; I339-I342 HydrophobicContact CD1-CG1 4.05Å; I339-I342 HydrophobicContact CG1-CB 4.09Å; I339-I342 HydrophobicContact CG1-CD1 3.63Å; I339-I342 HydrophobicContact CG1-CG1 3.6Å; I339-I342 WeakPolarHBondContact O-CB 3.3Å; I339-I342 PolarHBondContact O-N 2.91Å; I339-N366 WeakPolarHBondContact CA-O 3.24Å; I339-T598 WeakPolarHBondContact CD1-O 3.37Å; I339-F599 HydrophobicContact CD1-CB 3.61Å; I339-F599 HydrophobicContact CD1-CD2 3.64Å; I339-F599 HydrophobicContact CD1-CG 4.07Å |
| 340 | G | 78.2 | Confident | 89.4 | Confident | 9 Ų | 9 | 28.3 Ų | 28.3 | 9% | 0.093 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -47.3 | -40.8 | -172 | 0 | 0 | 0 | 0 | 0 | 114.8 | I342 C343 R344 N366 G367 | G340-I342 PolarHBondContact O-N 2.89Å; G340-C343 WeakPolarHBondContact O-CB 3.47Å; G340-C343 PolarHBondContact O-N 3.39Å; G340-R344 PolarHBondContact O-N 2.87Å; G340-N366 PolarHBondContact N-O 3Å; G340-G367 WeakPolarHBondContact CA-O 3.35Å |
| 341 | E | 76.3 | Confident | 89.2 | Confident | 28 Ų | 28 | 28.2 Ų | 28.2 | 13% | 0.131 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.9 | -31.6 | 179.1 | -67.5 | -54 | 126.6 | 0 | 0 | 114.1 | I339 C343 R344 Y345 F599 | I339-E341 PolarHBondContact O-N 2.92Å; E341-C343 VanDerWaalsContact C-N 3.33Å; E341-C343 PolarHBondContact O-N 3.26Å; E341-R344 PolarHBondContact O-N 3.02Å; E341-R344 IonicContact OE2-CZ 3.83Å; E341-R344 VanDerWaalsContact OE2-CZ 3.23Å; E341-R344 IonicContact OE2-NE 2.91Å; E341-R344 PolarHBondContact OE2-NE 3.19Å; E341-R344 IonicContact OE2-NH2 3.8Å; E341-R344 PolarHBondContact OE2-NH2 3.15Å; E341-Y345 HydrophobicContact CB-CE2 4.23Å; E341-Y345 VanDerWaalsContact O-CD2 3.23Å; E341-Y345 WeakPolarHBondContact O-CD2 3.37Å; E341-Y345 PolarHBondContact O-N 3.37Å; E341-F599 HydrophobicContact CB-CB 4.15Å; E341-F599 WeakPolarHBondContact CG-O 3.28Å |
| 342 | I | 83.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.2 | -44.6 | 173.9 | -75.6 | 176.1 | 0 | 0 | 0 | 110.1 | L291 F319 F324 I339 G340 R344 Y345 L346 F599 | L291-I342 HydrophobicContact CD2-CD1 3.68Å; F319-I342 HydrophobicContact CD1-CG1 4.48Å; F319-I342 HydrophobicContact CD2-CD1 4.01Å; F319-I342 HydrophobicContact CD2-CG1 4.14Å; F319-I342 HydrophobicContact CD2-CG2 4.29Å; F319-I342 HydrophobicContact CE1-CG1 4.34Å; F319-I342 HydrophobicContact CE2-CB 4.29Å; F319-I342 HydrophobicContact CE2-CD1 4.27Å; F319-I342 HydrophobicContact CE2-CG1 3.99Å; F319-I342 HydrophobicContact CE2-CG2 3.54Å; F319-I342 HydrophobicContact CG-CD1 4.35Å; F319-I342 HydrophobicContact CG-CG1 4.38Å; F319-I342 HydrophobicContact CZ-CB 4.33Å; F319-I342 HydrophobicContact CZ-CG1 4.09Å; F319-I342 HydrophobicContact CZ-CG2 3.89Å; F324-I342 HydrophobicContact CE2-CG2 4.29Å; I339-I342 HydrophobicContact CD1-CD1 4.16Å; I339-I342 HydrophobicContact CD1-CG1 4.05Å; I339-I342 HydrophobicContact CG1-CB 4.09Å; I339-I342 HydrophobicContact CG1-CD1 3.63Å; I339-I342 HydrophobicContact CG1-CG1 3.6Å; I339-I342 WeakPolarHBondContact O-CB 3.3Å; I339-I342 PolarHBondContact O-N 2.91Å; G340-I342 PolarHBondContact O-N 2.89Å; I342-R344 VanDerWaalsContact C-N 3.26Å; I342-R344 PolarHBondContact O-N 2.91Å; I342-Y345 PolarHBondContact O-N 2.84Å; I342-L346 HydrophobicContact CG2-CD1 3.95Å; I342-L346 HydrophobicContact CG2-CG 4.39Å; I342-L346 VanDerWaalsContact O-CG 3.26Å; I342-L346 WeakPolarHBondContact O-CG 3.23Å; I342-L346 PolarHBondContact O-N 3.16Å; I342-F599 HydrophobicContact CG1-CD2 4.42Å |
| 343 | C | 86.4 | Confident | 88.5 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.7 | -39 | 177.2 | -66.6 | 0 | 0 | 0 | 0 | 111.4 | G340 E341 L346 L347 L368 V372 F376 | G340-C343 WeakPolarHBondContact O-CB 3.47Å; G340-C343 PolarHBondContact O-N 3.39Å; E341-C343 VanDerWaalsContact C-N 3.33Å; E341-C343 PolarHBondContact O-N 3.26Å; C343-L346 PolarHBondContact O-N 3.41Å; C343-L347 WeakPolarHBondContact O-CG 3.39Å; C343-L347 PolarHBondContact O-N 3.02Å; C343-L368 HydrophobicContact CB-CD1 3.53Å; C343-V372 HydrophobicContact CB-CG1 3.72Å; C343-F376 HydrophobicContact CB-CD2 3.67Å; C343-F376 HydrophobicContact CB-CE2 4.15Å; C343-F376 HydrophobicContact CB-CG 4.18Å |
| 344 | R | 80.3 | Confident | 88.2 | Confident | 9 Ų | 9 | 33.7 Ų | 33.7 | 3% | 0.034 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.9 | -46 | 174.3 | -168.9 | -172.4 | 58.8 | 78.1 | 7.1 | 112.2 | G340 E341 I342 L346 L347 S348 V372 Q536 D538 | G340-R344 PolarHBondContact O-N 2.87Å; E341-R344 PolarHBondContact O-N 3.02Å; E341-R344 IonicContact OE2-CZ 3.83Å; E341-R344 VanDerWaalsContact OE2-CZ 3.23Å; E341-R344 IonicContact OE2-NE 2.91Å; E341-R344 PolarHBondContact OE2-NE 3.19Å; E341-R344 IonicContact OE2-NH2 3.8Å; E341-R344 PolarHBondContact OE2-NH2 3.15Å; I342-R344 VanDerWaalsContact C-N 3.26Å; I342-R344 PolarHBondContact O-N 2.91Å; R344-L346 PolarHBondContact O-N 2.93Å; R344-L347 WeakPolarHBondContact O-CB 3.34Å; R344-L347 PolarHBondContact O-N 3.32Å; R344-L347 VanDerWaalsContact O-N 3.1Å; R344-S348 PolarHBondContact O-N 3.14Å; R344-V372 HydrophobicContact CB-CG1 4.41Å; R344-Q536 WeakPolarHBondContact CD-O 3.29Å; R344-Q536 HydrophobicContact CG-CB 3.89Å; R344-Q536 PolarHBondContact NH1-O 3.17Å; R344-D538 IonicContact CZ-OD1 2.83Å; R344-D538 IonicContact CZ-OD2 3.17Å; R344-D538 IonicContact NH1-OD1 3.12Å; R344-D538 IonicContact NH1-OD2 3.46Å; R344-D538 PolarHBondContact NH1-OD2 3.21Å; R344-D538 IonicContact NH2-OD1 3.04Å; R344-D538 PolarHBondContact NH2-OD1 2.85Å; R344-D538 IonicContact NH2-OD2 2.66Å; R344-D538 PolarHBondContact NH2-OD2 3.08Å |
| 345 | Y | 79.5 | Confident | 87.9 | Confident | 40 Ų | 40 | 32.9 Ų | 32.9 | 16% | 0.157 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.3 | -33.7 | 176.1 | -68.1 | -41.3 | 0 | 0 | 0 | 113.1 | F319 E341 I342 S348 Q349 F599 | F319-Y345 AromaticContact CE1-CD2 3.83Å; F319-Y345 HydrophobicContact CE1-CD2 3.83Å; F319-Y345 HydrophobicContact CE1-CG 4.37Å; F319-Y345 HydrophobicContact CZ-CD2 4.46Å; E341-Y345 HydrophobicContact CB-CE2 4.23Å; E341-Y345 VanDerWaalsContact O-CD2 3.23Å; E341-Y345 WeakPolarHBondContact O-CD2 3.37Å; E341-Y345 PolarHBondContact O-N 3.37Å; I342-Y345 PolarHBondContact O-N 2.84Å; Y345-S348 PolarHBondContact O-OG 3.4Å; Y345-Q349 WeakPolarHBondContact O-CG 3.41Å; Y345-Q349 PolarHBondContact O-N 2.87Å; Y345-Q349 PolarHBondContact O-NE2 2.98Å; Y345-F599 HydrophobicContact CE2-CB 4.16Å; Y345-F599 AromaticContact CE2-CD1 3.7Å; Y345-F599 HydrophobicContact CE2-CD1 3.7Å; Y345-F599 HydrophobicContact CE2-CE1 4.36Å; Y345-F599 HydrophobicContact CE2-CG 4.07Å |
| 346 | L | 89.3 | Confident | 87.5 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.1 | -41.9 | 174.4 | -66.2 | 171.2 | 0 | 0 | 0 | 111 | A321 F324 W325 I342 C343 R344 S348 Q349 F376 F380 | A321-L346 HydrophobicContact CB-CD2 4.43Å; F324-L346 HydrophobicContact CB-CD2 3.51Å; F324-L346 HydrophobicContact CD1-CD1 3.84Å; F324-L346 HydrophobicContact CD1-CD2 3.85Å; F324-L346 HydrophobicContact CD2-CD1 4.29Å; F324-L346 HydrophobicContact CD2-CD2 4.16Å; F324-L346 HydrophobicContact CE1-CD1 3.76Å; F324-L346 HydrophobicContact CE2-CD1 4.22Å; F324-L346 HydrophobicContact CG-CD1 4.1Å; F324-L346 HydrophobicContact CG-CD2 3.59Å; F324-L346 HydrophobicContact CG-CG 4.48Å; F324-L346 HydrophobicContact CZ-CD1 3.95Å; W325-L346 HydrophobicContact CZ2-CD1 4.3Å; I342-L346 HydrophobicContact CG2-CD1 3.95Å; I342-L346 HydrophobicContact CG2-CG 4.39Å; I342-L346 VanDerWaalsContact O-CG 3.26Å; I342-L346 WeakPolarHBondContact O-CG 3.23Å; I342-L346 PolarHBondContact O-N 3.16Å; C343-L346 PolarHBondContact O-N 3.41Å; R344-L346 PolarHBondContact O-N 2.93Å; L346-S348 VanDerWaalsContact C-N 3.27Å; L346-S348 PolarHBondContact O-N 3.43Å; L346-Q349 WeakPolarHBondContact O-CB 3.38Å; L346-Q349 PolarHBondContact O-N 2.69Å; L346-F376 HydrophobicContact CD1-CE2 3.88Å; L346-F380 HydrophobicContact CB-CE2 3.94Å; L346-F380 HydrophobicContact CB-CZ 3.88Å |
| 347 | L | 85.2 | Confident | 87.3 | Confident | 26 Ų | 26 | 43.9 Ų | 43.9 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.2 | -29.1 | 174.5 | -72.5 | 175.5 | 0 | 0 | 0 | 113.2 | C343 R344 Q349 V372 A375 F376 R379 F380 | C343-L347 WeakPolarHBondContact O-CG 3.39Å; C343-L347 PolarHBondContact O-N 3.02Å; R344-L347 WeakPolarHBondContact O-CB 3.34Å; R344-L347 PolarHBondContact O-N 3.32Å; R344-L347 VanDerWaalsContact O-N 3.1Å; L347-Q349 VanDerWaalsContact C-N 3.33Å; L347-V372 HydrophobicContact CD1-CB 4.49Å; L347-V372 HydrophobicContact CD1-CG1 3.9Å; L347-A375 HydrophobicContact CD1-CB 3.73Å; L347-A375 HydrophobicContact CD2-CB 4.1Å; L347-F376 HydrophobicContact CD1-CB 4.43Å; L347-R379 HydrophobicContact CD2-CB 4.2Å; L347-R379 PolarHBondContact O-NH1 3.36Å; L347-F380 HydrophobicContact CD2-CE2 3.83Å; L347-F380 HydrophobicContact CD2-CZ 4.36Å; L347-F380 HydrophobicContact CG-CE2 4.26Å |
| 348 | S | 81.4 | Confident | 87.3 | Confident | 62 Ų | 62 | 44.9 Ų | 44.9 | 43% | 0.434 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -9.6 | 176.9 | 70.4 | 0 | 0 | 0 | 0 | 113.9 | R344 Y345 L346 | R344-S348 PolarHBondContact O-N 3.14Å; Y345-S348 PolarHBondContact O-OG 3.4Å; L346-S348 VanDerWaalsContact C-N 3.27Å; L346-S348 PolarHBondContact O-N 3.43Å |
| 349 | Q | 86.3 | Confident | 87.6 | Confident | 48 Ų | 48 | 53.2 Ų | 53.2 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -68.2 | 149.1 | 174.4 | -66.6 | -52 | -75.4 | 0 | 0 | 111.3 | A321 Y345 L346 L347 R379 | A321-Q349 HydrophobicContact CB-CG 3.83Å; Y345-Q349 WeakPolarHBondContact O-CG 3.41Å; Y345-Q349 PolarHBondContact O-N 2.87Å; Y345-Q349 PolarHBondContact O-NE2 2.98Å; L346-Q349 WeakPolarHBondContact O-CB 3.38Å; L346-Q349 PolarHBondContact O-N 2.69Å; L347-Q349 VanDerWaalsContact C-N 3.33Å; Q349-R379 PolarHBondContact O-NH1 2.75Å; Q349-R379 PolarHBondContact O-NH2 3.04Å |
| 350 | P | 89.4 | Confident | 88.2 | Confident | 89 Ų | 89 | 53 Ų | 53 | 58% | 0.578 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 142.9 | 165.3 | -22.2 | 32.9 | 0 | 0 | 0 | 110.7 | R352 | P350-R352 PolarHBondContact O-N 3.04Š|
| 351 | V | 93.5 | Very high | 89.1 | Confident | 120 Ų | 120 | 54.9 Ų | 54.9 | 73% | 0.727 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 128.5 | 178.9 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | E355 | V351-E355 VanDerWaalsContact CA-OE1 3.31Å; V351-E355 WeakPolarHBondContact CA-OE1 3.36Å |
| 352 | R | 90.9 | Very high | 90.2 | Very high | 85 Ų | 85 | 53.6 Ų | 53.6 | 32% | 0.321 | 28% | 0.282 | S | S | . | . | trans | -125.8 | 150.8 | 178 | -65.9 | 179 | -174.5 | -159.1 | -0.6 | 112.5 | S322 E326 P350 S354 E355 | S322-R352 PolarHBondContact O-NH1 3.28Å; E326-R352 IonicContact OE1-NH1 2.69Å; P350-R352 PolarHBondContact O-N 3.04Å; R352-S354 PolarHBondContact O-N 3.03Å; R352-E355 HydrophobicContact CB-CG 4.4Å; R352-E355 PolarHBondContact N-OE1 3.06Å; R352-E355 VanDerWaalsContact O-CB 3.29Å; R352-E355 WeakPolarHBondContact O-CB 3.47Å; R352-E355 VanDerWaalsContact O-CG 3.32Å; R352-E355 WeakPolarHBondContact O-CG 3.33Å; R352-E355 PolarHBondContact O-N 2.92Å; R352-E355 VanDerWaalsContact O-N 3.13Å | ||
| 353 | P | 90.8 | Very high | 90.8 | Very high | 127 Ų | 127 | 53.6 Ų | 53.6 | 83% | 0.825 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -57.4 | -30 | 174.3 | -26.1 | 35 | 0 | 0 | 0 | 114.3 | E355 K356 | P353-E355 PolarHBondContact O-N 2.96Å; P353-K356 PolarHBondContact O-N 3.3Å |
| 354 | S | 92.6 | Very high | 91.3 | Very high | 18 Ų | 18 | 53.5 Ų | 53.5 | 13% | 0.126 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -62.6 | -21.9 | 178.9 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | I329 R352 K356 G357 | I329-S354 WeakPolarHBondContact CD1-O 3.34Å; R352-S354 PolarHBondContact O-N 3.03Å; S354-K356 PolarHBondContact O-N 3.49Å; S354-K356 VanDerWaalsContact O-N 3.14Å; S354-G357 PolarHBondContact O-N 3.21Å |
| 355 | E | 93.1 | Very high | 91.9 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.037 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -63.5 | -17.4 | 178.7 | -64.8 | 178 | -163.6 | 0 | 0 | 113.9 | W325 V351 R352 P353 H358 R379 F380 | W325-E355 HydrophobicContact CG-CG 4.43Å; V351-E355 VanDerWaalsContact CA-OE1 3.31Å; V351-E355 WeakPolarHBondContact CA-OE1 3.36Å; R352-E355 HydrophobicContact CB-CG 4.4Å; R352-E355 PolarHBondContact N-OE1 3.06Å; R352-E355 VanDerWaalsContact O-CB 3.29Å; R352-E355 WeakPolarHBondContact O-CB 3.47Å; R352-E355 VanDerWaalsContact O-CG 3.32Å; R352-E355 WeakPolarHBondContact O-CG 3.33Å; R352-E355 PolarHBondContact O-N 2.92Å; R352-E355 VanDerWaalsContact O-N 3.13Å; P353-E355 PolarHBondContact O-N 2.96Å; E355-H358 PolarHBondContact O-CD2 2.94Å; E355-H358 VanDerWaalsContact O-CD2 3.25Å; E355-H358 PolarHBondContact O-NE2 3.3Å; E355-H358 VanDerWaalsContact O-NE2 3.13Å; E355-R379 VanDerWaalsContact CD-NH2 3.34Å; E355-R379 IonicContact OE1-CZ 2.65Å; E355-R379 IonicContact OE1-NE 3.04Å; E355-R379 IonicContact OE1-NH2 3.11Å; E355-R379 PolarHBondContact OE1-NH2 3.4Å; E355-R379 IonicContact OE2-CZ 3.46Å; E355-R379 IonicContact OE2-NE 2.74Å; E355-R379 PolarHBondContact OE2-NE 3.09Å; E355-R379 IonicContact OE2-NH2 3.98Å; E355-R379 PolarHBondContact OE2-NH2 2.99Å; E355-F380 HydrophobicContact CB-CD1 3.92Å; E355-F380 HydrophobicContact CB-CE1 4.12Å; E355-F380 HydrophobicContact CG-CD1 4.05Å; E355-F380 HydrophobicContact CG-CE1 3.74Å |
| 356 | K | 89.6 | Confident | 92.4 | Very high | 184 Ų | 184 | 52.7 Ų | 52.7 | 80% | 0.8 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -116.2 | -4.7 | 178 | -63.3 | -172.1 | 177.4 | -176.5 | 0 | 113.8 | P353 S354 | P353-K356 PolarHBondContact O-N 3.3Å; S354-K356 PolarHBondContact O-N 3.49Å; S354-K356 VanDerWaalsContact O-N 3.14Å |
| 357 | G | 94.3 | Very high | 92.1 | Very high | 48 Ų | 48 | 55 Ų | 55 | 50% | 0.495 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -10.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S354 | S354-G357 PolarHBondContact O-N 3.21Š|
| 358 | H | 96.8 | Very high | 92.1 | Very high | 24 Ų | 24 | 54.1 Ų | 54.1 | 11% | 0.111 | 30% | 0.301 | C | S | . | . | trans | -80.2 | 166 | -175.7 | 67.4 | 66.2 | 0 | 0 | 0 | 113.1 | W325 C328 I329 E355 V360 F380 | W325-H358 AromaticContact CD2-CD2 3.75Å; W325-H358 HydrophobicContact CE3-CB 4.11Å; W325-H358 AromaticContact CE3-CD2 3.03Å; W325-H358 AromaticContact CE3-CG 3.65Å; W325-H358 AromaticContact CE3-NE2 3.58Å; W325-H358 AromaticContact CH2-NE2 3.64Å; W325-H358 HydrophobicContact CZ3-CB 4.47Å; W325-H358 AromaticContact CZ3-CD2 3.18Å; W325-H358 WeakPolarHBondContact CZ3-CD2 3.44Å; W325-H358 AromaticContact CZ3-CE1 3.78Å; W325-H358 AromaticContact CZ3-CG 3.69Å; W325-H358 AromaticContact CZ3-NE2 3.22Å; W325-H358 WeakPolarHBondContact CZ3-NE2 3.23Å; C328-H358 HydrophobicContact CB-CB 4.21Å; I329-H358 HydrophobicContact CG1-CB 4.16Å; E355-H358 PolarHBondContact O-CD2 2.94Å; E355-H358 VanDerWaalsContact O-CD2 3.25Å; E355-H358 PolarHBondContact O-NE2 3.3Å; E355-H358 VanDerWaalsContact O-NE2 3.13Å; H358-V360 HydrophobicContact CB-CG2 4.24Å; H358-V360 WeakPolarHBondContact ND1-CB 2.84Å; H358-V360 PolarHBondContact ND1-N 3.04Å; H358-V360 VanDerWaalsContact ND1-N 3.17Å; H358-F380 PolarHBondContact CE1-O 3.14Å; H358-F380 PolarHBondContact NE2-O 2.88Å | ||
| 359 | R | 97 | Very high | 92.2 | Very high | 177 Ų | 177 | 53.4 Ų | 53.4 | 67% | 0.668 | 29% | 0.289 | S | S | * | . | trans | -105.6 | 10.7 | 176.7 | -61.8 | -176.7 | 179.2 | -158.4 | 0.2 | 113.9 | C333 T334 R361 | C333-R359 CarbonylContact O-C 3.54Å; T334-R359 HydrophobicContact CG2-CB 4.45Å; R359-R361 PolarHBondContact O-N 2.94Å; R359-R361 VanDerWaalsContact O-N 3.13Å | ||
| 360 | V | 98.3 | Very high | 92 | Very high | 6 Ų | 6 | 54.5 Ų | 54.5 | 4% | 0.036 | 30% | 0.3 | C | S | . | . | trans | -60.4 | 115.8 | -177.5 | -178.3 | 0 | 0 | 0 | 0 | 110.6 | W325 C328 C333 T334 V336 H358 V382 | W325-V360 HydrophobicContact CZ3-CB 4.26Å; W325-V360 HydrophobicContact CZ3-CG2 3.98Å; C328-V360 HydrophobicContact CB-CG2 4.24Å; C333-V360 WeakPolarHBondContact O-CG2 3.3Å; C333-V360 PolarHBondContact O-N 2.09Å; T334-V360 CarbonylContact O-C 3.58Å; T334-V360 WeakPolarHBondContact O-CA 3.49Å; V336-V360 HydrophobicContact CB-CG1 4.34Å; V336-V360 HydrophobicContact CG1-CB 4.35Å; V336-V360 HydrophobicContact CG1-CG1 3.77Å; V336-V360 HydrophobicContact CG1-CG2 3.61Å; V336-V360 HydrophobicContact CG2-CG1 3.85Å; H358-V360 HydrophobicContact CB-CG2 4.24Å; H358-V360 WeakPolarHBondContact ND1-CB 2.84Å; H358-V360 PolarHBondContact ND1-N 3.04Å; H358-V360 VanDerWaalsContact ND1-N 3.17Å; V360-V382 HydrophobicContact CG1-CG1 4.29Å; V360-V382 HydrophobicContact CG1-CG2 4.07Å | ||
| 361 | R | 97.1 | Very high | 91.5 | Very high | 50 Ų | 50 | 52.4 Ų | 52.4 | 19% | 0.189 | 29% | 0.288 | C | S | . | . | trans | -103.5 | -20.8 | 178.2 | 63.4 | 173 | -165.8 | 85.2 | -8.6 | 112.8 | R280 D285 T334 R359 Q384 | R280-R361 PolarHBondContact O-NH2 2.97Å; D285-R361 IonicContact OD1-CZ 3.54Å; D285-R361 IonicContact OD1-NE 3.77Å; D285-R361 PolarHBondContact OD1-NE 3.1Å; D285-R361 IonicContact OD1-NH2 2.63Å; D285-R361 PolarHBondContact OD1-NH2 2.83Å; D285-R361 IonicContact OD2-CZ 3.91Å; D285-R361 IonicContact OD2-NE 3.29Å; D285-R361 IonicContact OD2-NH2 3.48Å; D285-R361 PolarHBondContact OD2-NH2 3.12Å; T334-R361 VanDerWaalsContact O-CG 3.3Å; T334-R361 WeakPolarHBondContact O-CG 3.47Å; T334-R361 PolarHBondContact O-N 3.01Å; R359-R361 PolarHBondContact O-N 2.94Å; R359-R361 VanDerWaalsContact O-N 3.13Å; R361-Q384 PolarHBondContact O-N 2.98Å | ||
| 362 | L | 97.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 124.4 | -170.4 | 170.1 | 62.3 | 0 | 0 | 0 | 109.5 | F279 M281 T334 V335 V336 V364 Q384 | F279-L362 HydrophobicContact CB-CD1 4.32Å; F279-L362 HydrophobicContact CB-CD2 4.02Å; M281-L362 HydrophobicContact CE-CD2 4.44Å; M281-L362 HydrophobicContact CG-CD2 4.01Å; T334-L362 PolarHBondContact O-N 2.96Å; V335-L362 CarbonylContact C-O 3.55Å; V335-L362 VanDerWaalsContact CA-O 3.25Å; V335-L362 WeakPolarHBondContact CA-O 3.23Å; V335-L362 HydrophobicContact CG1-CD2 4.24Å; V335-L362 HydrophobicContact CG1-CG 4.21Å; V335-L362 HydrophobicContact CG2-CB 4.26Å; V335-L362 HydrophobicContact CG2-CD2 4.17Å; V336-L362 PolarHBondContact N-O 2.82Å; L362-V364 HydrophobicContact CD1-CG2 3.61Å; L362-V364 HydrophobicContact CD2-CG2 3.71Å; L362-V364 HydrophobicContact CG-CG2 3.58Å; L362-Q384 WeakPolarHBondContact CA-O 3.36Å; L362-Q384 HydrophobicContact CD1-CB 4.04Å; L362-Q384 HydrophobicContact CD1-CG 3.8Å |
| 363 | A | 97.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 126.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | V336 Y338 F376 V382 Q384 I385 G386 | V336-A363 HydrophobicContact CG2-CB 3.58Å; V336-A363 CarbonylContact O-C 3.49Å; V336-A363 WeakPolarHBondContact O-CA 3.14Å; Y338-A363 HydrophobicContact CD1-CB 3.72Å; Y338-A363 HydrophobicContact CE1-CB 3.99Å; A363-F376 HydrophobicContact CB-CE1 4.15Å; A363-V382 HydrophobicContact CB-CG1 3.97Å; A363-Q384 PolarHBondContact N-O 3.12Å; A363-I385 HydrophobicContact CB-CD1 3.8Å; A363-I385 CarbonylContact O-C 3.56Å; A363-I385 WeakPolarHBondContact O-CA 3.49Å; A363-G386 PolarHBondContact O-N 3.3Å |
| 364 | V | 96.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 130.9 | -179.2 | 170.9 | 0 | 0 | 0 | 0 | 110 | F279 M281 I301 V336 Q337 Y338 L362 G386 F388 | F279-V364 HydrophobicContact CB-CG2 4.13Å; F279-V364 HydrophobicContact CD2-CB 4.46Å; F279-V364 HydrophobicContact CD2-CG1 3.77Å; F279-V364 HydrophobicContact CD2-CG2 3.75Å; F279-V364 HydrophobicContact CE2-CG1 3.74Å; F279-V364 HydrophobicContact CE2-CG2 4.4Å; F279-V364 HydrophobicContact CG-CG2 4.05Å; M281-V364 HydrophobicContact CE-CB 4.28Å; M281-V364 HydrophobicContact CE-CG1 4.31Å; M281-V364 HydrophobicContact CE-CG2 3.8Å; I301-V364 HydrophobicContact CG2-CG1 3.88Å; V336-V364 PolarHBondContact O-N 2.83Å; Q337-V364 CarbonylContact C-O 3.6Å; Q337-V364 VanDerWaalsContact CA-O 3.28Å; Q337-V364 WeakPolarHBondContact CA-O 3.46Å; Y338-V364 WeakPolarHBondContact CD1-O 3.36Å; Y338-V364 PolarHBondContact N-O 3.43Å; L362-V364 HydrophobicContact CD1-CG2 3.61Å; L362-V364 HydrophobicContact CD2-CG2 3.71Å; L362-V364 HydrophobicContact CG-CG2 3.58Å; V364-G386 WeakPolarHBondContact CA-O 3.3Å; V364-F388 HydrophobicContact CG1-CD1 4.39Å; V364-F388 HydrophobicContact CG1-CE1 4.21Å |
| 365 | G | 92.5 | Very high | 90.6 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176 | -163.7 | -172 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y338 G386 E387 F388 | Y338-G365 WeakPolarHBondContact O-CA 3.08Å; G365-G386 PolarHBondContact N-O 3.33Å; G365-E387 WeakPolarHBondContact O-CA 3.38Å; G365-F388 WeakPolarHBondContact O-CD1 3.39Å; G365-F388 VanDerWaalsContact O-CE1 3.29Å; G365-F388 WeakPolarHBondContact O-CE1 3.44Å; G365-F388 PolarHBondContact O-N 2.89Å |
| 366 | N | 89.4 | Confident | 90.6 | Very high | 28 Ų | 28 | 43.3 Ų | 43.3 | 15% | 0.15 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 155.5 | -179.4 | 64.7 | -31.7 | 0 | 0 | 0 | 113.1 | I339 G340 E387 F388 | I339-N366 WeakPolarHBondContact CA-O 3.24Å; G340-N366 PolarHBondContact N-O 3Å; N366-E387 WeakPolarHBondContact CA-OE1 3.37Å; N366-E387 WeakPolarHBondContact CA-OE2 3.35Å; N366-F388 HydrophobicContact CB-CD2 4.42Å; N366-F388 HydrophobicContact CB-CE2 4.21Å; N366-F388 HydrophobicContact CB-CZ 4.26Å; N366-F388 WeakPolarHBondContact CB-O 3.32Å |
| 367 | G | 84.4 | Confident | 90.8 | Very high | 51 Ų | 51 | 36.5 Ų | 36.5 | 53% | 0.526 | 21% | 0.208 | S | C | . | . | trans | 80.6 | 23.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G340 R369 E387 | G340-G367 WeakPolarHBondContact CA-O 3.35Å; G367-R369 PolarHBondContact O-N 3.37Å; G367-E387 PolarHBondContact N-OE1 3.09Å | ||
| 368 | L | 85.1 | Confident | 90.8 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | trans | -75.8 | 114.1 | 179.9 | -160.6 | 58.7 | 0 | 0 | 0 | 111.4 | Y338 C343 V372 W373 I385 E387 | Y338-L368 HydrophobicContact CE2-CB 3.79Å; Y338-L368 HydrophobicContact CE2-CD1 4.28Å; Y338-L368 HydrophobicContact CE2-CD2 4.25Å; Y338-L368 HydrophobicContact CE2-CG 4.34Å; C343-L368 HydrophobicContact CB-CD1 3.53Å; L368-V372 HydrophobicContact CD1-CB 4.23Å; L368-V372 HydrophobicContact CD1-CG1 3.69Å; L368-W373 HydrophobicContact CB-CE3 4.1Å; L368-W373 HydrophobicContact CD2-CB 3.72Å; L368-W373 HydrophobicContact CD2-CD2 3.77Å; L368-W373 HydrophobicContact CD2-CE3 3.78Å; L368-W373 HydrophobicContact CD2-CG 3.75Å; L368-W373 HydrophobicContact CG-CB 3.86Å; L368-W373 HydrophobicContact CG-CD2 4.47Å; L368-W373 HydrophobicContact CG-CE3 4.18Å; L368-W373 HydrophobicContact CG-CG 4.37Å; L368-I385 HydrophobicContact CD2-CG1 4.43Å; L368-I385 HydrophobicContact CD2-CG2 3.79Å; L368-E387 WeakPolarHBondContact CB-OE2 3.32Å; L368-E387 PolarHBondContact N-OE1 3.43Å; L368-E387 PolarHBondContact N-OE2 2.75Å | ||
| 369 | R | 82.3 | Confident | 90.7 | Very high | 47 Ų | 47 | 43.7 Ų | 43.7 | 18% | 0.177 | 23% | 0.227 | C | C | . | . | trans | -66.7 | 144.4 | 176.3 | -60.8 | 179.3 | -172.5 | -111.8 | 4.5 | 110 | G367 S371 V372 W373 T524 E527 | G367-R369 PolarHBondContact O-N 3.37Å; R369-S371 PolarHBondContact O-N 2.96Å; R369-V372 HydrophobicContact CB-CB 4.37Å; R369-V372 HydrophobicContact CB-CG2 4.15Å; R369-V372 PolarHBondContact O-N 3.23Å; R369-V372 VanDerWaalsContact O-N 3.14Å; R369-W373 PolarHBondContact O-N 2.92Å; R369-T524 PolarHBondContact NH1-O 3.38Å; R369-E527 IonicContact NH2-OE2 2.71Å; R369-E527 PolarHBondContact NH2-OE2 3.42Å; R369-E527 VanDerWaalsContact NH2-OE2 3.11Å | ||
| 370 | P | 82.6 | Confident | 90.7 | Very high | 70 Ų | 70 | 35.5 Ų | 35.5 | 46% | 0.455 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -51.9 | -47.2 | -178.4 | -27.8 | 33.1 | 0 | 0 | 0 | 114.5 | V372 W373 E374 V405 | P370-V372 PolarHBondContact O-N 3.15Å; P370-W373 WeakPolarHBondContact O-CB 3.45Å; P370-W373 PolarHBondContact O-N 3.33Å; P370-E374 PolarHBondContact O-N 3.46Å; P370-V405 HydrophobicContact CB-CG1 3.99Å |
| 371 | S | 77.9 | Confident | 90.6 | Very high | 46 Ų | 46 | 38 Ų | 38 | 32% | 0.322 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.4 | -40.8 | 179.6 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | R369 A375 | R369-S371 PolarHBondContact O-N 2.96Å; S371-A375 WeakPolarHBondContact O-CB 3.17Å; S371-A375 PolarHBondContact O-N 3.17Å |
| 372 | V | 81.6 | Confident | 90.5 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.2 | -38.2 | 176.8 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | C343 R344 L347 L368 R369 P370 F376 | C343-V372 HydrophobicContact CB-CG1 3.72Å; R344-V372 HydrophobicContact CB-CG1 4.41Å; L347-V372 HydrophobicContact CD1-CB 4.49Å; L347-V372 HydrophobicContact CD1-CG1 3.9Å; L368-V372 HydrophobicContact CD1-CB 4.23Å; L368-V372 HydrophobicContact CD1-CG1 3.69Å; R369-V372 HydrophobicContact CB-CB 4.37Å; R369-V372 HydrophobicContact CB-CG2 4.15Å; R369-V372 PolarHBondContact O-N 3.23Å; R369-V372 VanDerWaalsContact O-N 3.14Å; P370-V372 PolarHBondContact O-N 3.15Å; V372-F376 WeakPolarHBondContact O-CB 3.11Å; V372-F376 PolarHBondContact O-N 3.49Å |
| 373 | W | 90.1 | Very high | 90.2 | Very high | 11 Ų | 11 | 39.4 Ų | 39.4 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.9 | -56.8 | 178.4 | -174.7 | -47.9 | 0 | 0 | 0 | 111.1 | L368 R369 P370 F376 T377 I385 E387 N400 V405 | L368-W373 HydrophobicContact CB-CE3 4.1Å; L368-W373 HydrophobicContact CD2-CB 3.72Å; L368-W373 HydrophobicContact CD2-CD2 3.77Å; L368-W373 HydrophobicContact CD2-CE3 3.78Å; L368-W373 HydrophobicContact CD2-CG 3.75Å; L368-W373 HydrophobicContact CG-CB 3.86Å; L368-W373 HydrophobicContact CG-CD2 4.47Å; L368-W373 HydrophobicContact CG-CE3 4.18Å; L368-W373 HydrophobicContact CG-CG 4.37Å; R369-W373 PolarHBondContact O-N 2.92Å; P370-W373 WeakPolarHBondContact O-CB 3.45Å; P370-W373 PolarHBondContact O-N 3.33Å; W373-F376 PolarHBondContact O-N 3.25Å; W373-T377 WeakPolarHBondContact O-CG2 3.46Å; W373-T377 PolarHBondContact O-N 3.26Å; W373-T377 PolarHBondContact O-OG1 2.68Å; W373-T377 VanDerWaalsContact O-OG1 3.12Å; W373-I385 HydrophobicContact CD2-CB 4.28Å; W373-I385 HydrophobicContact CD2-CG1 4.22Å; W373-I385 HydrophobicContact CD2-CG2 4.08Å; W373-I385 HydrophobicContact CE3-CG2 4.09Å; W373-I385 HydrophobicContact CG-CG1 4.47Å; W373-I385 HydrophobicContact CH2-CB 3.87Å; W373-I385 HydrophobicContact CH2-CG2 3.64Å; W373-I385 HydrophobicContact CZ2-CB 3.38Å; W373-I385 HydrophobicContact CZ2-CG1 3.96Å; W373-I385 HydrophobicContact CZ2-CG2 3.67Å; W373-I385 HydrophobicContact CZ3-CG2 3.87Å; W373-E387 HydrophobicContact CH2-CB 3.9Å; W373-E387 HydrophobicContact CZ3-CB 3.63Å; W373-E387 HydrophobicContact CZ3-CG 4.07Å; W373-N400 WeakPolarHBondContact CH2-ND2 3.28Å; W373-V405 HydrophobicContact CB-CG1 4.37Å; W373-V405 HydrophobicContact CD2-CG2 4.48Å; W373-V405 HydrophobicContact CG-CG1 4.33Å; W373-V405 HydrophobicContact CG-CG2 4.4Å |
| 374 | E | 89.9 | Confident | 90.1 | Very high | 112 Ų | 112 | 42 Ų | 42 | 52% | 0.523 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.7 | -51.4 | -175.1 | -68.9 | 174.1 | 159.9 | 0 | 0 | 110.3 | P370 F376 T377 E378 V405 | P370-E374 PolarHBondContact O-N 3.46Å; E374-F376 VanDerWaalsContact C-N 3.32Å; E374-F376 PolarHBondContact O-N 3.2Å; E374-T377 PolarHBondContact O-N 3Å; E374-T377 PolarHBondContact O-OG1 2.72Å; E374-E378 WeakPolarHBondContact O-CB 3.44Å; E374-E378 PolarHBondContact O-N 3.48Å; E374-V405 HydrophobicContact CG-CG1 4.07Å; E374-V405 HydrophobicContact CG-CG2 4.34Å |
| 375 | A | 88.5 | Confident | 90 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 31% | 0.314 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L347 S371 R379 | L347-A375 HydrophobicContact CD1-CB 3.73Å; L347-A375 HydrophobicContact CD2-CB 4.1Å; S371-A375 WeakPolarHBondContact O-CB 3.17Å; S371-A375 PolarHBondContact O-N 3.17Å; A375-R379 VanDerWaalsContact O-CB 3.31Å; A375-R379 WeakPolarHBondContact O-CB 3.28Å; A375-R379 PolarHBondContact O-N 2.82Å |
| 376 | F | 93.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.5 | -47.4 | 177.8 | 178.6 | -88.4 | 0 | 0 | 0 | 111.4 | W325 C343 L346 L347 A363 V372 W373 E374 E378 F380 V382 I385 | W325-F376 HydrophobicContact CH2-CZ 4.21Å; W325-F376 HydrophobicContact CZ2-CE2 4.23Å; W325-F376 HydrophobicContact CZ2-CZ 4.29Å; C343-F376 HydrophobicContact CB-CD2 3.67Å; C343-F376 HydrophobicContact CB-CE2 4.15Å; C343-F376 HydrophobicContact CB-CG 4.18Å; L346-F376 HydrophobicContact CD1-CE2 3.88Å; L347-F376 HydrophobicContact CD1-CB 4.43Å; A363-F376 HydrophobicContact CB-CE1 4.15Å; V372-F376 WeakPolarHBondContact O-CB 3.11Å; V372-F376 PolarHBondContact O-N 3.49Å; W373-F376 PolarHBondContact O-N 3.25Å; E374-F376 VanDerWaalsContact C-N 3.32Å; E374-F376 PolarHBondContact O-N 3.2Å; F376-E378 VanDerWaalsContact C-N 3.33Å; F376-E378 PolarHBondContact O-N 3.05Å; F376-F380 AromaticContact CD2-CD2 3.39Å; F376-F380 HydrophobicContact CD2-CD2 3.39Å; F376-F380 AromaticContact CD2-CE2 3.56Å; F376-F380 HydrophobicContact CD2-CE2 3.56Å; F376-F380 AromaticContact CE2-CD2 3.52Å; F376-F380 HydrophobicContact CE2-CD2 3.52Å; F376-F380 AromaticContact CE2-CE2 3.85Å; F376-F380 HydrophobicContact CE2-CE2 3.85Å; F376-F380 HydrophobicContact CE2-CG 4.49Å; F376-F380 AromaticContact CG-CD2 3.91Å; F376-F380 HydrophobicContact CG-CD2 3.91Å; F376-F380 HydrophobicContact CG-CE2 4.37Å; F376-F380 HydrophobicContact CZ-CD2 4.17Å; F376-F380 VanDerWaalsContact O-CD2 3.31Å; F376-F380 WeakPolarHBondContact O-CD2 3.43Å; F376-F380 PolarHBondContact O-N 3.34Å; F376-F380 VanDerWaalsContact O-N 3.12Å; F376-V382 HydrophobicContact CE1-CB 3.97Å; F376-V382 HydrophobicContact CE1-CG1 4.37Å; F376-V382 HydrophobicContact CE1-CG2 3.8Å; F376-V382 HydrophobicContact CZ-CG2 4.19Å; F376-I385 HydrophobicContact CD1-CD1 4.01Å; F376-I385 HydrophobicContact CE1-CD1 4.05Å |
| 377 | T | 94.3 | Very high | 90.5 | Very high | 42 Ų | 42 | 41.3 Ų | 41.3 | 26% | 0.258 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 179.3 | 52.2 | 0 | 0 | 0 | 0 | 112.3 | W373 E374 G381 I385 | W373-T377 WeakPolarHBondContact O-CG2 3.46Å; W373-T377 PolarHBondContact O-N 3.26Å; W373-T377 PolarHBondContact O-OG1 2.68Å; W373-T377 VanDerWaalsContact O-OG1 3.12Å; E374-T377 PolarHBondContact O-N 3Å; E374-T377 PolarHBondContact O-OG1 2.72Å; T377-G381 WeakPolarHBondContact O-CA 3.1Å; T377-G381 PolarHBondContact O-N 2.67Å; T377-I385 HydrophobicContact CG2-CD1 3.85Å; T377-I385 HydrophobicContact CG2-CG1 3.63Å |
| 378 | E | 93.8 | Very high | 90.9 | Very high | 168 Ų | 168 | 40.5 Ų | 40.5 | 79% | 0.785 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -68.8 | -48.4 | 179 | -175.7 | 175.4 | -171.1 | 0 | 0 | 111.9 | E374 F376 | E374-E378 WeakPolarHBondContact O-CB 3.44Å; E374-E378 PolarHBondContact O-N 3.48Å; F376-E378 VanDerWaalsContact C-N 3.33Å; F376-E378 PolarHBondContact O-N 3.05Å |
| 379 | R | 94.9 | Very high | 91.4 | Very high | 55 Ų | 55 | 40.8 Ų | 40.8 | 21% | 0.208 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.9 | -45.3 | -176 | -178 | 174.2 | 172.4 | 174.3 | -9.4 | 112.9 | L347 Q349 E355 A375 | L347-R379 HydrophobicContact CD2-CB 4.2Å; L347-R379 PolarHBondContact O-NH1 3.36Å; Q349-R379 PolarHBondContact O-NH1 2.75Å; Q349-R379 PolarHBondContact O-NH2 3.04Å; E355-R379 VanDerWaalsContact CD-NH2 3.34Å; E355-R379 IonicContact OE1-CZ 2.65Å; E355-R379 IonicContact OE1-NE 3.04Å; E355-R379 IonicContact OE1-NH2 3.11Å; E355-R379 PolarHBondContact OE1-NH2 3.4Å; E355-R379 IonicContact OE2-CZ 3.46Å; E355-R379 IonicContact OE2-NE 2.74Å; E355-R379 PolarHBondContact OE2-NE 3.09Å; E355-R379 IonicContact OE2-NH2 3.98Å; E355-R379 PolarHBondContact OE2-NH2 2.99Å; A375-R379 VanDerWaalsContact O-CB 3.31Å; A375-R379 WeakPolarHBondContact O-CB 3.28Å; A375-R379 PolarHBondContact O-N 2.82Å |
| 380 | F | 96.7 | Very high | 91.8 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 2% | 0.022 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -101.2 | -3.2 | -170.9 | -53.9 | -62.4 | 0 | 0 | 0 | 113.4 | W325 L346 L347 E355 H358 F376 V382 | W325-F380 AromaticContact CE2-CD1 3.47Å; W325-F380 VanDerWaalsContact CE2-CD1 3.47Å; W325-F380 AromaticContact CE2-CE1 3.79Å; W325-F380 AromaticContact CE2-CG 3.87Å; W325-F380 HydrophobicContact CH2-CB 3.83Å; W325-F380 HydrophobicContact CH2-CD1 4.42Å; W325-F380 HydrophobicContact CH2-CG 4.05Å; W325-F380 HydrophobicContact CZ2-CB 3.58Å; W325-F380 AromaticContact CZ2-CD1 3.42Å; W325-F380 HydrophobicContact CZ2-CD1 3.42Å; W325-F380 VanDerWaalsContact CZ2-CD1 3.42Å; W325-F380 AromaticContact CZ2-CD2 3.73Å; W325-F380 HydrophobicContact CZ2-CD2 3.73Å; W325-F380 AromaticContact CZ2-CE1 3.99Å; W325-F380 HydrophobicContact CZ2-CE1 3.99Å; W325-F380 HydrophobicContact CZ2-CE2 4.25Å; W325-F380 AromaticContact CZ2-CG 3.27Å; W325-F380 HydrophobicContact CZ2-CG 3.27Å; W325-F380 HydrophobicContact CZ2-CZ 4.37Å; W325-F380 AromaticContact NE1-CD1 3.34Å; W325-F380 VanDerWaalsContact NE1-CD1 3.34Å; W325-F380 AromaticContact NE1-CE1 3.16Å; W325-F380 AromaticContact NE1-CZ 3.8Å; L346-F380 HydrophobicContact CB-CE2 3.94Å; L346-F380 HydrophobicContact CB-CZ 3.88Å; L347-F380 HydrophobicContact CD2-CE2 3.83Å; L347-F380 HydrophobicContact CD2-CZ 4.36Å; L347-F380 HydrophobicContact CG-CE2 4.26Å; E355-F380 HydrophobicContact CB-CD1 3.92Å; E355-F380 HydrophobicContact CB-CE1 4.12Å; E355-F380 HydrophobicContact CG-CD1 4.05Å; E355-F380 HydrophobicContact CG-CE1 3.74Å; H358-F380 PolarHBondContact CE1-O 3.14Å; H358-F380 PolarHBondContact NE2-O 2.88Å; F376-F380 AromaticContact CD2-CD2 3.39Å; F376-F380 HydrophobicContact CD2-CD2 3.39Å; F376-F380 AromaticContact CD2-CE2 3.56Å; F376-F380 HydrophobicContact CD2-CE2 3.56Å; F376-F380 AromaticContact CE2-CD2 3.52Å; F376-F380 HydrophobicContact CE2-CD2 3.52Å; F376-F380 AromaticContact CE2-CE2 3.85Å; F376-F380 HydrophobicContact CE2-CE2 3.85Å; F376-F380 HydrophobicContact CE2-CG 4.49Å; F376-F380 AromaticContact CG-CD2 3.91Å; F376-F380 HydrophobicContact CG-CD2 3.91Å; F376-F380 HydrophobicContact CG-CE2 4.37Å; F376-F380 HydrophobicContact CZ-CD2 4.17Å; F376-F380 VanDerWaalsContact O-CD2 3.31Å; F376-F380 WeakPolarHBondContact O-CD2 3.43Å; F376-F380 PolarHBondContact O-N 3.34Å; F376-F380 VanDerWaalsContact O-N 3.12Å; F380-V382 HydrophobicContact CB-CG2 4.16Å; F380-V382 PolarHBondContact O-N 2.9Å |
| 381 | G | 94.9 | Very high | 92 | Very high | 58 Ų | 58 | 38 Ų | 38 | 60% | 0.598 | 24% | 0.237 | S | C | * | . | trans | 63.8 | 26.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T377 G383 | T377-G381 WeakPolarHBondContact O-CA 3.1Å; T377-G381 PolarHBondContact O-N 2.67Å; G381-G383 PolarHBondContact O-N 2.65Å | ||
| 382 | V | 95.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | trans | -79 | 104.5 | 178 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | W325 V360 A363 F376 F380 Q384 I385 | W325-V382 HydrophobicContact CH2-CG2 4.16Å; V360-V382 HydrophobicContact CG1-CG1 4.29Å; V360-V382 HydrophobicContact CG1-CG2 4.07Å; A363-V382 HydrophobicContact CB-CG1 3.97Å; F376-V382 HydrophobicContact CE1-CB 3.97Å; F376-V382 HydrophobicContact CE1-CG1 4.37Å; F376-V382 HydrophobicContact CE1-CG2 3.8Å; F376-V382 HydrophobicContact CZ-CG2 4.19Å; F380-V382 HydrophobicContact CB-CG2 4.16Å; F380-V382 PolarHBondContact O-N 2.9Å; V382-Q384 VanDerWaalsContact C-N 3.3Å; V382-Q384 PolarHBondContact O-N 3.18Å; V382-I385 HydrophobicContact CG1-CD1 4.22Å | ||
| 383 | G | 90.9 | Very high | 92.7 | Very high | 78 Ų | 78 | 36.4 Ų | 36.4 | 80% | 0.804 | 23% | 0.225 | S | C | * | . | trans | -70.6 | -13.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | G381 | G381-G383 PolarHBondContact O-N 2.65Š| ||
| 384 | Q | 95.6 | Very high | 92.5 | Very high | 55 Ų | 55 | 36 Ų | 36 | 26% | 0.257 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 129 | 178.3 | -171.1 | -174.6 | -15.9 | 0 | 0 | 111.3 | F279 R361 L362 A363 V382 | F279-Q384 PolarHBondContact O-NE2 2.76Å; R361-Q384 PolarHBondContact O-N 2.98Å; L362-Q384 WeakPolarHBondContact CA-O 3.36Å; L362-Q384 HydrophobicContact CD1-CB 4.04Å; L362-Q384 HydrophobicContact CD1-CG 3.8Å; A363-Q384 PolarHBondContact N-O 3.12Å; V382-Q384 VanDerWaalsContact C-N 3.3Å; V382-Q384 PolarHBondContact O-N 3.18Å |
| 385 | I | 96.3 | Very high | 92.4 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 119 | 167.7 | -55.2 | -56.9 | 0 | 0 | 0 | 108.4 | Y338 A363 L368 W373 F376 T377 V382 E387 | Y338-I385 HydrophobicContact CE1-CG2 4.05Å; Y338-I385 VanDerWaalsContact OH-CG2 3.24Å; Y338-I385 WeakPolarHBondContact OH-CG2 3.46Å; A363-I385 HydrophobicContact CB-CD1 3.8Å; A363-I385 CarbonylContact O-C 3.56Å; A363-I385 WeakPolarHBondContact O-CA 3.49Å; L368-I385 HydrophobicContact CD2-CG1 4.43Å; L368-I385 HydrophobicContact CD2-CG2 3.79Å; W373-I385 HydrophobicContact CD2-CB 4.28Å; W373-I385 HydrophobicContact CD2-CG1 4.22Å; W373-I385 HydrophobicContact CD2-CG2 4.08Å; W373-I385 HydrophobicContact CE3-CG2 4.09Å; W373-I385 HydrophobicContact CG-CG1 4.47Å; W373-I385 HydrophobicContact CH2-CB 3.87Å; W373-I385 HydrophobicContact CH2-CG2 3.64Å; W373-I385 HydrophobicContact CZ2-CB 3.38Å; W373-I385 HydrophobicContact CZ2-CG1 3.96Å; W373-I385 HydrophobicContact CZ2-CG2 3.67Å; W373-I385 HydrophobicContact CZ3-CG2 3.87Å; F376-I385 HydrophobicContact CD1-CD1 4.01Å; F376-I385 HydrophobicContact CE1-CD1 4.05Å; T377-I385 HydrophobicContact CG2-CD1 3.85Å; T377-I385 HydrophobicContact CG2-CG1 3.63Å; V382-I385 HydrophobicContact CG1-CD1 4.22Å; I385-E387 HydrophobicContact CG2-CB 4.35Å |
| 386 | G | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 81.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | F279 A363 V364 G365 | F279-G386 WeakPolarHBondContact CZ-O 3.47Å; A363-G386 PolarHBondContact O-N 3.3Å; V364-G386 WeakPolarHBondContact CA-O 3.3Å; G365-G386 PolarHBondContact N-O 3.33Å |
| 387 | E | 95.1 | Very high | 92.4 | Very high | 10 Ų | 10 | 30.6 Ų | 30.6 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 134.4 | 176.8 | 177.7 | 74.2 | -162.4 | 0 | 0 | 109.9 | Y338 G365 N366 G367 L368 W373 I385 N400 C408 | Y338-E387 PolarHBondContact OH-OE2 2.71Å; G365-E387 WeakPolarHBondContact O-CA 3.38Å; N366-E387 WeakPolarHBondContact CA-OE1 3.37Å; N366-E387 WeakPolarHBondContact CA-OE2 3.35Å; G367-E387 PolarHBondContact N-OE1 3.09Å; L368-E387 WeakPolarHBondContact CB-OE2 3.32Å; L368-E387 PolarHBondContact N-OE1 3.43Å; L368-E387 PolarHBondContact N-OE2 2.75Å; W373-E387 HydrophobicContact CH2-CB 3.9Å; W373-E387 HydrophobicContact CZ3-CB 3.63Å; W373-E387 HydrophobicContact CZ3-CG 4.07Å; I385-E387 HydrophobicContact CG2-CB 4.35Å; E387-N400 HydrophobicContact CB-CB 4.16Å; E387-N400 WeakPolarHBondContact O-CB 3.41Å; E387-N400 PolarHBondContact O-N 2.95Å; E387-C408 HydrophobicContact CG-CB 4.39Å |
| 388 | F | 94.7 | Very high | 92.4 | Very high | 33 Ų | 33 | 29 Ų | 29 | 15% | 0.145 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 158.1 | 171.5 | 65.5 | -88.6 | 0 | 0 | 0 | 112.2 | F279 I301 V364 G365 N366 I398 A399 C408 | F279-F388 HydrophobicContact CE2-CD1 4.19Å; F279-F388 HydrophobicContact CZ-CB 4.13Å; F279-F388 HydrophobicContact CZ-CD1 4.33Å; I301-F388 HydrophobicContact CD1-CE1 4.43Å; I301-F388 HydrophobicContact CD1-CZ 4.34Å; I301-F388 HydrophobicContact CG1-CE1 4.35Å; I301-F388 HydrophobicContact CG1-CZ 4Å; I301-F388 HydrophobicContact CG2-CE1 4.44Å; V364-F388 HydrophobicContact CG1-CD1 4.39Å; V364-F388 HydrophobicContact CG1-CE1 4.21Å; G365-F388 WeakPolarHBondContact O-CD1 3.39Å; G365-F388 VanDerWaalsContact O-CE1 3.29Å; G365-F388 WeakPolarHBondContact O-CE1 3.44Å; G365-F388 PolarHBondContact O-N 2.89Å; N366-F388 HydrophobicContact CB-CD2 4.42Å; N366-F388 HydrophobicContact CB-CE2 4.21Å; N366-F388 HydrophobicContact CB-CZ 4.26Å; N366-F388 WeakPolarHBondContact CB-O 3.32Å; F388-I398 WeakPolarHBondContact CA-O 3.24Å; F388-I398 WeakPolarHBondContact CB-O 3.35Å; F388-A399 HydrophobicContact CB-CB 4.35Å; F388-C408 CarbonylContact C-O 3.58Å |
| 389 | Y | 94.2 | Very high | 92.5 | Very high | 15 Ų | 15 | 22.1 Ų | 22.1 | 6% | 0.059 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 137.3 | 167.5 | 165.4 | -79.5 | 0 | 0 | 0 | 110.6 | S397 I398 C408 L452 S492 D494 L496 F506 | Y389-S397 VanDerWaalsContact O-CA 3.25Å; Y389-S397 WeakPolarHBondContact O-CA 3.48Å; Y389-S397 WeakPolarHBondContact O-CB 3.35Å; Y389-I398 HydrophobicContact CD1-CD1 4.34Å; Y389-I398 HydrophobicContact CD1-CG1 3.99Å; Y389-I398 HydrophobicContact CG-CG1 4.26Å; Y389-I398 PolarHBondContact N-O 2.81Å; Y389-I398 PolarHBondContact O-N 2.81Å; Y389-C408 PolarHBondContact N-O 2.93Å; Y389-L452 HydrophobicContact CD1-CD2 3.96Å; Y389-L452 HydrophobicContact CE1-CD2 3.31Å; Y389-S492 VanDerWaalsContact OH-CB 3.31Å; Y389-S492 WeakPolarHBondContact OH-CB 3.41Å; Y389-D494 HydrophobicContact CE2-CB 4.11Å; Y389-D494 WeakPolarHBondContact CE2-OD2 3.45Å; Y389-D494 VanDerWaalsContact CZ-OD2 3.3Å; Y389-D494 WeakPolarHBondContact OH-CB 3.45Å; Y389-D494 PolarHBondContact OH-OD2 2.91Å; Y389-L496 HydrophobicContact CE2-CD1 4.27Å; Y389-F506 HydrophobicContact CD2-CD2 4.26Å; Y389-F506 HydrophobicContact CE2-CD2 4.08Å; Y389-F506 HydrophobicContact CE2-CE2 4.45Å |
| 390 | G | 90.4 | Very high | 92.5 | Very high | 25 Ų | 25 | 19.5 Ų | 19.5 | 26% | 0.258 | 15% | 0.148 | S | C | . | . | trans | 176.7 | 167.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 391 | A | 87.6 | Confident | 92.2 | Very high | 33 Ų | 33 | 20.2 Ų | 20.2 | 27% | 0.273 | 15% | 0.151 | S | C | . | . | trans | -123 | 155.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | E393 C394 | A391-E393 PolarHBondContact O-N 2.74Å; A391-E393 VanDerWaalsContact O-N 3.1Å; A391-C394 HydrophobicContact CB-CB 3.94Å; A391-C394 PolarHBondContact O-N 3.07Å | ||
| 392 | T | 86.1 | Confident | 92 | Very high | 7 Ų | 7 | 21.1 Ų | 21.1 | 4% | 0.043 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -35.4 | -178.3 | -62.8 | 0 | 0 | 0 | 0 | 112.8 | I249 A261 V263 R267 S296 | I249-T392 HydrophobicContact CB-CG2 3.77Å; I249-T392 HydrophobicContact CD1-CG2 4.33Å; I249-T392 HydrophobicContact CG2-CG2 3.78Å; A261-T392 HydrophobicContact CB-CG2 3.93Å; V263-T392 HydrophobicContact CG2-CG2 3.99Å; R267-T392 WeakPolarHBondContact CD-O 3.4Å; R267-T392 PolarHBondContact NH1-O 2.65Å; S296-T392 PolarHBondContact OG-OG1 3.46Å |
| 393 | E | 88 | Confident | 91.8 | Very high | 11 Ų | 11 | 22.6 Ų | 22.6 | 5% | 0.051 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -14.8 | 179.6 | 78.4 | -77.4 | -174.4 | 0 | 0 | 115.3 | A261 A391 F465 Y468 Y490 | A261-E393 HydrophobicContact CB-CB 4.24Å; A391-E393 PolarHBondContact O-N 2.74Å; A391-E393 VanDerWaalsContact O-N 3.1Å; E393-F465 HydrophobicContact CB-CE2 3.97Å; E393-F465 HydrophobicContact CG-CE2 3.84Å; E393-F465 VanDerWaalsContact O-CD2 3.26Å; E393-F465 WeakPolarHBondContact O-CD2 3.49Å; E393-Y468 HydrophobicContact CB-CE1 4.41Å; E393-Y468 HydrophobicContact CG-CE1 4.18Å; E393-Y468 WeakPolarHBondContact CG-OH 3.46Å; E393-Y468 PolarHBondContact OE1-OH 3.4Å; E393-Y490 HydrophobicContact CG-CE2 3.78Å; E393-Y490 PolarHBondContact OE1-OH 2.83Å |
| 394 | C | 84.9 | Confident | 92 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | trans | -72.3 | 140.7 | -168.7 | 153.9 | 0 | 0 | 0 | 0 | 112.9 | R270 A391 C396 Y490 | R270-C394 PolarHBondContact NH2-O 2.66Å; A391-C394 HydrophobicContact CB-CB 3.94Å; A391-C394 PolarHBondContact O-N 3.07Å; C394-C396 VanDerWaalsContact C-N 3.35Å; C394-C396 WeakPolarHBondContact CB-SG 3.37Å; C394-C396 WeakPolarHBondContact SG-CA 3.49Å; C394-C396 WeakPolarHBondContact SG-CB 3.34Å; C394-C396 PolarHBondContact SG-N 3.47Å; C394-C396 CovalentContact SG-SG 2.09Å; C394-C396 PolarHBondContact SG-SG 2.65Å; C394-Y490 HydrophobicContact CB-CD1 4.22Å; C394-Y490 HydrophobicContact CB-CE1 3.49Å; C394-Y490 VanDerWaalsContact CB-CE1 3.49Å | ||
| 395 | N | 89.3 | Confident | 91.9 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -94.9 | 5.8 | 173.1 | 72.7 | -11.4 | 0 | 0 | 0 | 113.1 | Y419 G454 R455 R463 R464 Y490 | N395-Y419 PolarHBondContact O-OH 3.34Å; N395-G454 PolarHBondContact ND2-O 2.8Å; N395-G454 PolarHBondContact OD1-O 2.77Å; N395-R455 PolarHBondContact ND2-O 3.31Å; N395-R463 PolarHBondContact ND2-O 3.09Å; N395-R464 WeakPolarHBondContact CB-O 3.3Å; N395-Y490 WeakPolarHBondContact OD1-CB 3.36Å |
| 396 | C | 88.9 | Confident | 91.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -123.6 | 22 | -159.2 | 54.9 | 0 | 0 | 0 | 0 | 114.4 | C394 Y419 I421 L452 Y490 | C394-C396 VanDerWaalsContact C-N 3.35Å; C394-C396 WeakPolarHBondContact CB-SG 3.37Å; C394-C396 WeakPolarHBondContact SG-CA 3.49Å; C394-C396 WeakPolarHBondContact SG-CB 3.34Å; C394-C396 PolarHBondContact SG-N 3.47Å; C394-C396 CovalentContact SG-SG 2.09Å; C394-C396 PolarHBondContact SG-SG 2.65Å; C396-Y419 VanDerWaalsContact C-OH 3.25Å; C396-Y419 WeakPolarHBondContact CA-OH 3.35Å; C396-Y419 PolarHBondContact N-OH 3.09Å; C396-I421 HydrophobicContact CB-CG2 3.99Å; C396-L452 HydrophobicContact CB-CD2 4.47Å; C396-Y490 WeakPolarHBondContact SG-CD1 3.47Å; C396-Y490 WeakPolarHBondContact SG-CE1 3.23Å | ||
| 397 | S | 92.1 | Very high | 91.5 | Very high | 36 Ų | 36 | 23.5 Ų | 23.5 | 25% | 0.252 | 15% | 0.148 | S | C | . | . | trans | -64.3 | 144.3 | -177.2 | -52.5 | 0 | 0 | 0 | 0 | 112.6 | Y389 Y419 | Y389-S397 VanDerWaalsContact O-CA 3.25Å; Y389-S397 WeakPolarHBondContact O-CA 3.48Å; Y389-S397 WeakPolarHBondContact O-CB 3.35Å; S397-Y419 PolarHBondContact N-OH 3.28Å; S397-Y419 VanDerWaalsContact N-OH 3.12Å; S397-Y419 VanDerWaalsContact O-CE1 3.27Å; S397-Y419 WeakPolarHBondContact O-CE1 3.26Å; S397-Y419 PolarHBondContact O-OH 3.39Å | ||
| 398 | I | 94.7 | Very high | 91.4 | Very high | 9 Ų | 9 | 23.3 Ų | 23.3 | 5% | 0.046 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 155.2 | 177.6 | 58.7 | -179.2 | 0 | 0 | 0 | 109.5 | F388 Y389 I421 L496 M504 | F388-I398 WeakPolarHBondContact CA-O 3.24Å; F388-I398 WeakPolarHBondContact CB-O 3.35Å; Y389-I398 HydrophobicContact CD1-CD1 4.34Å; Y389-I398 HydrophobicContact CD1-CG1 3.99Å; Y389-I398 HydrophobicContact CG-CG1 4.26Å; Y389-I398 PolarHBondContact N-O 2.81Å; Y389-I398 PolarHBondContact O-N 2.81Å; I398-I421 HydrophobicContact CG2-CD1 3.31Å; I398-L496 HydrophobicContact CD1-CD2 4.25Å; I398-M504 HydrophobicContact CD1-CB 3.58Å; I398-M504 HydrophobicContact CD1-CG 4.06Å; I398-M504 HydrophobicContact CD1-SD 3.46Å; I398-M504 WeakPolarHBondContact CD1-SD 3.22Å; I398-M504 HydrophobicContact CG2-SD 4.39Å |
| 399 | A | 95.6 | Very high | 91.5 | Very high | 23 Ų | 23 | 21.7 Ų | 21.7 | 19% | 0.19 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 140.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A278 F279 F388 M401 G409 F410 | A278-A399 HydrophobicContact CB-CB 4.45Å; F279-A399 HydrophobicContact CE1-CB 4.22Å; F279-A399 HydrophobicContact CZ-CB 4.03Å; F388-A399 HydrophobicContact CB-CB 4.35Å; A399-M401 HydrophobicContact CB-CG 4.22Å; A399-G409 WeakPolarHBondContact O-CA 3.4Å; A399-F410 WeakPolarHBondContact O-CD1 3.48Å |
| 400 | N | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 98.2 | 172.1 | -176.8 | -8 | 0 | 0 | 0 | 108.6 | W373 E387 D402 G403 K404 A407 | W373-N400 WeakPolarHBondContact CH2-ND2 3.28Å; E387-N400 HydrophobicContact CB-CB 4.16Å; E387-N400 WeakPolarHBondContact O-CB 3.41Å; E387-N400 PolarHBondContact O-N 2.95Å; N400-D402 PolarHBondContact OD1-OD1 2.95Å; N400-G403 PolarHBondContact OD1-N 3.08Å; N400-K404 PolarHBondContact ND2-N 2.99Å; N400-K404 PolarHBondContact ND2-O 3.12Å; N400-K404 PolarHBondContact OD1-N 3.3Å; N400-A407 PolarHBondContact ND2-O 2.85Å |
| 401 | M | 90.1 | Very high | 91.7 | Very high | 19 Ų | 19 | 21.9 Ų | 21.9 | 9% | 0.094 | 14% | 0.135 | C | C | . | . | trans | -95.2 | -8.6 | -171.2 | -56.6 | -174.1 | -67.3 | 0 | 0 | 113.7 | V60 A278 A399 F410 | V60-M401 HydrophobicContact CG2-SD 4.44Å; A278-M401 HydrophobicContact CB-CG 3.94Å; A278-M401 HydrophobicContact CB-SD 3.74Å; A399-M401 HydrophobicContact CB-CG 4.22Å; M401-F410 HydrophobicContact CE-CE1 3.34Å; M401-F410 HydrophobicContact CE-CZ 3.58Å | ||
| 402 | D | 90.5 | Very high | 92 | Very high | 77 Ų | 77 | 21 Ų | 21 | 41% | 0.412 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -124.4 | 9.2 | -173.7 | 59.4 | -11.6 | 0 | 0 | 0 | 113.2 | R53 N400 Y503 | R53-D402 VanDerWaalsContact CD-OD2 3.29Å; R53-D402 WeakPolarHBondContact CD-OD2 3.26Å; R53-D402 WeakPolarHBondContact CG-OD2 3.4Å; N400-D402 PolarHBondContact OD1-OD1 2.95Å; D402-Y503 WeakPolarHBondContact OD1-CE1 3.1Å; D402-Y503 PolarHBondContact OD1-OH 3.04Å; D402-Y503 PolarHBondContact OD2-OH 2.95Å |
| 403 | G | 91.4 | Very high | 92.3 | Very high | 33 Ų | 33 | 25.3 Ų | 25.3 | 34% | 0.34 | 14% | 0.143 | S | C | . | . | trans | 78.1 | 27 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N400 V405 | N400-G403 PolarHBondContact OD1-N 3.08Å; G403-V405 PolarHBondContact O-N 3.2Å | ||
| 404 | K | 95.5 | Very high | 92.4 | Very high | 93 Ų | 93 | 26.3 Ų | 26.3 | 40% | 0.404 | 15% | 0.148 | S | C | . | . | trans | -67 | 103.4 | 176.8 | 177.4 | 60.6 | 178.3 | 171.6 | 0 | 110.2 | N400 G406 A407 Y503 Y505 | N400-K404 PolarHBondContact ND2-N 2.99Å; N400-K404 PolarHBondContact ND2-O 3.12Å; N400-K404 PolarHBondContact OD1-N 3.3Å; K404-G406 PolarHBondContact O-N 3.06Å; K404-A407 HydrophobicContact CB-CB 4.05Å; K404-A407 HydrophobicContact CG-CB 3.83Å; K404-A407 WeakPolarHBondContact O-CB 3.39Å; K404-A407 PolarHBondContact O-N 3.31Å; K404-Y503 HydrophobicContact CB-CD1 3.81Å; K404-Y503 HydrophobicContact CB-CE1 3.47Å; K404-Y503 VanDerWaalsContact CB-CE1 3.47Å; K404-Y503 HydrophobicContact CB-CE2 4.43Å; K404-Y503 HydrophobicContact CB-CG 4.42Å; K404-Y503 HydrophobicContact CD-CE2 4.48Å; K404-Y503 HydrophobicContact CG-CD1 3.85Å; K404-Y503 HydrophobicContact CG-CD2 4.09Å; K404-Y503 HydrophobicContact CG-CE1 3.89Å; K404-Y503 HydrophobicContact CG-CE2 4.12Å; K404-Y503 HydrophobicContact CG-CG 3.95Å; K404-Y505 WeakPolarHBondContact CE-OH 3.17Å | ||
| 405 | V | 93.2 | Very high | 92.6 | Very high | 47 Ų | 47 | 29.1 Ų | 29.1 | 29% | 0.285 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 131.7 | -178.9 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | P370 W373 E374 G403 A407 | P370-V405 HydrophobicContact CB-CG1 3.99Å; W373-V405 HydrophobicContact CB-CG1 4.37Å; W373-V405 HydrophobicContact CD2-CG2 4.48Å; W373-V405 HydrophobicContact CG-CG1 4.33Å; W373-V405 HydrophobicContact CG-CG2 4.4Å; E374-V405 HydrophobicContact CG-CG1 4.07Å; E374-V405 HydrophobicContact CG-CG2 4.34Å; G403-V405 PolarHBondContact O-N 3.2Å; V405-A407 PolarHBondContact O-N 3.04Å |
| 406 | G | 87.7 | Confident | 92.3 | Very high | 18 Ų | 18 | 31.4 Ų | 31.4 | 19% | 0.186 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -18 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116 | K404 Y505 | K404-G406 PolarHBondContact O-N 3.06Å; G406-Y505 WeakPolarHBondContact O-CD1 3.22Å |
| 407 | A | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -77.8 | 134.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | N400 K404 V405 Y503 M504 Y505 | N400-A407 PolarHBondContact ND2-O 2.85Å; K404-A407 HydrophobicContact CB-CB 4.05Å; K404-A407 HydrophobicContact CG-CB 3.83Å; K404-A407 WeakPolarHBondContact O-CB 3.39Å; K404-A407 PolarHBondContact O-N 3.31Å; V405-A407 PolarHBondContact O-N 3.04Å; A407-Y503 HydrophobicContact CB-CD1 3.91Å; A407-Y503 HydrophobicContact CB-CG 4.25Å; A407-M504 CarbonylContact C-O 3.4Å; A407-M504 WeakPolarHBondContact CA-O 3.4Å; A407-Y505 HydrophobicContact CB-CD1 4.21Å; A407-Y505 HydrophobicContact CB-CE1 3.79Å | ||
| 408 | C | 94.2 | Very high | 91.7 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | trans | -92.8 | -5.7 | 174.5 | 64.9 | 0 | 0 | 0 | 0 | 113.1 | E387 F388 Y389 M504 | E387-C408 HydrophobicContact CG-CB 4.39Å; F388-C408 CarbonylContact C-O 3.58Å; Y389-C408 PolarHBondContact N-O 2.93Å; C408-M504 PolarHBondContact N-O 3.28Å; C408-M504 PolarHBondContact SG-O 3.13Å; C408-M504 VanDerWaalsContact SG-O 3.39Å | ||
| 409 | G | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.4 | -159.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A399 Y503 M504 | A399-G409 WeakPolarHBondContact O-CA 3.4Å; G409-Y503 WeakPolarHBondContact O-CA 3.49Å; G409-M504 PolarHBondContact O-N 3.24Å |
| 410 | F | 95.8 | Very high | 91 | Very high | 25 Ų | 25 | 42.8 Ų | 42.8 | 11% | 0.11 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 160.6 | 177.8 | 74.9 | -77.3 | 0 | 0 | 0 | 112.2 | R53 D54 A399 M401 G502 Y503 | R53-F410 HydrophobicContact CG-CD1 4.2Å; R53-F410 HydrophobicContact CG-CE1 4.01Å; R53-F410 HydrophobicContact CG-CE2 4.32Å; R53-F410 HydrophobicContact CG-CG 4.47Å; R53-F410 HydrophobicContact CG-CZ 4.06Å; R53-F410 VanDerWaalsContact NE-CD2 3.28Å; D54-F410 WeakPolarHBondContact OD1-CD2 3.34Å; D54-F410 WeakPolarHBondContact OD1-CE2 3.4Å; A399-F410 WeakPolarHBondContact O-CD1 3.48Å; M401-F410 HydrophobicContact CE-CE1 3.34Å; M401-F410 HydrophobicContact CE-CZ 3.58Å; F410-G502 CarbonylContact C-O 3.57Å; F410-G502 WeakPolarHBondContact CA-O 3.09Å; F410-G502 VanDerWaalsContact CB-O 3.29Å; F410-G502 WeakPolarHBondContact CB-O 3.33Å; F410-Y503 HydrophobicContact CB-CD1 4.18Å |
| 411 | N | 94.6 | Very high | 90.9 | Very high | 18 Ų | 18 | 43.1 Ų | 43.1 | 10% | 0.096 | 22% | 0.221 | C | C | . | . | trans | -123.4 | 126 | 164.2 | -172.5 | 19.8 | 0 | 0 | 0 | 108.9 | R413 I421 M498 G502 M504 | N411-R413 PolarHBondContact O-N 3.11Å; N411-I421 HydrophobicContact CB-CD1 4.12Å; N411-I421 HydrophobicContact CB-CG1 4.22Å; N411-I421 PolarHBondContact ND2-O 2.81Å; N411-M498 HydrophobicContact CB-SD 4.25Å; N411-G502 PolarHBondContact N-O 3.2Å; N411-G502 WeakPolarHBondContact O-CA 3.41Å; N411-M504 HydrophobicContact CB-CE 3.47Å; N411-M504 VanDerWaalsContact CB-CE 3.47Å; N411-M504 HydrophobicContact CB-SD 4.36Å | ||
| 412 | S | 93.4 | Very high | 91.1 | Very high | 14 Ų | 14 | 45.6 Ų | 45.6 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | trans | -64.7 | 130.6 | -172.9 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | D54 I414 L415 P416 | D54-S412 VanDerWaalsContact CG-OG 3.24Å; D54-S412 WeakPolarHBondContact OD2-CB 3.49Å; D54-S412 PolarHBondContact OD2-OG 3.34Å; S412-I414 WeakPolarHBondContact OG-CG1 3.49Å; S412-I414 PolarHBondContact OG-N 3.5Å; S412-L415 PolarHBondContact OG-N 3.5Å; S412-P416 WeakPolarHBondContact O-CA 3.29Å | ||
| 413 | R | 91.6 | Very high | 91.3 | Very high | 98 Ų | 98 | 42.3 Ų | 42.3 | 37% | 0.37 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -82.1 | -23.3 | 174.1 | -60.8 | -65.9 | -67 | 156.4 | -3 | 112.4 | I46 N411 | I46-R413 HydrophobicContact CG2-CB 3.75Å; I46-R413 HydrophobicContact CG2-CG 4.23Å; N411-R413 PolarHBondContact O-N 3.11Å |
| 414 | I | 90.7 | Very high | 91.6 | Very high | 32 Ų | 32 | 40.8 Ų | 40.8 | 16% | 0.164 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -93.8 | -23.6 | 179.3 | 60 | 170.7 | 0 | 0 | 0 | 112.9 | Y43 A47 D54 S412 P416 | Y43-I414 HydrophobicContact CD2-CG2 4.49Å; Y43-I414 HydrophobicContact CE2-CB 4.27Å; Y43-I414 HydrophobicContact CE2-CG2 3.83Å; A47-I414 HydrophobicContact CB-CG2 3.76Å; D54-I414 HydrophobicContact CB-CD1 4Å; D54-I414 HydrophobicContact CB-CG1 4.2Å; D54-I414 VanDerWaalsContact OD2-CG1 3.26Å; D54-I414 WeakPolarHBondContact OD2-CG1 3.24Å; S412-I414 WeakPolarHBondContact OG-CG1 3.49Å; S412-I414 PolarHBondContact OG-N 3.5Å; I414-P416 VanDerWaalsContact C-CD 3.41Å |
| 415 | L | 88.6 | Confident | 91.5 | Very high | 60 Ų | 60 | 39.2 Ų | 39.2 | 31% | 0.314 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -127.1 | 51 | 178.4 | -63.2 | 171.6 | 0 | 0 | 0 | 113.2 | L58 S412 Y417 V418 | L58-L415 HydrophobicContact CB-CD1 4.43Å; L58-L415 HydrophobicContact CD2-CD1 3.96Å; S412-L415 PolarHBondContact OG-N 3.5Å; L415-Y417 PolarHBondContact O-N 2.69Å; L415-Y417 VanDerWaalsContact O-N 3.09Å; L415-V418 HydrophobicContact CB-CB 4.49Å; L415-V418 HydrophobicContact CB-CG2 4Å; L415-V418 PolarHBondContact O-N 2.52Å |
| 416 | P | 82.3 | Confident | 91.4 | Very high | 52 Ų | 52 | 38 Ų | 38 | 34% | 0.338 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -18.7 | -168 | 27.4 | -36.9 | 0 | 0 | 0 | 115.2 | S412 I414 | S412-P416 WeakPolarHBondContact O-CA 3.29Å; I414-P416 VanDerWaalsContact C-CD 3.41Å |
| 417 | Y | 84.1 | Confident | 91.2 | Very high | 205 Ų | 205 | 40.1 Ų | 40.1 | 80% | 0.804 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -12 | -177.2 | -59.8 | -70.3 | 0 | 0 | 0 | 113.9 | L415 | L415-Y417 PolarHBondContact O-N 2.69Å; L415-Y417 VanDerWaalsContact O-N 3.09Å |
| 418 | V | 84.6 | Confident | 90.1 | Very high | 49 Ų | 49 | 46.1 Ų | 46.1 | 30% | 0.297 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -43.9 | -178.7 | 167.6 | 0 | 0 | 0 | 0 | 110.5 | L58 L61 L415 R463 | L58-V418 HydrophobicContact CD1-CG1 3.77Å; L58-V418 HydrophobicContact CD1-CG2 4.24Å; L61-V418 HydrophobicContact CD2-CG1 3.22Å; L415-V418 HydrophobicContact CB-CB 4.49Å; L415-V418 HydrophobicContact CB-CG2 4Å; L415-V418 PolarHBondContact O-N 2.52Å; V418-R463 PolarHBondContact O-NH2 2.93Å |
| 419 | Y | 87.8 | Confident | 88.8 | Confident | 36 Ų | 36 | 52.6 Ų | 52.6 | 14% | 0.141 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -126.3 | 91.6 | 175.9 | -165.4 | -122.9 | 0 | 0 | 0 | 109.3 | N395 C396 S397 I421 | N395-Y419 PolarHBondContact O-OH 3.34Å; C396-Y419 VanDerWaalsContact C-OH 3.25Å; C396-Y419 WeakPolarHBondContact CA-OH 3.35Å; C396-Y419 PolarHBondContact N-OH 3.09Å; S397-Y419 PolarHBondContact N-OH 3.28Å; S397-Y419 VanDerWaalsContact N-OH 3.12Å; S397-Y419 VanDerWaalsContact O-CE1 3.27Å; S397-Y419 WeakPolarHBondContact O-CE1 3.26Å; S397-Y419 PolarHBondContact O-OH 3.39Å; Y419-I421 HydrophobicContact CD1-CD1 3.87Å; Y419-I421 HydrophobicContact CD1-CG1 3.93Å; Y419-I421 HydrophobicContact CD1-CG2 3.88Å; Y419-I421 HydrophobicContact CE1-CD1 3.9Å; Y419-I421 HydrophobicContact CE1-CG1 4.25Å; Y419-I421 HydrophobicContact CE1-CG2 3.61Å; Y419-I421 PolarHBondContact O-N 2.86Å |
| 420 | P | 88.6 | Confident | 87.8 | Confident | 17 Ų | 17 | 56.1 Ų | 56.1 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | trans | -78.1 | 69.6 | -167.2 | 32.9 | -37.5 | 0 | 0 | 0 | 112 | R455 F483 | P420-R455 HydrophobicContact CB-CB 4.25Å; P420-R455 HydrophobicContact CG-CB 4.08Å; P420-R455 PolarHBondContact O-N 3.3Å; P420-F483 VanDerWaalsContact O-CZ 3.23Å; P420-F483 WeakPolarHBondContact O-CZ 3.43Å | ||
| 421 | I | 94 | Very high | 86.9 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 153.7 | 166.6 | 64.3 | 169.4 | 0 | 0 | 0 | 109.3 | C396 I398 N411 Y419 L452 V453 M504 | C396-I421 HydrophobicContact CB-CG2 3.99Å; I398-I421 HydrophobicContact CG2-CD1 3.31Å; N411-I421 HydrophobicContact CB-CD1 4.12Å; N411-I421 HydrophobicContact CB-CG1 4.22Å; N411-I421 PolarHBondContact ND2-O 2.81Å; Y419-I421 HydrophobicContact CD1-CD1 3.87Å; Y419-I421 HydrophobicContact CD1-CG1 3.93Å; Y419-I421 HydrophobicContact CD1-CG2 3.88Å; Y419-I421 HydrophobicContact CE1-CD1 3.9Å; Y419-I421 HydrophobicContact CE1-CG1 4.25Å; Y419-I421 HydrophobicContact CE1-CG2 3.61Å; Y419-I421 PolarHBondContact O-N 2.86Å; I421-L452 HydrophobicContact CB-CD1 4.2Å; I421-L452 HydrophobicContact CD1-CD1 4.28Å; I421-V453 VanDerWaalsContact CA-O 3.3Å; I421-V453 WeakPolarHBondContact CA-O 3.39Å; I421-M504 HydrophobicContact CD1-CE 4.25Å; I421-M504 HydrophobicContact CD1-SD 4.37Å |
| 422 | R | 93.1 | Very high | 86.5 | Confident | 70 Ų | 70 | 62.4 Ų | 62.4 | 26% | 0.264 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 163.1 | 173.3 | 74.8 | -172.3 | -40.4 | -178.4 | 12.8 | 111.4 | V424 P443 V453 F483 | R422-V424 HydrophobicContact CG-CG1 3.91Å; R422-P443 VanDerWaalsContact NH2-CG 3.32Å; R422-V453 HydrophobicContact CG-CG2 3.64Å; R422-V453 PolarHBondContact N-O 3.42Å; R422-V453 WeakPolarHBondContact O-CG2 3.37Å; R422-V453 PolarHBondContact O-N 3.37Å; R422-F483 HydrophobicContact CB-CE1 4.19Å; R422-F483 HydrophobicContact CG-CE1 3.77Å; R422-F483 HydrophobicContact CG-CZ 3.98Å |
| 423 | L | 96.3 | Very high | 86.4 | Confident | 9 Ų | 9 | 63.4 Ų | 63.4 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 134 | 164.5 | -55.9 | -177.1 | 0 | 0 | 0 | 109.2 | P443 C444 L451 L452 L496 M498 M504 | L423-P443 WeakPolarHBondContact O-CA 3.47Å; L423-C444 HydrophobicContact CB-CB 3.88Å; L423-C444 PolarHBondContact O-N 2.88Å; L423-L451 WeakPolarHBondContact CA-O 3.45Å; L423-L452 HydrophobicContact CD2-CB 3.91Å; L423-L452 HydrophobicContact CD2-CD1 3.97Å; L423-L496 HydrophobicContact CD1-CB 4.32Å; L423-L496 WeakPolarHBondContact CD1-O 3.26Å; L423-L496 HydrophobicContact CD2-CB 3.8Å; L423-M498 HydrophobicContact CD1-CB 3.73Å; L423-M504 HydrophobicContact CD2-CE 4.44Å; L423-M504 HydrophobicContact CG-CE 4.35Å |
| 424 | V | 96.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 142.7 | 176.4 | -68.8 | 0 | 0 | 0 | 0 | 110.7 | R422 L433 C441 V442 G450 L451 V453 V482 | R422-V424 HydrophobicContact CG-CG1 3.91Å; V424-L433 HydrophobicContact CB-CD2 4.39Å; V424-L433 HydrophobicContact CG2-CD2 3.46Å; V424-L433 VanDerWaalsContact CG2-CD2 3.46Å; V424-C441 HydrophobicContact CB-CB 4.14Å; V424-C441 HydrophobicContact CG1-CB 3.72Å; V424-V442 CarbonylContact C-O 3.59Å; V424-V442 WeakPolarHBondContact CA-O 3.46Å; V424-G450 CarbonylContact O-C 3.57Å; V424-G450 VanDerWaalsContact O-CA 3.27Å; V424-G450 WeakPolarHBondContact O-CA 3.41Å; V424-L451 HydrophobicContact CG2-CB 4.31Å; V424-L451 WeakPolarHBondContact CG2-O 3.31Å; V424-L451 PolarHBondContact N-O 3.4Å; V424-L451 PolarHBondContact O-N 3.22Å; V424-V453 HydrophobicContact CG1-CG2 3.77Å; V424-V453 HydrophobicContact CG2-CG1 3.75Å; V424-V453 HydrophobicContact CG2-CG2 4.07Å; V424-V482 HydrophobicContact CG1-CG1 4.18Å |
| 425 | K | 95.1 | Very high | 86.8 | Confident | 60 Ų | 60 | 65.3 Ų | 65.3 | 26% | 0.261 | 31% | 0.311 | S | S | . | . | trans | -67.9 | 143.6 | -179.2 | -65 | -165.1 | 175.4 | -155.4 | 0 | 110.7 | I434 V442 E448 | K425-I434 HydrophobicContact CB-CB 4.15Å; K425-I434 HydrophobicContact CB-CD1 4.18Å; K425-I434 PolarHBondContact O-N 3.24Å; K425-V442 HydrophobicContact CB-CB 4.43Å; K425-V442 HydrophobicContact CD-CB 4.49Å; K425-V442 HydrophobicContact CD-CG1 3.89Å; K425-V442 HydrophobicContact CG-CB 4.48Å; K425-V442 HydrophobicContact CG-CG1 4.25Å; K425-V442 PolarHBondContact N-O 2.91Å; K425-E448 WeakPolarHBondContact CE-OE2 3.43Å; K425-E448 IonicContact NZ-OE1 3.69Å; K425-E448 PolarHBondContact NZ-OE1 3.48Å; K425-E448 IonicContact NZ-OE2 3.89Å; K425-E448 PolarHBondContact NZ-OE2 3.21Å | ||
| 426 | V | 90 | Very high | 87.1 | Confident | 22 Ų | 22 | 64.6 Ų | 64.6 | 13% | 0.133 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -122.6 | 152.6 | 172.5 | -71.1 | 0 | 0 | 0 | 0 | 110.1 | E428 M431 E432 L433 I434 L451 | V426-E428 PolarHBondContact O-N 2.99Å; V426-M431 HydrophobicContact CG2-CE 4.33Å; V426-M431 HydrophobicContact CG2-SD 4.24Å; V426-E432 CarbonylContact C-O 3.59Å; V426-E432 WeakPolarHBondContact CA-O 3.43Å; V426-L433 HydrophobicContact CG1-CD2 3.92Å; V426-I434 WeakPolarHBondContact O-CD1 3.42Å; V426-L451 HydrophobicContact CG1-CB 4.36Å; V426-L451 HydrophobicContact CG1-CD1 3.47Å; V426-L451 VanDerWaalsContact CG1-CD1 3.47Å; V426-L451 HydrophobicContact CG1-CG 3.62Å |
| 427 | N | 84.2 | Confident | 87.8 | Confident | 62 Ų | 62 | 68.3 Ų | 68.3 | 33% | 0.332 | 34% | 0.335 | S | S | . | . | trans | -65.7 | 127.9 | 163.1 | 179.9 | -58.5 | 0 | 0 | 0 | 107.7 | E429 T430 M431 E432 | N427-E429 PolarHBondContact O-N 3.1Å; N427-E429 WeakPolarHBondContact OD1-CA 3.42Å; N427-E429 WeakPolarHBondContact OD1-CB 3.42Å; N427-E429 PolarHBondContact OD1-N 2.9Å; N427-T430 WeakPolarHBondContact CB-OG1 3.31Å; N427-T430 PolarHBondContact OD1-N 2.95Å; N427-M431 WeakPolarHBondContact O-CA 3.4Å; N427-M431 PolarHBondContact O-N 3.03Å; N427-E432 PolarHBondContact N-O 2.61Å | ||
| 428 | E | 71.9 | Confident | 88.2 | Confident | 127 Ų | 127 | 66.2 Ų | 66.2 | 59% | 0.593 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -24.2 | -174 | -62.1 | -175.2 | 175.6 | 0 | 0 | 113.2 | V426 N520 | V426-E428 PolarHBondContact O-N 2.99Å; E428-N520 PolarHBondContact OE2-ND2 3.48Å |
| 429 | E | 66.1 | Low | 88.7 | Confident | 141 Ų | 141 | 65.3 Ų | 65.3 | 66% | 0.659 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -47.6 | -179.5 | -63.1 | 176.4 | 178.7 | 0 | 0 | 111.7 | N427 R515 | N427-E429 PolarHBondContact O-N 3.1Å; N427-E429 WeakPolarHBondContact OD1-CA 3.42Å; N427-E429 WeakPolarHBondContact OD1-CB 3.42Å; N427-E429 PolarHBondContact OD1-N 2.9Å; E429-R515 IonicContact OE1-CZ 2.65Å; E429-R515 IonicContact OE1-NH1 2.98Å; E429-R515 PolarHBondContact OE1-NH1 3.13Å |
| 430 | T | 75.6 | Confident | 89.1 | Confident | 74 Ų | 74 | 64.7 Ų | 64.7 | 45% | 0.454 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -14 | -174 | 68.6 | 0 | 0 | 0 | 0 | 113.4 | N427 E432 | N427-T430 WeakPolarHBondContact CB-OG1 3.31Å; N427-T430 PolarHBondContact OD1-N 2.95Å; T430-E432 PolarHBondContact O-N 3.16Å; T430-E432 VanDerWaalsContact O-N 3.14Å; T430-E432 WeakPolarHBondContact OG1-CB 3.5Å; T430-E432 WeakPolarHBondContact OG1-CG 3.33Å; T430-E432 PolarHBondContact OG1-N 2.81Å; T430-E432 PolarHBondContact OG1-OE2 3.13Å |
| 431 | M | 76.1 | Confident | 89.4 | Confident | 41 Ų | 41 | 64 Ų | 64 | 20% | 0.202 | 32% | 0.321 | C | S | . | . | trans | 58.1 | 15 | -169.5 | -61.2 | -62.5 | -75 | 0 | 0 | 114.1 | V426 N427 V495 S510 | V426-M431 HydrophobicContact CG2-CE 4.33Å; V426-M431 HydrophobicContact CG2-SD 4.24Å; N427-M431 WeakPolarHBondContact O-CA 3.4Å; N427-M431 PolarHBondContact O-N 3.03Å; M431-V495 HydrophobicContact CE-CG2 3.85Å; M431-S510 WeakPolarHBondContact CE-OG 3.47Å | ||
| 432 | E | 85.9 | Confident | 89.6 | Confident | 135 Ų | 135 | 65.5 Ų | 65.5 | 63% | 0.631 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -76.6 | 147.9 | 176.4 | -66.9 | 179.6 | 151.4 | 0 | 0 | 111.6 | V426 N427 T430 I434 | V426-E432 CarbonylContact C-O 3.59Å; V426-E432 WeakPolarHBondContact CA-O 3.43Å; N427-E432 PolarHBondContact N-O 2.61Å; T430-E432 PolarHBondContact O-N 3.16Å; T430-E432 VanDerWaalsContact O-N 3.14Å; T430-E432 WeakPolarHBondContact OG1-CB 3.5Å; T430-E432 WeakPolarHBondContact OG1-CG 3.33Å; T430-E432 PolarHBondContact OG1-N 2.81Å; T430-E432 PolarHBondContact OG1-OE2 3.13Å; E432-I434 PolarHBondContact O-N 3.49Å |
| 433 | L | 92.1 | Very high | 89.7 | Confident | 35 Ų | 35 | 64.7 Ų | 64.7 | 18% | 0.183 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -71.4 | 125.1 | -178.1 | -66 | 170.6 | 0 | 0 | 0 | 111.5 | V424 V426 L451 V479 L491 | V424-L433 HydrophobicContact CB-CD2 4.39Å; V424-L433 HydrophobicContact CG2-CD2 3.46Å; V424-L433 VanDerWaalsContact CG2-CD2 3.46Å; V426-L433 HydrophobicContact CG1-CD2 3.92Å; L433-L451 HydrophobicContact CD2-CD1 4.27Å; L433-V479 HydrophobicContact CD1-CB 4.04Å; L433-V479 HydrophobicContact CD1-CG1 4.32Å; L433-V479 HydrophobicContact CD1-CG2 3.46Å; L433-V479 VanDerWaalsContact CD1-CG2 3.46Å; L433-L491 HydrophobicContact CD2-CD1 4.42Å |
| 434 | I | 95 | Very high | 89.6 | Confident | 69 Ų | 69 | 65.2 Ų | 65.2 | 35% | 0.354 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 130.5 | 176.2 | -62.1 | 176.6 | 0 | 0 | 0 | 109.4 | K425 V426 E432 C441 V442 | K425-I434 HydrophobicContact CB-CB 4.15Å; K425-I434 HydrophobicContact CB-CD1 4.18Å; K425-I434 PolarHBondContact O-N 3.24Å; V426-I434 WeakPolarHBondContact O-CD1 3.42Å; E432-I434 PolarHBondContact O-N 3.49Å; I434-C441 WeakPolarHBondContact O-CA 3.21Å; I434-V442 HydrophobicContact CG2-CB 4.39Å; I434-V442 HydrophobicContact CG2-CG2 3.97Å; I434-V442 PolarHBondContact O-N 2.93Å |
| 435 | R | 95.7 | Very high | 89.5 | Confident | 101 Ų | 101 | 68.2 Ų | 68.2 | 38% | 0.381 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -117.5 | 146.4 | -178.9 | -64.3 | 177.6 | 179.6 | -82.2 | -2.8 | 111.8 | G439 L440 V479 Q480 N481 | R435-G439 PolarHBondContact NH1-O 2.83Å; R435-L440 CarbonylContact C-O 3.54Å; R435-L440 WeakPolarHBondContact CA-O 3.32Å; R435-V479 VanDerWaalsContact NH2-CG2 3.33Å; R435-Q480 PolarHBondContact NH1-O 2.84Å; R435-Q480 PolarHBondContact NH2-O 3.44Å; R435-N481 PolarHBondContact NH1-O 3.35Å |
| 436 | D | 95.5 | Very high | 89.5 | Confident | 44 Ų | 44 | 67.1 Ų | 67.1 | 24% | 0.235 | 36% | 0.358 | C | S | . | . | trans | -78.1 | 176 | 173.8 | 72.9 | 8.3 | 0 | 0 | 0 | 111.9 | R438 G439 L440 V442 | D436-R438 PolarHBondContact O-N 3.43Å; D436-R438 WeakPolarHBondContact OD1-CA 3.37Å; D436-R438 VanDerWaalsContact OD1-CB 3.29Å; D436-R438 WeakPolarHBondContact OD1-CB 3.38Å; D436-R438 PolarHBondContact OD1-N 3.47Å; D436-R438 IonicContact OD1-NE 2.88Å; D436-R438 IonicContact OD2-CZ 3.61Å; D436-R438 VanDerWaalsContact OD2-CZ 3.28Å; D436-R438 IonicContact OD2-NE 2.78Å; D436-R438 PolarHBondContact OD2-NE 2.87Å; D436-R438 IonicContact OD2-NH2 3.36Å; D436-R438 PolarHBondContact OD2-NH2 2.75Å; D436-G439 PolarHBondContact O-N 3.31Å; D436-G439 PolarHBondContact OD1-N 3.14Å; D436-L440 PolarHBondContact N-O 3.05Å; D436-L440 PolarHBondContact OD1-N 3.25Å; D436-V442 HydrophobicContact CB-CG2 4.14Å | ||
| 437 | S | 95.4 | Very high | 89.7 | Confident | 131 Ų | 131 | 68.5 Ų | 68.5 | 92% | 0.916 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -12.7 | 177.7 | 57.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 438 | R | 93.4 | Very high | 90.1 | Very high | 160 Ų | 160 | 68.4 Ų | 68.4 | 60% | 0.604 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -0.8 | 175.7 | -55.5 | 172.1 | -66.6 | -170.6 | -3.9 | 112.2 | D436 L440 K485 | D436-R438 PolarHBondContact O-N 3.43Å; D436-R438 WeakPolarHBondContact OD1-CA 3.37Å; D436-R438 VanDerWaalsContact OD1-CB 3.29Å; D436-R438 WeakPolarHBondContact OD1-CB 3.38Å; D436-R438 PolarHBondContact OD1-N 3.47Å; D436-R438 IonicContact OD1-NE 2.88Å; D436-R438 IonicContact OD2-CZ 3.61Å; D436-R438 VanDerWaalsContact OD2-CZ 3.28Å; D436-R438 IonicContact OD2-NE 2.78Å; D436-R438 PolarHBondContact OD2-NE 2.87Å; D436-R438 IonicContact OD2-NH2 3.36Å; D436-R438 PolarHBondContact OD2-NH2 2.75Å; R438-L440 HydrophobicContact CB-CG 4.37Å; R438-K485 WeakPolarHBondContact O-CE 3.33Å |
| 439 | G | 93.8 | Very high | 91 | Very high | 30 Ų | 30 | 65.8 Ų | 65.8 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 80.5 | 11.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R435 D436 | R435-G439 PolarHBondContact NH1-O 2.83Å; D436-G439 PolarHBondContact O-N 3.31Å; D436-G439 PolarHBondContact OD1-N 3.14Å |
| 440 | L | 96.4 | Very high | 92.4 | Very high | 23 Ų | 23 | 59.1 Ų | 59.1 | 12% | 0.12 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -92.6 | 145.6 | -179.4 | -58.3 | -178 | 0 | 0 | 0 | 111.4 | R435 D436 R438 V442 N481 R484 K485 | R435-L440 CarbonylContact C-O 3.54Å; R435-L440 WeakPolarHBondContact CA-O 3.32Å; D436-L440 PolarHBondContact N-O 3.05Å; D436-L440 PolarHBondContact OD1-N 3.25Å; R438-L440 HydrophobicContact CB-CG 4.37Å; L440-V442 PolarHBondContact O-N 3.3Å; L440-N481 WeakPolarHBondContact CA-O 3.4Å; L440-N481 HydrophobicContact CD2-CB 4.13Å; L440-R484 VanDerWaalsContact CD2-C 3.49Å; L440-K485 HydrophobicContact CD2-CG 4.16Å |
| 441 | C | 96.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.02 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -60.9 | 132.6 | 175.6 | -64.6 | 0 | 0 | 0 | 0 | 111.7 | V424 I434 N481 V482 | V424-C441 HydrophobicContact CB-CB 4.14Å; V424-C441 HydrophobicContact CG1-CB 3.72Å; I434-C441 WeakPolarHBondContact O-CA 3.21Å; C441-N481 PolarHBondContact N-O 2.84Å; C441-V482 HydrophobicContact CB-CG1 4.2Å |
| 442 | V | 96.6 | Very high | 94.2 | Very high | 39 Ų | 39 | 53.8 Ų | 53.8 | 24% | 0.236 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 125.6 | 179.7 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | V424 K425 I434 D436 L440 | V424-V442 CarbonylContact C-O 3.59Å; V424-V442 WeakPolarHBondContact CA-O 3.46Å; K425-V442 HydrophobicContact CB-CB 4.43Å; K425-V442 HydrophobicContact CD-CB 4.49Å; K425-V442 HydrophobicContact CD-CG1 3.89Å; K425-V442 HydrophobicContact CG-CB 4.48Å; K425-V442 HydrophobicContact CG-CG1 4.25Å; K425-V442 PolarHBondContact N-O 2.91Å; I434-V442 HydrophobicContact CG2-CB 4.39Å; I434-V442 HydrophobicContact CG2-CG2 3.97Å; I434-V442 PolarHBondContact O-N 2.93Å; D436-V442 HydrophobicContact CB-CG2 4.14Å; L440-V442 PolarHBondContact O-N 3.3Å |
| 443 | P | 95.3 | Very high | 94.7 | Very high | 53 Ų | 53 | 47.3 Ų | 47.3 | 34% | 0.344 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -71.5 | 151.5 | 174.9 | 25.3 | -30.9 | 0 | 0 | 0 | 113.9 | R422 L423 | R422-P443 VanDerWaalsContact NH2-CG 3.32Å; L423-P443 WeakPolarHBondContact O-CA 3.47Å |
| 444 | C | 95.6 | Very high | 94.8 | Very high | 19 Ų | 19 | 45.7 Ų | 45.7 | 13% | 0.128 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 144.1 | 166 | -56 | 0 | 0 | 0 | 0 | 111.5 | L423 E448 P449 | L423-C444 HydrophobicContact CB-CB 3.88Å; L423-C444 PolarHBondContact O-N 2.88Å; C444-E448 WeakPolarHBondContact CA-OE2 3.2Å; C444-E448 HydrophobicContact CB-CB 3.98Å; C444-P449 PolarHBondContact SG-O 3.47Å |
| 445 | S | 94.3 | Very high | 94.8 | Very high | 64 Ų | 64 | 45.6 Ų | 45.6 | 45% | 0.448 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 163 | 164 | -56.3 | 0 | 0 | 0 | 0 | 110.2 | G447 E448 | S445-G447 PolarHBondContact O-N 2.94Å; S445-E448 WeakPolarHBondContact CB-OE2 3.41Å; S445-E448 PolarHBondContact N-OE2 3.37Å; S445-E448 WeakPolarHBondContact O-CB 3.36Å; S445-E448 PolarHBondContact O-N 3.27Å; S445-E448 VanDerWaalsContact O-N 3.07Å; S445-E448 PolarHBondContact OG-OE2 3.06Å |
| 446 | P | 93.7 | Very high | 94.9 | Very high | 37 Ų | 37 | 42 Ų | 42 | 24% | 0.24 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 135.8 | 171.7 | -27.8 | 37.4 | 0 | 0 | 0 | 112.1 | E448 M498 E500 | P446-E448 VanDerWaalsContact C-N 3.26Å; P446-E448 PolarHBondContact O-N 3.44Å; P446-M498 CarbonylContact C-O 3.52Å; P446-M498 VanDerWaalsContact CA-O 3.24Å; P446-M498 WeakPolarHBondContact CA-O 3.24Å; P446-E500 HydrophobicContact CB-CG 3.89Å; P446-E500 HydrophobicContact CG-CG 4.42Å; P446-E500 WeakPolarHBondContact CG-OE2 3.42Å |
| 447 | G | 93.7 | Very high | 94.7 | Very high | 51 Ų | 51 | 42.5 Ų | 42.5 | 53% | 0.526 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -19.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | S445 V497 M498 | S445-G447 PolarHBondContact O-N 2.94Å; G447-V497 WeakPolarHBondContact O-CG1 3.43Å; G447-M498 PolarHBondContact N-O 2.89Å |
| 448 | E | 93.9 | Very high | 94.5 | Very high | 59 Ų | 59 | 40.3 Ų | 40.3 | 28% | 0.276 | 23% | 0.23 | S | C | . | . | trans | -79 | 133.5 | 178.5 | -65.8 | -178.9 | 148.4 | 0 | 0 | 111 | K425 C444 S445 P446 | K425-E448 WeakPolarHBondContact CE-OE2 3.43Å; K425-E448 IonicContact NZ-OE1 3.69Å; K425-E448 PolarHBondContact NZ-OE1 3.48Å; K425-E448 IonicContact NZ-OE2 3.89Å; K425-E448 PolarHBondContact NZ-OE2 3.21Å; C444-E448 WeakPolarHBondContact CA-OE2 3.2Å; C444-E448 HydrophobicContact CB-CB 3.98Å; S445-E448 WeakPolarHBondContact CB-OE2 3.41Å; S445-E448 PolarHBondContact N-OE2 3.37Å; S445-E448 WeakPolarHBondContact O-CB 3.36Å; S445-E448 PolarHBondContact O-N 3.27Å; S445-E448 VanDerWaalsContact O-N 3.07Å; S445-E448 PolarHBondContact OG-OE2 3.06Å; P446-E448 VanDerWaalsContact C-N 3.26Å; P446-E448 PolarHBondContact O-N 3.44Å | ||
| 449 | P | 91.3 | Very high | 94.3 | Very high | 73 Ų | 73 | 42 Ų | 42 | 47% | 0.474 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 148.1 | 172.4 | 29.3 | -33.7 | 0 | 0 | 0 | 111.1 | C444 V495 L496 V497 | C444-P449 PolarHBondContact SG-O 3.47Å; P449-V495 HydrophobicContact CB-CG1 3.86Å; P449-L496 WeakPolarHBondContact CA-O 3.37Å; P449-V497 HydrophobicContact CB-CG2 3.94Å |
| 450 | G | 93.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.4 | 168 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V424 V495 L496 | V424-G450 CarbonylContact O-C 3.57Å; V424-G450 VanDerWaalsContact O-CA 3.27Å; V424-G450 WeakPolarHBondContact O-CA 3.41Å; G450-V495 WeakPolarHBondContact O-CA 3.43Å; G450-L496 PolarHBondContact N-O 3.15Å; G450-L496 PolarHBondContact O-N 3.49Å |
| 451 | L | 94.5 | Very high | 93.5 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 133.6 | 178 | -68 | -178.8 | 0 | 0 | 0 | 110.7 | L423 V424 V426 L433 V453 L491 D494 V495 | L423-L451 WeakPolarHBondContact CA-O 3.45Å; V424-L451 HydrophobicContact CG2-CB 4.31Å; V424-L451 WeakPolarHBondContact CG2-O 3.31Å; V424-L451 PolarHBondContact N-O 3.4Å; V424-L451 PolarHBondContact O-N 3.22Å; V426-L451 HydrophobicContact CG1-CB 4.36Å; V426-L451 HydrophobicContact CG1-CD1 3.47Å; V426-L451 VanDerWaalsContact CG1-CD1 3.47Å; V426-L451 HydrophobicContact CG1-CG 3.62Å; L433-L451 HydrophobicContact CD2-CD1 4.27Å; L451-V453 PolarHBondContact O-N 2.75Å; L451-L491 HydrophobicContact CB-CD1 4.01Å; L451-L491 HydrophobicContact CD1-CD1 3.85Å; L451-D494 WeakPolarHBondContact CA-O 3.47Å; L451-D494 WeakPolarHBondContact CD2-O 3.48Å; L451-V495 HydrophobicContact CD2-CG2 3.82Å |
| 452 | L | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 126.6 | 174 | 178.3 | 68.1 | 0 | 0 | 0 | 110.6 | Y389 C396 I421 L423 S492 D494 L496 M504 | Y389-L452 HydrophobicContact CD1-CD2 3.96Å; Y389-L452 HydrophobicContact CE1-CD2 3.31Å; C396-L452 HydrophobicContact CB-CD2 4.47Å; I421-L452 HydrophobicContact CB-CD1 4.2Å; I421-L452 HydrophobicContact CD1-CD1 4.28Å; L423-L452 HydrophobicContact CD2-CB 3.91Å; L423-L452 HydrophobicContact CD2-CD1 3.97Å; L452-S492 PolarHBondContact N-OG 3.05Å; L452-S492 WeakPolarHBondContact O-CB 3.45Å; L452-S492 PolarHBondContact O-N 3.04Å; L452-S492 VanDerWaalsContact O-N 3.1Å; L452-S492 PolarHBondContact O-OG 3.16Å; L452-D494 PolarHBondContact N-O 2.92Å; L452-L496 HydrophobicContact CB-CD1 3.98Å; L452-L496 HydrophobicContact CD2-CD2 4.21Å; L452-M504 HydrophobicContact CD1-CE 4.34Å; L452-M504 HydrophobicContact CD1-SD 4.38Å |
| 453 | V | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141.8 | 175.2 | -64.2 | 0 | 0 | 0 | 0 | 111.6 | I421 R422 V424 L451 V479 V482 F483 A489 Y490 L491 | I421-V453 VanDerWaalsContact CA-O 3.3Å; I421-V453 WeakPolarHBondContact CA-O 3.39Å; R422-V453 HydrophobicContact CG-CG2 3.64Å; R422-V453 PolarHBondContact N-O 3.42Å; R422-V453 WeakPolarHBondContact O-CG2 3.37Å; R422-V453 PolarHBondContact O-N 3.37Å; V424-V453 HydrophobicContact CG1-CG2 3.77Å; V424-V453 HydrophobicContact CG2-CG1 3.75Å; V424-V453 HydrophobicContact CG2-CG2 4.07Å; L451-V453 PolarHBondContact O-N 2.75Å; V453-V479 HydrophobicContact CG1-CG1 4.45Å; V453-V482 HydrophobicContact CB-CG1 4.37Å; V453-V482 HydrophobicContact CG2-CG1 3.64Å; V453-F483 HydrophobicContact CG2-CE2 4.47Å; V453-F483 HydrophobicContact CG2-CZ 4.28Å; V453-A489 HydrophobicContact CB-CB 4.21Å; V453-Y490 WeakPolarHBondContact CA-O 3.47Å; V453-L491 HydrophobicContact CG1-CD1 3.6Å |
| 454 | G | 95.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 123.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | N395 I456 A489 Y490 | N395-G454 PolarHBondContact ND2-O 2.8Å; N395-G454 PolarHBondContact OD1-O 2.77Å; G454-I456 PolarHBondContact O-N 2.84Å; G454-A489 CarbonylContact O-C 3.47Å; G454-A489 VanDerWaalsContact O-CA 3.31Å; G454-A489 WeakPolarHBondContact O-CA 3.24Å; G454-Y490 PolarHBondContact N-O 3.38Å; G454-Y490 PolarHBondContact O-N 3.24Å |
| 455 | R | 95.5 | Very high | 92.5 | Very high | 67 Ų | 67 | 41.6 Ų | 41.6 | 25% | 0.253 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 128.8 | -178.1 | -175.6 | 175.5 | 168.7 | -166.5 | -5.4 | 111.4 | N395 P420 F483 | N395-R455 PolarHBondContact ND2-O 3.31Å; P420-R455 HydrophobicContact CB-CB 4.25Å; P420-R455 HydrophobicContact CG-CB 4.08Å; P420-R455 PolarHBondContact O-N 3.3Å; R455-F483 HydrophobicContact CB-CD2 3.98Å; R455-F483 HydrophobicContact CB-CE2 3.63Å; R455-F483 HydrophobicContact CB-CZ 4.07Å; R455-F483 HydrophobicContact CG-CD2 4.28Å; R455-F483 HydrophobicContact CG-CE2 4.39Å |
| 456 | I | 95.9 | Very high | 92.5 | Very high | 24 Ų | 24 | 39.8 Ų | 39.8 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | trans | -83 | 132.1 | 177.9 | -65 | 169.1 | 0 | 0 | 0 | 109.7 | G454 Q458 F465 I478 S488 | G454-I456 PolarHBondContact O-N 2.84Å; I456-Q458 HydrophobicContact CG2-CG 4.42Å; I456-F465 HydrophobicContact CD1-CB 4.06Å; I456-F465 HydrophobicContact CD1-CD1 3.94Å; I456-F465 HydrophobicContact CD1-CG 4.31Å; I456-F465 HydrophobicContact CG1-CB 3.97Å; I456-F465 HydrophobicContact CG2-CB 4.36Å; I456-I478 HydrophobicContact CD1-CD1 4.45Å; I456-I478 HydrophobicContact CD1-CG1 3.99Å; I456-I478 HydrophobicContact CD1-CG2 4.24Å; I456-S488 PolarHBondContact N-O 3.47Å | ||
| 457 | N | 93.1 | Very high | 92.5 | Very high | 56 Ų | 56 | 38 Ų | 38 | 30% | 0.299 | 19% | 0.193 | S | C | . | . | trans | -141.3 | 106.6 | 165.5 | -180 | 3.4 | 0 | 0 | 0 | 109.5 | K459 D460 R463 | N457-K459 PolarHBondContact O-N 3.34Å; N457-K459 VanDerWaalsContact O-N 3.16Å; N457-K459 PolarHBondContact OD1-N 3.32Å; N457-K459 VanDerWaalsContact OD1-N 3.08Å; N457-D460 HydrophobicContact CB-CB 4.06Å; N457-D460 WeakPolarHBondContact ND2-CB 3.18Å; N457-D460 PolarHBondContact O-N 3.35Å; N457-D460 VanDerWaalsContact O-N 3.07Å; N457-D460 VanDerWaalsContact O-O 3.14Å; N457-R463 HydrophobicContact CB-CB 4.1Å; N457-R463 PolarHBondContact N-O 3.44Å; N457-R463 VanDerWaalsContact N-O 3.14Å | ||
| 458 | Q | 91.1 | Very high | 92.5 | Very high | 84 Ų | 84 | 35.8 Ų | 35.8 | 39% | 0.393 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -19.6 | -176.9 | -65.5 | -61.7 | -17 | 0 | 0 | 113.8 | I456 R464 F465 | I456-Q458 HydrophobicContact CG2-CG 4.42Å; Q458-R464 PolarHBondContact O-NH1 2.72Å; Q458-F465 PolarHBondContact NE2-O 2.98Å |
| 459 | K | 89.1 | Confident | 92.4 | Very high | 196 Ų | 196 | 34.4 Ų | 34.4 | 85% | 0.852 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -12.3 | 177.3 | -60.4 | -175.3 | 178.5 | -175.8 | 0 | 113.5 | N457 | N457-K459 PolarHBondContact O-N 3.34Å; N457-K459 VanDerWaalsContact O-N 3.16Å; N457-K459 PolarHBondContact OD1-N 3.32Å; N457-K459 VanDerWaalsContact OD1-N 3.08Å |
| 460 | D | 89.2 | Confident | 92.3 | Very high | 17 Ų | 17 | 34.9 Ų | 34.9 | 9% | 0.091 | 17% | 0.166 | C | C | . | . | trans | -111.6 | 107.6 | -179 | -177.4 | -9.4 | 0 | 0 | 0 | 109.4 | N457 L462 R463 R464 | N457-D460 HydrophobicContact CB-CB 4.06Å; N457-D460 WeakPolarHBondContact ND2-CB 3.18Å; N457-D460 PolarHBondContact O-N 3.35Å; N457-D460 VanDerWaalsContact O-N 3.07Å; N457-D460 VanDerWaalsContact O-O 3.14Å; D460-L462 PolarHBondContact O-N 3.41Å; D460-L462 WeakPolarHBondContact OD1-CB 3.45Å; D460-L462 PolarHBondContact OD1-N 3.29Å; D460-L462 VanDerWaalsContact OD1-N 3.08Å; D460-R463 HydrophobicContact CB-CB 4.21Å; D460-R463 HydrophobicContact CB-CG 4.49Å; D460-R463 CarbonylContact O-C 3.54Å; D460-R463 PolarHBondContact O-N 3.42Å; D460-R463 VanDerWaalsContact OD2-CD 3.28Å; D460-R463 WeakPolarHBondContact OD2-CD 3.11Å; D460-R463 IonicContact OD2-CZ 3.25Å; D460-R463 IonicContact OD2-NE 2.97Å; D460-R463 PolarHBondContact OD2-NE 2.87Å; D460-R463 IonicContact OD2-NH1 3.97Å; D460-R464 PolarHBondContact O-N 3.27Å | ||
| 461 | P | 84.5 | Confident | 92.2 | Very high | 21 Ų | 21 | 40.3 Ų | 40.3 | 14% | 0.136 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26.1 | -178.4 | -23.7 | 30.2 | 0 | 0 | 0 | 114.4 | L68 M72 R463 | L68-P461 HydrophobicContact CD1-CB 4.29Å; M72-P461 HydrophobicContact CE-CG 3.97Å; M72-P461 HydrophobicContact SD-CB 4.37Å; M72-P461 HydrophobicContact SD-CG 3.22Å; M72-P461 WeakPolarHBondContact SD-CG 3.42Å; P461-R463 VanDerWaalsContact C-N 3.28Å; P461-R463 PolarHBondContact O-N 2.63Å |
| 462 | L | 86.5 | Confident | 92 | Very high | 7 Ų | 7 | 44.5 Ų | 44.5 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -21.4 | 177.7 | -65.6 | 178.9 | 0 | 0 | 0 | 113.2 | L61 V64 K65 L68 R270 F274 D460 | L61-L462 HydrophobicContact CD1-CD1 3.75Å; L61-L462 HydrophobicContact CG-CD1 4.43Å; V64-L462 HydrophobicContact CG1-CD2 4.07Å; K65-L462 HydrophobicContact CB-CD1 3.73Å; K65-L462 HydrophobicContact CD-CD1 4.02Å; K65-L462 HydrophobicContact CG-CD1 3.82Å; L68-L462 HydrophobicContact CD1-CD2 3.78Å; L68-L462 HydrophobicContact CD1-CG 4.45Å; R270-L462 HydrophobicContact CG-CD2 3.8Å; R270-L462 PolarHBondContact NH1-O 2.93Å; F274-L462 HydrophobicContact CE2-CD2 4.19Å; F274-L462 HydrophobicContact CZ-CD2 4.25Å; D460-L462 PolarHBondContact O-N 3.41Å; D460-L462 WeakPolarHBondContact OD1-CB 3.45Å; D460-L462 PolarHBondContact OD1-N 3.29Å; D460-L462 VanDerWaalsContact OD1-N 3.08Å |
| 463 | R | 89.9 | Confident | 91.6 | Very high | 47 Ų | 47 | 44.9 Ų | 44.9 | 18% | 0.177 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 1.5 | -172.2 | -58.9 | 178.9 | -174.6 | 168.2 | -3 | 112.9 | N395 V418 N457 D460 P461 | N395-R463 PolarHBondContact ND2-O 3.09Å; V418-R463 PolarHBondContact O-NH2 2.93Å; N457-R463 HydrophobicContact CB-CB 4.1Å; N457-R463 PolarHBondContact N-O 3.44Å; N457-R463 VanDerWaalsContact N-O 3.14Å; D460-R463 HydrophobicContact CB-CB 4.21Å; D460-R463 HydrophobicContact CB-CG 4.49Å; D460-R463 CarbonylContact O-C 3.54Å; D460-R463 PolarHBondContact O-N 3.42Å; D460-R463 VanDerWaalsContact OD2-CD 3.28Å; D460-R463 WeakPolarHBondContact OD2-CD 3.11Å; D460-R463 IonicContact OD2-CZ 3.25Å; D460-R463 IonicContact OD2-NE 2.97Å; D460-R463 PolarHBondContact OD2-NE 2.87Å; D460-R463 IonicContact OD2-NH1 3.97Å; P461-R463 VanDerWaalsContact C-N 3.28Å; P461-R463 PolarHBondContact O-N 2.63Å |
| 464 | R | 91.6 | Very high | 91.4 | Very high | 62 Ų | 62 | 45.6 Ų | 45.6 | 23% | 0.234 | 22% | 0.221 | C | C | . | . | trans | -67 | 143.1 | 178.2 | -178.7 | 168.2 | 172.4 | 102.1 | 6.9 | 110.6 | N395 Q458 D460 D466 | N395-R464 WeakPolarHBondContact CB-O 3.3Å; Q458-R464 PolarHBondContact O-NH1 2.72Å; D460-R464 PolarHBondContact O-N 3.27Å; R464-D466 IonicContact CZ-OD1 3.42Å; R464-D466 IonicContact NE-OD1 3.13Å; R464-D466 PolarHBondContact NE-OD1 3.27Å; R464-D466 IonicContact NE-OD2 2.72Å; R464-D466 IonicContact NH2-OD1 2.71Å; R464-D466 PolarHBondContact NH2-OD1 3.34Å | ||
| 465 | F | 94.4 | Very high | 91.3 | Very high | 5 Ų | 5 | 52 Ų | 52 | 2% | 0.022 | 25% | 0.249 | C | C | . | . | trans | -127.7 | 112.6 | 172.7 | 175.5 | -119.6 | 0 | 0 | 0 | 108 | E393 I456 Q458 T474 K477 I478 Y490 | E393-F465 HydrophobicContact CB-CE2 3.97Å; E393-F465 HydrophobicContact CG-CE2 3.84Å; E393-F465 VanDerWaalsContact O-CD2 3.26Å; E393-F465 WeakPolarHBondContact O-CD2 3.49Å; I456-F465 HydrophobicContact CD1-CB 4.06Å; I456-F465 HydrophobicContact CD1-CD1 3.94Å; I456-F465 HydrophobicContact CD1-CG 4.31Å; I456-F465 HydrophobicContact CG1-CB 3.97Å; I456-F465 HydrophobicContact CG2-CB 4.36Å; Q458-F465 PolarHBondContact NE2-O 2.98Å; F465-T474 HydrophobicContact CE1-CG2 3.85Å; F465-T474 HydrophobicContact CZ-CG2 4.48Å; F465-K477 HydrophobicContact CE1-CB 4.17Å; F465-K477 HydrophobicContact CZ-CB 3.78Å; F465-K477 HydrophobicContact CZ-CG 4.49Å; F465-I478 HydrophobicContact CD1-CD1 4.1Å; F465-I478 HydrophobicContact CD1-CG1 3.98Å; F465-I478 HydrophobicContact CE1-CD1 4.05Å; F465-I478 HydrophobicContact CE1-CG1 3.77Å; F465-Y490 AromaticContact CD2-CD2 3.69Å; F465-Y490 HydrophobicContact CD2-CD2 3.69Å; F465-Y490 HydrophobicContact CD2-CE2 4.23Å; F465-Y490 HydrophobicContact CD2-CG 4.43Å; F465-Y490 HydrophobicContact CE1-CD2 4.27Å; F465-Y490 AromaticContact CE2-CD2 3.4Å; F465-Y490 HydrophobicContact CE2-CD2 3.4Å; F465-Y490 VanDerWaalsContact CE2-CD2 3.4Å; F465-Y490 AromaticContact CE2-CE2 3.6Å; F465-Y490 HydrophobicContact CE2-CE2 3.6Å; F465-Y490 HydrophobicContact CG-CD2 4.25Å; F465-Y490 AromaticContact CZ-CD2 3.72Å; F465-Y490 HydrophobicContact CZ-CD2 3.72Å; F465-Y490 HydrophobicContact CZ-CE2 4.01Å | ||
| 466 | D | 94.3 | Very high | 91.1 | Very high | 25 Ų | 25 | 56.1 Ų | 56.1 | 13% | 0.134 | 27% | 0.269 | C | S | . | . | trans | -89.9 | -14.7 | -177.3 | -58.3 | -82.1 | 0 | 0 | 0 | 113 | I262 R267 R464 | I262-D466 HydrophobicContact CB-CB 4.08Å; I262-D466 HydrophobicContact CG2-CB 3.89Å; R267-D466 IonicContact CZ-OD2 2.64Å; R267-D466 IonicContact NE-OD2 2.63Å; R267-D466 VanDerWaalsContact NH2-CB 3.31Å; R267-D466 IonicContact NH2-OD2 3.78Å; R267-D466 PolarHBondContact NH2-OD2 3.42Å; R464-D466 IonicContact CZ-OD1 3.42Å; R464-D466 IonicContact NE-OD1 3.13Å; R464-D466 PolarHBondContact NE-OD1 3.27Å; R464-D466 IonicContact NE-OD2 2.72Å; R464-D466 IonicContact NH2-OD1 2.71Å; R464-D466 PolarHBondContact NH2-OD1 3.34Å | ||
| 467 | G | 93.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | 71.9 | -152.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I262 T474 | I262-G467 PolarHBondContact N-O 3.48Å; G467-T474 WeakPolarHBondContact CA-OG1 3.43Å | ||
| 468 | Y | 93.7 | Very high | 91 | Very high | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -115.2 | 163.3 | 179.3 | -50.7 | -87 | 0 | 0 | 0 | 110.2 | K259 A260 A261 E393 N470 A473 T474 K477 | K259-Y468 HydrophobicContact CB-CD1 3.8Å; K259-Y468 HydrophobicContact CB-CE1 4.09Å; K259-Y468 HydrophobicContact CB-CG 4.41Å; A260-Y468 CarbonylContact O-C 3.48Å; A260-Y468 WeakPolarHBondContact O-CA 3.32Å; A260-Y468 WeakPolarHBondContact O-CB 3.43Å; A261-Y468 HydrophobicContact CB-CD1 3.9Å; A261-Y468 HydrophobicContact CB-CE1 4.04Å; E393-Y468 HydrophobicContact CB-CE1 4.41Å; E393-Y468 HydrophobicContact CG-CE1 4.18Å; E393-Y468 WeakPolarHBondContact CG-OH 3.46Å; E393-Y468 PolarHBondContact OE1-OH 3.4Å; Y468-N470 PolarHBondContact O-N 2.86Å; Y468-A473 HydrophobicContact CD2-CB 3.7Å; Y468-A473 HydrophobicContact CE2-CB 4.28Å; Y468-A473 HydrophobicContact CG-CB 4.13Å; Y468-T474 PolarHBondContact N-OG1 3.02Å; Y468-T474 PolarHBondContact O-OG1 2.96Å; Y468-K477 HydrophobicContact CE2-CG 3.85Å; Y468-K477 WeakPolarHBondContact OH-CE 3.29Å |
| 469 | A | 92.4 | Very high | 91.2 | Very high | 31 Ų | 31 | 54 Ų | 54 | 26% | 0.256 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -54 | -40.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V173 Y248 A260 Q471 | V173-A469 HydrophobicContact CG1-CB 4.22Å; Y248-A469 HydrophobicContact CE1-CB 3.98Å; A260-A469 HydrophobicContact CB-CB 4.02Å; A260-A469 PolarHBondContact O-N 3.16Å; A469-Q471 PolarHBondContact O-N 2.61Å |
| 470 | N | 89.4 | Confident | 91.5 | Very high | 82 Ų | 82 | 49 Ų | 49 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -78.8 | 117.1 | 172.6 | -176.9 | -56.6 | 0 | 0 | 0 | 111.3 | Y468 D472 A473 T474 | Y468-N470 PolarHBondContact O-N 2.86Å; N470-D472 PolarHBondContact O-N 3.24Å; N470-D472 PolarHBondContact OD1-N 3.45Å; N470-A473 HydrophobicContact CB-CB 4.15Å; N470-A473 WeakPolarHBondContact O-CB 3.42Å; N470-A473 PolarHBondContact O-N 3.31Å; N470-A473 PolarHBondContact OD1-N 3.11Å; N470-T474 PolarHBondContact O-N 3.04Å; N470-T474 PolarHBondContact O-OG1 3.43Å |
| 471 | Q | 91.3 | Very high | 91.8 | Very high | 114 Ų | 114 | 50.5 Ų | 50.5 | 53% | 0.533 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.1 | -30.2 | -176.6 | -65.6 | -56 | -41 | 0 | 0 | 114.1 | A469 T474 K475 | A469-Q471 PolarHBondContact O-N 2.61Å; Q471-T474 WeakPolarHBondContact O-CB 3.39Å; Q471-T474 PolarHBondContact O-N 2.82Å; Q471-K475 WeakPolarHBondContact O-CG 3.34Å; Q471-K475 PolarHBondContact O-N 3.47Å |
| 472 | D | 89.9 | Confident | 92.3 | Very high | 91 Ų | 91 | 49.5 Ų | 49.5 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -73.6 | -34.3 | 178.3 | -64.4 | -29.5 | 0 | 0 | 0 | 111.5 | N470 T474 K475 K476 | N470-D472 PolarHBondContact O-N 3.24Å; N470-D472 PolarHBondContact OD1-N 3.45Å; D472-T474 VanDerWaalsContact C-N 3.27Å; D472-T474 PolarHBondContact O-N 3.38Å; D472-K475 PolarHBondContact O-N 3.09Å; D472-K475 IonicContact OD1-NZ 2.79Å; D472-K475 PolarHBondContact OD1-NZ 3.49Å; D472-K476 WeakPolarHBondContact O-CG 3.15Å; D472-K476 PolarHBondContact O-N 3.37Å; D472-K476 VanDerWaalsContact O-N 3.16Å |
| 473 | A | 86.9 | Confident | 92.6 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 7% | 0.074 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61 | -38.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K259 Y468 N470 | K259-A473 HydrophobicContact CD-CB 4.05Å; Y468-A473 HydrophobicContact CD2-CB 3.7Å; Y468-A473 HydrophobicContact CE2-CB 4.28Å; Y468-A473 HydrophobicContact CG-CB 4.13Å; N470-A473 HydrophobicContact CB-CB 4.15Å; N470-A473 WeakPolarHBondContact O-CB 3.42Å; N470-A473 PolarHBondContact O-N 3.31Å; N470-A473 PolarHBondContact OD1-N 3.11Å |
| 474 | T | 92 | Very high | 92.7 | Very high | 14 Ų | 14 | 56.2 Ų | 56.2 | 9% | 0.086 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.8 | -49.8 | 175.9 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | F465 G467 Y468 N470 Q471 D472 K476 K477 I478 | F465-T474 HydrophobicContact CE1-CG2 3.85Å; F465-T474 HydrophobicContact CZ-CG2 4.48Å; G467-T474 WeakPolarHBondContact CA-OG1 3.43Å; Y468-T474 PolarHBondContact N-OG1 3.02Å; Y468-T474 PolarHBondContact O-OG1 2.96Å; N470-T474 PolarHBondContact O-N 3.04Å; N470-T474 PolarHBondContact O-OG1 3.43Å; Q471-T474 WeakPolarHBondContact O-CB 3.39Å; Q471-T474 PolarHBondContact O-N 2.82Å; D472-T474 VanDerWaalsContact C-N 3.27Å; D472-T474 PolarHBondContact O-N 3.38Å; T474-K476 VanDerWaalsContact C-N 3.29Å; T474-K476 PolarHBondContact O-N 3.44Å; T474-K477 PolarHBondContact O-N 2.95Å; T474-I478 HydrophobicContact CG2-CD1 4.13Å |
| 475 | K | 93.2 | Very high | 92.9 | Very high | 135 Ų | 135 | 59.9 Ų | 59.9 | 59% | 0.587 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -57.3 | -41 | -179.9 | -70.2 | 169.2 | -166.9 | 160.4 | 0 | 112 | Q471 D472 K477 I478 | Q471-K475 WeakPolarHBondContact O-CG 3.34Å; Q471-K475 PolarHBondContact O-N 3.47Å; D472-K475 PolarHBondContact O-N 3.09Å; D472-K475 IonicContact OD1-NZ 2.79Å; D472-K475 PolarHBondContact OD1-NZ 3.49Å; K475-K477 PolarHBondContact O-N 3.11Å; K475-K477 VanDerWaalsContact O-N 3.13Å; K475-I478 PolarHBondContact O-N 2.89Å |
| 476 | K | 90.6 | Very high | 92.8 | Very high | 155 Ų | 155 | 66.7 Ų | 66.7 | 67% | 0.674 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -20.7 | 177.4 | -73.3 | 176.6 | -177.6 | -177.6 | 0 | 114 | D472 T474 | D472-K476 WeakPolarHBondContact O-CG 3.15Å; D472-K476 PolarHBondContact O-N 3.37Å; D472-K476 VanDerWaalsContact O-N 3.16Å; T474-K476 VanDerWaalsContact C-N 3.29Å; T474-K476 PolarHBondContact O-N 3.44Å |
| 477 | K | 92.4 | Very high | 92.8 | Very high | 47 Ų | 47 | 65.9 Ų | 65.9 | 20% | 0.204 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 0.1 | 177.3 | -70.7 | -66 | -169.7 | 176.2 | 0 | 113.4 | F465 Y468 T474 K475 Y490 L491 S492 | F465-K477 HydrophobicContact CE1-CB 4.17Å; F465-K477 HydrophobicContact CZ-CB 3.78Å; F465-K477 HydrophobicContact CZ-CG 4.49Å; Y468-K477 HydrophobicContact CE2-CG 3.85Å; Y468-K477 WeakPolarHBondContact OH-CE 3.29Å; T474-K477 PolarHBondContact O-N 2.95Å; K475-K477 PolarHBondContact O-N 3.11Å; K475-K477 VanDerWaalsContact O-N 3.13Å; K477-Y490 HydrophobicContact CB-CD2 4.09Å; K477-Y490 HydrophobicContact CB-CE2 4.03Å; K477-Y490 HydrophobicContact CD-CE2 4.05Å; K477-Y490 HydrophobicContact CG-CE2 4.2Å; K477-Y490 CarbonylContact O-C 3.51Å; K477-Y490 WeakPolarHBondContact O-CA 3.2Å; K477-L491 VanDerWaalsContact CD-O 3.24Å; K477-L491 WeakPolarHBondContact CD-O 3.18Å; K477-L491 PolarHBondContact O-N 3.3Å; K477-S492 PolarHBondContact NZ-O 3.42Å |
| 478 | I | 95.3 | Very high | 92.9 | Very high | 58 Ų | 58 | 67.5 Ų | 67.5 | 30% | 0.297 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 124.9 | -178.4 | -59.9 | 174.3 | 0 | 0 | 0 | 109.5 | I456 F465 T474 K475 A489 | I456-I478 HydrophobicContact CD1-CD1 4.45Å; I456-I478 HydrophobicContact CD1-CG1 3.99Å; I456-I478 HydrophobicContact CD1-CG2 4.24Å; F465-I478 HydrophobicContact CD1-CD1 4.1Å; F465-I478 HydrophobicContact CD1-CG1 3.98Å; F465-I478 HydrophobicContact CE1-CD1 4.05Å; F465-I478 HydrophobicContact CE1-CG1 3.77Å; T474-I478 HydrophobicContact CG2-CD1 4.13Å; K475-I478 PolarHBondContact O-N 2.89Å; I478-A489 WeakPolarHBondContact CA-O 3.43Å |
| 479 | V | 95 | Very high | 93 | Very high | 14 Ų | 14 | 67.3 Ų | 67.3 | 9% | 0.085 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 141.6 | 170.8 | 51.4 | 0 | 0 | 0 | 0 | 110.1 | L433 R435 V453 V482 S488 A489 L491 | L433-V479 HydrophobicContact CD1-CB 4.04Å; L433-V479 HydrophobicContact CD1-CG1 4.32Å; L433-V479 HydrophobicContact CD1-CG2 3.46Å; L433-V479 VanDerWaalsContact CD1-CG2 3.46Å; R435-V479 VanDerWaalsContact NH2-CG2 3.33Å; V453-V479 HydrophobicContact CG1-CG1 4.45Å; V479-V482 HydrophobicContact CB-CG2 4.17Å; V479-V482 HydrophobicContact CG1-CG2 3.52Å; V479-V482 HydrophobicContact CG2-CG2 3.72Å; V479-S488 CarbonylContact O-C 3.48Å; V479-S488 VanDerWaalsContact O-CA 3.32Å; V479-S488 WeakPolarHBondContact O-CA 3.39Å; V479-A489 HydrophobicContact CG1-CB 4.12Å; V479-A489 WeakPolarHBondContact CG1-O 3.3Å; V479-A489 PolarHBondContact N-O 2.82Å; V479-A489 PolarHBondContact O-N 2.98Å; V479-L491 HydrophobicContact CG1-CB 4.29Å |
| 480 | Q | 95.9 | Very high | 93.2 | Very high | 90 Ų | 90 | 65.9 Ų | 65.9 | 42% | 0.421 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 158.8 | 175.6 | -57.1 | -63 | -27.7 | 0 | 0 | 112.2 | R435 D487 S488 | R435-Q480 PolarHBondContact NH1-O 2.84Å; R435-Q480 PolarHBondContact NH2-O 3.44Å; Q480-D487 CarbonylContact C-O 3.57Å; Q480-D487 VanDerWaalsContact CA-O 3.29Å; Q480-D487 WeakPolarHBondContact CA-O 3.19Å; Q480-D487 PolarHBondContact OE1-O 2.82Å; Q480-S488 VanDerWaalsContact CD-OG 3.23Å; Q480-S488 PolarHBondContact NE2-OG 3.04Å; Q480-S488 PolarHBondContact OE1-OG 3.28Å |
| 481 | N | 95.8 | Very high | 93.4 | Very high | 49 Ų | 49 | 63.6 Ų | 63.6 | 26% | 0.262 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 58.1 | 56.6 | 172.1 | -57.9 | -47.6 | 0 | 0 | 0 | 112.3 | R435 L440 C441 K485 N486 D487 | R435-N481 PolarHBondContact NH1-O 3.35Å; L440-N481 WeakPolarHBondContact CA-O 3.4Å; L440-N481 HydrophobicContact CD2-CB 4.13Å; C441-N481 PolarHBondContact N-O 2.84Å; N481-K485 WeakPolarHBondContact OD1-CA 3.37Å; N481-N486 PolarHBondContact OD1-N 2.98Å; N481-D487 WeakPolarHBondContact CA-OD1 3.47Å; N481-D487 PolarHBondContact N-O 3.32Å; N481-D487 PolarHBondContact N-OD1 3.47Å |
| 482 | V | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -101.9 | -54.7 | -175.8 | -179.7 | 0 | 0 | 0 | 0 | 112 | V424 C441 V453 V479 D487 A489 | V424-V482 HydrophobicContact CG1-CG1 4.18Å; C441-V482 HydrophobicContact CB-CG1 4.2Å; V453-V482 HydrophobicContact CB-CG1 4.37Å; V453-V482 HydrophobicContact CG2-CG1 3.64Å; V479-V482 HydrophobicContact CB-CG2 4.17Å; V479-V482 HydrophobicContact CG1-CG2 3.52Å; V479-V482 HydrophobicContact CG2-CG2 3.72Å; V482-D487 PolarHBondContact N-OD1 2.73Å; V482-A489 HydrophobicContact CB-CB 4Å; V482-A489 HydrophobicContact CG1-CB 4.16Å; V482-A489 HydrophobicContact CG2-CB 3.78Å |
| 483 | F | 92.1 | Very high | 93.4 | Very high | 52 Ų | 52 | 55 Ų | 55 | 23% | 0.228 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -99.4 | -32.8 | 179.2 | -52.9 | -105.6 | 0 | 0 | 0 | 111 | P420 R422 V453 R455 D487 A489 | P420-F483 VanDerWaalsContact O-CZ 3.23Å; P420-F483 WeakPolarHBondContact O-CZ 3.43Å; R422-F483 HydrophobicContact CB-CE1 4.19Å; R422-F483 HydrophobicContact CG-CE1 3.77Å; R422-F483 HydrophobicContact CG-CZ 3.98Å; V453-F483 HydrophobicContact CG2-CE2 4.47Å; V453-F483 HydrophobicContact CG2-CZ 4.28Å; R455-F483 HydrophobicContact CB-CD2 3.98Å; R455-F483 HydrophobicContact CB-CE2 3.63Å; R455-F483 HydrophobicContact CB-CZ 4.07Å; R455-F483 HydrophobicContact CG-CD2 4.28Å; R455-F483 HydrophobicContact CG-CE2 4.39Å; F483-D487 VanDerWaalsContact CA-OD2 3.3Å; F483-D487 WeakPolarHBondContact CA-OD2 3.21Å; F483-D487 WeakPolarHBondContact CB-OD2 3.29Å; F483-D487 WeakPolarHBondContact CD2-OD2 3.15Å; F483-D487 PolarHBondContact N-OD1 3.37Å; F483-D487 PolarHBondContact N-OD2 3.44Å; F483-A489 HydrophobicContact CE2-CB 3.92Å |
| 484 | R | 93.3 | Very high | 93.5 | Very high | 143 Ų | 143 | 55.4 Ų | 55.4 | 54% | 0.54 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -154.3 | 165.2 | 177.7 | 63.1 | -175.6 | -170.2 | 176.4 | 10.6 | 110.5 | L440 N486 D487 | L440-R484 VanDerWaalsContact CD2-C 3.49Å; R484-N486 PolarHBondContact O-N 3.37Å; R484-D487 HydrophobicContact CG-CB 3.8Å; R484-D487 PolarHBondContact N-OD2 3.03Å; R484-D487 PolarHBondContact O-N 2.94Å |
| 485 | K | 93.9 | Very high | 93.4 | Very high | 139 Ų | 139 | 55.5 Ų | 55.5 | 60% | 0.604 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 139.4 | 174.6 | -69.6 | -170.5 | 174.6 | -173.6 | 0 | 110.5 | R438 L440 N481 D487 | R438-K485 WeakPolarHBondContact O-CE 3.33Å; L440-K485 HydrophobicContact CD2-CG 4.16Å; N481-K485 WeakPolarHBondContact OD1-CA 3.37Å; K485-D487 VanDerWaalsContact C-N 3.26Å; K485-D487 PolarHBondContact O-N 3.07Å |
| 486 | N | 93 | Very high | 93.4 | Very high | 149 Ų | 149 | 49 Ų | 49 | 80% | 0.797 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 25 | 179.1 | -50.8 | -32.1 | 0 | 0 | 0 | 114.6 | N481 R484 | N481-N486 PolarHBondContact OD1-N 2.98Å; R484-N486 PolarHBondContact O-N 3.37Å |
| 487 | D | 94.5 | Very high | 93.7 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | trans | -97.5 | 160.9 | 164.9 | 77.9 | -7.1 | 0 | 0 | 0 | 112.2 | Q480 N481 V482 F483 R484 K485 | Q480-D487 CarbonylContact C-O 3.57Å; Q480-D487 VanDerWaalsContact CA-O 3.29Å; Q480-D487 WeakPolarHBondContact CA-O 3.19Å; Q480-D487 PolarHBondContact OE1-O 2.82Å; N481-D487 WeakPolarHBondContact CA-OD1 3.47Å; N481-D487 PolarHBondContact N-O 3.32Å; N481-D487 PolarHBondContact N-OD1 3.47Å; V482-D487 PolarHBondContact N-OD1 2.73Å; F483-D487 VanDerWaalsContact CA-OD2 3.3Å; F483-D487 WeakPolarHBondContact CA-OD2 3.21Å; F483-D487 WeakPolarHBondContact CB-OD2 3.29Å; F483-D487 WeakPolarHBondContact CD2-OD2 3.15Å; F483-D487 PolarHBondContact N-OD1 3.37Å; F483-D487 PolarHBondContact N-OD2 3.44Å; R484-D487 HydrophobicContact CG-CB 3.8Å; R484-D487 PolarHBondContact N-OD2 3.03Å; R484-D487 PolarHBondContact O-N 2.94Å; K485-D487 VanDerWaalsContact C-N 3.26Å; K485-D487 PolarHBondContact O-N 3.07Å | ||
| 488 | S | 95.8 | Very high | 93.9 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 25% | 0.245 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 145.1 | 173.4 | -42.6 | 0 | 0 | 0 | 0 | 110 | I456 V479 Q480 | I456-S488 PolarHBondContact N-O 3.47Å; V479-S488 CarbonylContact O-C 3.48Å; V479-S488 VanDerWaalsContact O-CA 3.32Å; V479-S488 WeakPolarHBondContact O-CA 3.39Å; Q480-S488 VanDerWaalsContact CD-OG 3.23Å; Q480-S488 PolarHBondContact NE2-OG 3.04Å; Q480-S488 PolarHBondContact OE1-OG 3.28Å |
| 489 | A | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 148.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V453 G454 I478 V479 V482 F483 | V453-A489 HydrophobicContact CB-CB 4.21Å; G454-A489 CarbonylContact O-C 3.47Å; G454-A489 VanDerWaalsContact O-CA 3.31Å; G454-A489 WeakPolarHBondContact O-CA 3.24Å; I478-A489 WeakPolarHBondContact CA-O 3.43Å; V479-A489 HydrophobicContact CG1-CB 4.12Å; V479-A489 WeakPolarHBondContact CG1-O 3.3Å; V479-A489 PolarHBondContact N-O 2.82Å; V479-A489 PolarHBondContact O-N 2.98Å; V482-A489 HydrophobicContact CB-CB 4Å; V482-A489 HydrophobicContact CG1-CB 4.16Å; V482-A489 HydrophobicContact CG2-CB 3.78Å; F483-A489 HydrophobicContact CE2-CB 3.92Å |
| 490 | Y | 95.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 133 | 167.5 | 168.3 | -97.5 | 0 | 0 | 0 | 108.5 | E393 C394 N395 C396 V453 G454 F465 K477 S492 | E393-Y490 HydrophobicContact CG-CE2 3.78Å; E393-Y490 PolarHBondContact OE1-OH 2.83Å; C394-Y490 HydrophobicContact CB-CD1 4.22Å; C394-Y490 HydrophobicContact CB-CE1 3.49Å; C394-Y490 VanDerWaalsContact CB-CE1 3.49Å; N395-Y490 WeakPolarHBondContact OD1-CB 3.36Å; C396-Y490 WeakPolarHBondContact SG-CD1 3.47Å; C396-Y490 WeakPolarHBondContact SG-CE1 3.23Å; V453-Y490 WeakPolarHBondContact CA-O 3.47Å; G454-Y490 PolarHBondContact N-O 3.38Å; G454-Y490 PolarHBondContact O-N 3.24Å; F465-Y490 AromaticContact CD2-CD2 3.69Å; F465-Y490 HydrophobicContact CD2-CD2 3.69Å; F465-Y490 HydrophobicContact CD2-CE2 4.23Å; F465-Y490 HydrophobicContact CD2-CG 4.43Å; F465-Y490 HydrophobicContact CE1-CD2 4.27Å; F465-Y490 AromaticContact CE2-CD2 3.4Å; F465-Y490 HydrophobicContact CE2-CD2 3.4Å; F465-Y490 VanDerWaalsContact CE2-CD2 3.4Å; F465-Y490 AromaticContact CE2-CE2 3.6Å; F465-Y490 HydrophobicContact CE2-CE2 3.6Å; F465-Y490 HydrophobicContact CG-CD2 4.25Å; F465-Y490 AromaticContact CZ-CD2 3.72Å; F465-Y490 HydrophobicContact CZ-CD2 3.72Å; F465-Y490 HydrophobicContact CZ-CE2 4.01Å; K477-Y490 HydrophobicContact CB-CD2 4.09Å; K477-Y490 HydrophobicContact CB-CE2 4.03Å; K477-Y490 HydrophobicContact CD-CE2 4.05Å; K477-Y490 HydrophobicContact CG-CE2 4.2Å; K477-Y490 CarbonylContact O-C 3.51Å; K477-Y490 WeakPolarHBondContact O-CA 3.2Å; Y490-S492 VanDerWaalsContact CE1-CA 3.47Å |
| 491 | L | 93.9 | Very high | 93.9 | Very high | 34 Ų | 34 | 41.1 Ų | 41.1 | 18% | 0.178 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 111.5 | 174.9 | -175.3 | 64.2 | 0 | 0 | 0 | 109.4 | L433 L451 V453 K477 V479 G493 | L433-L491 HydrophobicContact CD2-CD1 4.42Å; L451-L491 HydrophobicContact CB-CD1 4.01Å; L451-L491 HydrophobicContact CD1-CD1 3.85Å; V453-L491 HydrophobicContact CG1-CD1 3.6Å; K477-L491 VanDerWaalsContact CD-O 3.24Å; K477-L491 WeakPolarHBondContact CD-O 3.18Å; K477-L491 PolarHBondContact O-N 3.3Å; V479-L491 HydrophobicContact CG1-CB 4.29Å; L491-G493 VanDerWaalsContact C-N 3.32Å; L491-G493 PolarHBondContact O-N 3.31Å |
| 492 | S | 91.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 38.8 Ų | 38.8 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | -44.1 | 179.3 | 56.7 | 0 | 0 | 0 | 0 | 112.2 | Y389 L452 K477 Y490 D494 | Y389-S492 VanDerWaalsContact OH-CB 3.31Å; Y389-S492 WeakPolarHBondContact OH-CB 3.41Å; L452-S492 PolarHBondContact N-OG 3.05Å; L452-S492 WeakPolarHBondContact O-CB 3.45Å; L452-S492 PolarHBondContact O-N 3.04Å; L452-S492 VanDerWaalsContact O-N 3.1Å; L452-S492 PolarHBondContact O-OG 3.16Å; K477-S492 PolarHBondContact NZ-O 3.42Å; Y490-S492 VanDerWaalsContact CE1-CA 3.47Å; S492-D494 VanDerWaalsContact C-N 3.3Å; S492-D494 PolarHBondContact OG-N 3.17Å; S492-D494 VanDerWaalsContact OG-N 3.11Å; S492-D494 PolarHBondContact OG-O 2.79Å |
| 493 | G | 88.3 | Confident | 94 | Very high | 18 Ų | 18 | 39.9 Ų | 39.9 | 19% | 0.186 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 81.3 | 11.8 | -165.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L491 S510 | L491-G493 VanDerWaalsContact C-N 3.32Å; L491-G493 PolarHBondContact O-N 3.31Å; G493-S510 WeakPolarHBondContact O-CB 3.44Å; G493-S510 PolarHBondContact O-N 3.05Å |
| 494 | D | 89.4 | Confident | 94.2 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 10% | 0.102 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 136.2 | 177 | -63.1 | -43 | 0 | 0 | 0 | 110.4 | Y389 L451 L452 S492 L496 F506 | Y389-D494 HydrophobicContact CE2-CB 4.11Å; Y389-D494 WeakPolarHBondContact CE2-OD2 3.45Å; Y389-D494 VanDerWaalsContact CZ-OD2 3.3Å; Y389-D494 WeakPolarHBondContact OH-CB 3.45Å; Y389-D494 PolarHBondContact OH-OD2 2.91Å; L451-D494 WeakPolarHBondContact CA-O 3.47Å; L451-D494 WeakPolarHBondContact CD2-O 3.48Å; L452-D494 PolarHBondContact N-O 2.92Å; S492-D494 VanDerWaalsContact C-N 3.3Å; S492-D494 PolarHBondContact OG-N 3.17Å; S492-D494 VanDerWaalsContact OG-N 3.11Å; S492-D494 PolarHBondContact OG-O 2.79Å; D494-L496 HydrophobicContact CB-CD1 3.67Å; D494-L496 WeakPolarHBondContact O-CD1 3.41Å; D494-F506 HydrophobicContact CB-CD2 4.45Å; D494-F506 HydrophobicContact CB-CE2 3.93Å |
| 495 | V | 90 | Very high | 94.2 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 119.9 | 175.8 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | M431 P449 G450 L451 R507 D508 | M431-V495 HydrophobicContact CE-CG2 3.85Å; P449-V495 HydrophobicContact CB-CG1 3.86Å; G450-V495 WeakPolarHBondContact O-CA 3.43Å; L451-V495 HydrophobicContact CD2-CG2 3.82Å; V495-R507 HydrophobicContact CG1-CB 4.33Å; V495-R507 WeakPolarHBondContact O-CB 3.47Å; V495-R507 PolarHBondContact O-N 2.91Å; V495-D508 PolarHBondContact N-O 3.23Å; V495-D508 PolarHBondContact O-N 3Å |
| 496 | L | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 160.8 | 176.2 | -72.4 | 75.1 | 0 | 0 | 0 | 109.5 | Y389 I398 L423 P449 G450 L452 D494 M504 Y505 | Y389-L496 HydrophobicContact CE2-CD1 4.27Å; I398-L496 HydrophobicContact CD1-CD2 4.25Å; L423-L496 HydrophobicContact CD1-CB 4.32Å; L423-L496 WeakPolarHBondContact CD1-O 3.26Å; L423-L496 HydrophobicContact CD2-CB 3.8Å; P449-L496 WeakPolarHBondContact CA-O 3.37Å; G450-L496 PolarHBondContact N-O 3.15Å; G450-L496 PolarHBondContact O-N 3.49Å; L452-L496 HydrophobicContact CB-CD1 3.98Å; L452-L496 HydrophobicContact CD2-CD2 4.21Å; D494-L496 HydrophobicContact CB-CD1 3.67Å; D494-L496 WeakPolarHBondContact O-CD1 3.41Å; L496-M504 HydrophobicContact CD2-CB 4.18Å; L496-M504 HydrophobicContact CD2-SD 4.41Å; L496-Y505 VanDerWaalsContact CA-O 3.29Å; L496-Y505 WeakPolarHBondContact CA-O 3.4Å |
| 497 | V | 95.2 | Very high | 93.7 | Very high | 14 Ų | 14 | 27.9 Ų | 27.9 | 9% | 0.085 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 139.6 | 167.4 | 172.4 | 0 | 0 | 0 | 0 | 108.2 | G447 P449 M504 Y505 R507 | G447-V497 WeakPolarHBondContact O-CG1 3.43Å; P449-V497 HydrophobicContact CB-CG2 3.94Å; V497-M504 CarbonylContact O-C 3.49Å; V497-M504 WeakPolarHBondContact O-CA 3.28Å; V497-Y505 PolarHBondContact N-O 3.35Å; V497-Y505 PolarHBondContact O-N 2.88Å; V497-R507 HydrophobicContact CB-CG 4.32Å; V497-R507 HydrophobicContact CG2-CG 3.65Å |
| 498 | M | 96.8 | Very high | 93 | Very high | 16 Ų | 16 | 27.7 Ų | 27.7 | 8% | 0.079 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131.9 | 175.3 | -174 | -177.3 | 66.7 | 0 | 0 | 110 | N411 L423 P446 G447 Y503 M504 | N411-M498 HydrophobicContact CB-SD 4.25Å; L423-M498 HydrophobicContact CD1-CB 3.73Å; P446-M498 CarbonylContact C-O 3.52Å; P446-M498 VanDerWaalsContact CA-O 3.24Å; P446-M498 WeakPolarHBondContact CA-O 3.24Å; G447-M498 PolarHBondContact N-O 2.89Å; M498-Y503 CarbonylContact C-O 3.57Å; M498-Y503 VanDerWaalsContact CA-O 3.23Å; M498-Y503 WeakPolarHBondContact CA-O 3.32Å; M498-M504 HydrophobicContact CB-CG 4.17Å; M498-M504 HydrophobicContact CG-CE 4.4Å; M498-M504 HydrophobicContact CG-CG 4.07Å; M498-M504 HydrophobicContact SD-CE 3.88Å |
| 499 | D | 96.1 | Very high | 92.1 | Very high | 36 Ų | 36 | 30.9 Ų | 30.9 | 19% | 0.193 | 14% | 0.143 | C | C | . | . | trans | -82.8 | 176.6 | 175.6 | 71.5 | 21.3 | 0 | 0 | 0 | 113.1 | L501 G502 Y503 Y505 | D499-L501 PolarHBondContact O-N 3.15Å; D499-L501 VanDerWaalsContact OD1-C 3.3Å; D499-L501 WeakPolarHBondContact OD1-CA 3.42Å; D499-L501 WeakPolarHBondContact OD1-CB 3.27Å; D499-L501 PolarHBondContact OD1-N 3.05Å; D499-G502 PolarHBondContact O-N 3.41Å; D499-G502 PolarHBondContact OD1-N 2.83Å; D499-Y503 PolarHBondContact N-O 3.44Å; D499-Y503 PolarHBondContact OD1-N 3.43Å; D499-Y503 WeakPolarHBondContact OD2-CB 2.9Å; D499-Y505 HydrophobicContact CB-CE2 3.95Å; D499-Y505 WeakPolarHBondContact OD2-CE2 3.33Å; D499-Y505 PolarHBondContact OD2-OH 3.36Å | ||
| 500 | E | 94.8 | Very high | 90.8 | Very high | 94 Ų | 94 | 33.1 Ų | 33.1 | 44% | 0.439 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26.2 | 179.5 | -72.7 | -76.2 | -168.9 | 0 | 0 | 113.2 | I46 P446 G502 | I46-E500 WeakPolarHBondContact CD1-O 3.47Å; P446-E500 HydrophobicContact CB-CG 3.89Å; P446-E500 HydrophobicContact CG-CG 4.42Å; P446-E500 WeakPolarHBondContact CG-OE2 3.42Å; E500-G502 VanDerWaalsContact C-N 3.3Å |
| 501 | L | 95.3 | Very high | 89.5 | Confident | 38 Ų | 38 | 35.3 Ų | 35.3 | 20% | 0.199 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -0.8 | 176.9 | -57.5 | -178.4 | 0 | 0 | 0 | 112.2 | Y45 I46 R49 T50 R53 D499 Y503 | Y45-L501 HydrophobicContact CE1-CD2 4.18Å; I46-L501 HydrophobicContact CG1-CD2 4.25Å; R49-L501 HydrophobicContact CB-CD2 4.16Å; T50-L501 HydrophobicContact CG2-CB 4.05Å; T50-L501 HydrophobicContact CG2-CD2 4.31Å; R53-L501 PolarHBondContact NH1-O 2.85Å; R53-L501 PolarHBondContact NH2-O 2.99Å; D499-L501 PolarHBondContact O-N 3.15Å; D499-L501 VanDerWaalsContact OD1-C 3.3Å; D499-L501 WeakPolarHBondContact OD1-CA 3.42Å; D499-L501 WeakPolarHBondContact OD1-CB 3.27Å; D499-L501 PolarHBondContact OD1-N 3.05Å; L501-Y503 HydrophobicContact CB-CD2 3.96Å; L501-Y503 HydrophobicContact CB-CE2 4.13Å; L501-Y503 HydrophobicContact CD1-CE2 4.37Å |
| 502 | G | 95.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | 82.5 | 7.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | F410 N411 D499 E500 | F410-G502 CarbonylContact C-O 3.57Å; F410-G502 WeakPolarHBondContact CA-O 3.09Å; F410-G502 VanDerWaalsContact CB-O 3.29Å; F410-G502 WeakPolarHBondContact CB-O 3.33Å; N411-G502 PolarHBondContact N-O 3.2Å; N411-G502 WeakPolarHBondContact O-CA 3.41Å; D499-G502 PolarHBondContact O-N 3.41Å; D499-G502 PolarHBondContact OD1-N 2.83Å; E500-G502 VanDerWaalsContact C-N 3.3Å | ||
| 503 | Y | 97.3 | Very high | 87.6 | Confident | 22 Ų | 22 | 37.6 Ų | 37.6 | 9% | 0.086 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 142.7 | 169.4 | -67.1 | -78.6 | 0 | 0 | 0 | 109.7 | D402 K404 A407 G409 F410 M498 D499 L501 | D402-Y503 WeakPolarHBondContact OD1-CE1 3.1Å; D402-Y503 PolarHBondContact OD1-OH 3.04Å; D402-Y503 PolarHBondContact OD2-OH 2.95Å; K404-Y503 HydrophobicContact CB-CD1 3.81Å; K404-Y503 HydrophobicContact CB-CE1 3.47Å; K404-Y503 VanDerWaalsContact CB-CE1 3.47Å; K404-Y503 HydrophobicContact CB-CE2 4.43Å; K404-Y503 HydrophobicContact CB-CG 4.42Å; K404-Y503 HydrophobicContact CD-CE2 4.48Å; K404-Y503 HydrophobicContact CG-CD1 3.85Å; K404-Y503 HydrophobicContact CG-CD2 4.09Å; K404-Y503 HydrophobicContact CG-CE1 3.89Å; K404-Y503 HydrophobicContact CG-CE2 4.12Å; K404-Y503 HydrophobicContact CG-CG 3.95Å; A407-Y503 HydrophobicContact CB-CD1 3.91Å; A407-Y503 HydrophobicContact CB-CG 4.25Å; G409-Y503 WeakPolarHBondContact O-CA 3.49Å; F410-Y503 HydrophobicContact CB-CD1 4.18Å; M498-Y503 CarbonylContact C-O 3.57Å; M498-Y503 VanDerWaalsContact CA-O 3.23Å; M498-Y503 WeakPolarHBondContact CA-O 3.32Å; D499-Y503 PolarHBondContact N-O 3.44Å; D499-Y503 PolarHBondContact OD1-N 3.43Å; D499-Y503 WeakPolarHBondContact OD2-CB 2.9Å; L501-Y503 HydrophobicContact CB-CD2 3.96Å; L501-Y503 HydrophobicContact CB-CE2 4.13Å; L501-Y503 HydrophobicContact CD1-CE2 4.37Å |
| 504 | M | 96.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 137.9 | 179.8 | -69.9 | -177.1 | 166.8 | 0 | 0 | 110 | I398 A407 C408 G409 N411 I421 L423 L452 L496 V497 M498 | I398-M504 HydrophobicContact CD1-CB 3.58Å; I398-M504 HydrophobicContact CD1-CG 4.06Å; I398-M504 HydrophobicContact CD1-SD 3.46Å; I398-M504 WeakPolarHBondContact CD1-SD 3.22Å; I398-M504 HydrophobicContact CG2-SD 4.39Å; A407-M504 CarbonylContact C-O 3.4Å; A407-M504 WeakPolarHBondContact CA-O 3.4Å; C408-M504 PolarHBondContact N-O 3.28Å; C408-M504 PolarHBondContact SG-O 3.13Å; C408-M504 VanDerWaalsContact SG-O 3.39Å; G409-M504 PolarHBondContact O-N 3.24Å; N411-M504 HydrophobicContact CB-CE 3.47Å; N411-M504 VanDerWaalsContact CB-CE 3.47Å; N411-M504 HydrophobicContact CB-SD 4.36Å; I421-M504 HydrophobicContact CD1-CE 4.25Å; I421-M504 HydrophobicContact CD1-SD 4.37Å; L423-M504 HydrophobicContact CD2-CE 4.44Å; L423-M504 HydrophobicContact CG-CE 4.35Å; L452-M504 HydrophobicContact CD1-CE 4.34Å; L452-M504 HydrophobicContact CD1-SD 4.38Å; L496-M504 HydrophobicContact CD2-CB 4.18Å; L496-M504 HydrophobicContact CD2-SD 4.41Å; V497-M504 CarbonylContact O-C 3.49Å; V497-M504 WeakPolarHBondContact O-CA 3.28Å; M498-M504 HydrophobicContact CB-CG 4.17Å; M498-M504 HydrophobicContact CG-CE 4.4Å; M498-M504 HydrophobicContact CG-CG 4.07Å; M498-M504 HydrophobicContact SD-CE 3.88Å |
| 505 | Y | 94.8 | Very high | 86.6 | Confident | 47 Ų | 47 | 40.5 Ų | 40.5 | 18% | 0.184 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.4 | -177.5 | -54.2 | -93.3 | 0 | 0 | 0 | 107.7 | K404 G406 A407 L496 V497 D499 | K404-Y505 WeakPolarHBondContact CE-OH 3.17Å; G406-Y505 WeakPolarHBondContact O-CD1 3.22Å; A407-Y505 HydrophobicContact CB-CD1 4.21Å; A407-Y505 HydrophobicContact CB-CE1 3.79Å; L496-Y505 VanDerWaalsContact CA-O 3.29Å; L496-Y505 WeakPolarHBondContact CA-O 3.4Å; V497-Y505 PolarHBondContact N-O 3.35Å; V497-Y505 PolarHBondContact O-N 2.88Å; D499-Y505 HydrophobicContact CB-CE2 3.95Å; D499-Y505 WeakPolarHBondContact OD2-CE2 3.33Å; D499-Y505 PolarHBondContact OD2-OH 3.36Å |
| 506 | F | 91.2 | Very high | 86.2 | Confident | 76 Ų | 76 | 40.2 Ų | 40.2 | 33% | 0.333 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 133.4 | 173.3 | -178.9 | -90.5 | 0 | 0 | 0 | 109.4 | Y389 D494 R509 | Y389-F506 HydrophobicContact CD2-CD2 4.26Å; Y389-F506 HydrophobicContact CE2-CD2 4.08Å; Y389-F506 HydrophobicContact CE2-CE2 4.45Å; D494-F506 HydrophobicContact CB-CD2 4.45Å; D494-F506 HydrophobicContact CB-CE2 3.93Å; F506-R509 HydrophobicContact CZ-CG 4.11Å |
| 507 | R | 84.9 | Confident | 85.1 | Confident | 109 Ų | 109 | 47.8 Ų | 47.8 | 41% | 0.411 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -59.2 | 176.6 | -68.9 | -60.8 | -171.9 | 166.7 | -0.5 | 111.7 | V495 V497 T524 | V495-R507 HydrophobicContact CG1-CB 4.33Å; V495-R507 WeakPolarHBondContact O-CB 3.47Å; V495-R507 PolarHBondContact O-N 2.91Å; V497-R507 HydrophobicContact CB-CG 4.32Å; V497-R507 HydrophobicContact CG2-CG 3.65Å; R507-T524 VanDerWaalsContact O-CB 3.3Å; R507-T524 WeakPolarHBondContact O-CB 3.46Å; R507-T524 PolarHBondContact O-OG1 2.85Å |
| 508 | D | 78.6 | Confident | 83.5 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 171.3 | -178.7 | -138.4 | -33.7 | 0 | 0 | 0 | 111.3 | V495 D512 T513 T523 | V495-D508 PolarHBondContact N-O 3.23Å; V495-D508 PolarHBondContact O-N 3Å; D508-D512 WeakPolarHBondContact OD1-CB 3.38Å; D508-T513 HydrophobicContact CB-CG2 3.6Å; D508-T513 WeakPolarHBondContact OD2-CG2 3.41Å; D508-T523 PolarHBondContact OD1-OG1 3.41Å; D508-T523 PolarHBondContact OD2-N 2.77Å; D508-T523 PolarHBondContact OD2-OG1 2.9Å |
| 509 | R | 77 | Confident | 82.2 | Confident | 102 Ų | 102 | 53.2 Ų | 53.2 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 147.3 | 164.9 | -63.9 | -169.8 | 158.6 | 179.1 | -4.7 | 110.2 | F506 G511 D512 | F506-R509 HydrophobicContact CZ-CG 4.11Å; R509-G511 PolarHBondContact O-N 3.19Å; R509-G511 VanDerWaalsContact O-N 3.09Å; R509-D512 HydrophobicContact CB-CB 4.22Å; R509-D512 WeakPolarHBondContact CB-OD2 3.24Å; R509-D512 PolarHBondContact O-N 3.01Å |
| 510 | S | 70.4 | Confident | 81 | Confident | 47 Ų | 47 | 54.8 Ų | 54.8 | 33% | 0.329 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 117.2 | 172.5 | -175.2 | 0 | 0 | 0 | 0 | 110 | M431 G493 | M431-S510 WeakPolarHBondContact CE-OG 3.47Å; G493-S510 WeakPolarHBondContact O-CB 3.44Å; G493-S510 PolarHBondContact O-N 3.05Å |
| 511 | G | 67.8 | Low | 80 | Confident | 47 Ų | 47 | 50.4 Ų | 50.4 | 49% | 0.485 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | -7.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | R509 | R509-G511 PolarHBondContact O-N 3.19Å; R509-G511 VanDerWaalsContact O-N 3.09Å |
| 512 | D | 71.4 | Confident | 79.3 | Confident | 39 Ų | 39 | 49.6 Ų | 49.6 | 21% | 0.209 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -32.7 | 174.1 | -80 | -5.9 | 0 | 0 | 0 | 111.5 | D508 R509 T523 | D508-D512 WeakPolarHBondContact OD1-CB 3.38Å; R509-D512 HydrophobicContact CB-CB 4.22Å; R509-D512 WeakPolarHBondContact CB-OD2 3.24Å; R509-D512 PolarHBondContact O-N 3.01Å; D512-T523 WeakPolarHBondContact O-CG2 3.48Å |
| 513 | T | 74.9 | Confident | 78.8 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 29% | 0.288 | 25% | 0.247 | S | C | . | . | trans | -62.3 | 151.6 | 171 | 56.5 | 0 | 0 | 0 | 0 | 111.4 | D508 | D508-T513 HydrophobicContact CB-CG2 3.6Å; D508-T513 WeakPolarHBondContact OD2-CG2 3.41Å | ||
| 514 | F | 79.2 | Confident | 78 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 157 | 173.3 | 65 | -90.7 | 0 | 0 | 0 | 111.8 | W516 V521 T523 V541 K552 | F514-W516 HydrophobicContact CD2-CB 4.35Å; F514-W516 HydrophobicContact CE2-CB 4.17Å; F514-V521 HydrophobicContact CD1-CB 4.42Å; F514-V521 HydrophobicContact CD2-CB 4.12Å; F514-V521 HydrophobicContact CD2-CG2 4.33Å; F514-V521 HydrophobicContact CE1-CB 4.03Å; F514-V521 HydrophobicContact CE1-CG1 3.87Å; F514-V521 HydrophobicContact CE2-CB 3.69Å; F514-V521 HydrophobicContact CE2-CG1 4.05Å; F514-V521 HydrophobicContact CE2-CG2 3.78Å; F514-V521 HydrophobicContact CG-CB 4.46Å; F514-V521 HydrophobicContact CZ-CB 3.64Å; F514-V521 HydrophobicContact CZ-CG1 3.5Å; F514-V521 VanDerWaalsContact CZ-CG1 3.5Å; F514-V521 HydrophobicContact CZ-CG2 4.11Å; F514-V521 PolarHBondContact N-O 2.92Å; F514-V521 PolarHBondContact O-N 3.35Å; F514-T523 HydrophobicContact CD1-CG2 3.83Å; F514-T523 HydrophobicContact CE1-CG2 3.89Å; F514-V541 HydrophobicContact CE1-CG1 4.11Å; F514-K552 HydrophobicContact CB-CB 4.03Å; F514-K552 HydrophobicContact CB-CD 4.26Å; F514-K552 HydrophobicContact CD2-CB 4.37Å; F514-K552 WeakPolarHBondContact CD2-O 3.3Å; F514-K552 HydrophobicContact CG-CB 4.46Å |
| 515 | R | 77.3 | Confident | 77 | Confident | 87 Ų | 87 | 55.5 Ų | 55.5 | 33% | 0.328 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 130.4 | 177.3 | -163.7 | 175 | -174.1 | -178.4 | -3.5 | 109.9 | E429 G518 E519 G551 K552 | E429-R515 IonicContact OE1-CZ 2.65Å; E429-R515 IonicContact OE1-NH1 2.98Å; E429-R515 PolarHBondContact OE1-NH1 3.13Å; R515-G518 VanDerWaalsContact NE-C 3.32Å; R515-G518 PolarHBondContact NE-O 3.2Å; R515-G518 PolarHBondContact NH2-O 3.22Å; R515-G518 VanDerWaalsContact NH2-O 3.16Å; R515-E519 CarbonylContact C-O 3.54Å; R515-E519 VanDerWaalsContact CA-O 3.26Å; R515-E519 WeakPolarHBondContact CA-O 3.41Å; R515-E519 WeakPolarHBondContact CG-O 3.43Å; R515-G551 CarbonylContact O-C 3.52Å; R515-G551 VanDerWaalsContact O-CA 3.27Å; R515-G551 WeakPolarHBondContact O-CA 3.3Å; R515-K552 PolarHBondContact O-N 2.63Å |
| 516 | W | 81.4 | Confident | 76.5 | Confident | 9 Ų | 9 | 53.4 Ų | 53.4 | 3% | 0.034 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 118.2 | 177.5 | -178.7 | -120.3 | 0 | 0 | 0 | 109.5 | F514 G518 E519 V521 V549 K552 A553 V585 L648 | F514-W516 HydrophobicContact CD2-CB 4.35Å; F514-W516 HydrophobicContact CE2-CB 4.17Å; W516-G518 VanDerWaalsContact C-N 3.29Å; W516-G518 PolarHBondContact O-N 3.01Å; W516-E519 PolarHBondContact N-O 2.99Å; W516-E519 PolarHBondContact O-N 3.31Å; W516-V521 HydrophobicContact CB-CG2 4.36Å; W516-V549 HydrophobicContact CE3-CG1 4.4Å; W516-V549 HydrophobicContact CH2-CG1 3.81Å; W516-V549 HydrophobicContact CZ3-CG1 3.45Å; W516-V549 VanDerWaalsContact CZ3-CG1 3.45Å; W516-K552 VanDerWaalsContact CE3-C 3.46Å; W516-K552 VanDerWaalsContact CE3-O 3.26Å; W516-A553 VanDerWaalsContact CE3-CA 3.42Å; W516-A553 HydrophobicContact CE3-CB 4.03Å; W516-A553 HydrophobicContact CH2-CB 3.75Å; W516-A553 HydrophobicContact CZ2-CB 4.4Å; W516-A553 VanDerWaalsContact CZ3-CA 3.48Å; W516-A553 HydrophobicContact CZ3-CB 3.54Å; W516-V585 HydrophobicContact CH2-CG2 4.47Å; W516-V585 HydrophobicContact CZ2-CG2 3.73Å; W516-L648 HydrophobicContact CH2-CB 3.95Å; W516-L648 HydrophobicContact CH2-CD2 4.23Å; W516-L648 HydrophobicContact CZ2-CB 4.18Å |
| 517 | R | 71.9 | Confident | 76.3 | Confident | 159 Ų | 159 | 50.2 Ų | 50.2 | 60% | 0.6 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 44.3 | -179.3 | -60.8 | -173.9 | 173.2 | -168 | -4.6 | 114 | E519 L648 | R517-E519 VanDerWaalsContact C-N 3.28Å; R517-E519 PolarHBondContact O-N 3.16Å; R517-L648 PolarHBondContact NH2-O 3.45Å; R517-L648 PolarHBondContact NH2-OXT 2.72Å |
| 518 | G | 60.9 | Low | 76.1 | Confident | 45 Ų | 45 | 45.8 Ų | 45.8 | 46% | 0.464 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -12.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R515 W516 | R515-G518 VanDerWaalsContact NE-C 3.32Å; R515-G518 PolarHBondContact NE-O 3.2Å; R515-G518 PolarHBondContact NH2-O 3.22Å; R515-G518 VanDerWaalsContact NH2-O 3.16Å; W516-G518 VanDerWaalsContact C-N 3.29Å; W516-G518 PolarHBondContact O-N 3.01Å |
| 519 | E | 69.4 | Low | 76.3 | Confident | 100 Ų | 100 | 47.9 Ų | 47.9 | 47% | 0.467 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 141 | -177.8 | -64.3 | -69.3 | 171.7 | 0 | 0 | 112.3 | R515 W516 R517 Y581 | R515-E519 CarbonylContact C-O 3.54Å; R515-E519 VanDerWaalsContact CA-O 3.26Å; R515-E519 WeakPolarHBondContact CA-O 3.41Å; R515-E519 WeakPolarHBondContact CG-O 3.43Å; W516-E519 PolarHBondContact N-O 2.99Å; W516-E519 PolarHBondContact O-N 3.31Å; R517-E519 VanDerWaalsContact C-N 3.28Å; R517-E519 PolarHBondContact O-N 3.16Å; E519-Y581 HydrophobicContact CB-CD1 4.4Å; E519-Y581 HydrophobicContact CB-CD2 3.56Å; E519-Y581 HydrophobicContact CB-CE2 4.11Å; E519-Y581 HydrophobicContact CB-CG 3.74Å; E519-Y581 HydrophobicContact CG-CD1 4.08Å; E519-Y581 HydrophobicContact CG-CD2 4.14Å; E519-Y581 HydrophobicContact CG-CG 3.83Å |
| 520 | N | 70.5 | Confident | 76.8 | Confident | 68 Ų | 68 | 43 Ų | 43 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 129.3 | 174.8 | -74.4 | -45.4 | 0 | 0 | 0 | 110.9 | E428 | E428-N520 PolarHBondContact OE2-ND2 3.48Å |
| 521 | V | 74.7 | Confident | 77.6 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 118 | 178.1 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | F514 W516 V526 Y581 A582 | F514-V521 HydrophobicContact CD1-CB 4.42Å; F514-V521 HydrophobicContact CD2-CB 4.12Å; F514-V521 HydrophobicContact CD2-CG2 4.33Å; F514-V521 HydrophobicContact CE1-CB 4.03Å; F514-V521 HydrophobicContact CE1-CG1 3.87Å; F514-V521 HydrophobicContact CE2-CB 3.69Å; F514-V521 HydrophobicContact CE2-CG1 4.05Å; F514-V521 HydrophobicContact CE2-CG2 3.78Å; F514-V521 HydrophobicContact CG-CB 4.46Å; F514-V521 HydrophobicContact CZ-CB 3.64Å; F514-V521 HydrophobicContact CZ-CG1 3.5Å; F514-V521 VanDerWaalsContact CZ-CG1 3.5Å; F514-V521 HydrophobicContact CZ-CG2 4.11Å; F514-V521 PolarHBondContact N-O 2.92Å; F514-V521 PolarHBondContact O-N 3.35Å; W516-V521 HydrophobicContact CB-CG2 4.36Å; V521-V526 HydrophobicContact CG1-CG2 3.66Å; V521-Y581 HydrophobicContact CG2-CD2 3.96Å; V521-Y581 HydrophobicContact CG2-CE2 4.45Å; V521-A582 HydrophobicContact CG1-CB 4.3Å |
| 522 | S | 79.4 | Confident | 78.2 | Confident | 21 Ų | 21 | 43.1 Ų | 43.1 | 15% | 0.147 | 22% | 0.223 | C | C | . | . | trans | -77.3 | 120.2 | 169.6 | 174.1 | 0 | 0 | 0 | 0 | 109.7 | T524 E525 V526 | S522-T524 VanDerWaalsContact C-N 3.33Å; S522-T524 PolarHBondContact O-N 3.29Å; S522-E525 PolarHBondContact O-N 2.72Å; S522-E525 PolarHBondContact OG-N 2.96Å; S522-V526 WeakPolarHBondContact O-CG2 3.29Å; S522-V526 PolarHBondContact O-N 2.91Å | ||
| 523 | T | 86.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.9 | -39.8 | 179.7 | 60.5 | 0 | 0 | 0 | 0 | 111.3 | D508 D512 F514 E525 V526 E527 V541 K603 | D508-T523 PolarHBondContact OD1-OG1 3.41Å; D508-T523 PolarHBondContact OD2-N 2.77Å; D508-T523 PolarHBondContact OD2-OG1 2.9Å; D512-T523 WeakPolarHBondContact O-CG2 3.48Å; F514-T523 HydrophobicContact CD1-CG2 3.83Å; F514-T523 HydrophobicContact CE1-CG2 3.89Å; T523-E525 PolarHBondContact O-N 2.89Å; T523-V526 PolarHBondContact O-N 2.92Å; T523-E527 WeakPolarHBondContact O-CB 3.36Å; T523-E527 WeakPolarHBondContact O-CG 3.33Å; T523-E527 PolarHBondContact O-N 3.05Å; T523-V541 VanDerWaalsContact CB-O 3.29Å; T523-V541 WeakPolarHBondContact CB-O 3.37Å; T523-V541 HydrophobicContact CG2-CG1 4.32Å; T523-V541 VanDerWaalsContact CG2-O 3.29Å; T523-V541 WeakPolarHBondContact CG2-O 3Å; T523-K603 PolarHBondContact OG1-NZ 3.3Å |
| 524 | T | 78.8 | Confident | 79.6 | Confident | 36 Ų | 36 | 40.9 Ų | 40.9 | 22% | 0.221 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.1 | -39.3 | -179.5 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | R369 R507 S522 G528 | R369-T524 PolarHBondContact NH1-O 3.38Å; R507-T524 VanDerWaalsContact O-CB 3.3Å; R507-T524 WeakPolarHBondContact O-CB 3.46Å; R507-T524 PolarHBondContact O-OG1 2.85Å; S522-T524 VanDerWaalsContact C-N 3.33Å; S522-T524 PolarHBondContact O-N 3.29Å; T524-G528 PolarHBondContact O-N 3.45Å |
| 525 | E | 76.4 | Confident | 79.9 | Confident | 109 Ų | 109 | 46.9 Ų | 46.9 | 51% | 0.509 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.9 | -51 | 176.9 | -178.7 | 173.3 | -173.9 | 0 | 0 | 111.4 | S522 T523 E527 G528 I529 | S522-E525 PolarHBondContact O-N 2.72Å; S522-E525 PolarHBondContact OG-N 2.96Å; T523-E525 PolarHBondContact O-N 2.89Å; E525-E527 VanDerWaalsContact C-N 3.34Å; E525-E527 PolarHBondContact O-N 2.94Å; E525-G528 PolarHBondContact O-N 2.79Å; E525-G528 VanDerWaalsContact O-N 3.11Å; E525-I529 HydrophobicContact CG-CD1 4.16Å; E525-I529 PolarHBondContact O-N 3.28Å; E525-I529 VanDerWaalsContact O-N 3.09Å |
| 526 | V | 84 | Confident | 80.1 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.7 | -45 | 178.9 | -179 | 0 | 0 | 0 | 0 | 110.1 | V521 S522 T523 G528 I529 L530 V541 L578 A582 | V521-V526 HydrophobicContact CG1-CG2 3.66Å; S522-V526 WeakPolarHBondContact O-CG2 3.29Å; S522-V526 PolarHBondContact O-N 2.91Å; T523-V526 PolarHBondContact O-N 2.92Å; V526-G528 VanDerWaalsContact C-N 3.29Å; V526-G528 PolarHBondContact O-N 3.1Å; V526-I529 PolarHBondContact O-N 3.38Å; V526-L530 HydrophobicContact CG1-CD1 3.82Å; V526-L530 HydrophobicContact CG1-CG 4Å; V526-L530 WeakPolarHBondContact O-CB 3.48Å; V526-L530 VanDerWaalsContact O-CG 3.24Å; V526-L530 WeakPolarHBondContact O-CG 3.38Å; V526-L530 PolarHBondContact O-N 2.85Å; V526-V541 HydrophobicContact CB-CG1 4.17Å; V526-V541 HydrophobicContact CB-CG2 4.15Å; V526-V541 HydrophobicContact CG1-CG1 4.08Å; V526-V541 HydrophobicContact CG1-CG2 3.8Å; V526-L578 HydrophobicContact CG1-CD1 3.92Å; V526-L578 HydrophobicContact CG2-CD2 4.34Å; V526-A582 HydrophobicContact CG2-CB 4.06Å |
| 527 | E | 88.1 | Confident | 80.3 | Confident | 9 Ų | 9 | 46 Ų | 46 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.3 | -42.8 | 174 | -76.5 | 169.8 | -175.1 | 0 | 0 | 113 | R369 T523 E525 I529 L530 S531 V539 V541 K603 | R369-E527 IonicContact NH2-OE2 2.71Å; R369-E527 PolarHBondContact NH2-OE2 3.42Å; R369-E527 VanDerWaalsContact NH2-OE2 3.11Å; T523-E527 WeakPolarHBondContact O-CB 3.36Å; T523-E527 WeakPolarHBondContact O-CG 3.33Å; T523-E527 PolarHBondContact O-N 3.05Å; E525-E527 VanDerWaalsContact C-N 3.34Å; E525-E527 PolarHBondContact O-N 2.94Å; E527-I529 VanDerWaalsContact C-N 3.34Å; E527-I529 PolarHBondContact O-N 2.96Å; E527-L530 PolarHBondContact O-N 3.37Å; E527-S531 WeakPolarHBondContact O-CB 3.37Å; E527-S531 PolarHBondContact O-N 3.14Å; E527-V539 WeakPolarHBondContact CG-O 3.45Å; E527-V541 HydrophobicContact CB-CG2 4.39Å; E527-V541 HydrophobicContact CG-CB 3.72Å; E527-V541 HydrophobicContact CG-CG2 3.54Å; E527-V541 PolarHBondContact OE1-N 2.73Å; E527-K603 WeakPolarHBondContact OE1-CE 3.23Å; E527-K603 IonicContact OE1-NZ 2.9Å; E527-K603 PolarHBondContact OE1-NZ 2.92Å |
| 528 | G | 78.9 | Confident | 80.9 | Confident | 16 Ų | 16 | 39.7 Ų | 39.7 | 17% | 0.165 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.6 | -41.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T524 E525 V526 N532 | T524-G528 PolarHBondContact O-N 3.45Å; E525-G528 PolarHBondContact O-N 2.79Å; E525-G528 VanDerWaalsContact O-N 3.11Å; V526-G528 VanDerWaalsContact C-N 3.29Å; V526-G528 PolarHBondContact O-N 3.1Å; G528-N532 WeakPolarHBondContact O-CB 3.31Å; G528-N532 PolarHBondContact O-N 3.14Å; G528-N532 VanDerWaalsContact O-N 3.16Å |
| 529 | I | 82.6 | Confident | 82.3 | Confident | 46 Ų | 46 | 37.7 Ų | 37.7 | 24% | 0.236 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.8 | -48.5 | 176.9 | -66.2 | 167.7 | 0 | 0 | 0 | 110.4 | E525 V526 E527 N532 V533 L578 | E525-I529 HydrophobicContact CG-CD1 4.16Å; E525-I529 PolarHBondContact O-N 3.28Å; E525-I529 VanDerWaalsContact O-N 3.09Å; V526-I529 PolarHBondContact O-N 3.38Å; E527-I529 VanDerWaalsContact C-N 3.34Å; E527-I529 PolarHBondContact O-N 2.96Å; I529-N532 PolarHBondContact O-N 3.37Å; I529-V533 HydrophobicContact CG2-CG2 4.34Å; I529-V533 WeakPolarHBondContact O-CB 3.24Å; I529-V533 VanDerWaalsContact O-CG2 3.29Å; I529-V533 WeakPolarHBondContact O-CG2 3.43Å; I529-V533 PolarHBondContact O-N 2.88Å; I529-L578 HydrophobicContact CB-CD2 4.18Å; I529-L578 HydrophobicContact CD1-CD2 3.48Å; I529-L578 VanDerWaalsContact CD1-CD2 3.48Å; I529-L578 HydrophobicContact CG1-CD2 4.42Å; I529-L578 HydrophobicContact CG2-CD1 4.5Å; I529-L578 HydrophobicContact CG2-CD2 4Å; I529-L578 HydrophobicContact CG2-CG 3.96Å |
| 530 | L | 89.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.5 | -44.6 | -179.3 | -66.5 | -174.2 | 0 | 0 | 0 | 112 | V526 E527 N532 V533 L534 V539 V541 A556 F570 I574 L578 P584 | V526-L530 HydrophobicContact CG1-CD1 3.82Å; V526-L530 HydrophobicContact CG1-CG 4Å; V526-L530 WeakPolarHBondContact O-CB 3.48Å; V526-L530 VanDerWaalsContact O-CG 3.24Å; V526-L530 WeakPolarHBondContact O-CG 3.38Å; V526-L530 PolarHBondContact O-N 2.85Å; E527-L530 PolarHBondContact O-N 3.37Å; L530-N532 VanDerWaalsContact C-N 3.29Å; L530-N532 PolarHBondContact O-N 3.38Å; L530-V533 PolarHBondContact O-N 2.82Å; L530-L534 WeakPolarHBondContact O-CB 3.22Å; L530-L534 WeakPolarHBondContact O-CG 3.18Å; L530-L534 PolarHBondContact O-N 3.43Å; L530-V539 HydrophobicContact CB-CB 4.42Å; L530-V539 HydrophobicContact CB-CG1 3.94Å; L530-V539 HydrophobicContact CB-CG2 4.24Å; L530-V539 HydrophobicContact CD1-CG1 3.88Å; L530-V541 HydrophobicContact CD1-CG2 3.84Å; L530-A556 HydrophobicContact CD1-CB 3.8Å; L530-F570 HydrophobicContact CD1-CZ 4.44Å; L530-F570 HydrophobicContact CD2-CE2 3.87Å; L530-F570 HydrophobicContact CD2-CZ 3.72Å; L530-I574 HydrophobicContact CD2-CB 4.41Å; L530-I574 HydrophobicContact CD2-CG2 3.38Å; L530-L578 HydrophobicContact CD2-CD1 3.77Å; L530-L578 HydrophobicContact CG-CD1 4.36Å; L530-P584 HydrophobicContact CD1-CG 3.78Å |
| 531 | S | 86.2 | Confident | 84.4 | Confident | 8 Ų | 8 | 29.8 Ų | 29.8 | 6% | 0.056 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.9 | -44.6 | 175.9 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | E527 L534 D535 Q536 T537 | E527-S531 WeakPolarHBondContact O-CB 3.37Å; E527-S531 PolarHBondContact O-N 3.14Å; S531-L534 CarbonylContact O-C 3.53Å; S531-L534 PolarHBondContact O-N 3.14Å; S531-D535 PolarHBondContact O-N 3.34Å; S531-Q536 WeakPolarHBondContact O-CA 3.37Å; S531-Q536 PolarHBondContact O-N 3.07Å; S531-T537 WeakPolarHBondContact CB-O 3.47Å; S531-T537 PolarHBondContact O-N 3.12Å; S531-T537 PolarHBondContact OG-O 3.41Å |
| 532 | N | 81.7 | Confident | 85.2 | Confident | 88 Ų | 88 | 29.7 Ų | 29.7 | 47% | 0.471 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.1 | -42.4 | 177.6 | -171.3 | 59.4 | 0 | 0 | 0 | 113.4 | G528 I529 L530 L534 D535 Q536 | G528-N532 WeakPolarHBondContact O-CB 3.31Å; G528-N532 PolarHBondContact O-N 3.14Å; G528-N532 VanDerWaalsContact O-N 3.16Å; I529-N532 PolarHBondContact O-N 3.37Å; L530-N532 VanDerWaalsContact C-N 3.29Å; L530-N532 PolarHBondContact O-N 3.38Å; N532-L534 PolarHBondContact O-N 2.95Å; N532-D535 PolarHBondContact O-N 2.81Å; N532-Q536 PolarHBondContact OD1-NE2 3.42Å; N532-Q536 VanDerWaalsContact OD1-NE2 3.12Å |
| 533 | V | 85.9 | Confident | 85.7 | Confident | 20 Ų | 20 | 29 Ų | 29 | 12% | 0.121 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.9 | -26.5 | 178.6 | 163.1 | 0 | 0 | 0 | 0 | 112.8 | I529 L530 K573 | I529-V533 HydrophobicContact CG2-CG2 4.34Å; I529-V533 WeakPolarHBondContact O-CB 3.24Å; I529-V533 VanDerWaalsContact O-CG2 3.29Å; I529-V533 WeakPolarHBondContact O-CG2 3.43Å; I529-V533 PolarHBondContact O-N 2.88Å; L530-V533 PolarHBondContact O-N 2.82Å; V533-K573 HydrophobicContact CG1-CB 3.39Å; V533-K573 HydrophobicContact CG1-CD 3.67Å; V533-K573 HydrophobicContact CG1-CG 4.16Å; V533-K573 PolarHBondContact O-NZ 2.93Å |
| 534 | L | 88.3 | Confident | 86 | Confident | 20 Ų | 20 | 29.1 Ų | 29.1 | 11% | 0.105 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 32.7 | 179.1 | -65.8 | 173.1 | 0 | 0 | 0 | 111.7 | L530 S531 N532 Q536 T537 V539 I558 F565 F570 | L530-L534 WeakPolarHBondContact O-CB 3.22Å; L530-L534 WeakPolarHBondContact O-CG 3.18Å; L530-L534 PolarHBondContact O-N 3.43Å; S531-L534 CarbonylContact O-C 3.53Å; S531-L534 PolarHBondContact O-N 3.14Å; N532-L534 PolarHBondContact O-N 2.95Å; L534-Q536 PolarHBondContact O-N 2.78Å; L534-T537 WeakPolarHBondContact O-CB 3.29Å; L534-T537 PolarHBondContact O-N 3.48Å; L534-T537 VanDerWaalsContact O-N 3.09Å; L534-T537 PolarHBondContact O-OG1 2.81Å; L534-V539 HydrophobicContact CD1-CG2 4.07Å; L534-I558 HydrophobicContact CD1-CD1 4.01Å; L534-I558 HydrophobicContact CD1-CG1 4.35Å; L534-I558 HydrophobicContact CD1-CG2 3.71Å; L534-F565 HydrophobicContact CD1-CE2 4.12Å; L534-F565 HydrophobicContact CD2-CE2 3.85Å; L534-F565 HydrophobicContact CD2-CZ 4.49Å; L534-F570 HydrophobicContact CD1-CD2 4.12Å; L534-F570 HydrophobicContact CD1-CE2 3.79Å; L534-F570 HydrophobicContact CD2-CD2 3.76Å; L534-F570 HydrophobicContact CD2-CE2 4.27Å; L534-F570 HydrophobicContact CG-CD2 4.11Å; L534-F570 HydrophobicContact CG-CE2 4.11Å |
| 535 | D | 85.9 | Confident | 86.5 | Confident | 136 Ų | 136 | 30.9 Ų | 30.9 | 73% | 0.727 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 45.4 | 172.3 | -55.6 | -54.5 | 0 | 0 | 0 | 113.6 | S531 N532 T537 | S531-D535 PolarHBondContact O-N 3.34Å; N532-D535 PolarHBondContact O-N 2.81Å; D535-T537 VanDerWaalsContact C-N 3.35Å |
| 536 | Q | 81.3 | Confident | 87 | Confident | 36 Ų | 36 | 26 Ų | 26 | 17% | 0.168 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 31.7 | -177.5 | -52.7 | -63.1 | -45.4 | 0 | 0 | 113.9 | R344 S531 N532 L534 | R344-Q536 WeakPolarHBondContact CD-O 3.29Å; R344-Q536 HydrophobicContact CG-CB 3.89Å; R344-Q536 PolarHBondContact NH1-O 3.17Å; S531-Q536 WeakPolarHBondContact O-CA 3.37Å; S531-Q536 PolarHBondContact O-N 3.07Å; N532-Q536 PolarHBondContact OD1-NE2 3.42Å; N532-Q536 VanDerWaalsContact OD1-NE2 3.12Å; L534-Q536 PolarHBondContact O-N 2.78Å |
| 537 | T | 85.7 | Confident | 87.1 | Confident | 41 Ų | 41 | 29 Ų | 29 | 25% | 0.252 | 18% | 0.176 | S | C | . | . | trans | -66.3 | 150.6 | 173.7 | -69.2 | 0 | 0 | 0 | 0 | 112.7 | S531 L534 D535 V539 I558 A559 | S531-T537 WeakPolarHBondContact CB-O 3.47Å; S531-T537 PolarHBondContact O-N 3.12Å; S531-T537 PolarHBondContact OG-O 3.41Å; L534-T537 WeakPolarHBondContact O-CB 3.29Å; L534-T537 PolarHBondContact O-N 3.48Å; L534-T537 VanDerWaalsContact O-N 3.09Å; L534-T537 PolarHBondContact O-OG1 2.81Å; D535-T537 VanDerWaalsContact C-N 3.35Å; T537-V539 HydrophobicContact CG2-CG2 4.45Å; T537-V539 PolarHBondContact O-N 2.81Å; T537-I558 HydrophobicContact CG2-CG2 3.87Å; T537-A559 HydrophobicContact CG2-CB 4.33Å; T537-A559 WeakPolarHBondContact CG2-O 3.49Å | ||
| 538 | D | 85.5 | Confident | 86.5 | Confident | 27 Ų | 27 | 33 Ų | 33 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | trans | -66.1 | 118 | 171.3 | -85.2 | -64.3 | 0 | 0 | 0 | 111.2 | R344 A559 V593 | R344-D538 IonicContact CZ-OD1 2.83Å; R344-D538 IonicContact CZ-OD2 3.17Å; R344-D538 IonicContact NH1-OD1 3.12Å; R344-D538 IonicContact NH1-OD2 3.46Å; R344-D538 PolarHBondContact NH1-OD2 3.21Å; R344-D538 IonicContact NH2-OD1 3.04Å; R344-D538 PolarHBondContact NH2-OD1 2.85Å; R344-D538 IonicContact NH2-OD2 2.66Å; R344-D538 PolarHBondContact NH2-OD2 3.08Å; D538-A559 HydrophobicContact CB-CB 3.69Å; D538-A559 PolarHBondContact O-N 2.86Å; D538-V593 HydrophobicContact CB-CB 4.46Å; D538-V593 HydrophobicContact CB-CG2 4.31Å | ||
| 539 | V | 89.6 | Confident | 86.6 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.024 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 130.3 | -179.3 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | E527 L530 L534 T537 V541 A556 A557 I558 I601 | E527-V539 WeakPolarHBondContact CG-O 3.45Å; L530-V539 HydrophobicContact CB-CB 4.42Å; L530-V539 HydrophobicContact CB-CG1 3.94Å; L530-V539 HydrophobicContact CB-CG2 4.24Å; L530-V539 HydrophobicContact CD1-CG1 3.88Å; L534-V539 HydrophobicContact CD1-CG2 4.07Å; T537-V539 HydrophobicContact CG2-CG2 4.45Å; T537-V539 PolarHBondContact O-N 2.81Å; V539-V541 HydrophobicContact CG1-CG2 4.13Å; V539-A556 HydrophobicContact CG1-CB 4.31Å; V539-A557 CarbonylContact C-O 3.55Å; V539-A557 WeakPolarHBondContact CA-O 3.36Å; V539-I558 HydrophobicContact CG1-CG1 4.26Å; V539-I558 HydrophobicContact CG2-CG1 4.31Å; V539-I558 HydrophobicContact CG2-CG2 4.43Å; V539-I601 VanDerWaalsContact O-CD1 3.24Å; V539-I601 WeakPolarHBondContact O-CD1 3.46Å |
| 540 | A | 91.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 123.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | A556 A557 V593 I601 L606 | A540-A556 CarbonylContact O-C 3.51Å; A540-A556 WeakPolarHBondContact O-CA 3.42Å; A540-A557 HydrophobicContact CB-CB 4.25Å; A540-A557 PolarHBondContact N-O 3.04Å; A540-A557 PolarHBondContact O-N 2.97Å; A540-V593 HydrophobicContact CB-CG1 4Å; A540-I601 HydrophobicContact CB-CD1 4.43Å; A540-I601 HydrophobicContact CB-CG2 3.42Å; A540-I601 VanDerWaalsContact CB-CG2 3.42Å; A540-L606 HydrophobicContact CB-CD1 3.83Å |
| 541 | V | 92 | Very high | 85.8 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 135.5 | 175.3 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | F514 T523 V526 E527 L530 V539 M555 A556 K603 | F514-V541 HydrophobicContact CE1-CG1 4.11Å; T523-V541 VanDerWaalsContact CB-O 3.29Å; T523-V541 WeakPolarHBondContact CB-O 3.37Å; T523-V541 HydrophobicContact CG2-CG1 4.32Å; T523-V541 VanDerWaalsContact CG2-O 3.29Å; T523-V541 WeakPolarHBondContact CG2-O 3Å; V526-V541 HydrophobicContact CB-CG1 4.17Å; V526-V541 HydrophobicContact CB-CG2 4.15Å; V526-V541 HydrophobicContact CG1-CG1 4.08Å; V526-V541 HydrophobicContact CG1-CG2 3.8Å; E527-V541 HydrophobicContact CB-CG2 4.39Å; E527-V541 HydrophobicContact CG-CB 3.72Å; E527-V541 HydrophobicContact CG-CG2 3.54Å; E527-V541 PolarHBondContact OE1-N 2.73Å; L530-V541 HydrophobicContact CD1-CG2 3.84Å; V539-V541 HydrophobicContact CG1-CG2 4.13Å; V541-M555 WeakPolarHBondContact CA-O 2.99Å; V541-A556 HydrophobicContact CG2-CB 4.25Å; V541-K603 WeakPolarHBondContact O-CE 3.41Å; V541-K603 PolarHBondContact O-NZ 3.22Å |
| 542 | Y | 91.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 156 | 179.7 | 54.3 | -82.5 | 0 | 0 | 0 | 111.1 | V544 M555 A557 L606 Q607 | Y542-V544 HydrophobicContact CD2-CG1 3.72Å; Y542-V544 HydrophobicContact CE2-CG1 3.53Å; Y542-M555 HydrophobicContact CD2-CB 4.2Å; Y542-M555 HydrophobicContact CE1-CB 4.5Å; Y542-M555 HydrophobicContact CE1-CG 4.26Å; Y542-M555 HydrophobicContact CE2-CB 3.86Å; Y542-M555 HydrophobicContact CE2-CG 3.85Å; Y542-M555 HydrophobicContact CE2-SD 3.7Å; Y542-M555 PolarHBondContact N-O 2.93Å; Y542-M555 PolarHBondContact O-N 2.99Å; Y542-M555 WeakPolarHBondContact OH-CE 3.33Å; Y542-M555 PolarHBondContact OH-SD 3.42Å; Y542-M555 VanDerWaalsContact OH-SD 3.33Å; Y542-A557 HydrophobicContact CE1-CB 4.06Å; Y542-L606 HydrophobicContact CD1-CB 4.18Å; Y542-L606 HydrophobicContact CD1-CD1 4.49Å; Y542-L606 HydrophobicContact CE1-CB 3.62Å; Y542-L606 HydrophobicContact CE1-CD1 4Å; Y542-L606 HydrophobicContact CE1-CG 4.4Å; Y542-L606 HydrophobicContact CE2-CB 4.12Å; Y542-L606 VanDerWaalsContact CE2-O 3.27Å; Y542-L606 WeakPolarHBondContact CE2-O 3.22Å; Y542-Q607 HydrophobicContact CD2-CB 4.38Å; Y542-Q607 HydrophobicContact CD2-CG 3.73Å; Y542-Q607 HydrophobicContact CG-CG 3.89Å |
| 543 | G | 90.4 | Very high | 86.3 | Confident | 6 Ų | 6 | 42 Ų | 42 | 6% | 0.062 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 135.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | A553 | G543-A553 CarbonylContact C-O 3.48Å; G543-A553 WeakPolarHBondContact CA-O 3.35Å |
| 544 | V | 92.1 | Very high | 86.6 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 138.6 | 172.3 | -63.5 | 0 | 0 | 0 | 0 | 111 | Y542 K552 A553 M555 F586 F611 | Y542-V544 HydrophobicContact CD2-CG1 3.72Å; Y542-V544 HydrophobicContact CE2-CG1 3.53Å; V544-K552 CarbonylContact O-C 3.46Å; V544-K552 VanDerWaalsContact O-CA 3.26Å; V544-K552 WeakPolarHBondContact O-CA 3.2Å; V544-K552 WeakPolarHBondContact O-CB 3.18Å; V544-A553 HydrophobicContact CG2-CB 4.17Å; V544-A553 WeakPolarHBondContact CG2-O 3.29Å; V544-A553 PolarHBondContact N-O 2.75Å; V544-A553 PolarHBondContact O-N 2.73Å; V544-M555 HydrophobicContact CG1-CB 3.95Å; V544-M555 HydrophobicContact CG1-CG 4.48Å; V544-M555 HydrophobicContact CG1-SD 3.72Å; V544-M555 HydrophobicContact CG2-CB 4.21Å; V544-M555 HydrophobicContact CG2-SD 4.45Å; V544-F586 HydrophobicContact CG2-CD2 3.76Å; V544-F586 HydrophobicContact CG2-CE2 4.05Å; V544-F611 HydrophobicContact CB-CD1 4.27Å; V544-F611 HydrophobicContact CG2-CD1 3.9Å |
| 545 | A | 88.9 | Confident | 87 | Confident | 73 Ų | 73 | 40.3 Ų | 40.3 | 60% | 0.603 | 26% | 0.255 | S | S | * | . | trans | -75.5 | 133.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 546 | V | 87.9 | Confident | 87.5 | Confident | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.036 | 22% | 0.22 | C | C | . | . | trans | -119.4 | 123.7 | 173.7 | -175 | 0 | 0 | 0 | 0 | 108.1 | G548 V549 A553 F586 F611 I641 L648 | V546-G548 PolarHBondContact O-N 3.48Å; V546-V549 HydrophobicContact CB-CB 4.3Å; V546-V549 HydrophobicContact CB-CG2 4.39Å; V546-V549 HydrophobicContact CG1-CG2 4.28Å; V546-V549 PolarHBondContact O-N 2.91Å; V546-V549 VanDerWaalsContact O-N 3.12Å; V546-A553 HydrophobicContact CG2-CB 3.83Å; V546-F586 HydrophobicContact CG2-CE2 3.93Å; V546-F586 HydrophobicContact CG2-CZ 4.32Å; V546-F611 HydrophobicContact CG1-CZ 4.38Å; V546-F611 HydrophobicContact CG2-CE1 3.84Å; V546-F611 HydrophobicContact CG2-CZ 4.24Å; V546-I641 HydrophobicContact CG1-CG2 3.8Å; V546-L648 HydrophobicContact CB-CD1 4.38Å; V546-L648 HydrophobicContact CG1-CD1 3.63Å; V546-L648 HydrophobicContact CG1-CD2 4.3Å; V546-L648 HydrophobicContact CG2-CD2 4.07Å | ||
| 547 | P | 85 | Confident | 88.1 | Confident | 68 Ų | 68 | 32.1 Ų | 32.1 | 44% | 0.442 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 138.5 | 179.8 | -29.1 | 38.2 | 0 | 0 | 0 | 112.2 | V549 V642 | P547-V549 PolarHBondContact O-N 2.89Å; P547-V642 HydrophobicContact CG-CG1 4.19Å |
| 548 | G | 76.4 | Confident | 88.5 | Confident | 92 Ų | 92 | 30.2 Ų | 30.2 | 95% | 0.948 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 0.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | V546 | V546-G548 PolarHBondContact O-N 3.48Š|
| 549 | V | 81.1 | Confident | 88.8 | Confident | 49 Ų | 49 | 29.9 Ų | 29.9 | 30% | 0.297 | 20% | 0.202 | S | C | . | . | trans | -114.5 | 129.7 | 176.9 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | W516 V546 P547 L648 | W516-V549 HydrophobicContact CE3-CG1 4.4Å; W516-V549 HydrophobicContact CH2-CG1 3.81Å; W516-V549 HydrophobicContact CZ3-CG1 3.45Å; W516-V549 VanDerWaalsContact CZ3-CG1 3.45Å; V546-V549 HydrophobicContact CB-CB 4.3Å; V546-V549 HydrophobicContact CB-CG2 4.39Å; V546-V549 HydrophobicContact CG1-CG2 4.28Å; V546-V549 PolarHBondContact O-N 2.91Å; V546-V549 VanDerWaalsContact O-N 3.12Å; P547-V549 PolarHBondContact O-N 2.89Å; V549-L648 HydrophobicContact CG2-CD1 3.61Å | ||
| 550 | E | 73.1 | Confident | 88.9 | Confident | 171 Ų | 171 | 30.8 Ų | 30.8 | 80% | 0.799 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -72.6 | 133.7 | 176.9 | -166.2 | -176 | 172 | 0 | 0 | 111.2 | ||
| 551 | G | 81.6 | Confident | 88.6 | Confident | 37 Ų | 37 | 35.2 Ų | 35.2 | 38% | 0.381 | 24% | 0.243 | S | C | . | . | B | Isolated β-bridge | trans | 86.7 | -151.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R515 | R515-G551 CarbonylContact O-C 3.52Å; R515-G551 VanDerWaalsContact O-CA 3.27Å; R515-G551 WeakPolarHBondContact O-CA 3.3Å |
| 552 | K | 86.7 | Confident | 88.2 | Confident | 91 Ų | 91 | 39.8 Ų | 39.8 | 40% | 0.396 | 27% | 0.271 | S | S | . | . | trans | -132.1 | 135.3 | 176.7 | -60 | -177.9 | 179 | 179.8 | 0 | 109.9 | F514 R515 W516 V544 | F514-K552 HydrophobicContact CB-CB 4.03Å; F514-K552 HydrophobicContact CB-CD 4.26Å; F514-K552 HydrophobicContact CD2-CB 4.37Å; F514-K552 WeakPolarHBondContact CD2-O 3.3Å; F514-K552 HydrophobicContact CG-CB 4.46Å; R515-K552 PolarHBondContact O-N 2.63Å; W516-K552 VanDerWaalsContact CE3-C 3.46Å; W516-K552 VanDerWaalsContact CE3-O 3.26Å; V544-K552 CarbonylContact O-C 3.46Å; V544-K552 VanDerWaalsContact O-CA 3.26Å; V544-K552 WeakPolarHBondContact O-CA 3.2Å; V544-K552 WeakPolarHBondContact O-CB 3.18Å | ||
| 553 | A | 90.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 140.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | W516 G543 V544 V546 V585 F586 L648 | W516-A553 VanDerWaalsContact CE3-CA 3.42Å; W516-A553 HydrophobicContact CE3-CB 4.03Å; W516-A553 HydrophobicContact CH2-CB 3.75Å; W516-A553 HydrophobicContact CZ2-CB 4.4Å; W516-A553 VanDerWaalsContact CZ3-CA 3.48Å; W516-A553 HydrophobicContact CZ3-CB 3.54Å; G543-A553 CarbonylContact C-O 3.48Å; G543-A553 WeakPolarHBondContact CA-O 3.35Å; V544-A553 HydrophobicContact CG2-CB 4.17Å; V544-A553 WeakPolarHBondContact CG2-O 3.29Å; V544-A553 PolarHBondContact N-O 2.75Å; V544-A553 PolarHBondContact O-N 2.73Å; V546-A553 HydrophobicContact CG2-CB 3.83Å; A553-V585 HydrophobicContact CB-CB 4.14Å; A553-V585 HydrophobicContact CB-CG1 4.47Å; A553-V585 HydrophobicContact CB-CG2 4.21Å; A553-F586 HydrophobicContact CB-CD2 4.11Å; A553-F586 HydrophobicContact CB-CE2 3.8Å; A553-L648 HydrophobicContact CB-CD2 4.48Å |
| 554 | G | 93.1 | Very high | 87.5 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 133.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P584 V585 F586 | G554-P584 CarbonylContact O-C 3.51Å; G554-V585 PolarHBondContact O-N 3.33Å; G554-F586 PolarHBondContact O-N 2.71Å |
| 555 | M | 96 | Very high | 87.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 136.7 | 173.7 | -174.2 | 161.2 | -176.6 | 0 | 0 | 110.1 | V541 Y542 V544 F586 R588 G610 F611 I620 | V541-M555 WeakPolarHBondContact CA-O 2.99Å; Y542-M555 HydrophobicContact CD2-CB 4.2Å; Y542-M555 HydrophobicContact CE1-CB 4.5Å; Y542-M555 HydrophobicContact CE1-CG 4.26Å; Y542-M555 HydrophobicContact CE2-CB 3.86Å; Y542-M555 HydrophobicContact CE2-CG 3.85Å; Y542-M555 HydrophobicContact CE2-SD 3.7Å; Y542-M555 PolarHBondContact N-O 2.93Å; Y542-M555 PolarHBondContact O-N 2.99Å; Y542-M555 WeakPolarHBondContact OH-CE 3.33Å; Y542-M555 PolarHBondContact OH-SD 3.42Å; Y542-M555 VanDerWaalsContact OH-SD 3.33Å; V544-M555 HydrophobicContact CG1-CB 3.95Å; V544-M555 HydrophobicContact CG1-CG 4.48Å; V544-M555 HydrophobicContact CG1-SD 3.72Å; V544-M555 HydrophobicContact CG2-CB 4.21Å; V544-M555 HydrophobicContact CG2-SD 4.45Å; M555-F586 VanDerWaalsContact CA-O 3.3Å; M555-F586 WeakPolarHBondContact CA-O 3.33Å; M555-F586 HydrophobicContact CB-CB 4.05Å; M555-F586 HydrophobicContact CE-CB 4.4Å; M555-F586 HydrophobicContact CG-CB 3.73Å; M555-F586 HydrophobicContact SD-CB 3.96Å; M555-R588 HydrophobicContact CE-CB 3.49Å; M555-R588 VanDerWaalsContact CE-CB 3.49Å; M555-R588 HydrophobicContact CE-CG 4.48Å; M555-G610 VanDerWaalsContact CE-O 3.23Å; M555-G610 WeakPolarHBondContact CE-O 3.37Å; M555-F611 HydrophobicContact CE-CB 4.41Å; M555-F611 HydrophobicContact SD-CB 4.16Å; M555-I620 HydrophobicContact CE-CG2 4.34Å |
| 556 | A | 96.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 118.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L530 V539 A540 V541 I558 P584 F586 L587 R588 | L530-A556 HydrophobicContact CD1-CB 3.8Å; V539-A556 HydrophobicContact CG1-CB 4.31Å; A540-A556 CarbonylContact O-C 3.51Å; A540-A556 WeakPolarHBondContact O-CA 3.42Å; V541-A556 HydrophobicContact CG2-CB 4.25Å; A556-I558 HydrophobicContact CB-CD1 4.45Å; A556-I558 HydrophobicContact CB-CG1 4.27Å; A556-P584 HydrophobicContact CB-CB 3.88Å; A556-P584 HydrophobicContact CB-CG 3.71Å; A556-F586 PolarHBondContact N-O 2.9Å; A556-L587 HydrophobicContact CB-CD2 4.08Å; A556-L587 CarbonylContact O-C 3.53Å; A556-L587 WeakPolarHBondContact O-CA 3.41Å; A556-R588 PolarHBondContact O-N 2.81Å |
| 557 | A | 94.9 | Very high | 88 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.008 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 122.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109 | V539 A540 Y542 R588 L606 | V539-A557 CarbonylContact C-O 3.55Å; V539-A557 WeakPolarHBondContact CA-O 3.36Å; A540-A557 HydrophobicContact CB-CB 4.25Å; A540-A557 PolarHBondContact N-O 3.04Å; A540-A557 PolarHBondContact O-N 2.97Å; Y542-A557 HydrophobicContact CE1-CB 4.06Å; A557-R588 CarbonylContact C-O 3.49Å; A557-R588 WeakPolarHBondContact CA-O 3.21Å; A557-R588 HydrophobicContact CB-CB 4.27Å; A557-R588 HydrophobicContact CB-CG 4.38Å; A557-L606 HydrophobicContact CB-CD1 3.97Å |
| 558 | I | 94.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.2 | -172.5 | -57.5 | 170.2 | 0 | 0 | 0 | 108.5 | L534 T537 V539 A556 D560 F565 F570 L587 R588 I589 S590 | L534-I558 HydrophobicContact CD1-CD1 4.01Å; L534-I558 HydrophobicContact CD1-CG1 4.35Å; L534-I558 HydrophobicContact CD1-CG2 3.71Å; T537-I558 HydrophobicContact CG2-CG2 3.87Å; V539-I558 HydrophobicContact CG1-CG1 4.26Å; V539-I558 HydrophobicContact CG2-CG1 4.31Å; V539-I558 HydrophobicContact CG2-CG2 4.43Å; A556-I558 HydrophobicContact CB-CD1 4.45Å; A556-I558 HydrophobicContact CB-CG1 4.27Å; I558-D560 PolarHBondContact O-N 2.76Å; I558-F565 HydrophobicContact CB-CE2 4.48Å; I558-F565 HydrophobicContact CD1-CE1 4.37Å; I558-F565 HydrophobicContact CD1-CE2 3.84Å; I558-F565 HydrophobicContact CD1-CZ 3.52Å; I558-F565 HydrophobicContact CG2-CD2 4.21Å; I558-F565 HydrophobicContact CG2-CE2 3.8Å; I558-F570 HydrophobicContact CD1-CE1 4.41Å; I558-F570 HydrophobicContact CD1-CE2 4.08Å; I558-F570 HydrophobicContact CD1-CZ 3.91Å; I558-L587 HydrophobicContact CD1-CD2 4.17Å; I558-R588 PolarHBondContact N-O 3.09Å; I558-I589 HydrophobicContact CB-CD1 3.92Å; I558-I589 HydrophobicContact CD1-CD1 4.13Å; I558-I589 HydrophobicContact CG1-CD1 4.43Å; I558-S590 PolarHBondContact O-N 3.26Å; I558-S590 VanDerWaalsContact O-N 3.12Å |
| 559 | A | 91.9 | Very high | 89.1 | Confident | 20 Ų | 20 | 52 Ų | 52 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 123.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T537 D538 S590 V593 | T537-A559 HydrophobicContact CG2-CB 4.33Å; T537-A559 WeakPolarHBondContact CG2-O 3.49Å; D538-A559 HydrophobicContact CB-CB 3.69Å; D538-A559 PolarHBondContact O-N 2.86Å; A559-S590 CarbonylContact C-O 3.55Å; A559-S590 VanDerWaalsContact CA-O 3.29Å; A559-S590 WeakPolarHBondContact CA-O 3.41Å; A559-V593 HydrophobicContact CB-CG2 4.18Å |
| 560 | D | 91.8 | Very high | 89.7 | Confident | 23 Ų | 23 | 49.8 Ų | 49.8 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | trans | -142.7 | 100.9 | 169 | 177.3 | 21.8 | 0 | 0 | 0 | 110.2 | I558 T562 G563 K564 F565 I589 S590 | I558-D560 PolarHBondContact O-N 2.76Å; D560-T562 PolarHBondContact O-N 3.18Å; D560-T562 WeakPolarHBondContact OD1-CA 3.35Å; D560-T562 WeakPolarHBondContact OD1-CB 3.27Å; D560-T562 PolarHBondContact OD1-N 3.3Å; D560-T562 PolarHBondContact OD1-OG1 2.99Å; D560-G563 PolarHBondContact OD1-N 3.49Å; D560-G563 VanDerWaalsContact OD2-CA 3.31Å; D560-G563 WeakPolarHBondContact OD2-CA 3.27Å; D560-G563 PolarHBondContact OD2-N 3.03Å; D560-G563 VanDerWaalsContact OD2-N 3.14Å; D560-K564 PolarHBondContact OD2-N 2.82Å; D560-F565 HydrophobicContact CB-CB 4.37Å; D560-F565 WeakPolarHBondContact OD2-CB 3.43Å; D560-F565 PolarHBondContact OD2-N 3Å; D560-I589 HydrophobicContact CB-CG2 3.76Å; D560-S590 PolarHBondContact N-O 3.1Å | ||
| 561 | A | 84.1 | Confident | 90.6 | Very high | 92 Ų | 92 | 41.9 Ų | 41.9 | 76% | 0.76 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -75.2 | -13.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 562 | T | 84.5 | Confident | 91 | Very high | 99 Ų | 99 | 45.5 Ų | 45.5 | 61% | 0.607 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -89.7 | -19.5 | -176.3 | 70.9 | 0 | 0 | 0 | 0 | 113 | D560 K564 | D560-T562 PolarHBondContact O-N 3.18Å; D560-T562 WeakPolarHBondContact OD1-CA 3.35Å; D560-T562 WeakPolarHBondContact OD1-CB 3.27Å; D560-T562 PolarHBondContact OD1-N 3.3Å; D560-T562 PolarHBondContact OD1-OG1 2.99Å; T562-K564 PolarHBondContact O-N 3.44Å; T562-K564 PolarHBondContact OG1-N 3.4Å |
| 563 | G | 81.1 | Confident | 91.1 | Very high | 59 Ų | 59 | 44.9 Ų | 44.9 | 61% | 0.608 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 65.8 | 24.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D560 | D560-G563 PolarHBondContact OD1-N 3.49Å; D560-G563 VanDerWaalsContact OD2-CA 3.31Å; D560-G563 WeakPolarHBondContact OD2-CA 3.27Å; D560-G563 PolarHBondContact OD2-N 3.03Å; D560-G563 VanDerWaalsContact OD2-N 3.14Å |
| 564 | K | 85.8 | Confident | 91.1 | Very high | 175 Ų | 175 | 44.9 Ų | 44.9 | 76% | 0.761 | 26% | 0.261 | S | S | * | . | trans | -114.7 | 18.4 | -176.1 | -63.2 | -176 | -179.2 | -178.9 | 0 | 112.8 | D560 T562 D566 | D560-K564 PolarHBondContact OD2-N 2.82Å; T562-K564 PolarHBondContact O-N 3.44Å; T562-K564 PolarHBondContact OG1-N 3.4Å; K564-D566 PolarHBondContact O-N 2.9Å; K564-D566 VanDerWaalsContact O-N 3.1Å | ||
| 565 | F | 91.7 | Very high | 90.8 | Very high | 38 Ų | 38 | 48.8 Ų | 48.8 | 17% | 0.167 | 28% | 0.278 | C | S | . | . | trans | -56.3 | 115.9 | 179.4 | -169.9 | -94.7 | 0 | 0 | 0 | 112 | L534 I558 D560 C567 F570 L587 I589 | L534-F565 HydrophobicContact CD1-CE2 4.12Å; L534-F565 HydrophobicContact CD2-CE2 3.85Å; L534-F565 HydrophobicContact CD2-CZ 4.49Å; I558-F565 HydrophobicContact CB-CE2 4.48Å; I558-F565 HydrophobicContact CD1-CE1 4.37Å; I558-F565 HydrophobicContact CD1-CE2 3.84Å; I558-F565 HydrophobicContact CD1-CZ 3.52Å; I558-F565 HydrophobicContact CG2-CD2 4.21Å; I558-F565 HydrophobicContact CG2-CE2 3.8Å; D560-F565 HydrophobicContact CB-CB 4.37Å; D560-F565 WeakPolarHBondContact OD2-CB 3.43Å; D560-F565 PolarHBondContact OD2-N 3Å; F565-C567 PolarHBondContact O-N 3.2Å; F565-F570 HydrophobicContact CE1-CB 4Å; F565-F570 HydrophobicContact CE1-CD1 4.27Å; F565-F570 HydrophobicContact CE1-CG 4.09Å; F565-F570 HydrophobicContact CE2-CD2 4.39Å; F565-F570 HydrophobicContact CE2-CG 4.5Å; F565-F570 HydrophobicContact CZ-CB 3.7Å; F565-F570 AromaticContact CZ-CD1 3.97Å; F565-F570 HydrophobicContact CZ-CD1 3.97Å; F565-F570 AromaticContact CZ-CD2 3.74Å; F565-F570 HydrophobicContact CZ-CD2 3.74Å; F565-F570 HydrophobicContact CZ-CE2 4.29Å; F565-F570 AromaticContact CZ-CG 3.52Å; F565-F570 HydrophobicContact CZ-CG 3.52Å; F565-L587 HydrophobicContact CE1-CD1 3.99Å; F565-I589 HydrophobicContact CB-CD1 4.4Å; F565-I589 HydrophobicContact CB-CG1 4.39Å; F565-I589 HydrophobicContact CB-CG2 3.97Å; F565-I589 HydrophobicContact CD1-CD1 3.52Å; F565-I589 HydrophobicContact CD1-CG1 3.97Å; F565-I589 HydrophobicContact CD2-CD1 4.12Å; F565-I589 HydrophobicContact CE1-CD1 3.7Å; F565-I589 HydrophobicContact CE2-CD1 4.28Å; F565-I589 HydrophobicContact CG-CD1 3.74Å; F565-I589 HydrophobicContact CG-CG1 4.2Å; F565-I589 HydrophobicContact CG-CG2 4.41Å; F565-I589 HydrophobicContact CZ-CD1 4.08Å | ||
| 566 | D | 92.9 | Very high | 90.2 | Very high | 90 Ų | 90 | 59.1 Ų | 59.1 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | trans | -91.7 | 102.6 | 178.8 | -179.8 | -11.7 | 0 | 0 | 0 | 110.2 | K564 D568 S569 F570 | K564-D566 PolarHBondContact O-N 2.9Å; K564-D566 VanDerWaalsContact O-N 3.1Å; D566-D568 VanDerWaalsContact C-N 3.32Å; D566-D568 PolarHBondContact O-N 2.87Å; D566-D568 PolarHBondContact OD1-N 2.95Å; D566-S569 PolarHBondContact OD1-N 3.31Å; D566-S569 VanDerWaalsContact OD2-CB 3.23Å; D566-S569 WeakPolarHBondContact OD2-CB 3.35Å; D566-F570 VanDerWaalsContact O-CB 3.27Å; D566-F570 WeakPolarHBondContact O-CB 3.46Å; D566-F570 PolarHBondContact O-N 3.08Å | ||
| 567 | C | 93.7 | Very high | 89.5 | Confident | 13 Ų | 13 | 61.7 Ų | 61.7 | 9% | 0.088 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.2 | -34.6 | 179.4 | -79.2 | 0 | 0 | 0 | 0 | 113.9 | F565 L571 Y630 | F565-C567 PolarHBondContact O-N 3.2Å; C567-L571 WeakPolarHBondContact O-CB 3.38Å; C567-L571 PolarHBondContact O-N 2.95Å; C567-Y630 HydrophobicContact CB-CD2 4.42Å |
| 568 | D | 92.3 | Very high | 88.8 | Confident | 87 Ų | 87 | 62 Ų | 62 | 47% | 0.465 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -76.2 | -45.3 | -176.1 | -70.6 | -31.5 | 0 | 0 | 0 | 110.1 | D566 F570 L571 Q572 | D566-D568 VanDerWaalsContact C-N 3.32Å; D566-D568 PolarHBondContact O-N 2.87Å; D566-D568 PolarHBondContact OD1-N 2.95Å; D568-F570 VanDerWaalsContact C-N 3.32Å; D568-F570 PolarHBondContact O-N 2.91Å; D568-L571 PolarHBondContact O-N 3.01Å; D568-Q572 WeakPolarHBondContact O-CG 3.37Å; D568-Q572 PolarHBondContact O-N 2.99Å; D568-Q572 VanDerWaalsContact O-N 3.08Å |
| 569 | S | 92.4 | Very high | 88 | Confident | 43 Ų | 43 | 64.8 Ų | 64.8 | 30% | 0.301 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59 | -44.3 | 171.5 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | D566 Q572 K573 | D566-S569 PolarHBondContact OD1-N 3.31Å; D566-S569 VanDerWaalsContact OD2-CB 3.23Å; D566-S569 WeakPolarHBondContact OD2-CB 3.35Å; S569-Q572 PolarHBondContact O-N 3.47Å; S569-K573 WeakPolarHBondContact O-CG 3.31Å; S569-K573 PolarHBondContact O-N 3.43Å; S569-K573 VanDerWaalsContact O-N 3.14Å |
| 570 | F | 93.4 | Very high | 87.7 | Confident | 3 Ų | 3 | 68.8 Ų | 68.8 | 1% | 0.013 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.3 | -48.9 | 175.7 | 175.3 | -106.9 | 0 | 0 | 0 | 112.1 | L530 L534 I558 F565 D566 D568 Q572 K573 I574 L587 Y630 | L530-F570 HydrophobicContact CD1-CZ 4.44Å; L530-F570 HydrophobicContact CD2-CE2 3.87Å; L530-F570 HydrophobicContact CD2-CZ 3.72Å; L534-F570 HydrophobicContact CD1-CD2 4.12Å; L534-F570 HydrophobicContact CD1-CE2 3.79Å; L534-F570 HydrophobicContact CD2-CD2 3.76Å; L534-F570 HydrophobicContact CD2-CE2 4.27Å; L534-F570 HydrophobicContact CG-CD2 4.11Å; L534-F570 HydrophobicContact CG-CE2 4.11Å; I558-F570 HydrophobicContact CD1-CE1 4.41Å; I558-F570 HydrophobicContact CD1-CE2 4.08Å; I558-F570 HydrophobicContact CD1-CZ 3.91Å; F565-F570 HydrophobicContact CE1-CB 4Å; F565-F570 HydrophobicContact CE1-CD1 4.27Å; F565-F570 HydrophobicContact CE1-CG 4.09Å; F565-F570 HydrophobicContact CE2-CD2 4.39Å; F565-F570 HydrophobicContact CE2-CG 4.5Å; F565-F570 HydrophobicContact CZ-CB 3.7Å; F565-F570 AromaticContact CZ-CD1 3.97Å; F565-F570 HydrophobicContact CZ-CD1 3.97Å; F565-F570 AromaticContact CZ-CD2 3.74Å; F565-F570 HydrophobicContact CZ-CD2 3.74Å; F565-F570 HydrophobicContact CZ-CE2 4.29Å; F565-F570 AromaticContact CZ-CG 3.52Å; F565-F570 HydrophobicContact CZ-CG 3.52Å; D566-F570 VanDerWaalsContact O-CB 3.27Å; D566-F570 WeakPolarHBondContact O-CB 3.46Å; D566-F570 PolarHBondContact O-N 3.08Å; D568-F570 VanDerWaalsContact C-N 3.32Å; D568-F570 PolarHBondContact O-N 2.91Å; F570-Q572 VanDerWaalsContact C-N 3.33Å; F570-Q572 PolarHBondContact O-N 2.94Å; F570-K573 PolarHBondContact O-N 3.48Å; F570-K573 VanDerWaalsContact O-N 3.14Å; F570-I574 HydrophobicContact CD1-CD1 4.3Å; F570-I574 HydrophobicContact CD1-CG2 4.43Å; F570-I574 HydrophobicContact CD2-CG2 3.97Å; F570-I574 HydrophobicContact CE1-CD1 3.78Å; F570-I574 HydrophobicContact CE1-CG1 4.46Å; F570-I574 HydrophobicContact CE1-CG2 3.99Å; F570-I574 HydrophobicContact CE2-CG2 3.52Å; F570-I574 HydrophobicContact CG-CG2 4.43Å; F570-I574 HydrophobicContact CZ-CD1 4.29Å; F570-I574 HydrophobicContact CZ-CG2 3.55Å; F570-I574 PolarHBondContact O-N 2.62Å; F570-L587 HydrophobicContact CD1-CD1 3.8Å; F570-L587 HydrophobicContact CD1-CD2 4.42Å; F570-L587 HydrophobicContact CE1-CD1 3.8Å; F570-L587 HydrophobicContact CE1-CD2 3.58Å; F570-L587 HydrophobicContact CE1-CG 4.35Å; F570-L587 HydrophobicContact CZ-CD2 4.15Å; F570-Y630 AromaticContact CD1-CE2 3.92Å; F570-Y630 HydrophobicContact CD1-CE2 3.92Å; F570-Y630 HydrophobicContact CE1-CE2 4.15Å |
| 571 | L | 92.6 | Very high | 87.1 | Confident | 5 Ų | 5 | 72.2 Ų | 72.2 | 3% | 0.026 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.9 | -45.3 | -179.9 | -178.5 | 56.6 | 0 | 0 | 0 | 111.7 | C567 D568 K573 I574 Q575 L623 A628 Y630 | C567-L571 WeakPolarHBondContact O-CB 3.38Å; C567-L571 PolarHBondContact O-N 2.95Å; D568-L571 PolarHBondContact O-N 3.01Å; L571-K573 VanDerWaalsContact C-N 3.33Å; L571-K573 PolarHBondContact O-N 2.97Å; L571-I574 HydrophobicContact CD1-CD1 4.08Å; L571-I574 HydrophobicContact CD1-CG1 4.18Å; L571-I574 VanDerWaalsContact O-CG1 3.27Å; L571-I574 WeakPolarHBondContact O-CG1 3.3Å; L571-I574 PolarHBondContact O-N 2.8Å; L571-Q575 HydrophobicContact CD1-CG 4.01Å; L571-Q575 HydrophobicContact CG-CG 4.36Å; L571-Q575 WeakPolarHBondContact O-CB 3.27Å; L571-Q575 WeakPolarHBondContact O-CG 3.49Å; L571-Q575 PolarHBondContact O-N 2.92Å; L571-L623 HydrophobicContact CD1-CD1 3.83Å; L571-L623 HydrophobicContact CD2-CD1 3.81Å; L571-A628 WeakPolarHBondContact CD2-O 3.47Å; L571-Y630 HydrophobicContact CB-CD2 4.13Å; L571-Y630 HydrophobicContact CB-CE2 4Å; L571-Y630 HydrophobicContact CD1-CE2 3.88Å; L571-Y630 HydrophobicContact CG-CE2 4.37Å |
| 572 | Q | 89.8 | Confident | 87.1 | Confident | 112 Ų | 112 | 68.2 Ų | 68.2 | 52% | 0.523 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 177 | -70.5 | -179.4 | 15.3 | 0 | 0 | 112.3 | D568 S569 F570 | D568-Q572 WeakPolarHBondContact O-CG 3.37Å; D568-Q572 PolarHBondContact O-N 2.99Å; D568-Q572 VanDerWaalsContact O-N 3.08Å; S569-Q572 PolarHBondContact O-N 3.47Å; F570-Q572 VanDerWaalsContact C-N 3.33Å; F570-Q572 PolarHBondContact O-N 2.94Å |
| 573 | K | 89.6 | Confident | 87.5 | Confident | 79 Ų | 79 | 65.9 Ų | 65.9 | 34% | 0.343 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.7 | -43 | 179.3 | -66.5 | 177.8 | -179.4 | -173.5 | 0 | 112 | V533 S569 F570 L571 R576 S577 | V533-K573 HydrophobicContact CG1-CB 3.39Å; V533-K573 HydrophobicContact CG1-CD 3.67Å; V533-K573 HydrophobicContact CG1-CG 4.16Å; V533-K573 PolarHBondContact O-NZ 2.93Å; S569-K573 WeakPolarHBondContact O-CG 3.31Å; S569-K573 PolarHBondContact O-N 3.43Å; S569-K573 VanDerWaalsContact O-N 3.14Å; F570-K573 PolarHBondContact O-N 3.48Å; F570-K573 VanDerWaalsContact O-N 3.14Å; L571-K573 VanDerWaalsContact C-N 3.33Å; L571-K573 PolarHBondContact O-N 2.97Å; K573-R576 PolarHBondContact O-N 3.08Å; K573-S577 PolarHBondContact O-N 3.1Å; K573-S577 PolarHBondContact O-OG 2.97Å |
| 574 | I | 90.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.5 | -29.7 | -180 | 66.4 | 166.9 | 0 | 0 | 0 | 112.5 | L530 F570 L571 R576 S577 L578 R583 Y630 | L530-I574 HydrophobicContact CD2-CB 4.41Å; L530-I574 HydrophobicContact CD2-CG2 3.38Å; F570-I574 HydrophobicContact CD1-CD1 4.3Å; F570-I574 HydrophobicContact CD1-CG2 4.43Å; F570-I574 HydrophobicContact CD2-CG2 3.97Å; F570-I574 HydrophobicContact CE1-CD1 3.78Å; F570-I574 HydrophobicContact CE1-CG1 4.46Å; F570-I574 HydrophobicContact CE1-CG2 3.99Å; F570-I574 HydrophobicContact CE2-CG2 3.52Å; F570-I574 HydrophobicContact CG-CG2 4.43Å; F570-I574 HydrophobicContact CZ-CD1 4.29Å; F570-I574 HydrophobicContact CZ-CG2 3.55Å; F570-I574 PolarHBondContact O-N 2.62Å; L571-I574 HydrophobicContact CD1-CD1 4.08Å; L571-I574 HydrophobicContact CD1-CG1 4.18Å; L571-I574 VanDerWaalsContact O-CG1 3.27Å; L571-I574 WeakPolarHBondContact O-CG1 3.3Å; L571-I574 PolarHBondContact O-N 2.8Å; I574-R576 PolarHBondContact O-N 2.97Å; I574-S577 PolarHBondContact O-N 3.43Å; I574-L578 HydrophobicContact CB-CD1 4.4Å; I574-L578 PolarHBondContact O-N 3.11Å; I574-R583 HydrophobicContact CD1-CB 4.3Å; I574-R583 HydrophobicContact CD1-CG 4.33Å; I574-Y630 HydrophobicContact CD1-CE2 4.39Å; I574-Y630 WeakPolarHBondContact CD1-OH 3.42Å |
| 575 | Q | 86.6 | Confident | 88.6 | Confident | 84 Ų | 84 | 55.1 Ų | 55.1 | 39% | 0.393 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62 | -30.8 | 176 | -79 | 175.8 | -15.9 | 0 | 0 | 112.4 | L571 R583 | L571-Q575 HydrophobicContact CD1-CG 4.01Å; L571-Q575 HydrophobicContact CG-CG 4.36Å; L571-Q575 WeakPolarHBondContact O-CB 3.27Å; L571-Q575 WeakPolarHBondContact O-CG 3.49Å; L571-Q575 PolarHBondContact O-N 2.92Å; Q575-R583 PolarHBondContact O-NH2 2.98Å |
| 576 | R | 84.2 | Confident | 88.8 | Confident | 217 Ų | 217 | 53.3 Ų | 53.3 | 82% | 0.819 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -81.2 | -22.2 | 175.3 | -63.7 | 176.3 | -175.5 | 171.8 | 3.4 | 113.3 | K573 I574 | K573-R576 PolarHBondContact O-N 3.08Å; I574-R576 PolarHBondContact O-N 2.97Å |
| 577 | S | 80.1 | Confident | 89 | Confident | 54 Ų | 54 | 49 Ų | 49 | 38% | 0.378 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -109.2 | -22.5 | -168.2 | -49.6 | 0 | 0 | 0 | 0 | 113.9 | K573 I574 | K573-S577 PolarHBondContact O-N 3.1Å; K573-S577 PolarHBondContact O-OG 2.97Å; I574-S577 PolarHBondContact O-N 3.43Å |
| 578 | L | 82.1 | Confident | 89.1 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -128.3 | 140.4 | -176.6 | -70.4 | 171.5 | 0 | 0 | 0 | 111.9 | V526 I529 L530 I574 A582 R583 | V526-L578 HydrophobicContact CG1-CD1 3.92Å; V526-L578 HydrophobicContact CG2-CD2 4.34Å; I529-L578 HydrophobicContact CB-CD2 4.18Å; I529-L578 HydrophobicContact CD1-CD2 3.48Å; I529-L578 VanDerWaalsContact CD1-CD2 3.48Å; I529-L578 HydrophobicContact CG1-CD2 4.42Å; I529-L578 HydrophobicContact CG2-CD1 4.5Å; I529-L578 HydrophobicContact CG2-CD2 4Å; I529-L578 HydrophobicContact CG2-CG 3.96Å; L530-L578 HydrophobicContact CD2-CD1 3.77Å; L530-L578 HydrophobicContact CG-CD1 4.36Å; I574-L578 HydrophobicContact CB-CD1 4.4Å; I574-L578 PolarHBondContact O-N 3.11Å; L578-A582 HydrophobicContact CD2-CB 4.32Å; L578-R583 HydrophobicContact CB-CG 3.95Å; L578-R583 PolarHBondContact O-NE 3.06Å; L578-R583 PolarHBondContact O-NH2 2.83Å; L578-R583 VanDerWaalsContact O-NH2 3.1Å |
| 579 | P | 77.2 | Confident | 89.3 | Confident | 58 Ų | 58 | 44.7 Ų | 44.7 | 38% | 0.377 | 22% | 0.219 | S | C | . | . | trans | -66.6 | 155.2 | 169.3 | 30.9 | -35.2 | 0 | 0 | 0 | 110.6 | Y581 A582 R583 | P579-Y581 VanDerWaalsContact C-N 3.25Å; P579-Y581 HydrophobicContact CB-CD1 3.86Å; P579-Y581 HydrophobicContact CB-CE1 3.48Å; P579-Y581 VanDerWaalsContact CB-CE1 3.48Å; P579-Y581 HydrophobicContact CG-CD1 4.06Å; P579-Y581 HydrophobicContact CG-CE1 3.43Å; P579-Y581 VanDerWaalsContact CG-CE1 3.43Å; P579-Y581 HydrophobicContact CG-CE2 4.19Å; P579-Y581 PolarHBondContact O-N 3.36Å; P579-Y581 VanDerWaalsContact O-N 3.11Å; P579-A582 HydrophobicContact CG-CB 3.89Å; P579-A582 PolarHBondContact O-N 3.49Å; P579-R583 PolarHBondContact O-N 3.21Å | ||
| 580 | T | 85.1 | Confident | 89.2 | Confident | 105 Ų | 105 | 43 Ų | 43 | 64% | 0.644 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -52.6 | -39.3 | -172.6 | -53.6 | 0 | 0 | 0 | 0 | 113.7 | A582 R583 | T580-A582 VanDerWaalsContact C-N 3.32Å; T580-A582 PolarHBondContact O-N 2.83Å; T580-R583 PolarHBondContact O-N 2.98Å |
| 581 | Y | 78.6 | Confident | 88.8 | Confident | 94 Ų | 94 | 47.3 Ų | 47.3 | 37% | 0.369 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -72 | -21.1 | -178.6 | 68.4 | -96.2 | 0 | 0 | 0 | 114 | E519 V521 P579 | E519-Y581 HydrophobicContact CB-CD1 4.4Å; E519-Y581 HydrophobicContact CB-CD2 3.56Å; E519-Y581 HydrophobicContact CB-CE2 4.11Å; E519-Y581 HydrophobicContact CB-CG 3.74Å; E519-Y581 HydrophobicContact CG-CD1 4.08Å; E519-Y581 HydrophobicContact CG-CD2 4.14Å; E519-Y581 HydrophobicContact CG-CG 3.83Å; V521-Y581 HydrophobicContact CG2-CD2 3.96Å; V521-Y581 HydrophobicContact CG2-CE2 4.45Å; P579-Y581 VanDerWaalsContact C-N 3.25Å; P579-Y581 HydrophobicContact CB-CD1 3.86Å; P579-Y581 HydrophobicContact CB-CE1 3.48Å; P579-Y581 VanDerWaalsContact CB-CE1 3.48Å; P579-Y581 HydrophobicContact CG-CD1 4.06Å; P579-Y581 HydrophobicContact CG-CE1 3.43Å; P579-Y581 VanDerWaalsContact CG-CE1 3.43Å; P579-Y581 HydrophobicContact CG-CE2 4.19Å; P579-Y581 PolarHBondContact O-N 3.36Å; P579-Y581 VanDerWaalsContact O-N 3.11Å |
| 582 | A | 84.7 | Confident | 88.4 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -98.3 | -5.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | V521 V526 L578 P579 T580 | V521-A582 HydrophobicContact CG1-CB 4.3Å; V526-A582 HydrophobicContact CG2-CB 4.06Å; L578-A582 HydrophobicContact CD2-CB 4.32Å; P579-A582 HydrophobicContact CG-CB 3.89Å; P579-A582 PolarHBondContact O-N 3.49Å; T580-A582 VanDerWaalsContact C-N 3.32Å; T580-A582 PolarHBondContact O-N 2.83Å |
| 583 | R | 92.4 | Very high | 88 | Confident | 50 Ų | 50 | 49 Ų | 49 | 19% | 0.189 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -70.9 | 131.1 | 177 | -67.8 | 171.9 | -164.6 | 168.6 | -0.9 | 109.3 | I574 Q575 L578 P579 T580 V585 | I574-R583 HydrophobicContact CD1-CB 4.3Å; I574-R583 HydrophobicContact CD1-CG 4.33Å; Q575-R583 PolarHBondContact O-NH2 2.98Å; L578-R583 HydrophobicContact CB-CG 3.95Å; L578-R583 PolarHBondContact O-NE 3.06Å; L578-R583 PolarHBondContact O-NH2 2.83Å; L578-R583 VanDerWaalsContact O-NH2 3.1Å; P579-R583 PolarHBondContact O-N 3.21Å; T580-R583 PolarHBondContact O-N 2.98Å; R583-V585 PolarHBondContact O-N 2.93Å |
| 584 | P | 94.7 | Very high | 87.2 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | trans | -58.7 | 124.1 | 175.8 | -22.2 | 32.1 | 0 | 0 | 0 | 110.8 | L530 G554 A556 F586 L587 Y630 | L530-P584 HydrophobicContact CD1-CG 3.78Å; G554-P584 CarbonylContact O-C 3.51Å; A556-P584 HydrophobicContact CB-CB 3.88Å; A556-P584 HydrophobicContact CB-CG 3.71Å; P584-F586 VanDerWaalsContact C-N 3.34Å; P584-F586 WeakPolarHBondContact CB-O 3.17Å; P584-L587 HydrophobicContact CB-CD2 3.89Å; P584-L587 HydrophobicContact CG-CD2 4.43Å; P584-Y630 PolarHBondContact O-OH 3.03Å | ||
| 585 | V | 95.2 | Very high | 86.5 | Confident | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -74.9 | -32.9 | 173.6 | -177.7 | 0 | 0 | 0 | 0 | 110 | W516 A553 G554 R583 F622 L623 L648 | W516-V585 HydrophobicContact CH2-CG2 4.47Å; W516-V585 HydrophobicContact CZ2-CG2 3.73Å; A553-V585 HydrophobicContact CB-CB 4.14Å; A553-V585 HydrophobicContact CB-CG1 4.47Å; A553-V585 HydrophobicContact CB-CG2 4.21Å; G554-V585 PolarHBondContact O-N 3.33Å; R583-V585 PolarHBondContact O-N 2.93Å; V585-F622 HydrophobicContact CG1-CD2 4Å; V585-F622 HydrophobicContact CG1-CE2 3.79Å; V585-L623 WeakPolarHBondContact O-CB 3.47Å; V585-L623 PolarHBondContact O-N 2.88Å; V585-L648 HydrophobicContact CG1-CD2 3.67Å |
| 586 | F | 96.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 145.7 | 175.4 | -60.3 | -81.4 | 0 | 0 | 0 | 111.5 | V544 V546 A553 G554 M555 A556 P584 F611 Y621 F622 I641 L648 | V544-F586 HydrophobicContact CG2-CD2 3.76Å; V544-F586 HydrophobicContact CG2-CE2 4.05Å; V546-F586 HydrophobicContact CG2-CE2 3.93Å; V546-F586 HydrophobicContact CG2-CZ 4.32Å; A553-F586 HydrophobicContact CB-CD2 4.11Å; A553-F586 HydrophobicContact CB-CE2 3.8Å; G554-F586 PolarHBondContact O-N 2.71Å; M555-F586 VanDerWaalsContact CA-O 3.3Å; M555-F586 WeakPolarHBondContact CA-O 3.33Å; M555-F586 HydrophobicContact CB-CB 4.05Å; M555-F586 HydrophobicContact CE-CB 4.4Å; M555-F586 HydrophobicContact CG-CB 3.73Å; M555-F586 HydrophobicContact SD-CB 3.96Å; A556-F586 PolarHBondContact N-O 2.9Å; P584-F586 VanDerWaalsContact C-N 3.34Å; P584-F586 WeakPolarHBondContact CB-O 3.17Å; F586-F611 HydrophobicContact CD1-CB 3.76Å; F586-F611 HydrophobicContact CD1-CD2 4.31Å; F586-F611 HydrophobicContact CD1-CG 4.09Å; F586-F611 HydrophobicContact CD2-CB 4.39Å; F586-F611 HydrophobicContact CD2-CG 4.48Å; F586-F611 HydrophobicContact CE1-CB 3.98Å; F586-F611 HydrophobicContact CE1-CD1 4.48Å; F586-F611 AromaticContact CE1-CD2 3.67Å; F586-F611 HydrophobicContact CE1-CD2 3.67Å; F586-F611 HydrophobicContact CE1-CE2 4.3Å; F586-F611 AromaticContact CE1-CG 3.79Å; F586-F611 HydrophobicContact CE1-CG 3.79Å; F586-F611 HydrophobicContact CE2-CD1 4.13Å; F586-F611 HydrophobicContact CE2-CG 4.21Å; F586-F611 HydrophobicContact CG-CB 3.97Å; F586-F611 HydrophobicContact CG-CG 4.42Å; F586-F611 HydrophobicContact CZ-CB 4.4Å; F586-F611 HydrophobicContact CZ-CD1 4.11Å; F586-F611 AromaticContact CZ-CD2 3.87Å; F586-F611 HydrophobicContact CZ-CD2 3.87Å; F586-F611 HydrophobicContact CZ-CE1 4.38Å; F586-F611 HydrophobicContact CZ-CE2 4.15Å; F586-F611 AromaticContact CZ-CG 3.85Å; F586-F611 HydrophobicContact CZ-CG 3.85Å; F586-F611 HydrophobicContact CZ-CZ 4.4Å; F586-Y621 CarbonylContact C-O 3.57Å; F586-Y621 WeakPolarHBondContact CA-O 3.47Å; F586-F622 HydrophobicContact CD1-CB 4.09Å; F586-F622 HydrophobicContact CD1-CD2 4.09Å; F586-F622 HydrophobicContact CE1-CB 4.02Å; F586-F622 AromaticContact CE1-CD2 3.56Å; F586-F622 HydrophobicContact CE1-CD2 3.56Å; F586-F622 HydrophobicContact CE1-CE2 4.49Å; F586-F622 HydrophobicContact CE1-CG 4.16Å; F586-F622 AromaticContact CZ-CD2 3.96Å; F586-F622 HydrophobicContact CZ-CD2 3.96Å; F586-F622 HydrophobicContact CZ-CE2 4.49Å; F586-I641 HydrophobicContact CE1-CD1 4.07Å; F586-I641 HydrophobicContact CZ-CD1 4.46Å; F586-I641 HydrophobicContact CZ-CG2 4.41Å; F586-L648 HydrophobicContact CE2-CD2 3.86Å; F586-L648 HydrophobicContact CZ-CD2 3.76Å |
| 587 | L | 97 | Very high | 84.3 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 145.5 | 167.2 | -51.8 | 177 | 0 | 0 | 0 | 109.2 | A556 I558 F565 F570 P584 I589 I620 Y621 Y630 | A556-L587 HydrophobicContact CB-CD2 4.08Å; A556-L587 CarbonylContact O-C 3.53Å; A556-L587 WeakPolarHBondContact O-CA 3.41Å; I558-L587 HydrophobicContact CD1-CD2 4.17Å; F565-L587 HydrophobicContact CE1-CD1 3.99Å; F570-L587 HydrophobicContact CD1-CD1 3.8Å; F570-L587 HydrophobicContact CD1-CD2 4.42Å; F570-L587 HydrophobicContact CE1-CD1 3.8Å; F570-L587 HydrophobicContact CE1-CD2 3.58Å; F570-L587 HydrophobicContact CE1-CG 4.35Å; F570-L587 HydrophobicContact CZ-CD2 4.15Å; P584-L587 HydrophobicContact CB-CD2 3.89Å; P584-L587 HydrophobicContact CG-CD2 4.43Å; L587-I589 HydrophobicContact CB-CD1 4.32Å; L587-I620 CarbonylContact O-C 3.52Å; L587-I620 VanDerWaalsContact O-CA 3.28Å; L587-I620 WeakPolarHBondContact O-CA 3.4Å; L587-Y621 HydrophobicContact CB-CD2 4.45Å; L587-Y621 PolarHBondContact N-O 3.48Å; L587-Y621 PolarHBondContact O-N 3.24Å; L587-Y630 HydrophobicContact CD1-CD1 3.72Å; L587-Y630 HydrophobicContact CD1-CD2 3.78Å; L587-Y630 HydrophobicContact CD1-CE1 3.71Å; L587-Y630 HydrophobicContact CD1-CE2 3.76Å; L587-Y630 HydrophobicContact CD1-CG 3.77Å; L587-Y630 HydrophobicContact CD2-CE1 4.08Å; L587-Y630 HydrophobicContact CG-CD1 3.81Å; L587-Y630 HydrophobicContact CG-CE1 3.51Å; L587-Y630 HydrophobicContact CG-CE2 4.39Å; L587-Y630 HydrophobicContact CG-CG 4.37Å |
| 588 | R | 95.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 118.2 | 166.8 | 167.8 | -177.5 | -88.9 | -161.9 | -3.3 | 107.8 | M555 A556 A557 I558 E609 T616 D618 Q619 | M555-R588 HydrophobicContact CE-CB 3.49Å; M555-R588 VanDerWaalsContact CE-CB 3.49Å; M555-R588 HydrophobicContact CE-CG 4.48Å; A556-R588 PolarHBondContact O-N 2.81Å; A557-R588 CarbonylContact C-O 3.49Å; A557-R588 WeakPolarHBondContact CA-O 3.21Å; A557-R588 HydrophobicContact CB-CB 4.27Å; A557-R588 HydrophobicContact CB-CG 4.38Å; I558-R588 PolarHBondContact N-O 3.09Å; R588-E609 IonicContact CZ-OE2 3.62Å; R588-E609 VanDerWaalsContact CZ-OE2 3.22Å; R588-E609 IonicContact NH1-OE2 2.68Å; R588-E609 PolarHBondContact NH1-OE2 2.79Å; R588-E609 IonicContact NH2-OE2 3.6Å; R588-E609 PolarHBondContact NH2-OE2 2.85Å; R588-T616 VanDerWaalsContact NH2-CB 3.29Å; R588-D618 VanDerWaalsContact CD-OD2 3.31Å; R588-D618 WeakPolarHBondContact CD-OD2 3.41Å; R588-D618 HydrophobicContact CG-CB 3.64Å; R588-D618 IonicContact CZ-OD2 3.94Å; R588-D618 IonicContact NE-OD2 3.44Å; R588-D618 IonicContact NH1-OD2 2.71Å; R588-Q619 CarbonylContact C-O 3.54Å; R588-Q619 WeakPolarHBondContact CA-O 3.27Å |
| 589 | I | 95.4 | Very high | 82.8 | Confident | 9 Ų | 9 | 38 Ų | 38 | 5% | 0.046 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 119.1 | 179.4 | -48.6 | -55 | 0 | 0 | 0 | 107.9 | I558 D560 F565 L587 Q619 Y621 | I558-I589 HydrophobicContact CB-CD1 3.92Å; I558-I589 HydrophobicContact CD1-CD1 4.13Å; I558-I589 HydrophobicContact CG1-CD1 4.43Å; D560-I589 HydrophobicContact CB-CG2 3.76Å; F565-I589 HydrophobicContact CB-CD1 4.4Å; F565-I589 HydrophobicContact CB-CG1 4.39Å; F565-I589 HydrophobicContact CB-CG2 3.97Å; F565-I589 HydrophobicContact CD1-CD1 3.52Å; F565-I589 HydrophobicContact CD1-CG1 3.97Å; F565-I589 HydrophobicContact CD2-CD1 4.12Å; F565-I589 HydrophobicContact CE1-CD1 3.7Å; F565-I589 HydrophobicContact CE2-CD1 4.28Å; F565-I589 HydrophobicContact CG-CD1 3.74Å; F565-I589 HydrophobicContact CG-CG1 4.2Å; F565-I589 HydrophobicContact CG-CG2 4.41Å; F565-I589 HydrophobicContact CZ-CD1 4.08Å; L587-I589 HydrophobicContact CB-CD1 4.32Å; I589-Q619 HydrophobicContact CB-CB 4.35Å; I589-Q619 PolarHBondContact N-O 2.86Å; I589-Q619 PolarHBondContact O-N 2.81Å; I589-Q619 VanDerWaalsContact O-N 3.08Å; I589-Y621 HydrophobicContact CG1-CD2 4Å; I589-Y621 HydrophobicContact CG1-CE2 3.7Å |
| 590 | S | 90.8 | Very high | 82.5 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 5% | 0.049 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 154.6 | -178 | 64.9 | 0 | 0 | 0 | 0 | 110.5 | I558 A559 D560 Q592 D618 | I558-S590 PolarHBondContact O-N 3.26Å; I558-S590 VanDerWaalsContact O-N 3.12Å; A559-S590 CarbonylContact C-O 3.55Å; A559-S590 VanDerWaalsContact CA-O 3.29Å; A559-S590 WeakPolarHBondContact CA-O 3.41Å; D560-S590 PolarHBondContact N-O 3.1Å; S590-Q592 PolarHBondContact O-N 3.11Å; S590-Q592 VanDerWaalsContact O-N 3.17Å; S590-Q592 PolarHBondContact OG-O 3.38Å; S590-D618 WeakPolarHBondContact CB-OD1 3.3Å |
| 591 | P | 86.1 | Confident | 82 | Confident | 93 Ų | 93 | 36 Ų | 36 | 60% | 0.604 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -59.2 | -30.4 | 178 | -25.7 | 34.9 | 0 | 0 | 0 | 113.6 | ||
| 592 | Q | 83.3 | Confident | 81.8 | Confident | 143 Ų | 143 | 36 Ų | 36 | 67% | 0.668 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -152.7 | 159.4 | 176.1 | 64.2 | -178 | 3.8 | 0 | 0 | 110.4 | S590 | S590-Q592 PolarHBondContact O-N 3.11Å; S590-Q592 VanDerWaalsContact O-N 3.17Å; S590-Q592 PolarHBondContact OG-O 3.38Å |
| 593 | V | 81.8 | Confident | 81.6 | Confident | 11 Ų | 11 | 36.6 Ų | 36.6 | 7% | 0.067 | 19% | 0.191 | C | C | . | . | trans | -99 | 136.8 | 171 | 177.1 | 0 | 0 | 0 | 0 | 109.1 | D538 A540 A559 T595 I601 | D538-V593 HydrophobicContact CB-CB 4.46Å; D538-V593 HydrophobicContact CB-CG2 4.31Å; A540-V593 HydrophobicContact CB-CG1 4Å; A559-V593 HydrophobicContact CB-CG2 4.18Å; V593-T595 PolarHBondContact O-N 2.83Å; V593-I601 HydrophobicContact CG1-CB 4.49Å; V593-I601 HydrophobicContact CG1-CD1 4.39Å; V593-I601 HydrophobicContact CG1-CG1 4.14Å; V593-I601 HydrophobicContact CG1-CG2 3.78Å | ||
| 594 | D | 73.2 | Confident | 81.1 | Confident | 49 Ų | 49 | 39.2 Ų | 39.2 | 26% | 0.262 | 21% | 0.213 | S | C | . | . | trans | -64.7 | 131.1 | -179.6 | -64.5 | -31.2 | 0 | 0 | 0 | 111.7 | I601 Q602 R605 | D594-I601 CarbonylContact O-C 3.49Å; D594-I601 WeakPolarHBondContact O-CA 3.04Å; D594-Q602 HydrophobicContact CB-CB 4.3Å; D594-Q602 PolarHBondContact O-N 2.96Å; D594-R605 IonicContact OD1-NH2 3.15Å; D594-R605 IonicContact OD2-CZ 2.81Å; D594-R605 IonicContact OD2-NE 3.6Å; D594-R605 PolarHBondContact OD2-NE 2.81Å; D594-R605 IonicContact OD2-NH2 3.33Å; D594-R605 PolarHBondContact OD2-NH2 2.82Å | ||
| 595 | T | 76 | Confident | 80.5 | Confident | 45 Ų | 45 | 43.1 Ų | 43.1 | 28% | 0.276 | 23% | 0.228 | S | C | . | . | B | Isolated β-bridge | trans | -127.4 | 160.5 | 178.4 | 59.6 | 0 | 0 | 0 | 0 | 113 | V593 K600 I601 Q602 | V593-T595 PolarHBondContact O-N 2.83Å; T595-K600 CarbonylContact C-O 3.58Å; T595-K600 WeakPolarHBondContact CA-O 3.33Å; T595-I601 HydrophobicContact CG2-CG1 4.25Å; T595-Q602 PolarHBondContact O-NE2 3.43Å |
| 596 | T | 69.3 | Low | 80.2 | Confident | 42 Ų | 42 | 43 Ų | 43 | 26% | 0.258 | 23% | 0.227 | S | C | . | . | trans | -78.5 | 173.4 | 171.2 | 66.9 | 0 | 0 | 0 | 0 | 111.2 | T598 F599 K600 Q602 | T596-T598 PolarHBondContact O-N 3.33Å; T596-T598 VanDerWaalsContact O-N 3.1Å; T596-T598 PolarHBondContact OG1-N 2.95Å; T596-T598 PolarHBondContact OG1-OG1 2.97Å; T596-T598 VanDerWaalsContact OG1-OG1 3.09Å; T596-F599 WeakPolarHBondContact O-CA 3.33Å; T596-F599 PolarHBondContact O-N 2.85Å; T596-K600 HydrophobicContact CG2-CB 4.21Å; T596-K600 PolarHBondContact N-O 3.17Å; T596-K600 WeakPolarHBondContact OG1-CB 3.06Å; T596-K600 PolarHBondContact OG1-N 2.88Å; T596-K600 VanDerWaalsContact OG1-N 3.07Å; T596-Q602 HydrophobicContact CG2-CG 3.78Å | ||
| 597 | G | 54.2 | Low | 79.7 | Confident | 20 Ų | 20 | 45.9 Ų | 45.9 | 21% | 0.206 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -9.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P292 Y294 | P292-G597 VanDerWaalsContact CG-O 3.23Å; P292-G597 WeakPolarHBondContact CG-O 3.33Å; Y294-G597 WeakPolarHBondContact OH-CA 3.17Å |
| 598 | T | 62.1 | Low | 79.2 | Confident | 13 Ų | 13 | 55.2 Ų | 55.2 | 8% | 0.08 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 32.1 | 166.2 | 51.1 | 0 | 0 | 0 | 0 | 111 | P292 H295 I339 T596 K600 | P292-T598 HydrophobicContact CG-CG2 4.23Å; H295-T598 HydrophobicContact CB-CG2 4.3Å; I339-T598 WeakPolarHBondContact CD1-O 3.37Å; T596-T598 PolarHBondContact O-N 3.33Å; T596-T598 VanDerWaalsContact O-N 3.1Å; T596-T598 PolarHBondContact OG1-N 2.95Å; T596-T598 PolarHBondContact OG1-OG1 2.97Å; T596-T598 VanDerWaalsContact OG1-OG1 3.09Å; T598-K600 PolarHBondContact O-N 3.33Å |
| 599 | F | 69.5 | Low | 79 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 19% | 0.189 | 28% | 0.28 | C | S | . | . | trans | 47.4 | 26.9 | 176.1 | -51.8 | -89.9 | 0 | 0 | 0 | 115.4 | F319 I339 E341 I342 Y345 T596 | F319-F599 HydrophobicContact CB-CE2 3.88Å; F319-F599 HydrophobicContact CB-CZ 3.81Å; F319-F599 HydrophobicContact CD1-CE1 4.31Å; F319-F599 HydrophobicContact CD1-CE2 4.13Å; F319-F599 AromaticContact CD1-CZ 3.75Å; F319-F599 HydrophobicContact CD1-CZ 3.75Å; F319-F599 HydrophobicContact CG-CE2 4.24Å; F319-F599 HydrophobicContact CG-CZ 4.16Å; I339-F599 HydrophobicContact CD1-CB 3.61Å; I339-F599 HydrophobicContact CD1-CD2 3.64Å; I339-F599 HydrophobicContact CD1-CG 4.07Å; E341-F599 HydrophobicContact CB-CB 4.15Å; E341-F599 WeakPolarHBondContact CG-O 3.28Å; I342-F599 HydrophobicContact CG1-CD2 4.42Å; Y345-F599 HydrophobicContact CE2-CB 4.16Å; Y345-F599 AromaticContact CE2-CD1 3.7Å; Y345-F599 HydrophobicContact CE2-CD1 3.7Å; Y345-F599 HydrophobicContact CE2-CE1 4.36Å; Y345-F599 HydrophobicContact CE2-CG 4.07Å; T596-F599 WeakPolarHBondContact O-CA 3.33Å; T596-F599 PolarHBondContact O-N 2.85Å | ||
| 600 | K | 70.7 | Confident | 78.8 | Confident | 88 Ų | 88 | 56.3 Ų | 56.3 | 38% | 0.383 | 28% | 0.283 | S | S | . | . | trans | -84.6 | 130.9 | 174.4 | -63.3 | -170.1 | 177.2 | -174.2 | 0 | 109.5 | T595 T596 T598 Q602 | T595-K600 CarbonylContact C-O 3.58Å; T595-K600 WeakPolarHBondContact CA-O 3.33Å; T596-K600 HydrophobicContact CG2-CB 4.21Å; T596-K600 PolarHBondContact N-O 3.17Å; T596-K600 WeakPolarHBondContact OG1-CB 3.06Å; T596-K600 PolarHBondContact OG1-N 2.88Å; T596-K600 VanDerWaalsContact OG1-N 3.07Å; T598-K600 PolarHBondContact O-N 3.33Å; K600-Q602 PolarHBondContact O-N 2.82Å | ||
| 601 | I | 74.8 | Confident | 79 | Confident | 32 Ų | 32 | 56.4 Ų | 56.4 | 16% | 0.164 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -57 | 132.2 | 175.8 | -68.4 | 175.5 | 0 | 0 | 0 | 111.1 | V539 A540 V593 D594 T595 K603 | V539-I601 VanDerWaalsContact O-CD1 3.24Å; V539-I601 WeakPolarHBondContact O-CD1 3.46Å; A540-I601 HydrophobicContact CB-CD1 4.43Å; A540-I601 HydrophobicContact CB-CG2 3.42Å; A540-I601 VanDerWaalsContact CB-CG2 3.42Å; V593-I601 HydrophobicContact CG1-CB 4.49Å; V593-I601 HydrophobicContact CG1-CD1 4.39Å; V593-I601 HydrophobicContact CG1-CG1 4.14Å; V593-I601 HydrophobicContact CG1-CG2 3.78Å; D594-I601 CarbonylContact O-C 3.49Å; D594-I601 WeakPolarHBondContact O-CA 3.04Å; T595-I601 HydrophobicContact CG2-CG1 4.25Å; I601-K603 HydrophobicContact CG2-CG 4.15Å |
| 602 | Q | 73.2 | Confident | 79.4 | Confident | 93 Ų | 93 | 52.7 Ų | 52.7 | 44% | 0.435 | 26% | 0.257 | S | S | . | . | trans | -98.5 | 103.3 | 178.3 | -61.8 | -169.2 | 28.3 | 0 | 0 | 111.1 | D594 T595 T596 K600 | D594-Q602 HydrophobicContact CB-CB 4.3Å; D594-Q602 PolarHBondContact O-N 2.96Å; T595-Q602 PolarHBondContact O-NE2 3.43Å; T596-Q602 HydrophobicContact CG2-CG 3.78Å; K600-Q602 PolarHBondContact O-N 2.82Å | ||
| 603 | K | 81.9 | Confident | 79.8 | Confident | 22 Ų | 22 | 47.3 Ų | 47.3 | 10% | 0.096 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -85.6 | -21.3 | -175.2 | -58.4 | -175.3 | -176.7 | -168.4 | 0 | 114.9 | T523 E527 V541 I601 R605 L606 Q607 | T523-K603 PolarHBondContact OG1-NZ 3.3Å; E527-K603 WeakPolarHBondContact OE1-CE 3.23Å; E527-K603 IonicContact OE1-NZ 2.9Å; E527-K603 PolarHBondContact OE1-NZ 2.92Å; V541-K603 WeakPolarHBondContact O-CE 3.41Å; V541-K603 PolarHBondContact O-NZ 3.22Å; I601-K603 HydrophobicContact CG2-CG 4.15Å; K603-R605 PolarHBondContact O-N 3.14Å; K603-L606 WeakPolarHBondContact O-CB 3.44Å; K603-L606 PolarHBondContact O-N 3.47Å; K603-L606 VanDerWaalsContact O-N 3.17Å; K603-Q607 HydrophobicContact CB-CG 4.44Å; K603-Q607 WeakPolarHBondContact O-CB 3.28Å; K603-Q607 WeakPolarHBondContact O-CG 3.2Å; K603-Q607 PolarHBondContact O-N 2.76Å |
| 604 | T | 80.5 | Confident | 80.4 | Confident | 105 Ų | 105 | 52.7 Ų | 52.7 | 64% | 0.644 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.5 | -41.8 | -169 | -50.5 | 0 | 0 | 0 | 0 | 113.2 | R608 | T604-R608 WeakPolarHBondContact O-CB 3.22Å; T604-R608 PolarHBondContact O-N 3.38Å; T604-R608 VanDerWaalsContact O-N 3.11Å |
| 605 | R | 83 | Confident | 81.3 | Confident | 84 Ų | 84 | 55 Ų | 55 | 32% | 0.317 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.9 | -50 | 175 | -177.5 | -177.7 | 74.5 | 91.2 | -7.2 | 110.8 | D594 K603 Q607 R608 E609 | D594-R605 IonicContact OD1-NH2 3.15Å; D594-R605 IonicContact OD2-CZ 2.81Å; D594-R605 IonicContact OD2-NE 3.6Å; D594-R605 PolarHBondContact OD2-NE 2.81Å; D594-R605 IonicContact OD2-NH2 3.33Å; D594-R605 PolarHBondContact OD2-NH2 2.82Å; K603-R605 PolarHBondContact O-N 3.14Å; R605-Q607 VanDerWaalsContact C-N 3.32Å; R605-Q607 PolarHBondContact O-N 2.87Å; R605-R608 PolarHBondContact O-N 3.06Å; R605-R608 VanDerWaalsContact O-N 3.1Å; R605-E609 VanDerWaalsContact CD-OE1 3.3Å; R605-E609 WeakPolarHBondContact CD-OE1 3.23Å; R605-E609 HydrophobicContact CG-CG 4.44Å; R605-E609 WeakPolarHBondContact CG-OE1 3.38Å; R605-E609 IonicContact CZ-OE1 3.08Å; R605-E609 IonicContact CZ-OE2 2.71Å; R605-E609 IonicContact NE-OE1 3.81Å; R605-E609 IonicContact NH1-OE1 3.18Å; R605-E609 PolarHBondContact NH1-OE1 2.84Å; R605-E609 IonicContact NH1-OE2 3.35Å; R605-E609 PolarHBondContact NH1-OE2 2.83Å; R605-E609 PolarHBondContact O-N 2.81Å |
| 606 | L | 88.3 | Confident | 81.9 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.7 | -43.3 | -179.7 | -56.6 | 178 | 0 | 0 | 0 | 111.9 | A540 Y542 A557 K603 G610 | A540-L606 HydrophobicContact CB-CD1 3.83Å; Y542-L606 HydrophobicContact CD1-CB 4.18Å; Y542-L606 HydrophobicContact CD1-CD1 4.49Å; Y542-L606 HydrophobicContact CE1-CB 3.62Å; Y542-L606 HydrophobicContact CE1-CD1 4Å; Y542-L606 HydrophobicContact CE1-CG 4.4Å; Y542-L606 HydrophobicContact CE2-CB 4.12Å; Y542-L606 VanDerWaalsContact CE2-O 3.27Å; Y542-L606 WeakPolarHBondContact CE2-O 3.22Å; A557-L606 HydrophobicContact CB-CD1 3.97Å; K603-L606 WeakPolarHBondContact O-CB 3.44Å; K603-L606 PolarHBondContact O-N 3.47Å; K603-L606 VanDerWaalsContact O-N 3.17Å; L606-G610 PolarHBondContact O-N 3.06Å |
| 607 | Q | 87.7 | Confident | 82.8 | Confident | 61 Ų | 61 | 59 Ų | 59 | 29% | 0.285 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 175.9 | -76 | 170.6 | -18.4 | 0 | 0 | 112.8 | Y542 K603 R605 | Y542-Q607 HydrophobicContact CD2-CB 4.38Å; Y542-Q607 HydrophobicContact CD2-CG 3.73Å; Y542-Q607 HydrophobicContact CG-CG 3.89Å; K603-Q607 HydrophobicContact CB-CG 4.44Å; K603-Q607 WeakPolarHBondContact O-CB 3.28Å; K603-Q607 WeakPolarHBondContact O-CG 3.2Å; K603-Q607 PolarHBondContact O-N 2.76Å; R605-Q607 VanDerWaalsContact C-N 3.32Å; R605-Q607 PolarHBondContact O-N 2.87Å |
| 608 | R | 86.6 | Confident | 84.6 | Confident | 196 Ų | 196 | 59.2 Ų | 59.2 | 74% | 0.74 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -70.5 | -42.6 | -179.4 | -176.6 | -174.6 | 66.3 | -171.7 | -0 | 112 | T604 R605 G610 | T604-R608 WeakPolarHBondContact O-CB 3.22Å; T604-R608 PolarHBondContact O-N 3.38Å; T604-R608 VanDerWaalsContact O-N 3.11Å; R605-R608 PolarHBondContact O-N 3.06Å; R605-R608 VanDerWaalsContact O-N 3.1Å; R608-G610 VanDerWaalsContact C-N 3.34Å |
| 609 | E | 90.1 | Very high | 86.1 | Confident | 23 Ų | 23 | 63.6 Ų | 63.6 | 11% | 0.107 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.4 | -31.1 | 177.4 | -67.7 | 169.2 | -167.3 | 0 | 0 | 111.7 | R588 R605 F611 D612 L615 | R588-E609 IonicContact CZ-OE2 3.62Å; R588-E609 VanDerWaalsContact CZ-OE2 3.22Å; R588-E609 IonicContact NH1-OE2 2.68Å; R588-E609 PolarHBondContact NH1-OE2 2.79Å; R588-E609 IonicContact NH2-OE2 3.6Å; R588-E609 PolarHBondContact NH2-OE2 2.85Å; R605-E609 VanDerWaalsContact CD-OE1 3.3Å; R605-E609 WeakPolarHBondContact CD-OE1 3.23Å; R605-E609 HydrophobicContact CG-CG 4.44Å; R605-E609 WeakPolarHBondContact CG-OE1 3.38Å; R605-E609 IonicContact CZ-OE1 3.08Å; R605-E609 IonicContact CZ-OE2 2.71Å; R605-E609 IonicContact NE-OE1 3.81Å; R605-E609 IonicContact NH1-OE1 3.18Å; R605-E609 PolarHBondContact NH1-OE1 2.84Å; R605-E609 IonicContact NH1-OE2 3.35Å; R605-E609 PolarHBondContact NH1-OE2 2.83Å; R605-E609 PolarHBondContact O-N 2.81Å; E609-F611 PolarHBondContact O-N 3.49Å; E609-D612 PolarHBondContact O-N 3.29Å; E609-L615 HydrophobicContact CB-CB 4.23Å; E609-L615 HydrophobicContact CG-CB 4.21Å |
| 610 | G | 92.2 | Very high | 87.4 | Confident | 9 Ų | 9 | 61.9 Ų | 61.9 | 9% | 0.093 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | -136 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M555 L606 R608 | M555-G610 VanDerWaalsContact CE-O 3.23Å; M555-G610 WeakPolarHBondContact CE-O 3.37Å; L606-G610 PolarHBondContact O-N 3.06Å; R608-G610 VanDerWaalsContact C-N 3.34Å |
| 611 | F | 94.1 | Very high | 88.6 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 4% | 0.039 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 14.9 | -179.6 | 67.9 | -84.1 | 0 | 0 | 0 | 113.1 | V544 V546 M555 F586 E609 P613 I620 Y638 I641 V642 | V544-F611 HydrophobicContact CB-CD1 4.27Å; V544-F611 HydrophobicContact CG2-CD1 3.9Å; V546-F611 HydrophobicContact CG1-CZ 4.38Å; V546-F611 HydrophobicContact CG2-CE1 3.84Å; V546-F611 HydrophobicContact CG2-CZ 4.24Å; M555-F611 HydrophobicContact CE-CB 4.41Å; M555-F611 HydrophobicContact SD-CB 4.16Å; F586-F611 HydrophobicContact CD1-CB 3.76Å; F586-F611 HydrophobicContact CD1-CD2 4.31Å; F586-F611 HydrophobicContact CD1-CG 4.09Å; F586-F611 HydrophobicContact CD2-CB 4.39Å; F586-F611 HydrophobicContact CD2-CG 4.48Å; F586-F611 HydrophobicContact CE1-CB 3.98Å; F586-F611 HydrophobicContact CE1-CD1 4.48Å; F586-F611 AromaticContact CE1-CD2 3.67Å; F586-F611 HydrophobicContact CE1-CD2 3.67Å; F586-F611 HydrophobicContact CE1-CE2 4.3Å; F586-F611 AromaticContact CE1-CG 3.79Å; F586-F611 HydrophobicContact CE1-CG 3.79Å; F586-F611 HydrophobicContact CE2-CD1 4.13Å; F586-F611 HydrophobicContact CE2-CG 4.21Å; F586-F611 HydrophobicContact CG-CB 3.97Å; F586-F611 HydrophobicContact CG-CG 4.42Å; F586-F611 HydrophobicContact CZ-CB 4.4Å; F586-F611 HydrophobicContact CZ-CD1 4.11Å; F586-F611 AromaticContact CZ-CD2 3.87Å; F586-F611 HydrophobicContact CZ-CD2 3.87Å; F586-F611 HydrophobicContact CZ-CE1 4.38Å; F586-F611 HydrophobicContact CZ-CE2 4.15Å; F586-F611 AromaticContact CZ-CG 3.85Å; F586-F611 HydrophobicContact CZ-CG 3.85Å; F586-F611 HydrophobicContact CZ-CZ 4.4Å; E609-F611 PolarHBondContact O-N 3.49Å; F611-P613 WeakPolarHBondContact O-CD 3.4Å; F611-I620 HydrophobicContact CB-CG2 4.29Å; F611-Y638 AromaticContact CD2-CD2 3.62Å; F611-Y638 HydrophobicContact CD2-CD2 3.62Å; F611-Y638 AromaticContact CD2-CE2 3.82Å; F611-Y638 HydrophobicContact CD2-CE2 3.82Å; F611-Y638 AromaticContact CE2-CD2 3.48Å; F611-Y638 HydrophobicContact CE2-CD2 3.48Å; F611-Y638 VanDerWaalsContact CE2-CD2 3.48Å; F611-Y638 AromaticContact CE2-CE2 3.51Å; F611-Y638 HydrophobicContact CE2-CE2 3.51Å; F611-Y638 HydrophobicContact CZ-CD2 4.42Å; F611-Y638 HydrophobicContact CZ-CE2 4.03Å; F611-I641 HydrophobicContact CE2-CB 4.36Å; F611-I641 HydrophobicContact CE2-CG2 3.84Å; F611-I641 HydrophobicContact CZ-CG2 4.05Å; F611-V642 HydrophobicContact CE2-CG2 4.45Å; F611-V642 HydrophobicContact CZ-CG2 4.28Å |
| 612 | D | 94.2 | Very high | 89.7 | Confident | 15 Ų | 15 | 58 Ų | 58 | 8% | 0.08 | 28% | 0.28 | C | S | . | . | trans | -76.9 | 113.8 | 178.1 | -170 | -24.5 | 0 | 0 | 0 | 110.5 | E609 R614 L615 Y638 | E609-D612 PolarHBondContact O-N 3.29Å; D612-R614 PolarHBondContact O-N 2.93Å; D612-R614 VanDerWaalsContact OD1-CB 3.29Å; D612-R614 WeakPolarHBondContact OD1-CB 3.44Å; D612-R614 WeakPolarHBondContact OD1-CG 3.38Å; D612-R614 IonicContact OD1-CZ 2.66Å; D612-R614 PolarHBondContact OD1-N 2.85Å; D612-R614 IonicContact OD1-NE 2.72Å; D612-R614 PolarHBondContact OD1-NE 3.45Å; D612-R614 IonicContact OD1-NH2 3.04Å; D612-R614 IonicContact OD2-CZ 3.55Å; D612-R614 IonicContact OD2-NE 3.89Å; D612-R614 PolarHBondContact OD2-NE 3.28Å; D612-R614 IonicContact OD2-NH2 2.83Å; D612-R614 PolarHBondContact OD2-NH2 3.16Å; D612-L615 HydrophobicContact CB-CD1 4Å; D612-L615 HydrophobicContact CB-CG 4.06Å; D612-L615 PolarHBondContact O-N 2.81Å; D612-Y638 HydrophobicContact CB-CD2 4.31Å; D612-Y638 HydrophobicContact CB-CE2 3.66Å; D612-Y638 PolarHBondContact OD2-OH 3.43Å | ||
| 613 | P | 93.1 | Very high | 90.6 | Very high | 31 Ų | 31 | 55 Ų | 55 | 20% | 0.201 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -68.1 | -13.9 | -177.3 | 29.6 | -35.4 | 0 | 0 | 0 | 113 | F611 L615 T616 V633 | F611-P613 WeakPolarHBondContact O-CD 3.4Å; P613-L615 VanDerWaalsContact C-N 3.35Å; P613-T616 VanDerWaalsContact O-O 3.07Å; P613-V633 WeakPolarHBondContact CB-O 3.49Å; P613-V633 HydrophobicContact CG-CG1 4.31Å |
| 614 | R | 93.6 | Very high | 91 | Very high | 124 Ų | 124 | 55.5 Ų | 55.5 | 47% | 0.468 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -81.6 | -16.4 | -179.9 | -57.9 | 165.9 | -63.9 | -172.4 | 6.4 | 113 | D612 E635 | D612-R614 PolarHBondContact O-N 2.93Å; D612-R614 VanDerWaalsContact OD1-CB 3.29Å; D612-R614 WeakPolarHBondContact OD1-CB 3.44Å; D612-R614 WeakPolarHBondContact OD1-CG 3.38Å; D612-R614 IonicContact OD1-CZ 2.66Å; D612-R614 PolarHBondContact OD1-N 2.85Å; D612-R614 IonicContact OD1-NE 2.72Å; D612-R614 PolarHBondContact OD1-NE 3.45Å; D612-R614 IonicContact OD1-NH2 3.04Å; D612-R614 IonicContact OD2-CZ 3.55Å; D612-R614 IonicContact OD2-NE 3.89Å; D612-R614 PolarHBondContact OD2-NE 3.28Å; D612-R614 IonicContact OD2-NH2 2.83Å; D612-R614 PolarHBondContact OD2-NH2 3.16Å; R614-E635 HydrophobicContact CG-CG 4Å |
| 615 | L | 91.6 | Very high | 91 | Very high | 96 Ų | 96 | 53.4 Ų | 53.4 | 50% | 0.503 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -97.3 | 1.2 | -175.5 | -61.1 | -177.2 | 0 | 0 | 0 | 113.4 | E609 D612 P613 | E609-L615 HydrophobicContact CB-CB 4.23Å; E609-L615 HydrophobicContact CG-CB 4.21Å; D612-L615 HydrophobicContact CB-CD1 4Å; D612-L615 HydrophobicContact CB-CG 4.06Å; D612-L615 PolarHBondContact O-N 2.81Å; P613-L615 VanDerWaalsContact C-N 3.35Å |
| 616 | T | 89.5 | Confident | 90.9 | Very high | 26 Ų | 26 | 59.8 Ų | 59.8 | 16% | 0.16 | 29% | 0.294 | C | S | . | . | trans | -150.6 | 161 | -179.8 | -172.3 | 0 | 0 | 0 | 0 | 111.3 | R588 P613 D618 I620 | R588-T616 VanDerWaalsContact NH2-CB 3.29Å; P613-T616 VanDerWaalsContact O-O 3.07Å; T616-D618 HydrophobicContact CG2-CB 4.02Å; T616-D618 WeakPolarHBondContact OG1-CB 3.26Å; T616-D618 PolarHBondContact OG1-N 2.71Å; T616-D618 PolarHBondContact OG1-OD2 3.02Å; T616-I620 HydrophobicContact CG2-CD1 3.84Å; T616-I620 HydrophobicContact CG2-CG1 4.29Å | ||
| 617 | T | 88.9 | Confident | 90.6 | Very high | 146 Ų | 146 | 62 Ų | 62 | 90% | 0.896 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -94.8 | -2.2 | 167.3 | 55.6 | 0 | 0 | 0 | 0 | 112.7 | ||
| 618 | D | 92 | Very high | 90.6 | Very high | 25 Ų | 25 | 62 Ų | 62 | 13% | 0.134 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -70.8 | 152 | 178.6 | -57.8 | -34.4 | 0 | 0 | 0 | 111.1 | R588 S590 T616 I620 | R588-D618 VanDerWaalsContact CD-OD2 3.31Å; R588-D618 WeakPolarHBondContact CD-OD2 3.41Å; R588-D618 HydrophobicContact CG-CB 3.64Å; R588-D618 IonicContact CZ-OD2 3.94Å; R588-D618 IonicContact NE-OD2 3.44Å; R588-D618 IonicContact NH1-OD2 2.71Å; S590-D618 WeakPolarHBondContact CB-OD1 3.3Å; T616-D618 HydrophobicContact CG2-CB 4.02Å; T616-D618 WeakPolarHBondContact OG1-CB 3.26Å; T616-D618 PolarHBondContact OG1-N 2.71Å; T616-D618 PolarHBondContact OG1-OD2 3.02Å; D618-I620 PolarHBondContact O-N 3.25Å |
| 619 | Q | 93.2 | Very high | 90.9 | Very high | 104 Ų | 104 | 59.1 Ų | 59.1 | 49% | 0.486 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 122.1 | 176.4 | -65.1 | 179.3 | -2.6 | 0 | 0 | 110.1 | R588 I589 Y621 | R588-Q619 CarbonylContact C-O 3.54Å; R588-Q619 WeakPolarHBondContact CA-O 3.27Å; I589-Q619 HydrophobicContact CB-CB 4.35Å; I589-Q619 PolarHBondContact N-O 2.86Å; I589-Q619 PolarHBondContact O-N 2.81Å; I589-Q619 VanDerWaalsContact O-N 3.08Å; Q619-Y621 HydrophobicContact CB-CE2 3.79Å; Q619-Y621 PolarHBondContact OE1-OH 3.21Å |
| 620 | I | 96.5 | Very high | 91.1 | Very high | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.036 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 136.8 | 179.3 | -56.1 | -178.5 | 0 | 0 | 0 | 109.7 | M555 L587 F611 T616 D618 P632 V633 | M555-I620 HydrophobicContact CE-CG2 4.34Å; L587-I620 CarbonylContact O-C 3.52Å; L587-I620 VanDerWaalsContact O-CA 3.28Å; L587-I620 WeakPolarHBondContact O-CA 3.4Å; F611-I620 HydrophobicContact CB-CG2 4.29Å; T616-I620 HydrophobicContact CG2-CD1 3.84Å; T616-I620 HydrophobicContact CG2-CG1 4.29Å; D618-I620 PolarHBondContact O-N 3.25Å; I620-P632 CarbonylContact O-C 3.44Å; I620-P632 WeakPolarHBondContact O-CA 3.26Å; I620-V633 HydrophobicContact CB-CB 4.14Å; I620-V633 HydrophobicContact CG2-CB 3.9Å; I620-V633 HydrophobicContact CG2-CG2 3.86Å; I620-V633 PolarHBondContact O-N 3.1Å |
| 621 | Y | 96.7 | Very high | 91.3 | Very high | 38 Ų | 38 | 59.6 Ų | 59.6 | 15% | 0.149 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 149.5 | 175.7 | -58.8 | -97.1 | 0 | 0 | 0 | 111.6 | F586 L587 I589 Q619 I631 P632 | F586-Y621 CarbonylContact C-O 3.57Å; F586-Y621 WeakPolarHBondContact CA-O 3.47Å; L587-Y621 HydrophobicContact CB-CD2 4.45Å; L587-Y621 PolarHBondContact N-O 3.48Å; L587-Y621 PolarHBondContact O-N 3.24Å; I589-Y621 HydrophobicContact CG1-CD2 4Å; I589-Y621 HydrophobicContact CG1-CE2 3.7Å; Q619-Y621 HydrophobicContact CB-CE2 3.79Å; Q619-Y621 PolarHBondContact OE1-OH 3.21Å; Y621-I631 CarbonylContact C-O 3.59Å; Y621-I631 VanDerWaalsContact CA-O 3.22Å; Y621-I631 WeakPolarHBondContact CA-O 3.44Å; Y621-P632 HydrophobicContact CD1-CB 4.33Å; Y621-P632 HydrophobicContact CE1-CB 4.25Å |
| 622 | F | 96.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 0% | 0.004 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.6 | 177.2 | 165.5 | -111.4 | 0 | 0 | 0 | 110.4 | V585 F586 N624 Y630 I631 V633 L637 I641 M646 L648 | V585-F622 HydrophobicContact CG1-CD2 4Å; V585-F622 HydrophobicContact CG1-CE2 3.79Å; F586-F622 HydrophobicContact CD1-CB 4.09Å; F586-F622 HydrophobicContact CD1-CD2 4.09Å; F586-F622 HydrophobicContact CE1-CB 4.02Å; F586-F622 AromaticContact CE1-CD2 3.56Å; F586-F622 HydrophobicContact CE1-CD2 3.56Å; F586-F622 HydrophobicContact CE1-CE2 4.49Å; F586-F622 HydrophobicContact CE1-CG 4.16Å; F586-F622 AromaticContact CZ-CD2 3.96Å; F586-F622 HydrophobicContact CZ-CD2 3.96Å; F586-F622 HydrophobicContact CZ-CE2 4.49Å; F622-N624 HydrophobicContact CE1-CB 4.32Å; F622-N624 PolarHBondContact O-N 3.18Å; F622-Y630 CarbonylContact O-C 3.52Å; F622-Y630 WeakPolarHBondContact O-CA 3.34Å; F622-I631 HydrophobicContact CD1-CD1 4.28Å; F622-I631 HydrophobicContact CD1-CG1 4.19Å; F622-I631 PolarHBondContact N-O 2.92Å; F622-I631 PolarHBondContact O-N 2.8Å; F622-V633 HydrophobicContact CB-CG2 3.57Å; F622-L637 HydrophobicContact CB-CD2 4.44Å; F622-L637 HydrophobicContact CD1-CD2 4.38Å; F622-I641 HydrophobicContact CB-CD1 4.34Å; F622-I641 HydrophobicContact CD1-CD1 4.21Å; F622-I641 HydrophobicContact CD2-CD1 4.13Å; F622-I641 HydrophobicContact CG-CD1 3.95Å; F622-M646 HydrophobicContact CE1-CE 4.01Å; F622-L648 HydrophobicContact CE2-CD2 3.88Å; F622-L648 HydrophobicContact CE2-CG 4.04Å; F622-L648 HydrophobicContact CZ-CG 4.46Å |
| 623 | L | 93.5 | Very high | 91.4 | Very high | 31 Ų | 31 | 63 Ų | 63 | 16% | 0.162 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 101.1 | 176.1 | -176.1 | 57.1 | 0 | 0 | 0 | 110.2 | L571 V585 G625 Y630 | L571-L623 HydrophobicContact CD1-CD1 3.83Å; L571-L623 HydrophobicContact CD2-CD1 3.81Å; V585-L623 WeakPolarHBondContact O-CB 3.47Å; V585-L623 PolarHBondContact O-N 2.88Å; L623-G625 PolarHBondContact O-N 2.6Å; L623-Y630 HydrophobicContact CB-CD1 3.89Å; L623-Y630 HydrophobicContact CB-CE1 3.53Å; L623-Y630 HydrophobicContact CD1-CD1 4.35Å; L623-Y630 HydrophobicContact CD1-CD2 4.28Å; L623-Y630 HydrophobicContact CD1-CE1 4.2Å; L623-Y630 HydrophobicContact CD1-CE2 4.12Å; L623-Y630 HydrophobicContact CD1-CG 4.39Å; L623-Y630 HydrophobicContact CG-CE1 4.31Å |
| 624 | N | 89.4 | Confident | 91.4 | Very high | 31 Ų | 31 | 65.8 Ų | 65.8 | 17% | 0.166 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 103.5 | 173.4 | -175.5 | -34.7 | 0 | 0 | 0 | 109.7 | F622 R626 A627 A628 R629 I631 | F622-N624 HydrophobicContact CE1-CB 4.32Å; F622-N624 PolarHBondContact O-N 3.18Å; N624-R626 VanDerWaalsContact C-N 3.26Å; N624-R626 PolarHBondContact O-N 3.18Å; N624-R626 PolarHBondContact OD1-N 2.94Å; N624-A627 HydrophobicContact CB-CB 4.15Å; N624-A627 PolarHBondContact O-N 3.17Å; N624-A627 PolarHBondContact OD1-N 3.46Å; N624-A627 VanDerWaalsContact OD1-N 3.1Å; N624-A628 WeakPolarHBondContact O-CA 3.39Å; N624-A628 PolarHBondContact O-N 3.35Å; N624-R629 PolarHBondContact N-O 2.83Å; N624-R629 PolarHBondContact O-N 3.23Å; N624-I631 HydrophobicContact CB-CD1 4.11Å; N624-I631 HydrophobicContact CB-CG1 4.33Å |
| 625 | G | 80.3 | Confident | 91.4 | Very high | 61 Ų | 61 | 65.4 Ų | 65.4 | 63% | 0.629 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -28.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L623 | L623-G625 PolarHBondContact O-N 2.6Š|
| 626 | R | 81.8 | Confident | 91.5 | Very high | 218 Ų | 218 | 67.8 Ų | 67.8 | 82% | 0.823 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -40.6 | 177.6 | -64 | -176.8 | -173.4 | 176.6 | 3.2 | 112 | N624 A628 | N624-R626 VanDerWaalsContact C-N 3.26Å; N624-R626 PolarHBondContact O-N 3.18Å; N624-R626 PolarHBondContact OD1-N 2.94Å; R626-A628 VanDerWaalsContact C-N 3.3Å |
| 627 | A | 82.2 | Confident | 91.7 | Very high | 49 Ų | 49 | 67.5 Ų | 67.5 | 41% | 0.405 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -7.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N624 R629 | N624-A627 HydrophobicContact CB-CB 4.15Å; N624-A627 PolarHBondContact O-N 3.17Å; N624-A627 PolarHBondContact OD1-N 3.46Å; N624-A627 VanDerWaalsContact OD1-N 3.1Å; A627-R629 HydrophobicContact CB-CG 3.91Å; A627-R629 PolarHBondContact O-N 2.71Å |
| 628 | A | 86.1 | Confident | 91.9 | Very high | 61 Ų | 61 | 62.3 Ų | 62.3 | 50% | 0.504 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 41 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L571 N624 R626 | L571-A628 WeakPolarHBondContact CD2-O 3.47Å; N624-A628 WeakPolarHBondContact O-CA 3.39Å; N624-A628 PolarHBondContact O-N 3.35Å; R626-A628 VanDerWaalsContact C-N 3.3Å |
| 629 | R | 93.4 | Very high | 91.9 | Very high | 137 Ų | 137 | 63.7 Ų | 63.7 | 52% | 0.517 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 158.5 | -179.7 | 69.8 | -178.5 | -174.4 | 175.5 | 1.4 | 111.8 | N624 A627 I631 | N624-R629 PolarHBondContact N-O 2.83Å; N624-R629 PolarHBondContact O-N 3.23Å; A627-R629 HydrophobicContact CB-CG 3.91Å; A627-R629 PolarHBondContact O-N 2.71Å; R629-I631 HydrophobicContact CG-CG2 4.06Å |
| 630 | Y | 95.4 | Very high | 91.8 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 4% | 0.043 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 133.6 | 168.6 | -73 | -79.4 | 0 | 0 | 0 | 110.1 | C567 F570 L571 I574 P584 L587 F622 L623 | C567-Y630 HydrophobicContact CB-CD2 4.42Å; F570-Y630 AromaticContact CD1-CE2 3.92Å; F570-Y630 HydrophobicContact CD1-CE2 3.92Å; F570-Y630 HydrophobicContact CE1-CE2 4.15Å; L571-Y630 HydrophobicContact CB-CD2 4.13Å; L571-Y630 HydrophobicContact CB-CE2 4Å; L571-Y630 HydrophobicContact CD1-CE2 3.88Å; L571-Y630 HydrophobicContact CG-CE2 4.37Å; I574-Y630 HydrophobicContact CD1-CE2 4.39Å; I574-Y630 WeakPolarHBondContact CD1-OH 3.42Å; P584-Y630 PolarHBondContact O-OH 3.03Å; L587-Y630 HydrophobicContact CD1-CD1 3.72Å; L587-Y630 HydrophobicContact CD1-CD2 3.78Å; L587-Y630 HydrophobicContact CD1-CE1 3.71Å; L587-Y630 HydrophobicContact CD1-CE2 3.76Å; L587-Y630 HydrophobicContact CD1-CG 3.77Å; L587-Y630 HydrophobicContact CD2-CE1 4.08Å; L587-Y630 HydrophobicContact CG-CD1 3.81Å; L587-Y630 HydrophobicContact CG-CE1 3.51Å; L587-Y630 HydrophobicContact CG-CE2 4.39Å; L587-Y630 HydrophobicContact CG-CG 4.37Å; F622-Y630 CarbonylContact O-C 3.52Å; F622-Y630 WeakPolarHBondContact O-CA 3.34Å; L623-Y630 HydrophobicContact CB-CD1 3.89Å; L623-Y630 HydrophobicContact CB-CE1 3.53Å; L623-Y630 HydrophobicContact CD1-CD1 4.35Å; L623-Y630 HydrophobicContact CD1-CD2 4.28Å; L623-Y630 HydrophobicContact CD1-CE1 4.2Å; L623-Y630 HydrophobicContact CD1-CE2 4.12Å; L623-Y630 HydrophobicContact CD1-CG 4.39Å; L623-Y630 HydrophobicContact CG-CE1 4.31Å |
| 631 | I | 94.9 | Very high | 91.6 | Very high | 30 Ų | 30 | 59.2 Ų | 59.2 | 15% | 0.154 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 145 | 175.9 | 59.6 | 174 | 0 | 0 | 0 | 109.9 | Y621 F622 N624 R629 L637 | Y621-I631 CarbonylContact C-O 3.59Å; Y621-I631 VanDerWaalsContact CA-O 3.22Å; Y621-I631 WeakPolarHBondContact CA-O 3.44Å; F622-I631 HydrophobicContact CD1-CD1 4.28Å; F622-I631 HydrophobicContact CD1-CG1 4.19Å; F622-I631 PolarHBondContact N-O 2.92Å; F622-I631 PolarHBondContact O-N 2.8Å; N624-I631 HydrophobicContact CB-CD1 4.11Å; N624-I631 HydrophobicContact CB-CG1 4.33Å; R629-I631 HydrophobicContact CG-CG2 4.06Å; I631-L637 HydrophobicContact CD1-CD2 3.59Å; I631-L637 HydrophobicContact CG1-CD2 3.82Å |
| 632 | P | 95.1 | Very high | 91.2 | Very high | 86 Ų | 86 | 59.5 Ų | 59.5 | 56% | 0.558 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 141.7 | 179.2 | 25.4 | -32.7 | 0 | 0 | 0 | 110.9 | I620 Y621 L637 | I620-P632 CarbonylContact O-C 3.44Å; I620-P632 WeakPolarHBondContact O-CA 3.26Å; Y621-P632 HydrophobicContact CD1-CB 4.33Å; Y621-P632 HydrophobicContact CE1-CB 4.25Å; P632-L637 WeakPolarHBondContact O-CD2 3.29Å |
| 633 | V | 95.4 | Very high | 91 | Very high | 11 Ų | 11 | 65 Ų | 65 | 7% | 0.067 | 34% | 0.342 | C | S | . | . | trans | -95.3 | 104.2 | 176.3 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | P613 I620 F622 L637 | P613-V633 WeakPolarHBondContact CB-O 3.49Å; P613-V633 HydrophobicContact CG-CG1 4.31Å; I620-V633 HydrophobicContact CB-CB 4.14Å; I620-V633 HydrophobicContact CG2-CB 3.9Å; I620-V633 HydrophobicContact CG2-CG2 3.86Å; I620-V633 PolarHBondContact O-N 3.1Å; F622-V633 HydrophobicContact CB-CG2 3.57Å; V633-L637 HydrophobicContact CG2-CD2 4.29Å | ||
| 634 | D | 94 | Very high | 90.4 | Very high | 89 Ų | 89 | 66.1 Ų | 66.1 | 48% | 0.476 | 36% | 0.362 | S | S | . | . | trans | -92.8 | 179 | 165.3 | 57.7 | 23.1 | 0 | 0 | 0 | 110.8 | E636 L637 Y638 | D634-E636 VanDerWaalsContact C-N 3.26Å; D634-E636 PolarHBondContact O-N 3.16Å; D634-E636 PolarHBondContact OD1-N 3.45Å; D634-L637 PolarHBondContact O-N 2.92Å; D634-L637 VanDerWaalsContact OD1-CB 3.28Å; D634-L637 WeakPolarHBondContact OD1-CB 3.28Å; D634-L637 PolarHBondContact OD1-N 3.42Å; D634-Y638 VanDerWaalsContact O-CB 3.3Å; D634-Y638 WeakPolarHBondContact O-CB 3.44Å; D634-Y638 PolarHBondContact O-N 2.95Å | ||
| 635 | E | 93.6 | Very high | 90.1 | Very high | 116 Ų | 116 | 72.3 Ų | 72.3 | 54% | 0.542 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.4 | -34.7 | -180 | -65.7 | -170.1 | -171.9 | 0 | 0 | 112.7 | R614 N639 | R614-E635 HydrophobicContact CG-CG 4Å; E635-N639 WeakPolarHBondContact O-CB 3.29Å; E635-N639 PolarHBondContact O-N 2.92Å; E635-N639 PolarHBondContact O-ND2 3.31Å |
| 636 | E | 93.7 | Very high | 90.1 | Very high | 145 Ų | 145 | 72 Ų | 72 | 68% | 0.678 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -68.7 | -47.1 | -179.9 | -174.9 | 178.4 | 177.7 | 0 | 0 | 111.4 | D634 N639 S640 | D634-E636 VanDerWaalsContact C-N 3.26Å; D634-E636 PolarHBondContact O-N 3.16Å; D634-E636 PolarHBondContact OD1-N 3.45Å; E636-N639 PolarHBondContact O-N 3.36Å; E636-S640 WeakPolarHBondContact O-CB 3.43Å; E636-S640 PolarHBondContact O-N 3.06Å; E636-S640 PolarHBondContact O-OG 3.42Å |
| 637 | L | 92.5 | Very high | 89.7 | Confident | 20 Ų | 20 | 65 Ų | 65 | 11% | 0.105 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 176.7 | -177.9 | 57.8 | 0 | 0 | 0 | 111 | F622 I631 P632 V633 D634 S640 I641 M646 | F622-L637 HydrophobicContact CB-CD2 4.44Å; F622-L637 HydrophobicContact CD1-CD2 4.38Å; I631-L637 HydrophobicContact CD1-CD2 3.59Å; I631-L637 HydrophobicContact CG1-CD2 3.82Å; P632-L637 WeakPolarHBondContact O-CD2 3.29Å; V633-L637 HydrophobicContact CG2-CD2 4.29Å; D634-L637 PolarHBondContact O-N 2.92Å; D634-L637 VanDerWaalsContact OD1-CB 3.28Å; D634-L637 WeakPolarHBondContact OD1-CB 3.28Å; D634-L637 PolarHBondContact OD1-N 3.42Å; L637-S640 PolarHBondContact O-N 3.36Å; L637-I641 HydrophobicContact CD1-CD1 4.25Å; L637-I641 HydrophobicContact CD1-CG1 4.32Å; L637-I641 HydrophobicContact CG-CD1 4.01Å; L637-I641 VanDerWaalsContact O-CG1 3.29Å; L637-I641 WeakPolarHBondContact O-CG1 3.48Å; L637-I641 PolarHBondContact O-N 3.09Å; L637-M646 HydrophobicContact CD1-CE 3.72Å; L637-M646 HydrophobicContact CD1-CG 3.98Å |
| 638 | Y | 93.4 | Very high | 89.4 | Confident | 37 Ų | 37 | 64.8 Ų | 64.8 | 15% | 0.145 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -56.4 | -52.5 | 174 | 173.8 | -93.2 | 0 | 0 | 0 | 111.5 | F611 D612 D634 S640 I641 V642 | F611-Y638 AromaticContact CD2-CD2 3.62Å; F611-Y638 HydrophobicContact CD2-CD2 3.62Å; F611-Y638 AromaticContact CD2-CE2 3.82Å; F611-Y638 HydrophobicContact CD2-CE2 3.82Å; F611-Y638 AromaticContact CE2-CD2 3.48Å; F611-Y638 HydrophobicContact CE2-CD2 3.48Å; F611-Y638 VanDerWaalsContact CE2-CD2 3.48Å; F611-Y638 AromaticContact CE2-CE2 3.51Å; F611-Y638 HydrophobicContact CE2-CE2 3.51Å; F611-Y638 HydrophobicContact CZ-CD2 4.42Å; F611-Y638 HydrophobicContact CZ-CE2 4.03Å; D612-Y638 HydrophobicContact CB-CD2 4.31Å; D612-Y638 HydrophobicContact CB-CE2 3.66Å; D612-Y638 PolarHBondContact OD2-OH 3.43Å; D634-Y638 VanDerWaalsContact O-CB 3.3Å; D634-Y638 WeakPolarHBondContact O-CB 3.44Å; D634-Y638 PolarHBondContact O-N 2.95Å; Y638-S640 VanDerWaalsContact C-N 3.28Å; Y638-S640 PolarHBondContact O-N 3.25Å; Y638-I641 PolarHBondContact O-N 3.26Å; Y638-I641 VanDerWaalsContact O-N 3.16Å; Y638-V642 HydrophobicContact CD1-CG2 4.24Å; Y638-V642 HydrophobicContact CD2-CG2 4.42Å; Y638-V642 HydrophobicContact CE1-CG2 3.72Å; Y638-V642 HydrophobicContact CE2-CG2 3.93Å; Y638-V642 WeakPolarHBondContact O-CG2 3.3Å; Y638-V642 PolarHBondContact O-N 2.98Å |
| 639 | N | 93.4 | Very high | 89.6 | Confident | 55 Ų | 55 | 65 Ų | 65 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61 | -39.3 | 178.5 | -69.7 | -30.6 | 0 | 0 | 0 | 111.1 | E635 E636 I641 V642 E643 | E635-N639 WeakPolarHBondContact O-CB 3.29Å; E635-N639 PolarHBondContact O-N 2.92Å; E635-N639 PolarHBondContact O-ND2 3.31Å; E636-N639 PolarHBondContact O-N 3.36Å; N639-I641 VanDerWaalsContact C-N 3.34Å; N639-I641 PolarHBondContact O-N 3.12Å; N639-V642 PolarHBondContact O-N 3.34Å; N639-E643 VanDerWaalsContact O-CB 3.31Å; N639-E643 WeakPolarHBondContact O-CB 3.49Å; N639-E643 VanDerWaalsContact O-CG 3.24Å; N639-E643 WeakPolarHBondContact O-CG 3.4Å; N639-E643 PolarHBondContact O-N 2.89Å |
| 640 | S | 91.3 | Very high | 89.4 | Confident | 15 Ų | 15 | 61.2 Ų | 61.2 | 11% | 0.105 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.7 | -35.7 | 176.5 | -60.9 | 0 | 0 | 0 | 0 | 113.3 | E636 L637 Y638 G644 R645 M646 | E636-S640 WeakPolarHBondContact O-CB 3.43Å; E636-S640 PolarHBondContact O-N 3.06Å; E636-S640 PolarHBondContact O-OG 3.42Å; L637-S640 PolarHBondContact O-N 3.36Å; Y638-S640 VanDerWaalsContact C-N 3.28Å; Y638-S640 PolarHBondContact O-N 3.25Å; S640-G644 PolarHBondContact O-N 3.33Å; S640-R645 WeakPolarHBondContact O-CA 3.24Å; S640-R645 WeakPolarHBondContact O-CB 3.31Å; S640-R645 PolarHBondContact O-N 3.45Å; S640-M646 PolarHBondContact O-N 2.9Å; S640-M646 VanDerWaalsContact O-N 3.11Å |
| 641 | I | 90.4 | Very high | 89 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.4 | -47.3 | 174.4 | -68.4 | 166 | 0 | 0 | 0 | 110.3 | V546 F586 F611 F622 L637 Y638 N639 E643 G644 M646 L648 | V546-I641 HydrophobicContact CG1-CG2 3.8Å; F586-I641 HydrophobicContact CE1-CD1 4.07Å; F586-I641 HydrophobicContact CZ-CD1 4.46Å; F586-I641 HydrophobicContact CZ-CG2 4.41Å; F611-I641 HydrophobicContact CE2-CB 4.36Å; F611-I641 HydrophobicContact CE2-CG2 3.84Å; F611-I641 HydrophobicContact CZ-CG2 4.05Å; F622-I641 HydrophobicContact CB-CD1 4.34Å; F622-I641 HydrophobicContact CD1-CD1 4.21Å; F622-I641 HydrophobicContact CD2-CD1 4.13Å; F622-I641 HydrophobicContact CG-CD1 3.95Å; L637-I641 HydrophobicContact CD1-CD1 4.25Å; L637-I641 HydrophobicContact CD1-CG1 4.32Å; L637-I641 HydrophobicContact CG-CD1 4.01Å; L637-I641 VanDerWaalsContact O-CG1 3.29Å; L637-I641 WeakPolarHBondContact O-CG1 3.48Å; L637-I641 PolarHBondContact O-N 3.09Å; Y638-I641 PolarHBondContact O-N 3.26Å; Y638-I641 VanDerWaalsContact O-N 3.16Å; N639-I641 VanDerWaalsContact C-N 3.34Å; N639-I641 PolarHBondContact O-N 3.12Å; I641-E643 VanDerWaalsContact C-N 3.32Å; I641-E643 PolarHBondContact O-N 3.46Å; I641-G644 PolarHBondContact O-N 3.11Å; I641-G644 VanDerWaalsContact O-N 3.09Å; I641-M646 HydrophobicContact CG1-CB 3.93Å; I641-L648 HydrophobicContact CG2-CD1 4.48Å |
| 642 | V | 90.2 | Very high | 88.7 | Confident | 45 Ų | 45 | 65.9 Ų | 65.9 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | -179 | 164.7 | 0 | 0 | 0 | 0 | 112.3 | P547 F611 Y638 N639 G644 | P547-V642 HydrophobicContact CG-CG1 4.19Å; F611-V642 HydrophobicContact CE2-CG2 4.45Å; F611-V642 HydrophobicContact CZ-CG2 4.28Å; Y638-V642 HydrophobicContact CD1-CG2 4.24Å; Y638-V642 HydrophobicContact CD2-CG2 4.42Å; Y638-V642 HydrophobicContact CE1-CG2 3.72Å; Y638-V642 HydrophobicContact CE2-CG2 3.93Å; Y638-V642 WeakPolarHBondContact O-CG2 3.3Å; Y638-V642 PolarHBondContact O-N 2.98Å; N639-V642 PolarHBondContact O-N 3.34Å; V642-G644 PolarHBondContact O-N 2.84Å |
| 643 | E | 90.2 | Very high | 88.3 | Confident | 116 Ų | 116 | 64.7 Ų | 64.7 | 54% | 0.542 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -0.5 | 177.5 | -67.8 | 169.3 | -172.7 | 0 | 0 | 113.2 | N639 I641 R645 | N639-E643 VanDerWaalsContact O-CB 3.31Å; N639-E643 WeakPolarHBondContact O-CB 3.49Å; N639-E643 VanDerWaalsContact O-CG 3.24Å; N639-E643 WeakPolarHBondContact O-CG 3.4Å; N639-E643 PolarHBondContact O-N 2.89Å; I641-E643 VanDerWaalsContact C-N 3.32Å; I641-E643 PolarHBondContact O-N 3.46Å; E643-R645 HydrophobicContact CB-CG 4.35Å; E643-R645 PolarHBondContact O-N 2.94Å; E643-R645 IonicContact OE1-NH2 3.23Å; E643-R645 IonicContact OE2-CZ 3.43Å; E643-R645 IonicContact OE2-NE 2.81Å; E643-R645 PolarHBondContact OE2-NE 2.66Å; E643-R645 IonicContact OE2-NH2 3.57Å; E643-R645 PolarHBondContact OE2-NH2 3.42Å |
| 644 | G | 82 | Confident | 87.8 | Confident | 55 Ų | 55 | 68.3 Ų | 68.3 | 57% | 0.567 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 13.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S640 I641 V642 M646 | S640-G644 PolarHBondContact O-N 3.33Å; I641-G644 PolarHBondContact O-N 3.11Å; I641-G644 VanDerWaalsContact O-N 3.09Å; V642-G644 PolarHBondContact O-N 2.84Å; G644-M646 VanDerWaalsContact C-N 3.29Å |
| 645 | R | 83.6 | Confident | 87.3 | Confident | 161 Ų | 161 | 66.8 Ų | 66.8 | 61% | 0.608 | 35% | 0.347 | S | S | * | . | trans | -72.9 | -24 | 174.6 | -66.6 | -169.5 | -81.1 | 155.4 | -4 | 112.2 | S640 E643 | S640-R645 WeakPolarHBondContact O-CA 3.24Å; S640-R645 WeakPolarHBondContact O-CB 3.31Å; S640-R645 PolarHBondContact O-N 3.45Å; E643-R645 HydrophobicContact CB-CG 4.35Å; E643-R645 PolarHBondContact O-N 2.94Å; E643-R645 IonicContact OE1-NH2 3.23Å; E643-R645 IonicContact OE2-CZ 3.43Å; E643-R645 IonicContact OE2-NE 2.81Å; E643-R645 PolarHBondContact OE2-NE 2.66Å; E643-R645 IonicContact OE2-NH2 3.57Å; E643-R645 PolarHBondContact OE2-NH2 3.42Å | ||
| 646 | M | 80.5 | Confident | 86.9 | Confident | 53 Ų | 53 | 63 Ų | 63 | 26% | 0.261 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -107.9 | 125.4 | 174.7 | -77.4 | -70.4 | -82 | 0 | 0 | 111.3 | F622 L637 S640 I641 G644 | F622-M646 HydrophobicContact CE1-CE 4.01Å; L637-M646 HydrophobicContact CD1-CE 3.72Å; L637-M646 HydrophobicContact CD1-CG 3.98Å; S640-M646 PolarHBondContact O-N 2.9Å; S640-M646 VanDerWaalsContact O-N 3.11Å; I641-M646 HydrophobicContact CG1-CB 3.93Å; G644-M646 VanDerWaalsContact C-N 3.29Å |
| 647 | S | 72.9 | Confident | 86.3 | Confident | 73 Ų | 73 | 56.2 Ų | 56.2 | 51% | 0.51 | 30% | 0.303 | S | S | . | . | trans | -80.5 | 128.1 | 176.5 | 61.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 648 | L | 75.3 | Confident | 85.7 | Confident | 43 Ų | 43 | 59.5 Ų | 59.5 | 23% | 0.225 | 32% | 0.321 | C | S | . | . | trans | -76.6 | 0 | 170.1 | -60.7 | 108.8 | 0 | 0 | 0 | 112.8 | W516 R517 V546 V549 A553 V585 F586 F622 I641 | W516-L648 HydrophobicContact CH2-CB 3.95Å; W516-L648 HydrophobicContact CH2-CD2 4.23Å; W516-L648 HydrophobicContact CZ2-CB 4.18Å; R517-L648 PolarHBondContact NH2-O 3.45Å; R517-L648 PolarHBondContact NH2-OXT 2.72Å; V546-L648 HydrophobicContact CB-CD1 4.38Å; V546-L648 HydrophobicContact CG1-CD1 3.63Å; V546-L648 HydrophobicContact CG1-CD2 4.3Å; V546-L648 HydrophobicContact CG2-CD2 4.07Å; V549-L648 HydrophobicContact CG2-CD1 3.61Å; A553-L648 HydrophobicContact CB-CD2 4.48Å; V585-L648 HydrophobicContact CG1-CD2 3.67Å; F586-L648 HydrophobicContact CE2-CD2 3.86Å; F586-L648 HydrophobicContact CZ-CD2 3.76Å; F622-L648 HydrophobicContact CE2-CD2 3.88Å; F622-L648 HydrophobicContact CE2-CG 4.04Å; F622-L648 HydrophobicContact CZ-CG 4.46Å; I641-L648 HydrophobicContact CG2-CD1 4.48Å |
Retrieved 648 of 648 residues in 1536.4 ms
(Link to these results)