| 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 | 45.6 | Very low | 69.2 | Low | 211 Ų | 211 | 104.4 Ų | 104.4 | 100% | 1.039 | 60% | 0.599 | S | S | * | * | 0 | 105.9 | 0 | -134.3 | 159.5 | 150.8 | 0 | 0 | 106.4 | M3 | M1-M3 PolarHBondContact O-N 3.02Š| |||
| 2 | N | 57.1 | Low | 69.6 | Low | 116 Ų | 116 | 105.9 Ų | 105.9 | 62% | 0.62 | 59% | 0.594 | S | S | * | * | trans | -67.1 | 122 | -176.8 | -68.3 | -11.8 | 0 | 0 | 0 | 108 | S4 S5 | N2-S4 PolarHBondContact O-N 2.92Å; N2-S5 WeakPolarHBondContact O-CB 3.37Å; N2-S5 PolarHBondContact O-N 3Å | ||
| 3 | M | 62.7 | Low | 69.9 | Low | 174 Ų | 174 | 104.1 Ų | 104.1 | 86% | 0.857 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -53.5 | -28.2 | -180 | -77.2 | -170.3 | -104.6 | 0 | 0 | 112.1 | M1 S5 C6 L7 | M1-M3 PolarHBondContact O-N 3.02Å; M3-S5 VanDerWaalsContact C-N 3.33Å; M3-S5 PolarHBondContact O-N 3.14Å; M3-C6 PolarHBondContact O-N 2.64Å; M3-L7 PolarHBondContact O-N 2.91Å; M3-L7 VanDerWaalsContact O-N 3.15Å |
| 4 | S | 74.6 | Confident | 70.3 | Confident | 81 Ų | 81 | 102.6 Ų | 102.6 | 57% | 0.566 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58.5 | -38.5 | 173.2 | 59.8 | 0 | 0 | 0 | 0 | 113.3 | N2 L7 L8 | N2-S4 PolarHBondContact O-N 2.92Å; S4-L7 PolarHBondContact O-N 2.7Å; S4-L8 WeakPolarHBondContact O-CB 3.11Å; S4-L8 PolarHBondContact O-N 3.27Å |
| 5 | S | 71.7 | Confident | 70.4 | Confident | 74 Ų | 74 | 99.8 Ų | 99.8 | 52% | 0.517 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.1 | -36.7 | -179.4 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | N2 M3 G9 | N2-S5 WeakPolarHBondContact O-CB 3.37Å; N2-S5 PolarHBondContact O-N 3Å; M3-S5 VanDerWaalsContact C-N 3.33Å; M3-S5 PolarHBondContact O-N 3.14Å; S5-G9 PolarHBondContact O-N 3.11Å |
| 6 | C | 72.6 | Confident | 70.3 | Confident | 70 Ų | 70 | 99.3 Ų | 99.3 | 47% | 0.473 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.1 | -43.4 | 174.9 | -70.2 | 0 | 0 | 0 | 0 | 111.3 | M3 G9 V10 | M3-C6 PolarHBondContact O-N 2.64Å; C6-G9 PolarHBondContact O-N 2.88Å; C6-V10 PolarHBondContact O-N 3.48Å; C6-V10 VanDerWaalsContact O-N 3.08Å |
| 7 | L | 74.1 | Confident | 69.8 | Low | 123 Ų | 123 | 97.2 Ų | 97.2 | 64% | 0.644 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.3 | -40 | 179.6 | -155.2 | 135.5 | 0 | 0 | 0 | 111.3 | M3 S4 G9 V10 V11 | M3-L7 PolarHBondContact O-N 2.91Å; M3-L7 VanDerWaalsContact O-N 3.15Å; S4-L7 PolarHBondContact O-N 2.7Å; L7-G9 VanDerWaalsContact C-N 3.33Å; L7-G9 PolarHBondContact O-N 3.32Å; L7-V10 PolarHBondContact O-N 3.2Å; L7-V11 HydrophobicContact CD2-CG2 4.36Å; L7-V11 WeakPolarHBondContact O-CG2 2.96Å; L7-V11 PolarHBondContact O-N 2.95Å |
| 8 | L | 74 | Confident | 69.6 | Low | 103 Ų | 103 | 98.7 Ų | 98.7 | 54% | 0.539 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.5 | -44 | 172.1 | -157.5 | 88.7 | 0 | 0 | 0 | 110.9 | S4 V10 V11 F12 | S4-L8 WeakPolarHBondContact O-CB 3.11Å; S4-L8 PolarHBondContact O-N 3.27Å; L8-V10 PolarHBondContact O-N 3.13Å; L8-V11 PolarHBondContact O-N 3.37Å; L8-F12 HydrophobicContact CD1-CE2 4.31Å; L8-F12 HydrophobicContact CD2-CD2 4.05Å; L8-F12 HydrophobicContact CD2-CE2 3.66Å; L8-F12 HydrophobicContact CG-CD2 3.76Å; L8-F12 HydrophobicContact CG-CE2 3.65Å; L8-F12 WeakPolarHBondContact O-CB 3.49Å; L8-F12 VanDerWaalsContact O-CD2 3.27Å; L8-F12 WeakPolarHBondContact O-CD2 3.12Å; L8-F12 PolarHBondContact O-N 2.82Å |
| 9 | G | 74.9 | Confident | 69.3 | Low | 34 Ų | 34 | 100.5 Ų | 100.5 | 35% | 0.351 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -57.3 | -46.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S5 C6 L7 F12 I13 | S5-G9 PolarHBondContact O-N 3.11Å; C6-G9 PolarHBondContact O-N 2.88Å; L7-G9 VanDerWaalsContact C-N 3.33Å; L7-G9 PolarHBondContact O-N 3.32Å; G9-F12 PolarHBondContact O-N 3.15Å; G9-I13 WeakPolarHBondContact O-CB 3.33Å; G9-I13 WeakPolarHBondContact O-CG1 3.37Å; G9-I13 PolarHBondContact O-N 2.84Å |
| 10 | V | 78.1 | Confident | 68.9 | Low | 87 Ų | 87 | 99 Ų | 99 | 53% | 0.527 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 176.7 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | C6 L7 L8 I13 I14 | C6-V10 PolarHBondContact O-N 3.48Å; C6-V10 VanDerWaalsContact O-N 3.08Å; L7-V10 PolarHBondContact O-N 3.2Å; L8-V10 PolarHBondContact O-N 3.13Å; V10-I13 PolarHBondContact O-N 3.11Å; V10-I14 HydrophobicContact CG1-CD1 3.81Å; V10-I14 HydrophobicContact CG1-CG1 4.49Å; V10-I14 VanDerWaalsContact O-CG1 3.31Å; V10-I14 WeakPolarHBondContact O-CG1 3.25Å; V10-I14 PolarHBondContact O-N 3.34Å |
| 11 | V | 75.3 | Confident | 68.3 | Low | 75 Ų | 75 | 96.7 Ų | 96.7 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 178.4 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | L7 L8 I14 S15 | L7-V11 HydrophobicContact CD2-CG2 4.36Å; L7-V11 WeakPolarHBondContact O-CG2 2.96Å; L7-V11 PolarHBondContact O-N 2.95Å; L8-V11 PolarHBondContact O-N 3.37Å; V11-I14 PolarHBondContact O-N 2.98Å; V11-S15 WeakPolarHBondContact O-CB 3.42Å; V11-S15 PolarHBondContact O-N 3.25Å; V11-S15 PolarHBondContact O-OG 3.47Å |
| 12 | F | 74.2 | Confident | 68.7 | Low | 123 Ų | 123 | 91.7 Ų | 91.7 | 54% | 0.539 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 177.2 | -95 | -72.1 | 0 | 0 | 0 | 112.2 | L8 G9 S15 I16 | L8-F12 HydrophobicContact CD1-CE2 4.31Å; L8-F12 HydrophobicContact CD2-CD2 4.05Å; L8-F12 HydrophobicContact CD2-CE2 3.66Å; L8-F12 HydrophobicContact CG-CD2 3.76Å; L8-F12 HydrophobicContact CG-CE2 3.65Å; L8-F12 WeakPolarHBondContact O-CB 3.49Å; L8-F12 VanDerWaalsContact O-CD2 3.27Å; L8-F12 WeakPolarHBondContact O-CD2 3.12Å; L8-F12 PolarHBondContact O-N 2.82Å; G9-F12 PolarHBondContact O-N 3.15Å; F12-S15 PolarHBondContact O-N 2.86Å; F12-I16 VanDerWaalsContact O-CG1 3.29Å; F12-I16 WeakPolarHBondContact O-CG1 3.22Å; F12-I16 PolarHBondContact O-N 3.34Å |
| 13 | I | 73.6 | Confident | 68.5 | Low | 82 Ų | 82 | 92.3 Ų | 92.3 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -56.2 | -55.9 | 175 | -73.4 | -59.3 | 0 | 0 | 0 | 109.4 | G9 V10 S15 I16 F17 | G9-I13 WeakPolarHBondContact O-CB 3.33Å; G9-I13 WeakPolarHBondContact O-CG1 3.37Å; G9-I13 PolarHBondContact O-N 2.84Å; V10-I13 PolarHBondContact O-N 3.11Å; I13-S15 VanDerWaalsContact C-N 3.28Å; I13-S15 PolarHBondContact O-N 3.07Å; I13-I16 PolarHBondContact O-N 3.2Å; I13-F17 HydrophobicContact CB-CE2 4.32Å; I13-F17 HydrophobicContact CD1-CE2 4.48Å; I13-F17 HydrophobicContact CG2-CD2 3.76Å; I13-F17 HydrophobicContact CG2-CE2 3.44Å; I13-F17 VanDerWaalsContact CG2-CE2 3.44Å; I13-F17 WeakPolarHBondContact O-CD2 3.42Å; I13-F17 PolarHBondContact O-N 3.37Å |
| 14 | I | 75.2 | Confident | 68.1 | Low | 84 Ų | 84 | 87.7 Ų | 87.7 | 43% | 0.431 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -56.6 | -41.8 | 178.6 | -66.1 | 168.1 | 0 | 0 | 0 | 111.8 | V10 V11 F17 L18 | V10-I14 HydrophobicContact CG1-CD1 3.81Å; V10-I14 HydrophobicContact CG1-CG1 4.49Å; V10-I14 VanDerWaalsContact O-CG1 3.31Å; V10-I14 WeakPolarHBondContact O-CG1 3.25Å; V10-I14 PolarHBondContact O-N 3.34Å; V11-I14 PolarHBondContact O-N 2.98Å; I14-F17 PolarHBondContact O-N 3.49Å; I14-L18 HydrophobicContact CG2-CD1 4.15Å; I14-L18 HydrophobicContact CG2-CG 4.35Å; I14-L18 WeakPolarHBondContact O-CG 3.36Å; I14-L18 PolarHBondContact O-N 2.94Å |
| 15 | S | 72.2 | Confident | 67.3 | Low | 60 Ų | 60 | 93.1 Ų | 93.1 | 42% | 0.42 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | -178.6 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | V11 F12 I13 F17 L18 L19 | V11-S15 WeakPolarHBondContact O-CB 3.42Å; V11-S15 PolarHBondContact O-N 3.25Å; V11-S15 PolarHBondContact O-OG 3.47Å; F12-S15 PolarHBondContact O-N 2.86Å; I13-S15 VanDerWaalsContact C-N 3.28Å; I13-S15 PolarHBondContact O-N 3.07Å; S15-F17 VanDerWaalsContact C-N 3.29Å; S15-F17 PolarHBondContact O-N 3.08Å; S15-L18 PolarHBondContact O-N 2.8Å; S15-L19 WeakPolarHBondContact O-CB 3.34Å; S15-L19 PolarHBondContact O-N 3.49Å |
| 16 | I | 68.7 | Low | 66.6 | Low | 92 Ų | 92 | 93.4 Ų | 93.4 | 47% | 0.472 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 176 | -67.4 | 166.5 | 0 | 0 | 0 | 110.4 | F12 I13 L19 S20 | F12-I16 VanDerWaalsContact O-CG1 3.29Å; F12-I16 WeakPolarHBondContact O-CG1 3.22Å; F12-I16 PolarHBondContact O-N 3.34Å; I13-I16 PolarHBondContact O-N 3.2Å; I16-L19 PolarHBondContact O-N 3.13Å; I16-S20 WeakPolarHBondContact O-CB 3.26Å; I16-S20 PolarHBondContact O-N 2.91Å; I16-S20 PolarHBondContact O-OG 3.35Å |
| 17 | F | 62.4 | Low | 65.8 | Low | 63 Ų | 63 | 95.9 Ų | 95.9 | 28% | 0.276 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.5 | -41.2 | 179.2 | -72.1 | -62.7 | 0 | 0 | 0 | 113.1 | I13 I14 S15 L19 S20 G21 F29 F34 | I13-F17 HydrophobicContact CB-CE2 4.32Å; I13-F17 HydrophobicContact CD1-CE2 4.48Å; I13-F17 HydrophobicContact CG2-CD2 3.76Å; I13-F17 HydrophobicContact CG2-CE2 3.44Å; I13-F17 VanDerWaalsContact CG2-CE2 3.44Å; I13-F17 WeakPolarHBondContact O-CD2 3.42Å; I13-F17 PolarHBondContact O-N 3.37Å; I14-F17 PolarHBondContact O-N 3.49Å; S15-F17 VanDerWaalsContact C-N 3.29Å; S15-F17 PolarHBondContact O-N 3.08Å; F17-L19 VanDerWaalsContact C-N 3.25Å; F17-L19 PolarHBondContact O-N 3.24Å; F17-S20 PolarHBondContact O-N 3.48Å; F17-G21 PolarHBondContact O-N 2.81Å; F17-F29 HydrophobicContact CB-CZ 4.3Å; F17-F29 HydrophobicContact CD1-CD2 4.35Å; F17-F29 AromaticContact CD1-CE2 3.68Å; F17-F29 HydrophobicContact CD1-CE2 3.68Å; F17-F29 AromaticContact CD1-CZ 3.89Å; F17-F29 HydrophobicContact CD1-CZ 3.89Å; F17-F29 HydrophobicContact CE1-CE2 4.04Å; F17-F29 HydrophobicContact CG-CE2 4.43Å; F17-F29 HydrophobicContact CG-CZ 4.21Å; F17-F34 HydrophobicContact CD2-CE2 4.09Å; F17-F34 AromaticContact CD2-CZ 3.84Å; F17-F34 HydrophobicContact CD2-CZ 3.84Å; F17-F34 HydrophobicContact CE1-CE2 4.4Å; F17-F34 AromaticContact CE2-CE2 3.78Å; F17-F34 HydrophobicContact CE2-CE2 3.78Å; F17-F34 AromaticContact CE2-CZ 3.87Å; F17-F34 HydrophobicContact CE2-CZ 3.87Å; F17-F34 AromaticContact CZ-CE2 3.95Å; F17-F34 HydrophobicContact CZ-CE2 3.95Å; F17-F34 HydrophobicContact CZ-CZ 4.49Å |
| 18 | L | 66.1 | Low | 65.3 | Low | 125 Ų | 125 | 97 Ų | 97 | 65% | 0.654 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.5 | -40.1 | 171 | -72.3 | 177.2 | 0 | 0 | 0 | 111 | I14 S15 S20 G21 | I14-L18 HydrophobicContact CG2-CD1 4.15Å; I14-L18 HydrophobicContact CG2-CG 4.35Å; I14-L18 WeakPolarHBondContact O-CG 3.36Å; I14-L18 PolarHBondContact O-N 2.94Å; S15-L18 PolarHBondContact O-N 2.8Å; L18-S20 VanDerWaalsContact C-N 3.35Å; L18-G21 PolarHBondContact O-N 3.45Å |
| 19 | L | 64.5 | Low | 64.8 | Low | 132 Ų | 132 | 95 Ų | 95 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.5 | -30.5 | 177.7 | -163.1 | 71.9 | 0 | 0 | 0 | 112.9 | S15 I16 F17 V22 | S15-L19 WeakPolarHBondContact O-CB 3.34Å; S15-L19 PolarHBondContact O-N 3.49Å; I16-L19 PolarHBondContact O-N 3.13Å; F17-L19 VanDerWaalsContact C-N 3.25Å; F17-L19 PolarHBondContact O-N 3.24Å; L19-V22 WeakPolarHBondContact O-CG2 3.43Å |
| 20 | S | 60.7 | Low | 64.8 | Low | 70 Ų | 70 | 97.5 Ų | 97.5 | 49% | 0.49 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -78.8 | -29.4 | 178.7 | -54.8 | 0 | 0 | 0 | 0 | 112.5 | I16 F17 L18 V22 | I16-S20 WeakPolarHBondContact O-CB 3.26Å; I16-S20 PolarHBondContact O-N 2.91Å; I16-S20 PolarHBondContact O-OG 3.35Å; F17-S20 PolarHBondContact O-N 3.48Å; L18-S20 VanDerWaalsContact C-N 3.35Å; S20-V22 VanDerWaalsContact C-N 3.32Å; S20-V22 PolarHBondContact O-N 3.43Å |
| 21 | G | 56.2 | Low | 64.7 | Low | 52 Ų | 52 | 97.2 Ų | 97.2 | 54% | 0.536 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.4 | -11.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F17 L18 | F17-G21 PolarHBondContact O-N 2.81Å; L18-G21 PolarHBondContact O-N 3.45Å |
| 22 | V | 52.8 | Low | 64.9 | Low | 105 Ų | 105 | 98.1 Ų | 98.1 | 64% | 0.636 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -5.9 | -179 | -63.6 | 0 | 0 | 0 | 0 | 114.6 | L19 S20 G24 | L19-V22 WeakPolarHBondContact O-CG2 3.43Å; S20-V22 VanDerWaalsContact C-N 3.32Å; S20-V22 PolarHBondContact O-N 3.43Å; V22-G24 VanDerWaalsContact C-N 3.33Å; V22-G24 PolarHBondContact O-N 3.15Å |
| 23 | N | 54 | Low | 65.3 | Low | 130 Ų | 130 | 98.7 Ų | 98.7 | 70% | 0.695 | 57% | 0.572 | S | S | * | * | trans | -85 | 81.4 | 174.6 | -77.6 | 11.5 | 0 | 0 | 0 | 110 | E25 | N23-E25 PolarHBondContact O-N 2.9Š| ||
| 24 | G | 53.6 | Low | 65.5 | Low | 76 Ų | 76 | 97.8 Ų | 97.8 | 78% | 0.784 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 65.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | V22 | V22-G24 VanDerWaalsContact C-N 3.33Å; V22-G24 PolarHBondContact O-N 3.15Å |
| 25 | E | 58 | Low | 65.8 | Low | 195 Ų | 195 | 97.8 Ų | 97.8 | 91% | 0.911 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.6 | -6.4 | 167.2 | -107.8 | 179.5 | 171.1 | 0 | 0 | 116.2 | N23 | N23-E25 PolarHBondContact O-N 2.9Š|
| 26 | S | 56.8 | Low | 66.4 | Low | 81 Ų | 81 | 100 Ų | 100 | 57% | 0.566 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -152.3 | 136.9 | 164.2 | 50.2 | 0 | 0 | 0 | 0 | 108 | I28 | S26-I28 PolarHBondContact O-N 3.01Å; S26-I28 WeakPolarHBondContact OG-CG1 3.28Å |
| 27 | S | 56.5 | Low | 67.2 | Low | 122 Ų | 122 | 97 Ų | 97 | 85% | 0.853 | 56% | 0.563 | S | S | * | * | trans | -70.6 | 66.3 | 179.4 | 57.6 | 0 | 0 | 0 | 0 | 110.6 | F29 | S27-F29 PolarHBondContact O-N 3.15Å; S27-F29 VanDerWaalsContact O-N 3.12Å | ||
| 28 | I | 63.7 | Low | 68.3 | Low | 146 Ų | 146 | 98.1 Ų | 98.1 | 75% | 0.749 | 57% | 0.571 | S | S | * | * | trans | -61.4 | -19.8 | 179.6 | -63.7 | 167 | 0 | 0 | 0 | 110.5 | S26 | S26-I28 PolarHBondContact O-N 3.01Å; S26-I28 WeakPolarHBondContact OG-CG1 3.28Å | ||
| 29 | F | 63.6 | Low | 69.1 | Low | 61 Ų | 61 | 100 Ų | 100 | 27% | 0.268 | 57% | 0.57 | S | S | . | * | trans | -135.9 | 112.7 | -170.5 | -171.6 | -108.3 | 0 | 0 | 0 | 112.4 | F17 S27 V31 F34 | F17-F29 HydrophobicContact CB-CZ 4.3Å; F17-F29 HydrophobicContact CD1-CD2 4.35Å; F17-F29 AromaticContact CD1-CE2 3.68Å; F17-F29 HydrophobicContact CD1-CE2 3.68Å; F17-F29 AromaticContact CD1-CZ 3.89Å; F17-F29 HydrophobicContact CD1-CZ 3.89Å; F17-F29 HydrophobicContact CE1-CE2 4.04Å; F17-F29 HydrophobicContact CG-CE2 4.43Å; F17-F29 HydrophobicContact CG-CZ 4.21Å; S27-F29 PolarHBondContact O-N 3.15Å; S27-F29 VanDerWaalsContact O-N 3.12Å; F29-V31 HydrophobicContact CD1-CG2 3.79Å; F29-V31 HydrophobicContact CE1-CB 4.29Å; F29-V31 HydrophobicContact CE1-CG2 3.79Å; F29-V31 PolarHBondContact O-N 3.36Å; F29-F34 HydrophobicContact CE1-CB 4.24Å; F29-F34 HydrophobicContact CE1-CG 4.45Å; F29-F34 HydrophobicContact CE2-CB 3.67Å; F29-F34 AromaticContact CE2-CD2 3.83Å; F29-F34 HydrophobicContact CE2-CD2 3.83Å; F29-F34 AromaticContact CE2-CG 3.78Å; F29-F34 HydrophobicContact CE2-CG 3.78Å; F29-F34 HydrophobicContact CZ-CB 3.39Å; F29-F34 AromaticContact CZ-CD1 3.76Å; F29-F34 HydrophobicContact CZ-CD1 3.76Å; F29-F34 AromaticContact CZ-CD2 3.83Å; F29-F34 HydrophobicContact CZ-CD2 3.83Å; F29-F34 HydrophobicContact CZ-CE1 4.49Å; F29-F34 AromaticContact CZ-CG 3.37Å; F29-F34 HydrophobicContact CZ-CG 3.37Å | ||
| 30 | N | 75.4 | Confident | 70.2 | Confident | 86 Ų | 86 | 97.1 Ų | 97.1 | 46% | 0.46 | 56% | 0.558 | S | S | . | * | trans | -87.1 | 103.4 | 167.3 | -175.1 | -15.7 | 0 | 0 | 0 | 109.3 | V32 E33 F34 | N30-V32 PolarHBondContact O-N 3.03Å; N30-V32 VanDerWaalsContact OD1-CB 3.32Å; N30-V32 WeakPolarHBondContact OD1-CB 3.31Å; N30-V32 PolarHBondContact OD1-N 3.26Å; N30-E33 HydrophobicContact CB-CB 3.84Å; N30-E33 PolarHBondContact O-N 2.87Å; N30-E33 VanDerWaalsContact O-N 3.17Å; N30-E33 PolarHBondContact OD1-N 2.91Å; N30-F34 PolarHBondContact O-N 3.15Å | ||
| 31 | V | 75.4 | Confident | 71.4 | Confident | 81 Ų | 81 | 98.9 Ų | 98.9 | 49% | 0.491 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -55.5 | -37.5 | 178.8 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | F29 F34 I35 | F29-V31 HydrophobicContact CD1-CG2 3.79Å; F29-V31 HydrophobicContact CE1-CB 4.29Å; F29-V31 HydrophobicContact CE1-CG2 3.79Å; F29-V31 PolarHBondContact O-N 3.36Å; V31-F34 PolarHBondContact O-N 3.41Å; V31-I35 HydrophobicContact CG1-CD1 3.79Å; V31-I35 HydrophobicContact CG1-CG1 4.39Å; V31-I35 VanDerWaalsContact O-CG1 3.28Å; V31-I35 WeakPolarHBondContact O-CG1 3.23Å; V31-I35 PolarHBondContact O-N 3.43Å |
| 32 | V | 79.8 | Confident | 72.8 | Confident | 94 Ų | 94 | 99.8 Ų | 99.8 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.7 | -47.8 | 179.9 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | N30 F34 I35 L36 | N30-V32 PolarHBondContact O-N 3.03Å; N30-V32 VanDerWaalsContact OD1-CB 3.32Å; N30-V32 WeakPolarHBondContact OD1-CB 3.31Å; N30-V32 PolarHBondContact OD1-N 3.26Å; V32-F34 VanDerWaalsContact C-N 3.31Å; V32-F34 PolarHBondContact O-N 3.48Å; V32-I35 PolarHBondContact O-N 2.85Å; V32-L36 HydrophobicContact CG1-CD1 4.03Å; V32-L36 HydrophobicContact CG1-CG 4.44Å; V32-L36 WeakPolarHBondContact O-CB 3.4Å; V32-L36 VanDerWaalsContact O-CG 3.28Å; V32-L36 WeakPolarHBondContact O-CG 3.48Å; V32-L36 PolarHBondContact O-N 3.47Å |
| 33 | E | 81.5 | Confident | 74.3 | Confident | 135 Ų | 135 | 103.1 Ų | 103.1 | 63% | 0.631 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.4 | -40.9 | 177.9 | -171.7 | 175.4 | -180 | 0 | 0 | 111.7 | N30 L36 G37 | N30-E33 HydrophobicContact CB-CB 3.84Å; N30-E33 PolarHBondContact O-N 2.87Å; N30-E33 VanDerWaalsContact O-N 3.17Å; N30-E33 PolarHBondContact OD1-N 2.91Å; E33-L36 PolarHBondContact O-N 3.4Å; E33-G37 PolarHBondContact O-N 3.01Å |
| 34 | F | 79.1 | Confident | 75.8 | Confident | 63 Ų | 63 | 102.9 Ų | 102.9 | 28% | 0.276 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.8 | -48.1 | 175 | 174.4 | -100.6 | 0 | 0 | 0 | 112.6 | F17 F29 N30 V31 V32 L36 G37 L38 | F17-F34 HydrophobicContact CD2-CE2 4.09Å; F17-F34 AromaticContact CD2-CZ 3.84Å; F17-F34 HydrophobicContact CD2-CZ 3.84Å; F17-F34 HydrophobicContact CE1-CE2 4.4Å; F17-F34 AromaticContact CE2-CE2 3.78Å; F17-F34 HydrophobicContact CE2-CE2 3.78Å; F17-F34 AromaticContact CE2-CZ 3.87Å; F17-F34 HydrophobicContact CE2-CZ 3.87Å; F17-F34 AromaticContact CZ-CE2 3.95Å; F17-F34 HydrophobicContact CZ-CE2 3.95Å; F17-F34 HydrophobicContact CZ-CZ 4.49Å; F29-F34 HydrophobicContact CE1-CB 4.24Å; F29-F34 HydrophobicContact CE1-CG 4.45Å; F29-F34 HydrophobicContact CE2-CB 3.67Å; F29-F34 AromaticContact CE2-CD2 3.83Å; F29-F34 HydrophobicContact CE2-CD2 3.83Å; F29-F34 AromaticContact CE2-CG 3.78Å; F29-F34 HydrophobicContact CE2-CG 3.78Å; F29-F34 HydrophobicContact CZ-CB 3.39Å; F29-F34 AromaticContact CZ-CD1 3.76Å; F29-F34 HydrophobicContact CZ-CD1 3.76Å; F29-F34 AromaticContact CZ-CD2 3.83Å; F29-F34 HydrophobicContact CZ-CD2 3.83Å; F29-F34 HydrophobicContact CZ-CE1 4.49Å; F29-F34 AromaticContact CZ-CG 3.37Å; F29-F34 HydrophobicContact CZ-CG 3.37Å; N30-F34 PolarHBondContact O-N 3.15Å; V31-F34 PolarHBondContact O-N 3.41Å; V32-F34 VanDerWaalsContact C-N 3.31Å; V32-F34 PolarHBondContact O-N 3.48Å; F34-L36 VanDerWaalsContact C-N 3.31Å; F34-L36 PolarHBondContact O-N 2.99Å; F34-G37 PolarHBondContact O-N 3.29Å; F34-L38 HydrophobicContact CE1-CD1 4.15Å; F34-L38 HydrophobicContact CZ-CD1 4.07Å; F34-L38 WeakPolarHBondContact O-CB 3.46Å; F34-L38 PolarHBondContact O-N 3.28Å |
| 35 | I | 81.6 | Confident | 77.4 | Confident | 85 Ų | 85 | 108.6 Ų | 108.6 | 44% | 0.436 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 178.8 | -70.5 | 169.4 | 0 | 0 | 0 | 110.4 | V31 V32 L38 W39 | V31-I35 HydrophobicContact CG1-CD1 3.79Å; V31-I35 HydrophobicContact CG1-CG1 4.39Å; V31-I35 VanDerWaalsContact O-CG1 3.28Å; V31-I35 WeakPolarHBondContact O-CG1 3.23Å; V31-I35 PolarHBondContact O-N 3.43Å; V32-I35 PolarHBondContact O-N 2.85Å; I35-L38 PolarHBondContact O-N 3.42Å; I35-W39 WeakPolarHBondContact O-CB 3.31Å; I35-W39 PolarHBondContact O-N 2.94Å |
| 36 | L | 84.5 | Confident | 78.8 | Confident | 106 Ų | 106 | 103.1 Ų | 103.1 | 56% | 0.555 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.9 | -42.9 | 175.9 | -71.1 | 174.3 | 0 | 0 | 0 | 111.7 | V32 E33 F34 W39 T40 | V32-L36 HydrophobicContact CG1-CD1 4.03Å; V32-L36 HydrophobicContact CG1-CG 4.44Å; V32-L36 WeakPolarHBondContact O-CB 3.4Å; V32-L36 VanDerWaalsContact O-CG 3.28Å; V32-L36 WeakPolarHBondContact O-CG 3.48Å; V32-L36 PolarHBondContact O-N 3.47Å; E33-L36 PolarHBondContact O-N 3.4Å; F34-L36 VanDerWaalsContact C-N 3.31Å; F34-L36 PolarHBondContact O-N 2.99Å; L36-W39 PolarHBondContact O-N 3.26Å; L36-T40 WeakPolarHBondContact O-CB 3.33Å; L36-T40 PolarHBondContact O-N 3.47Å; L36-T40 PolarHBondContact O-OG1 2.75Å |
| 37 | G | 85 | Confident | 80.1 | Confident | 28 Ų | 28 | 100.6 Ų | 100.6 | 29% | 0.289 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E33 F34 T40 N41 | E33-G37 PolarHBondContact O-N 3.01Å; F34-G37 PolarHBondContact O-N 3.29Å; G37-T40 PolarHBondContact O-N 3.24Å; G37-N41 WeakPolarHBondContact O-CB 3.31Å; G37-N41 PolarHBondContact O-N 2.89Å; G37-N41 PolarHBondContact O-ND2 3.08Å |
| 38 | L | 84.6 | Confident | 81.4 | Confident | 88 Ų | 88 | 96.4 Ų | 96.4 | 46% | 0.461 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 177 | -172.6 | 147.3 | 0 | 0 | 0 | 111.2 | F34 I35 T40 N41 L42 | F34-L38 HydrophobicContact CE1-CD1 4.15Å; F34-L38 HydrophobicContact CZ-CD1 4.07Å; F34-L38 WeakPolarHBondContact O-CB 3.46Å; F34-L38 PolarHBondContact O-N 3.28Å; I35-L38 PolarHBondContact O-N 3.42Å; L38-T40 PolarHBondContact O-N 3Å; L38-N41 PolarHBondContact O-N 3.45Å; L38-L42 VanDerWaalsContact O-CB 3.31Å; L38-L42 WeakPolarHBondContact O-CB 3.21Å; L38-L42 PolarHBondContact O-N 3.33Å |
| 39 | W | 84.5 | Confident | 82.3 | Confident | 163 Ų | 163 | 93.5 Ų | 93.5 | 62% | 0.617 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62 | -42.5 | 176.1 | -94.3 | 119.6 | 0 | 0 | 0 | 112.7 | I35 L36 L42 Y43 | I35-W39 WeakPolarHBondContact O-CB 3.31Å; I35-W39 PolarHBondContact O-N 2.94Å; L36-W39 PolarHBondContact O-N 3.26Å; W39-L42 HydrophobicContact CE3-CD2 4.07Å; W39-L42 HydrophobicContact CH2-CD2 4.5Å; W39-L42 HydrophobicContact CZ3-CD2 3.82Å; W39-L42 PolarHBondContact O-N 3.5Å; W39-Y43 VanDerWaalsContact O-CB 3.23Å; W39-Y43 WeakPolarHBondContact O-CB 3.28Å; W39-Y43 PolarHBondContact O-N 3.41Å |
| 40 | T | 86.5 | Confident | 83.3 | Confident | 72 Ų | 72 | 97.5 Ų | 97.5 | 44% | 0.442 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.1 | -49.4 | 178.5 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | L36 G37 L38 L42 Y43 E44 | L36-T40 WeakPolarHBondContact O-CB 3.33Å; L36-T40 PolarHBondContact O-N 3.47Å; L36-T40 PolarHBondContact O-OG1 2.75Å; G37-T40 PolarHBondContact O-N 3.24Å; L38-T40 PolarHBondContact O-N 3Å; T40-L42 PolarHBondContact O-N 2.87Å; T40-Y43 PolarHBondContact O-N 3.42Å; T40-E44 WeakPolarHBondContact O-CG 3.47Å; T40-E44 PolarHBondContact O-N 2.84Å |
| 41 | N | 85.2 | Confident | 83.6 | Confident | 108 Ų | 108 | 102.4 Ų | 102.4 | 58% | 0.578 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.2 | -42.2 | 178.2 | -80.4 | -78.5 | 0 | 0 | 0 | 112.3 | G37 L38 R45 | G37-N41 WeakPolarHBondContact O-CB 3.31Å; G37-N41 PolarHBondContact O-N 2.89Å; G37-N41 PolarHBondContact O-ND2 3.08Å; L38-N41 PolarHBondContact O-N 3.45Å; N41-R45 VanDerWaalsContact O-CB 3.31Å; N41-R45 WeakPolarHBondContact O-CB 3.37Å; N41-R45 PolarHBondContact O-N 3.44Å |
| 42 | L | 85.9 | Confident | 83.8 | Confident | 71 Ų | 71 | 102.5 Ų | 102.5 | 37% | 0.372 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 176.9 | -179.8 | 62.7 | 0 | 0 | 0 | 110.9 | L38 W39 T40 R45 L46 | L38-L42 VanDerWaalsContact O-CB 3.31Å; L38-L42 WeakPolarHBondContact O-CB 3.21Å; L38-L42 PolarHBondContact O-N 3.33Å; W39-L42 HydrophobicContact CE3-CD2 4.07Å; W39-L42 HydrophobicContact CH2-CD2 4.5Å; W39-L42 HydrophobicContact CZ3-CD2 3.82Å; W39-L42 PolarHBondContact O-N 3.5Å; T40-L42 PolarHBondContact O-N 2.87Å; L42-R45 PolarHBondContact O-N 3.4Å; L42-L46 HydrophobicContact CD1-CD1 3.76Å; L42-L46 HydrophobicContact CD1-CG 3.96Å; L42-L46 HydrophobicContact CG-CD1 3.82Å; L42-L46 HydrophobicContact CG-CG 4.36Å; L42-L46 VanDerWaalsContact O-CB 3.31Å; L42-L46 WeakPolarHBondContact O-CB 3.28Å; L42-L46 VanDerWaalsContact O-CG 3.28Å; L42-L46 WeakPolarHBondContact O-CG 3.43Å; L42-L46 PolarHBondContact O-N 2.95Å |
| 43 | Y | 84.8 | Confident | 84 | Confident | 175 Ų | 175 | 101.6 Ų | 101.6 | 69% | 0.686 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.2 | -48.6 | 177.7 | 172 | -99.5 | 0 | 0 | 0 | 111.7 | W39 T40 R45 G47 | W39-Y43 VanDerWaalsContact O-CB 3.23Å; W39-Y43 WeakPolarHBondContact O-CB 3.28Å; W39-Y43 PolarHBondContact O-N 3.41Å; T40-Y43 PolarHBondContact O-N 3.42Å; Y43-R45 PolarHBondContact O-N 3.23Å; Y43-G47 PolarHBondContact O-N 2.93Å |
| 44 | E | 86.6 | Confident | 83.9 | Confident | 125 Ų | 125 | 98.1 Ų | 98.1 | 58% | 0.584 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.5 | -44.1 | 178.8 | -73.7 | -175.5 | 162.7 | 0 | 0 | 112 | T40 G47 G48 | T40-E44 WeakPolarHBondContact O-CG 3.47Å; T40-E44 PolarHBondContact O-N 2.84Å; E44-G47 PolarHBondContact O-N 3.37Å; E44-G48 PolarHBondContact O-N 3.29Å |
| 45 | R | 85.4 | Confident | 83.9 | Confident | 195 Ų | 195 | 100.7 Ų | 100.7 | 74% | 0.736 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.1 | -47.4 | -179.2 | -170.8 | 65.9 | 178.5 | -165.9 | 1.6 | 111.5 | N41 L42 Y43 G48 T49 | N41-R45 VanDerWaalsContact O-CB 3.31Å; N41-R45 WeakPolarHBondContact O-CB 3.37Å; N41-R45 PolarHBondContact O-N 3.44Å; L42-R45 PolarHBondContact O-N 3.4Å; Y43-R45 PolarHBondContact O-N 3.23Å; R45-G48 PolarHBondContact O-N 2.97Å; R45-T49 PolarHBondContact O-N 2.79Å; R45-T49 PolarHBondContact O-OG1 3.41Å |
| 46 | L | 88.1 | Confident | 84 | Confident | 80 Ų | 80 | 102.3 Ų | 102.3 | 42% | 0.419 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 176.2 | -71.8 | 176.6 | 0 | 0 | 0 | 110.5 | L42 G48 T49 W50 | L42-L46 HydrophobicContact CD1-CD1 3.76Å; L42-L46 HydrophobicContact CD1-CG 3.96Å; L42-L46 HydrophobicContact CG-CD1 3.82Å; L42-L46 HydrophobicContact CG-CG 4.36Å; L42-L46 VanDerWaalsContact O-CB 3.31Å; L42-L46 WeakPolarHBondContact O-CB 3.28Å; L42-L46 VanDerWaalsContact O-CG 3.28Å; L42-L46 WeakPolarHBondContact O-CG 3.43Å; L42-L46 PolarHBondContact O-N 2.95Å; L46-G48 VanDerWaalsContact C-N 3.31Å; L46-G48 PolarHBondContact O-N 2.84Å; L46-T49 PolarHBondContact O-N 2.98Å; L46-T49 VanDerWaalsContact O-N 3.15Å; L46-W50 WeakPolarHBondContact O-CB 3.48Å; L46-W50 PolarHBondContact O-N 2.69Å |
| 47 | G | 84.2 | Confident | 83.9 | Confident | 28 Ų | 28 | 99.5 Ų | 99.5 | 29% | 0.289 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.2 | -44.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y43 E44 R51 | Y43-G47 PolarHBondContact O-N 2.93Å; E44-G47 PolarHBondContact O-N 3.37Å; G47-R51 WeakPolarHBondContact O-CB 3.31Å; G47-R51 VanDerWaalsContact O-CG 3.26Å; G47-R51 WeakPolarHBondContact O-CG 3.2Å; G47-R51 PolarHBondContact O-N 2.85Å |
| 48 | G | 83.3 | Confident | 83.6 | Confident | 35 Ų | 35 | 101.5 Ų | 101.5 | 36% | 0.361 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -48.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E44 R45 L46 R51 C52 | E44-G48 PolarHBondContact O-N 3.29Å; R45-G48 PolarHBondContact O-N 2.97Å; L46-G48 VanDerWaalsContact C-N 3.31Å; L46-G48 PolarHBondContact O-N 2.84Å; G48-R51 PolarHBondContact O-N 3.02Å; G48-C52 PolarHBondContact O-N 2.99Å; G48-C52 VanDerWaalsContact O-N 3.08Å; G48-C52 PolarHBondContact O-SG 2.95Å |
| 49 | T | 83.8 | Confident | 83.4 | Confident | 84 Ų | 84 | 101.4 Ų | 101.4 | 52% | 0.515 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 178.4 | -62.6 | 0 | 0 | 0 | 0 | 112.3 | R45 L46 R51 C52 L53 | R45-T49 PolarHBondContact O-N 2.79Å; R45-T49 PolarHBondContact O-OG1 3.41Å; L46-T49 PolarHBondContact O-N 2.98Å; L46-T49 VanDerWaalsContact O-N 3.15Å; T49-R51 PolarHBondContact O-N 3.29Å; T49-C52 PolarHBondContact O-N 3.22Å; T49-L53 PolarHBondContact O-N 3.4Å |
| 50 | W | 84 | Confident | 83.1 | Confident | 145 Ų | 145 | 102.7 Ų | 102.7 | 55% | 0.549 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -38.6 | 177.3 | -75.1 | 115.7 | 0 | 0 | 0 | 112 | L46 C52 L53 L54 | L46-W50 WeakPolarHBondContact O-CB 3.48Å; L46-W50 PolarHBondContact O-N 2.69Å; W50-C52 PolarHBondContact O-N 2.87Å; W50-L53 HydrophobicContact CE3-CD2 3.57Å; W50-L53 HydrophobicContact CH2-CD2 4.45Å; W50-L53 HydrophobicContact CZ3-CD2 3.39Å; W50-L53 PolarHBondContact O-N 3.28Å; W50-L54 WeakPolarHBondContact O-CB 3.32Å; W50-L54 VanDerWaalsContact O-CG 3.25Å; W50-L54 WeakPolarHBondContact O-CG 3.46Å; W50-L54 PolarHBondContact O-N 3.39Å |
| 51 | R | 81.8 | Confident | 82.8 | Confident | 190 Ų | 190 | 104.7 Ų | 104.7 | 72% | 0.717 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59 | -46 | 172.4 | -78.5 | 176.6 | -178.6 | -176.4 | 2.7 | 111.8 | G47 G48 T49 L53 L54 L55 | G47-R51 WeakPolarHBondContact O-CB 3.31Å; G47-R51 VanDerWaalsContact O-CG 3.26Å; G47-R51 WeakPolarHBondContact O-CG 3.2Å; G47-R51 PolarHBondContact O-N 2.85Å; G48-R51 PolarHBondContact O-N 3.02Å; T49-R51 PolarHBondContact O-N 3.29Å; R51-L53 VanDerWaalsContact C-N 3.34Å; R51-L53 PolarHBondContact O-N 3.17Å; R51-L54 PolarHBondContact O-N 3.47Å; R51-L55 WeakPolarHBondContact O-CG 3.27Å; R51-L55 PolarHBondContact O-N 3Å; R51-L55 VanDerWaalsContact O-N 3.13Å |
| 52 | C | 79.7 | Confident | 82.2 | Confident | 83 Ų | 83 | 99.9 Ų | 99.9 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.3 | -42.7 | 176 | -69.8 | 0 | 0 | 0 | 0 | 112 | G48 T49 W50 L55 | G48-C52 PolarHBondContact O-N 2.99Å; G48-C52 VanDerWaalsContact O-N 3.08Å; G48-C52 PolarHBondContact O-SG 2.95Å; T49-C52 PolarHBondContact O-N 3.22Å; W50-C52 PolarHBondContact O-N 2.87Å; C52-L55 PolarHBondContact O-N 3.42Å |
| 53 | L | 83.7 | Confident | 81.7 | Confident | 74 Ų | 74 | 96.6 Ų | 96.6 | 39% | 0.387 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 176.5 | -175.2 | 70.3 | 0 | 0 | 0 | 111.2 | T49 W50 R51 L55 V56 L57 | T49-L53 PolarHBondContact O-N 3.4Å; W50-L53 HydrophobicContact CE3-CD2 3.57Å; W50-L53 HydrophobicContact CH2-CD2 4.45Å; W50-L53 HydrophobicContact CZ3-CD2 3.39Å; W50-L53 PolarHBondContact O-N 3.28Å; R51-L53 VanDerWaalsContact C-N 3.34Å; R51-L53 PolarHBondContact O-N 3.17Å; L53-L55 PolarHBondContact O-N 3.44Å; L53-V56 WeakPolarHBondContact O-CG2 3.4Å; L53-V56 PolarHBondContact O-N 3.49Å; L53-L57 WeakPolarHBondContact O-CB 3.32Å; L53-L57 PolarHBondContact O-N 2.9Å |
| 54 | L | 79.7 | Confident | 81 | Confident | 62 Ų | 62 | 96.2 Ų | 96.2 | 33% | 0.325 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.3 | -20.5 | -178.7 | -69.2 | 175 | 0 | 0 | 0 | 113.6 | W50 R51 L57 K64 | W50-L54 WeakPolarHBondContact O-CB 3.32Å; W50-L54 VanDerWaalsContact O-CG 3.25Å; W50-L54 WeakPolarHBondContact O-CG 3.46Å; W50-L54 PolarHBondContact O-N 3.39Å; R51-L54 PolarHBondContact O-N 3.47Å; L54-L57 HydrophobicContact CD2-CD2 4.11Å; L54-K64 PolarHBondContact O-N 3.06Å; L54-K64 VanDerWaalsContact O-N 3.15Å |
| 55 | L | 79.5 | Confident | 80.2 | Confident | 117 Ų | 117 | 97.1 Ų | 97.1 | 61% | 0.613 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -73.1 | -32.5 | 172.8 | -75.2 | 172.9 | 0 | 0 | 0 | 112.9 | R51 C52 L53 K64 | R51-L55 WeakPolarHBondContact O-CG 3.27Å; R51-L55 PolarHBondContact O-N 3Å; R51-L55 VanDerWaalsContact O-N 3.13Å; C52-L55 PolarHBondContact O-N 3.42Å; L53-L55 PolarHBondContact O-N 3.44Å; L55-K64 HydrophobicContact CD2-CD 4.16Å |
| 56 | V | 82.5 | Confident | 79.4 | Confident | 119 Ų | 119 | 92.2 Ų | 92.2 | 72% | 0.721 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -99.7 | -17.1 | -179.9 | -62.2 | 0 | 0 | 0 | 0 | 113 | L53 | L53-V56 WeakPolarHBondContact O-CG2 3.4Å; L53-V56 PolarHBondContact O-N 3.49Å |
| 57 | L | 82.4 | Confident | 78.3 | Confident | 47 Ų | 47 | 91.2 Ų | 91.2 | 25% | 0.246 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -65.5 | 131.6 | 180 | -163.2 | 71.9 | 0 | 0 | 0 | 109.8 | L53 L54 L61 G63 | L53-L57 WeakPolarHBondContact O-CB 3.32Å; L53-L57 PolarHBondContact O-N 2.9Å; L54-L57 HydrophobicContact CD2-CD2 4.11Å; L57-L61 HydrophobicContact CD1-CB 4.21Å; L57-L61 HydrophobicContact CD1-CD1 4.25Å; L57-L61 HydrophobicContact CD2-CB 4.08Å; L57-L61 WeakPolarHBondContact CD2-O 2.89Å; L57-L61 HydrophobicContact CG-CB 3.94Å; L57-G63 WeakPolarHBondContact O-CA 3.44Å |
| 58 | P | 79 | Confident | 77.4 | Confident | 70 Ų | 70 | 95.4 Ų | 95.4 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | trans | -61.2 | 149.7 | 178.2 | 24.2 | -32.8 | 0 | 0 | 0 | 111.2 | E60 L61 G63 | P58-E60 PolarHBondContact O-N 3.2Å; P58-E60 VanDerWaalsContact O-N 3.14Å; P58-L61 HydrophobicContact CG-CB 4.28Å; P58-L61 HydrophobicContact CG-CD1 3.87Å; P58-L61 HydrophobicContact CG-CG 4.06Å; P58-L61 PolarHBondContact O-N 3.41Å; P58-G63 PolarHBondContact O-N 3.28Å | ||
| 59 | E | 80.4 | Confident | 76.5 | Confident | 87 Ų | 87 | 101.1 Ų | 101.1 | 41% | 0.407 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -60.4 | -26.8 | -175.7 | -64.7 | -176.9 | -175.1 | 0 | 0 | 113 | L61 G62 K65 N66 | E59-L61 VanDerWaalsContact C-N 3.32Å; E59-L61 PolarHBondContact O-N 3.48Å; E59-G62 PolarHBondContact O-N 3.03Å; E59-K65 HydrophobicContact CG-CB 4.21Å; E59-K65 HydrophobicContact CG-CG 4.46Å; E59-K65 WeakPolarHBondContact OE1-CD 3.29Å; E59-K65 WeakPolarHBondContact OE1-CE 3.46Å; E59-K65 WeakPolarHBondContact OE1-CG 3.37Å; E59-K65 IonicContact OE1-NZ 2.7Å; E59-K65 PolarHBondContact OE1-NZ 3.25Å; E59-K65 IonicContact OE2-NZ 3.73Å; E59-N66 WeakPolarHBondContact O-CB 3.2Å; E59-N66 PolarHBondContact O-ND2 3.02Å |
| 60 | E | 78.6 | Confident | 75.5 | Confident | 190 Ų | 190 | 101.7 Ų | 101.7 | 89% | 0.888 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -67.4 | -29 | 176.4 | -62.1 | 176 | -171.7 | 0 | 0 | 113.4 | P58 | P58-E60 PolarHBondContact O-N 3.2Å; P58-E60 VanDerWaalsContact O-N 3.14Å |
| 61 | L | 79.7 | Confident | 74.5 | Confident | 114 Ų | 114 | 103.4 Ų | 103.4 | 60% | 0.597 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -97.5 | 10 | 178.4 | -63.5 | -179.1 | 0 | 0 | 0 | 112.7 | L57 P58 E59 | L57-L61 HydrophobicContact CD1-CB 4.21Å; L57-L61 HydrophobicContact CD1-CD1 4.25Å; L57-L61 HydrophobicContact CD2-CB 4.08Å; L57-L61 WeakPolarHBondContact CD2-O 2.89Å; L57-L61 HydrophobicContact CG-CB 3.94Å; P58-L61 HydrophobicContact CG-CB 4.28Å; P58-L61 HydrophobicContact CG-CD1 3.87Å; P58-L61 HydrophobicContact CG-CG 4.06Å; P58-L61 PolarHBondContact O-N 3.41Å; E59-L61 VanDerWaalsContact C-N 3.32Å; E59-L61 PolarHBondContact O-N 3.48Å |
| 62 | G | 72.8 | Confident | 73.7 | Confident | 7 Ų | 7 | 100 Ų | 100 | 7% | 0.072 | 52% | 0.52 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 29.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | E59 N66 | E59-G62 PolarHBondContact O-N 3.03Å; G62-N66 CarbonylContact C-O 3.23Å; G62-N66 VanDerWaalsContact C-O 3.23Å; G62-N66 WeakPolarHBondContact CA-O 3.44Å |
| 63 | G | 75.2 | Confident | 72.6 | Confident | 1 Ų | 1 | 101 Ų | 101 | 1% | 0.01 | 52% | 0.524 | C | S | . | . | trans | -62 | -173.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L57 P58 K65 N66 | L57-G63 WeakPolarHBondContact O-CA 3.44Å; P58-G63 PolarHBondContact O-N 3.28Å; G63-K65 PolarHBondContact O-N 3.45Å; G63-N66 CarbonylContact O-C 3.48Å; G63-N66 PolarHBondContact O-N 3.26Å | ||
| 64 | K | 69.9 | Low | 70.5 | Confident | 167 Ų | 167 | 110.2 Ų | 110.2 | 73% | 0.726 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -38.4 | -36.4 | -170.4 | -170.1 | 179.8 | 179.3 | -178.5 | 0 | 117.3 | L54 L55 | L54-K64 PolarHBondContact O-N 3.06Å; L54-K64 VanDerWaalsContact O-N 3.15Å; L55-K64 HydrophobicContact CD2-CD 4.16Å |
| 65 | K | 71.2 | Confident | 70 | Confident | 145 Ų | 145 | 112.6 Ų | 112.6 | 63% | 0.63 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -18.9 | -177.8 | -62.3 | -161.6 | -163.8 | 130.3 | 0 | 115.2 | E59 G63 | E59-K65 HydrophobicContact CG-CB 4.21Å; E59-K65 HydrophobicContact CG-CG 4.46Å; E59-K65 WeakPolarHBondContact OE1-CD 3.29Å; E59-K65 WeakPolarHBondContact OE1-CE 3.46Å; E59-K65 WeakPolarHBondContact OE1-CG 3.37Å; E59-K65 IonicContact OE1-NZ 2.7Å; E59-K65 PolarHBondContact OE1-NZ 3.25Å; E59-K65 IonicContact OE2-NZ 3.73Å; G63-K65 PolarHBondContact O-N 3.45Å |
| 66 | N | 67.1 | Low | 69.5 | Low | 92 Ų | 92 | 112.4 Ų | 112.4 | 49% | 0.492 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -126.6 | 69.6 | -178.2 | -72.2 | -25.9 | 0 | 0 | 0 | 110.4 | E59 G62 G63 C68 | E59-N66 WeakPolarHBondContact O-CB 3.2Å; E59-N66 PolarHBondContact O-ND2 3.02Å; G62-N66 CarbonylContact C-O 3.23Å; G62-N66 VanDerWaalsContact C-O 3.23Å; G62-N66 WeakPolarHBondContact CA-O 3.44Å; G63-N66 CarbonylContact O-C 3.48Å; G63-N66 PolarHBondContact O-N 3.26Å; N66-C68 PolarHBondContact O-N 3.47Å |
| 67 | P | 66.2 | Low | 68.8 | Low | 58 Ų | 58 | 112 Ų | 112 | 38% | 0.377 | 57% | 0.567 | S | S | . | * | trans | -57.6 | 132.8 | 176.1 | 26.2 | -33.7 | 0 | 0 | 0 | 110.6 | Y69 | P67-Y69 HydrophobicContact CB-CD1 4.32Å; P67-Y69 HydrophobicContact CB-CE1 4.13Å; P67-Y69 PolarHBondContact O-N 2.95Å; P67-Y69 VanDerWaalsContact O-N 3.11Å | ||
| 68 | C | 65.6 | Low | 68 | Low | 116 Ų | 116 | 115.8 Ų | 115.8 | 78% | 0.784 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -63.7 | -14.2 | 177 | -61.3 | 0 | 0 | 0 | 0 | 113.6 | N66 | N66-C68 PolarHBondContact O-N 3.47Š|
| 69 | Y | 64.6 | Low | 67.3 | Low | 155 Ų | 155 | 118.7 Ų | 118.7 | 61% | 0.608 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -105 | 127.4 | 172.5 | 58.4 | -85.6 | 0 | 0 | 0 | 109.4 | P67 K71 | P67-Y69 HydrophobicContact CB-CD1 4.32Å; P67-Y69 HydrophobicContact CB-CE1 4.13Å; P67-Y69 PolarHBondContact O-N 2.95Å; P67-Y69 VanDerWaalsContact O-N 3.11Å; Y69-K71 PolarHBondContact O-N 2.75Å |
| 70 | N | 62.5 | Low | 66.5 | Low | 97 Ų | 97 | 120.8 Ų | 120.8 | 52% | 0.519 | 61% | 0.607 | S | S | . | * | trans | -72.5 | 122 | 176.3 | -177.7 | 1.8 | 0 | 0 | 0 | 109.5 | T72 T73 | N70-T72 PolarHBondContact ND2-OG1 3.12Å; N70-T72 PolarHBondContact O-N 3.36Å; N70-T72 VanDerWaalsContact O-N 3.11Å; N70-T72 PolarHBondContact OD1-N 2.92Å; N70-T72 PolarHBondContact OD1-OG1 2.73Å; N70-T73 PolarHBondContact O-N 3.03Å; N70-T73 VanDerWaalsContact O-N 3.13Å; N70-T73 PolarHBondContact O-OG1 2.98Å | ||
| 71 | K | 63 | Low | 65.6 | Low | 180 Ų | 180 | 115.9 Ų | 115.9 | 78% | 0.783 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -12.2 | 174.5 | -70.4 | -169.7 | 178.1 | -178.4 | 0 | 114.1 | Y69 | Y69-K71 PolarHBondContact O-N 2.75Š|
| 72 | T | 64.5 | Low | 64.5 | Low | 118 Ų | 118 | 116 Ų | 116 | 72% | 0.724 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -7.6 | 174.8 | 29.1 | 0 | 0 | 0 | 0 | 114.5 | N70 | N70-T72 PolarHBondContact ND2-OG1 3.12Å; N70-T72 PolarHBondContact O-N 3.36Å; N70-T72 VanDerWaalsContact O-N 3.11Å; N70-T72 PolarHBondContact OD1-N 2.92Å; N70-T72 PolarHBondContact OD1-OG1 2.73Å |
| 73 | T | 55.9 | Low | 63.8 | Low | 105 Ų | 105 | 125.1 Ų | 125.1 | 64% | 0.644 | 63% | 0.629 | S | S | * | * | trans | -97.5 | 94 | 169 | 22 | 0 | 0 | 0 | 0 | 108.8 | N70 | N70-T73 PolarHBondContact O-N 3.03Å; N70-T73 VanDerWaalsContact O-N 3.13Å; N70-T73 PolarHBondContact O-OG1 2.98Å | ||
| 74 | Q | 40.4 | Very low | 62.8 | Low | 267 Ų | 267 | 136.4 Ų | 136.4 | 100% | 1.248 | 69% | 0.685 | S | S | * | * | trans | 19.1 | 0 | 162.6 | -75.6 | 179.3 | -70.2 | 0 | 0 | 119.2 |
Retrieved 74 of 74 residues in 83.4 ms
(Link to these results)