| 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 | 45.3 | Very low | 68.9 | Low | 242 Ų | 242 | 109.5 Ų | 109.5 | 100% | 1.192 | 62% | 0.618 | S | S | * | * | 0 | 22.5 | 0 | -89.5 | 171.2 | 126.7 | 0 | 0 | 113.6 | |||||
| 2 | S | 56.8 | Low | 70 | Confident | 93 Ų | 93 | 109.8 Ų | 109.8 | 65% | 0.65 | 62% | 0.616 | S | S | * | * | trans | -107.5 | -6.3 | -164.3 | -166.9 | 0 | 0 | 0 | 0 | 117 | T5 | S2-T5 PolarHBondContact O-OG1 2.96Š| ||
| 3 | T | 55.6 | Low | 71 | Confident | 108 Ų | 108 | 109.3 Ų | 109.3 | 66% | 0.663 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -91.7 | -25.3 | -174.1 | 42.9 | 0 | 0 | 0 | 0 | 113.7 | T6 | T3-T6 PolarHBondContact O-OG1 3.34Å |
| 4 | N | 63.8 | Low | 71.4 | Confident | 121 Ų | 121 | 107.9 Ų | 107.9 | 65% | 0.647 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -75.6 | -32.5 | -179.6 | -76.2 | -3.4 | 0 | 0 | 0 | 112.4 | I8 | N4-I8 WeakPolarHBondContact O-CD1 3.28Å; N4-I8 VanDerWaalsContact O-CG1 3.24Å; N4-I8 WeakPolarHBondContact O-CG1 3.2Å; N4-I8 PolarHBondContact O-N 3.49Å |
| 5 | T | 68.4 | Low | 71.7 | Confident | 84 Ų | 84 | 107.9 Ų | 107.9 | 52% | 0.515 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.6 | -37.2 | -180 | 34 | 0 | 0 | 0 | 0 | 112.4 | S2 S9 | S2-T5 PolarHBondContact O-OG1 2.96Å; T5-S9 WeakPolarHBondContact O-CB 3.26Å; T5-S9 PolarHBondContact O-N 3.06Å; T5-S9 VanDerWaalsContact O-N 3.09Å; T5-S9 PolarHBondContact O-OG 3.12Å |
| 6 | T | 76.4 | Confident | 72.2 | Confident | 86 Ų | 86 | 107.5 Ų | 107.5 | 53% | 0.528 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.7 | -41.5 | 178.7 | 42.5 | 0 | 0 | 0 | 0 | 112.5 | T3 S9 V10 | T3-T6 PolarHBondContact O-OG1 3.34Å; T6-S9 PolarHBondContact O-N 3.31Å; T6-V10 WeakPolarHBondContact O-CG2 2.85Å; T6-V10 PolarHBondContact O-N 3.47Å; T6-V10 VanDerWaalsContact O-N 3.13Å |
| 7 | V | 76.3 | Confident | 72.1 | Confident | 92 Ų | 92 | 108.5 Ų | 108.5 | 56% | 0.558 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.5 | -43.6 | 178.5 | 179 | 0 | 0 | 0 | 0 | 111.2 | S9 V10 F11 | V7-S9 VanDerWaalsContact C-N 3.33Å; V7-S9 PolarHBondContact O-N 2.78Å; V7-V10 PolarHBondContact O-N 3.28Å; V7-F11 PolarHBondContact O-N 2.84Å |
| 8 | I | 79 | Confident | 71.8 | Confident | 102 Ų | 102 | 108.2 Ų | 108.2 | 52% | 0.523 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.9 | -42.6 | 177.6 | -67.2 | 167.3 | 0 | 0 | 0 | 110.7 | N4 V10 F11 L12 | N4-I8 WeakPolarHBondContact O-CD1 3.28Å; N4-I8 VanDerWaalsContact O-CG1 3.24Å; N4-I8 WeakPolarHBondContact O-CG1 3.2Å; N4-I8 PolarHBondContact O-N 3.49Å; I8-V10 PolarHBondContact O-N 2.65Å; I8-F11 PolarHBondContact O-N 3.49Å; I8-L12 HydrophobicContact CG2-CD1 3.95Å; I8-L12 WeakPolarHBondContact O-CG 3.2Å; I8-L12 PolarHBondContact O-N 2.88Å |
| 9 | S | 76.5 | Confident | 71.6 | Confident | 65 Ų | 65 | 109.2 Ų | 109.2 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.2 | -43.2 | 177.5 | -65.5 | 0 | 0 | 0 | 0 | 112.8 | T5 T6 V7 L12 I13 | T5-S9 WeakPolarHBondContact O-CB 3.26Å; T5-S9 PolarHBondContact O-N 3.06Å; T5-S9 VanDerWaalsContact O-N 3.09Å; T5-S9 PolarHBondContact O-OG 3.12Å; T6-S9 PolarHBondContact O-N 3.31Å; V7-S9 VanDerWaalsContact C-N 3.33Å; V7-S9 PolarHBondContact O-N 2.78Å; S9-L12 PolarHBondContact O-N 3.41Å; S9-I13 VanDerWaalsContact O-CG1 3.31Å; S9-I13 WeakPolarHBondContact O-CG1 3.36Å; S9-I13 PolarHBondContact O-N 2.96Å; S9-I13 VanDerWaalsContact O-N 3.11Å |
| 10 | V | 80.8 | Confident | 71.4 | Confident | 84 Ų | 84 | 108.3 Ų | 108.3 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.7 | -41.9 | 177.5 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | T6 V7 I8 L12 I13 I14 | T6-V10 WeakPolarHBondContact O-CG2 2.85Å; T6-V10 PolarHBondContact O-N 3.47Å; T6-V10 VanDerWaalsContact O-N 3.13Å; V7-V10 PolarHBondContact O-N 3.28Å; I8-V10 PolarHBondContact O-N 2.65Å; V10-L12 VanDerWaalsContact C-N 3.33Å; V10-L12 PolarHBondContact O-N 3.36Å; V10-I13 PolarHBondContact O-N 3.26Å; V10-I14 HydrophobicContact CG1-CD1 4.06Å; V10-I14 WeakPolarHBondContact O-CG1 3.31Å; V10-I14 PolarHBondContact O-N 3.45Å |
| 11 | F | 78.5 | Confident | 71 | Confident | 128 Ų | 128 | 108.3 Ų | 108.3 | 56% | 0.561 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.6 | -40.3 | 178.8 | -134.6 | -88.1 | 0 | 0 | 0 | 112.2 | V7 I8 I14 H15 | V7-F11 PolarHBondContact O-N 2.84Å; I8-F11 PolarHBondContact O-N 3.49Å; F11-I14 PolarHBondContact O-N 3.26Å; F11-H15 AromaticContact CD1-CE1 3.85Å; F11-H15 AromaticContact CE1-CE1 3.57Å; F11-H15 AromaticContact CE1-NE2 3.87Å; F11-H15 PolarHBondContact O-N 3.38Å; F11-H15 VanDerWaalsContact O-N 3.14Å |
| 12 | L | 82.1 | Confident | 71.6 | Confident | 113 Ų | 113 | 101.3 Ų | 101.3 | 59% | 0.592 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.4 | -40.4 | 176.4 | -75.7 | 167.9 | 0 | 0 | 0 | 112.5 | I8 S9 V10 H15 L16 | I8-L12 HydrophobicContact CG2-CD1 3.95Å; I8-L12 WeakPolarHBondContact O-CG 3.2Å; I8-L12 PolarHBondContact O-N 2.88Å; S9-L12 PolarHBondContact O-N 3.41Å; V10-L12 VanDerWaalsContact C-N 3.33Å; V10-L12 PolarHBondContact O-N 3.36Å; L12-H15 PolarHBondContact O-N 3.49Å; L12-L16 WeakPolarHBondContact O-CB 3.41Å; L12-L16 PolarHBondContact O-N 3.3Å |
| 13 | I | 83.2 | Confident | 71.2 | Confident | 103 Ų | 103 | 101.4 Ų | 101.4 | 53% | 0.528 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 177.5 | -68.5 | 164.4 | 0 | 0 | 0 | 110.7 | S9 V10 H15 L16 E17 | S9-I13 VanDerWaalsContact O-CG1 3.31Å; S9-I13 WeakPolarHBondContact O-CG1 3.36Å; S9-I13 PolarHBondContact O-N 2.96Å; S9-I13 VanDerWaalsContact O-N 3.11Å; V10-I13 PolarHBondContact O-N 3.26Å; I13-H15 PolarHBondContact O-N 2.9Å; I13-L16 PolarHBondContact O-N 3.41Å; I13-E17 HydrophobicContact CG2-CG 4.49Å; I13-E17 WeakPolarHBondContact O-CG 3.32Å; I13-E17 PolarHBondContact O-N 3.02Å |
| 14 | I | 77.5 | Confident | 70.7 | Confident | 90 Ų | 90 | 102.8 Ų | 102.8 | 46% | 0.462 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.7 | -42.9 | 179.3 | -67.1 | 166 | 0 | 0 | 0 | 111.1 | V10 F11 L18 | V10-I14 HydrophobicContact CG1-CD1 4.06Å; V10-I14 WeakPolarHBondContact O-CG1 3.31Å; V10-I14 PolarHBondContact O-N 3.45Å; F11-I14 PolarHBondContact O-N 3.26Å; I14-L18 HydrophobicContact CG2-CD1 4.05Å; I14-L18 WeakPolarHBondContact O-CB 3.48Å; I14-L18 PolarHBondContact O-N 3.44Å; I14-L18 VanDerWaalsContact O-N 3.08Å |
| 15 | H | 75.3 | Confident | 69.7 | Low | 108 Ų | 108 | 101.4 Ų | 101.4 | 50% | 0.5 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.7 | -37 | 177.6 | -79.9 | 25.8 | 0 | 0 | 0 | 112.2 | F11 L12 I13 L18 F19 | F11-H15 AromaticContact CD1-CE1 3.85Å; F11-H15 AromaticContact CE1-CE1 3.57Å; F11-H15 AromaticContact CE1-NE2 3.87Å; F11-H15 PolarHBondContact O-N 3.38Å; F11-H15 VanDerWaalsContact O-N 3.14Å; L12-H15 PolarHBondContact O-N 3.49Å; I13-H15 PolarHBondContact O-N 2.9Å; H15-L18 PolarHBondContact O-N 3.11Å; H15-F19 WeakPolarHBondContact O-CB 3.42Å; H15-F19 PolarHBondContact O-N 3.47Å |
| 16 | L | 79.9 | Confident | 68.4 | Low | 101 Ų | 101 | 105.4 Ų | 105.4 | 53% | 0.529 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.8 | -43.4 | 176.6 | -171.8 | 67.5 | 0 | 0 | 0 | 111.7 | L12 I13 F19 I20 | L12-L16 WeakPolarHBondContact O-CB 3.41Å; L12-L16 PolarHBondContact O-N 3.3Å; I13-L16 PolarHBondContact O-N 3.41Å; L16-F19 PolarHBondContact O-N 3.3Å; L16-I20 HydrophobicContact CG-CD1 4.05Å; L16-I20 VanDerWaalsContact O-CG1 3.26Å; L16-I20 WeakPolarHBondContact O-CG1 3.4Å; L16-I20 PolarHBondContact O-N 3.46Å |
| 17 | E | 70.3 | Confident | 66.4 | Low | 124 Ų | 124 | 108.5 Ų | 108.5 | 58% | 0.579 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -59.5 | -49.1 | 174.4 | -74.9 | -88.7 | 154.3 | 0 | 0 | 111.5 | I13 F19 I20 V21 | I13-E17 HydrophobicContact CG2-CG 4.49Å; I13-E17 WeakPolarHBondContact O-CG 3.32Å; I13-E17 PolarHBondContact O-N 3.02Å; E17-F19 VanDerWaalsContact C-N 3.28Å; E17-F19 PolarHBondContact O-N 3.47Å; E17-I20 PolarHBondContact O-N 3.39Å; E17-V21 WeakPolarHBondContact O-CG2 3.24Å; E17-V21 PolarHBondContact O-N 3.18Å |
| 18 | L | 66.3 | Low | 64.7 | Low | 104 Ų | 104 | 110 Ų | 110 | 55% | 0.545 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -59.9 | -39 | 175.6 | -86.1 | 159.7 | 0 | 0 | 0 | 112.3 | I14 H15 S22 | I14-L18 HydrophobicContact CG2-CD1 4.05Å; I14-L18 WeakPolarHBondContact O-CB 3.48Å; I14-L18 PolarHBondContact O-N 3.44Å; I14-L18 VanDerWaalsContact O-N 3.08Å; H15-L18 PolarHBondContact O-N 3.11Å; L18-S22 WeakPolarHBondContact O-CB 3.39Å; L18-S22 PolarHBondContact O-N 3Å; L18-S22 PolarHBondContact O-OG 3.25Å |
| 19 | F | 67.9 | Low | 62.7 | Low | 126 Ų | 126 | 111.5 Ų | 111.5 | 55% | 0.553 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.4 | -43.7 | 177.8 | -171.3 | -118.1 | 0 | 0 | 0 | 111.5 | H15 L16 E17 V21 S22 L23 | H15-F19 WeakPolarHBondContact O-CB 3.42Å; H15-F19 PolarHBondContact O-N 3.47Å; L16-F19 PolarHBondContact O-N 3.3Å; E17-F19 VanDerWaalsContact C-N 3.28Å; E17-F19 PolarHBondContact O-N 3.47Å; F19-V21 PolarHBondContact O-N 3.33Å; F19-S22 CarbonylContact O-C 3.57Å; F19-S22 PolarHBondContact O-N 3.13Å; F19-S22 VanDerWaalsContact O-N 3.12Å; F19-L23 HydrophobicContact CD1-CD1 3.44Å; F19-L23 VanDerWaalsContact CD1-CD1 3.44Å; F19-L23 HydrophobicContact CD2-CD1 4.18Å; F19-L23 HydrophobicContact CE1-CD1 3.02Å; F19-L23 HydrophobicContact CE1-CG 4.27Å; F19-L23 HydrophobicContact CE2-CD1 3.82Å; F19-L23 HydrophobicContact CE2-CG 4.33Å; F19-L23 HydrophobicContact CG-CD1 4.01Å; F19-L23 HydrophobicContact CZ-CD1 3.23Å; F19-L23 HydrophobicContact CZ-CG 4.14Å; F19-L23 VanDerWaalsContact O-CB 3.28Å; F19-L23 WeakPolarHBondContact O-CB 3.35Å; F19-L23 PolarHBondContact O-N 3.02Å |
| 20 | I | 68 | Low | 60.8 | Low | 91 Ų | 91 | 115 Ų | 115 | 47% | 0.467 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.3 | -42.6 | 175.4 | -69.9 | 165.7 | 0 | 0 | 0 | 111.1 | L16 E17 S22 L23 L24 | L16-I20 HydrophobicContact CG-CD1 4.05Å; L16-I20 VanDerWaalsContact O-CG1 3.26Å; L16-I20 WeakPolarHBondContact O-CG1 3.4Å; L16-I20 PolarHBondContact O-N 3.46Å; E17-I20 PolarHBondContact O-N 3.39Å; I20-S22 VanDerWaalsContact C-N 3.27Å; I20-S22 PolarHBondContact O-N 3.09Å; I20-L23 PolarHBondContact O-N 2.73Å; I20-L24 PolarHBondContact O-N 2.97Å |
| 21 | V | 63 | Low | 58.8 | Low | 109 Ų | 109 | 118.9 Ų | 118.9 | 66% | 0.661 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.5 | -35.9 | 175.3 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | E17 F19 | E17-V21 WeakPolarHBondContact O-CG2 3.24Å; E17-V21 PolarHBondContact O-N 3.18Å; F19-V21 PolarHBondContact O-N 3.33Å |
| 22 | S | 57.5 | Low | 56.5 | Low | 95 Ų | 95 | 117.9 Ų | 117.9 | 66% | 0.664 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -77.1 | -29.1 | 178.1 | -55.6 | 0 | 0 | 0 | 0 | 113 | L18 F19 I20 | L18-S22 WeakPolarHBondContact O-CB 3.39Å; L18-S22 PolarHBondContact O-N 3Å; L18-S22 PolarHBondContact O-OG 3.25Å; F19-S22 CarbonylContact O-C 3.57Å; F19-S22 PolarHBondContact O-N 3.13Å; F19-S22 VanDerWaalsContact O-N 3.12Å; I20-S22 VanDerWaalsContact C-N 3.27Å; I20-S22 PolarHBondContact O-N 3.09Å |
| 23 | L | 48.7 | Very low | 54.5 | Low | 95 Ų | 95 | 120.9 Ų | 120.9 | 50% | 0.497 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -89.7 | -7.5 | -179 | -98.2 | 166.7 | 0 | 0 | 0 | 114.3 | F19 I20 P25 | F19-L23 HydrophobicContact CD1-CD1 3.44Å; F19-L23 VanDerWaalsContact CD1-CD1 3.44Å; F19-L23 HydrophobicContact CD2-CD1 4.18Å; F19-L23 HydrophobicContact CE1-CD1 3.02Å; F19-L23 HydrophobicContact CE1-CG 4.27Å; F19-L23 HydrophobicContact CE2-CD1 3.82Å; F19-L23 HydrophobicContact CE2-CG 4.33Å; F19-L23 HydrophobicContact CG-CD1 4.01Å; F19-L23 HydrophobicContact CZ-CD1 3.23Å; F19-L23 HydrophobicContact CZ-CG 4.14Å; F19-L23 VanDerWaalsContact O-CB 3.28Å; F19-L23 WeakPolarHBondContact O-CB 3.35Å; F19-L23 PolarHBondContact O-N 3.02Å; I20-L23 PolarHBondContact O-N 2.73Å; L23-P25 VanDerWaalsContact C-N 3.28Å; L23-P25 WeakPolarHBondContact O-CD 3.46Å; L23-P25 WeakPolarHBondContact O-CG 3.5Å |
| 24 | L | 45.3 | Very low | 52.2 | Low | 138 Ų | 138 | 122.9 Ų | 122.9 | 72% | 0.723 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -63.7 | 96.6 | 165.3 | -132.1 | 90.5 | 0 | 0 | 0 | 105.9 | I20 I26 | I20-L24 PolarHBondContact O-N 2.97Å; L24-I26 PolarHBondContact O-N 3.08Å |
| 25 | P | 42.8 | Very low | 50.4 | Low | 92 Ų | 92 | 128.7 Ų | 128.7 | 60% | 0.597 | 67% | 0.666 | S | S | * | * | trans | -71.7 | 146.9 | -165.5 | -6.2 | 24.4 | 0 | 0 | 0 | 106.6 | L23 H27 | L23-P25 VanDerWaalsContact C-N 3.28Å; L23-P25 WeakPolarHBondContact O-CD 3.46Å; L23-P25 WeakPolarHBondContact O-CG 3.5Å; P25-H27 PolarHBondContact O-N 3.14Å | ||
| 26 | I | 41.7 | Very low | 48.6 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 86% | 0.862 | 67% | 0.67 | S | S | * | * | trans | -59.7 | 66.2 | 164.1 | -63.5 | 153.2 | 0 | 0 | 0 | 107.8 | L24 T28 | L24-I26 PolarHBondContact O-N 3.08Å; I26-T28 VanDerWaalsContact C-N 3.33Å; I26-T28 PolarHBondContact O-N 3.17Å | ||
| 27 | H | 34.5 | Very low | 46.9 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 69% | 0.694 | 67% | 0.669 | S | S | * | * | trans | -102.6 | 56.9 | 178.4 | -126.7 | -33.2 | 0 | 0 | 0 | 108 | P25 | P25-H27 PolarHBondContact O-N 3.14Š| ||
| 28 | T | 40.8 | Very low | 45.6 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 76% | 0.761 | 67% | 0.674 | S | S | * | * | trans | -130.4 | 77.3 | 161.4 | 47.7 | 0 | 0 | 0 | 0 | 108 | I26 | I26-T28 VanDerWaalsContact C-N 3.33Å; I26-T28 PolarHBondContact O-N 3.17Å | ||
| 29 | N | 36.9 | Very low | 44.7 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 71% | 0.711 | 67% | 0.666 | S | S | * | * | trans | -54.7 | 139.9 | 151 | -72.2 | -25.5 | 0 | 0 | 0 | 108 | ||||
| 30 | N | 36.2 | Very low | 43.8 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 75% | 0.749 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 89.5 | 86.2 | 176 | -56.2 | -19.3 | 0 | 0 | 0 | 116.9 | T32 | N30-T32 PolarHBondContact O-N 3.07Š|
| 31 | I | 38.2 | Very low | 43 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 85% | 0.846 | 67% | 0.668 | S | S | * | * | 34.8 | 81.5 | 118.7 | -48.4 | 168.7 | 0 | 0 | 0 | 113.9 | |||||
| 32 | T | 30.1 | Very low | 42.3 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 65% | 0.65 | 65% | 0.651 | S | S | * | * | -144.2 | 125.5 | 126.6 | 41.7 | 0 | 0 | 0 | 0 | 106.7 | N30 Q34 | N30-T32 PolarHBondContact O-N 3.07Å; T32-Q34 PolarHBondContact O-N 2.84Å | |||
| 33 | L | 40.8 | Very low | 41.6 | Very low | 177 Ų | 177 | 133.9 Ų | 133.9 | 93% | 0.927 | 65% | 0.652 | S | S | * | * | trans | -69.4 | 24.2 | 173.3 | -127.1 | 134.9 | 0 | 0 | 0 | 111.7 | R35 | L33-R35 PolarHBondContact O-N 2.77Å; L33-R35 VanDerWaalsContact O-N 3.17Å | ||
| 34 | Q | 34.1 | Very low | 41.7 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | trans | -83.1 | 63.4 | 159.1 | -76.3 | -174.2 | -29.8 | 0 | 0 | 108.6 | T32 Y36 | T32-Q34 PolarHBondContact O-N 2.84Å; Q34-Y36 PolarHBondContact O-N 3.19Å | ||
| 35 | R | 39.5 | Very low | 41.9 | Very low | 212 Ų | 212 | 131.6 Ų | 131.6 | 80% | 0.8 | 63% | 0.63 | S | S | * | * | trans | -64.8 | 75.3 | 149.2 | -84.5 | -175.6 | -171 | 166.5 | 3.3 | 106.9 | L33 R37 H60 | L33-R35 PolarHBondContact O-N 2.77Å; L33-R35 VanDerWaalsContact O-N 3.17Å; R35-R37 PolarHBondContact O-N 2.85Å; R35-H60 PolarHBondContact O-CE1 3.11Å | ||
| 36 | Y | 37.3 | Very low | 42.2 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 58% | 0.584 | 61% | 0.614 | S | S | * | * | trans | -56.8 | 99.9 | 145.4 | -100.7 | -89 | 0 | 0 | 0 | 103.9 | Q34 P38 E59 | Q34-Y36 PolarHBondContact O-N 3.19Å; Y36-P38 WeakPolarHBondContact O-CD 3.07Å; Y36-E59 PolarHBondContact OH-OE1 3.06Å; Y36-E59 VanDerWaalsContact OH-OE1 3.07Å | ||
| 37 | R | 44.3 | Very low | 42.7 | Very low | 135 Ų | 135 | 127 Ų | 127 | 51% | 0.509 | 60% | 0.598 | S | S | . | * | trans | -68.3 | 109.4 | 161.5 | -165.9 | -178.9 | -163.6 | 153 | 3.6 | 103.4 | R35 K39 R40 | R35-R37 PolarHBondContact O-N 2.85Å; R37-K39 PolarHBondContact O-N 3.17Å; R37-R40 VanDerWaalsContact NH2-CZ 3.32Å | ||
| 38 | P | 43.7 | Very low | 43.8 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 68% | 0.675 | 60% | 0.6 | S | S | * | * | trans | -55.4 | 130 | 173.4 | 22.7 | -31 | 0 | 0 | 0 | 106.9 | Y36 R40 | Y36-P38 WeakPolarHBondContact O-CD 3.07Å; P38-R40 PolarHBondContact O-N 3.16Å; P38-R40 VanDerWaalsContact O-N 3.13Å | ||
| 39 | K | 46.6 | Very low | 44.5 | Very low | 87 Ų | 87 | 123.1 Ų | 123.1 | 38% | 0.378 | 57% | 0.571 | S | S | . | * | trans | -49.2 | 123.7 | 178.7 | -66.8 | -170.5 | 167.6 | -168.9 | 0 | 107.7 | R37 W41 I46 E76 | R37-K39 PolarHBondContact O-N 3.17Å; K39-W41 PolarHBondContact O-N 3.07Å; K39-I46 HydrophobicContact CB-CD1 4.28Å; K39-I46 HydrophobicContact CD-CD1 3.9Å; K39-E76 VanDerWaalsContact CA-OE2 3.25Å; K39-E76 WeakPolarHBondContact CA-OE2 3.36Å; K39-E76 VanDerWaalsContact CB-OE2 3.28Å; K39-E76 WeakPolarHBondContact CB-OE2 3.37Å; K39-E76 WeakPolarHBondContact CD-OE1 3.25Å; K39-E76 VanDerWaalsContact CG-OE2 3.31Å; K39-E76 WeakPolarHBondContact CG-OE2 3.01Å | ||
| 40 | R | 51 | Low | 45.3 | Very low | 188 Ų | 188 | 119.6 Ų | 119.6 | 71% | 0.709 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -70.4 | -12.6 | -172.1 | -78.5 | -175.3 | 168.5 | -176.1 | -4.4 | 113.4 | R37 P38 | R37-R40 VanDerWaalsContact NH2-CZ 3.32Å; P38-R40 PolarHBondContact O-N 3.16Å; P38-R40 VanDerWaalsContact O-N 3.13Å |
| 41 | W | 50.8 | Low | 46 | Very low | 91 Ų | 91 | 125 Ų | 125 | 35% | 0.345 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -89.7 | 142 | -173 | -57.1 | 102.7 | 0 | 0 | 0 | 110.4 | K39 E45 Y78 P79 | K39-W41 PolarHBondContact O-N 3.07Å; W41-E45 WeakPolarHBondContact CA-OE2 3.41Å; W41-E45 HydrophobicContact CB-CB 4.29Å; W41-E45 WeakPolarHBondContact CB-OE2 3.31Å; W41-E45 VanDerWaalsContact CE3-OE2 3.28Å; W41-Y78 HydrophobicContact CH2-CD2 4.46Å; W41-Y78 HydrophobicContact CH2-CE2 4.29Å; W41-Y78 HydrophobicContact CZ2-CD2 4.3Å; W41-P79 HydrophobicContact CB-CB 3.86Å; W41-P79 HydrophobicContact CB-CG 3.74Å; W41-P79 HydrophobicContact CD2-CB 4.46Å; W41-P79 HydrophobicContact CD2-CG 3.52Å; W41-P79 VanDerWaalsContact CE2-CD 3.45Å; W41-P79 HydrophobicContact CE3-CG 3.98Å; W41-P79 HydrophobicContact CG-CB 3.83Å; W41-P79 HydrophobicContact CG-CG 3.39Å |
| 42 | A | 47 | Very low | 46.2 | Very low | 38 Ų | 38 | 119.6 Ų | 119.6 | 31% | 0.314 | 55% | 0.549 | S | S | . | . | trans | -63.6 | 146.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y44 E45 I46 | A42-Y44 HydrophobicContact CB-CD1 3.44Å; A42-Y44 VanDerWaalsContact CB-CD1 3.44Å; A42-Y44 HydrophobicContact CB-CE1 3.1Å; A42-Y44 HydrophobicContact CB-CG 4.35Å; A42-Y44 PolarHBondContact O-N 3.13Å; A42-E45 HydrophobicContact CB-CG 4.4Å; A42-E45 PolarHBondContact N-OE2 2.93Å; A42-E45 WeakPolarHBondContact O-CB 3.47Å; A42-E45 PolarHBondContact O-N 2.94Å; A42-I46 PolarHBondContact O-N 2.84Å | ||
| 43 | Y | 43.3 | Very low | 47 | Very low | 174 Ų | 174 | 124.8 Ų | 124.8 | 68% | 0.682 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -48.6 | -36.8 | -177.8 | -177 | -106.1 | 0 | 0 | 0 | 113 | E45 I46 H47 | Y43-E45 VanDerWaalsContact C-N 3.32Å; Y43-E45 PolarHBondContact O-N 2.91Å; Y43-I46 PolarHBondContact O-N 3.3Å; Y43-H47 AromaticContact CD1-CD2 3.55Å; Y43-H47 AromaticContact CD1-NE2 3.79Å; Y43-H47 AromaticContact CE1-CD2 3.31Å; Y43-H47 WeakPolarHBondContact CE1-CD2 3.35Å; Y43-H47 AromaticContact CE1-NE2 3.08Å; Y43-H47 WeakPolarHBondContact CE1-NE2 3.43Å; Y43-H47 AromaticContact CE2-CD2 3.97Å; Y43-H47 AromaticContact CE2-NE2 3.41Å; Y43-H47 WeakPolarHBondContact CE2-NE2 3.39Å; Y43-H47 AromaticContact CZ-CD2 3.56Å; Y43-H47 AromaticContact CZ-CE1 3.96Å; Y43-H47 AromaticContact CZ-NE2 2.87Å; Y43-H47 PolarHBondContact O-CD2 3.5Å; Y43-H47 VanDerWaalsContact O-CD2 3.26Å; Y43-H47 PolarHBondContact O-N 3.29Å; Y43-H47 PolarHBondContact OH-NE2 3.17Å |
| 44 | Y | 50.9 | Low | 47.2 | Very low | 136 Ų | 136 | 118 Ų | 118 | 53% | 0.533 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65 | -29.7 | 177.6 | 71.9 | -99.2 | 0 | 0 | 0 | 114 | A42 H47 K48 | A42-Y44 HydrophobicContact CB-CD1 3.44Å; A42-Y44 VanDerWaalsContact CB-CD1 3.44Å; A42-Y44 HydrophobicContact CB-CE1 3.1Å; A42-Y44 HydrophobicContact CB-CG 4.35Å; A42-Y44 PolarHBondContact O-N 3.13Å; Y44-H47 PolarHBondContact O-N 2.88Å; Y44-K48 WeakPolarHBondContact O-CG 3.05Å; Y44-K48 PolarHBondContact O-N 3.2Å |
| 45 | E | 49.9 | Very low | 48.1 | Very low | 50 Ų | 50 | 114.3 Ų | 114.3 | 23% | 0.234 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -72.8 | -35.2 | 178.4 | -60.4 | 177 | 137.5 | 0 | 0 | 110.6 | W41 A42 Y43 H47 C49 P79 | W41-E45 WeakPolarHBondContact CA-OE2 3.41Å; W41-E45 HydrophobicContact CB-CB 4.29Å; W41-E45 WeakPolarHBondContact CB-OE2 3.31Å; W41-E45 VanDerWaalsContact CE3-OE2 3.28Å; A42-E45 HydrophobicContact CB-CG 4.4Å; A42-E45 PolarHBondContact N-OE2 2.93Å; A42-E45 WeakPolarHBondContact O-CB 3.47Å; A42-E45 PolarHBondContact O-N 2.94Å; Y43-E45 VanDerWaalsContact C-N 3.32Å; Y43-E45 PolarHBondContact O-N 2.91Å; E45-H47 VanDerWaalsContact C-N 3.33Å; E45-C49 PolarHBondContact O-SG 3.12Å; E45-P79 HydrophobicContact CB-CB 4.35Å; E45-P79 HydrophobicContact CB-CG 4.03Å |
| 46 | I | 50 | Low | 49.3 | Very low | 49 Ų | 49 | 105.9 Ų | 105.9 | 25% | 0.251 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.9 | -31.2 | 173.7 | -56.8 | 172.2 | 0 | 0 | 0 | 111.1 | K39 A42 Y43 C49 P79 | K39-I46 HydrophobicContact CB-CD1 4.28Å; K39-I46 HydrophobicContact CD-CD1 3.9Å; A42-I46 PolarHBondContact O-N 2.84Å; Y43-I46 PolarHBondContact O-N 3.3Å; I46-C49 WeakPolarHBondContact O-CB 3.42Å; I46-C49 PolarHBondContact O-SG 3.08Å; I46-C49 VanDerWaalsContact O-SG 3.38Å; I46-P79 HydrophobicContact CG1-CB 4.19Å |
| 47 | H | 51.8 | Low | 50.9 | Low | 113 Ų | 113 | 99 Ų | 99 | 52% | 0.523 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -75.9 | -32.1 | 177.3 | -86.2 | -74.5 | 0 | 0 | 0 | 113.9 | Y43 Y44 E45 C49 G50 | Y43-H47 AromaticContact CD1-CD2 3.55Å; Y43-H47 AromaticContact CD1-NE2 3.79Å; Y43-H47 AromaticContact CE1-CD2 3.31Å; Y43-H47 WeakPolarHBondContact CE1-CD2 3.35Å; Y43-H47 AromaticContact CE1-NE2 3.08Å; Y43-H47 WeakPolarHBondContact CE1-NE2 3.43Å; Y43-H47 AromaticContact CE2-CD2 3.97Å; Y43-H47 AromaticContact CE2-NE2 3.41Å; Y43-H47 WeakPolarHBondContact CE2-NE2 3.39Å; Y43-H47 AromaticContact CZ-CD2 3.56Å; Y43-H47 AromaticContact CZ-CE1 3.96Å; Y43-H47 AromaticContact CZ-NE2 2.87Å; Y43-H47 PolarHBondContact O-CD2 3.5Å; Y43-H47 VanDerWaalsContact O-CD2 3.26Å; Y43-H47 PolarHBondContact O-N 3.29Å; Y43-H47 PolarHBondContact OH-NE2 3.17Å; Y44-H47 PolarHBondContact O-N 2.88Å; E45-H47 VanDerWaalsContact C-N 3.33Å; H47-C49 PolarHBondContact O-N 3.28Å; H47-C49 VanDerWaalsContact O-N 3.16Å; H47-G50 PolarHBondContact O-N 2.89Å |
| 48 | K | 56.9 | Low | 52.3 | Low | 169 Ų | 169 | 97.4 Ų | 97.4 | 74% | 0.735 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.2 | -22.5 | 175.9 | -75.4 | -179.9 | -179.4 | -178.2 | 0 | 113.5 | Y44 G50 | Y44-K48 WeakPolarHBondContact O-CG 3.05Å; Y44-K48 PolarHBondContact O-N 3.2Å; K48-G50 VanDerWaalsContact C-N 3.26Å; K48-G50 PolarHBondContact O-N 3.42Å |
| 49 | C | 55.7 | Low | 53.9 | Low | 24 Ų | 24 | 96.1 Ų | 96.1 | 16% | 0.162 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -29.3 | 179.3 | -75.5 | 0 | 0 | 0 | 0 | 115.1 | E45 I46 H47 I52 C80 | E45-C49 PolarHBondContact O-SG 3.12Å; I46-C49 WeakPolarHBondContact O-CB 3.42Å; I46-C49 PolarHBondContact O-SG 3.08Å; I46-C49 VanDerWaalsContact O-SG 3.38Å; H47-C49 PolarHBondContact O-N 3.28Å; H47-C49 VanDerWaalsContact O-N 3.16Å; C49-I52 HydrophobicContact CB-CD1 3.09Å; C49-I52 HydrophobicContact CB-CG1 3.71Å; C49-I52 WeakPolarHBondContact O-CG1 3.36Å; C49-I52 WeakPolarHBondContact SG-CD1 3.31Å; C49-C80 VanDerWaalsContact CA-SG 3.51Å; C49-C80 HydrophobicContact CB-CB 4.23Å; C49-C80 WeakPolarHBondContact CB-SG 3.37Å; C49-C80 WeakPolarHBondContact SG-CA 3.47Å; C49-C80 WeakPolarHBondContact SG-CB 3.41Å; C49-C80 CovalentContact SG-SG 2.05Å; C49-C80 PolarHBondContact SG-SG 3.34Å |
| 50 | G | 53.3 | Low | 55.5 | Low | 59 Ų | 59 | 95.3 Ų | 95.3 | 61% | 0.608 | 45% | 0.446 | S | S | * | . | trans | 64.6 | -161.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | H47 K48 I52 | H47-G50 PolarHBondContact O-N 2.89Å; K48-G50 VanDerWaalsContact C-N 3.26Å; K48-G50 PolarHBondContact O-N 3.42Å; G50-I52 VanDerWaalsContact C-N 3.25Å; G50-I52 PolarHBondContact O-N 2.98Å | ||
| 51 | R | 51.5 | Low | 56.9 | Low | 254 Ų | 254 | 94 Ų | 94 | 96% | 0.958 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -71.2 | 76.8 | 174.7 | -85.2 | -170 | -177.7 | 171.3 | 1.6 | 110.3 | K53 | R51-K53 PolarHBondContact O-N 2.77Š|
| 52 | I | 42.8 | Very low | 58.3 | Low | 51 Ų | 51 | 92.8 Ų | 92.8 | 26% | 0.262 | 44% | 0.439 | S | S | . | . | trans | -74.8 | 122.8 | 179.3 | -53.9 | 174.3 | 0 | 0 | 0 | 110.9 | C49 G50 G54 Y55 C80 | C49-I52 HydrophobicContact CB-CD1 3.09Å; C49-I52 HydrophobicContact CB-CG1 3.71Å; C49-I52 WeakPolarHBondContact O-CG1 3.36Å; C49-I52 WeakPolarHBondContact SG-CD1 3.31Å; G50-I52 VanDerWaalsContact C-N 3.25Å; G50-I52 PolarHBondContact O-N 2.98Å; I52-G54 VanDerWaalsContact C-N 3.28Å; I52-Y55 HydrophobicContact CB-CE2 4.24Å; I52-Y55 HydrophobicContact CD1-CE2 4.47Å; I52-C80 HydrophobicContact CD1-CB 3.09Å; I52-C80 WeakPolarHBondContact CD1-O 3.44Å; I52-C80 VanDerWaalsContact CD1-SG 3.58Å; I52-C80 HydrophobicContact CG1-CB 4.46Å | ||
| 53 | K | 45.7 | Very low | 59.9 | Low | 216 Ų | 216 | 91 Ų | 91 | 94% | 0.939 | 42% | 0.424 | S | S | * | . | trans | -85.3 | 12 | 169.7 | -61.8 | -175.7 | 176.2 | -178.2 | 0 | 113.9 | R51 | R51-K53 PolarHBondContact O-N 2.77Š| ||
| 54 | G | 46 | Very low | 61.7 | Low | 35 Ų | 35 | 87.1 Ų | 87.1 | 36% | 0.361 | 41% | 0.409 | S | S | . | . | trans | -110 | 0.3 | -163 | 0 | 0 | 0 | 0 | 0 | 116.3 | I52 S56 | I52-G54 VanDerWaalsContact C-N 3.28Å; G54-S56 PolarHBondContact O-N 3.43Å | ||
| 55 | Y | 51.9 | Low | 63.2 | Low | 66 Ų | 66 | 85 Ų | 85 | 26% | 0.259 | 40% | 0.404 | S | S | . | . | trans | -71.8 | 111.1 | 172.8 | -65.6 | -71.7 | 0 | 0 | 0 | 109.1 | I52 C57 L58 P79 S82 | I52-Y55 HydrophobicContact CB-CE2 4.24Å; I52-Y55 HydrophobicContact CD1-CE2 4.47Å; Y55-C57 PolarHBondContact O-N 2.7Å; Y55-L58 HydrophobicContact CD1-CD2 3.99Å; Y55-L58 HydrophobicContact CD2-CD2 4.03Å; Y55-L58 HydrophobicContact CG-CD2 3.73Å; Y55-P79 PolarHBondContact OH-O 3.19Å; Y55-S82 WeakPolarHBondContact CA-OG 3.39Å; Y55-S82 WeakPolarHBondContact CD1-OG 3.5Å | ||
| 56 | S | 66 | Low | 64.6 | Low | 36 Ų | 36 | 89.3 Ų | 89.3 | 25% | 0.252 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -69.2 | -25 | 166.5 | 73.1 | 0 | 0 | 0 | 0 | 111.2 | G54 R66 S82 S83 C84 | G54-S56 PolarHBondContact O-N 3.43Å; S56-R66 PolarHBondContact O-NH1 3.38Å; S56-R66 PolarHBondContact O-NH2 2.92Å; S56-S82 WeakPolarHBondContact CB-O 3.41Å; S56-S82 PolarHBondContact N-O 3.05Å; S56-S82 PolarHBondContact OG-O 2.85Å; S56-S83 WeakPolarHBondContact OG-CA 3.38Å; S56-C84 PolarHBondContact OG-N 3.12Å |
| 57 | C | 71.1 | Confident | 66.1 | Low | 3 Ų | 3 | 92.3 Ų | 92.3 | 2% | 0.02 | 43% | 0.427 | C | S | . | . | trans | -153.9 | 157.3 | -178.4 | 58.3 | 0 | 0 | 0 | 0 | 110.7 | Y55 H62 C63 C74 S82 | Y55-C57 PolarHBondContact O-N 2.7Å; C57-H62 HydrophobicContact CB-CB 4.05Å; C57-C63 VanDerWaalsContact CB-SG 3.58Å; C57-C63 VanDerWaalsContact SG-SG 3.66Å; C57-C74 HydrophobicContact CB-CB 3.7Å; C57-C74 WeakPolarHBondContact CB-SG 3.31Å; C57-C74 PolarHBondContact O-SG 3.33Å; C57-C74 WeakPolarHBondContact SG-CA 3.4Å; C57-C74 WeakPolarHBondContact SG-CB 3.43Å; C57-C74 CovalentContact SG-SG 2.03Å; C57-C74 PolarHBondContact SG-SG 3.14Å; C57-S82 PolarHBondContact N-OG 3.18Å; C57-S82 WeakPolarHBondContact O-CB 3.28Å; C57-S82 PolarHBondContact O-OG 2.92Å | ||
| 58 | L | 72.4 | Confident | 67.5 | Low | 103 Ų | 103 | 93.3 Ų | 93.3 | 54% | 0.539 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -118.4 | -32.4 | 172.1 | -64.3 | 172.6 | 0 | 0 | 0 | 110.3 | Y55 H62 | Y55-L58 HydrophobicContact CD1-CD2 3.99Å; Y55-L58 HydrophobicContact CD2-CD2 4.03Å; Y55-L58 HydrophobicContact CG-CD2 3.73Å; L58-H62 PolarHBondContact N-ND1 2.83Å; L58-H62 VanDerWaalsContact N-ND1 3.12Å |
| 59 | E | 76.6 | Confident | 68.4 | Low | 77 Ų | 77 | 87.2 Ų | 87.2 | 36% | 0.36 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -126.3 | 156 | 178.8 | -62.3 | -179.9 | -172.5 | 0 | 0 | 110 | Y36 R61 H62 C74 | Y36-E59 PolarHBondContact OH-OE1 3.06Å; Y36-E59 VanDerWaalsContact OH-OE1 3.07Å; E59-R61 HydrophobicContact CB-CB 4.38Å; E59-R61 PolarHBondContact O-N 3.37Å; E59-H62 WeakPolarHBondContact O-CB 3.08Å; E59-H62 PolarHBondContact O-N 3.17Å; E59-C74 WeakPolarHBondContact O-CB 3.46Å |
| 60 | H | 81.2 | Confident | 69.6 | Low | 69 Ų | 69 | 91.7 Ų | 91.7 | 32% | 0.319 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -54.5 | -34.9 | 171.9 | -60.6 | 160.7 | 0 | 0 | 0 | 111.6 | R35 H62 C63 Y64 C74 | R35-H60 PolarHBondContact O-CE1 3.11Å; H60-H62 VanDerWaalsContact C-N 3.26Å; H60-H62 PolarHBondContact O-N 3.38Å; H60-C63 WeakPolarHBondContact O-CB 3.38Å; H60-C63 PolarHBondContact O-N 3.25Å; H60-Y64 PolarHBondContact O-N 3Å; H60-Y64 VanDerWaalsContact O-N 3.13Å; H60-C74 PolarHBondContact CD2-N 3.47Å; H60-C74 VanDerWaalsContact CD2-N 3.33Å; H60-C74 PolarHBondContact CD2-O 3.41Å; H60-C74 PolarHBondContact NE2-O 2.92Å |
| 61 | R | 79.8 | Confident | 70.9 | Confident | 161 Ų | 161 | 89.8 Ų | 89.8 | 61% | 0.608 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -55.5 | -38.7 | 176 | -178.3 | 178.1 | 170.2 | -179.2 | -4.8 | 112.6 | E59 C63 Y64 E65 | E59-R61 HydrophobicContact CB-CB 4.38Å; E59-R61 PolarHBondContact O-N 3.37Å; R61-C63 VanDerWaalsContact C-N 3.26Å; R61-C63 PolarHBondContact O-N 3.28Å; R61-Y64 WeakPolarHBondContact O-CB 3.33Å; R61-Y64 PolarHBondContact O-N 3.48Å; R61-E65 HydrophobicContact CG-CG 4.13Å; R61-E65 IonicContact CZ-OE1 3.16Å; R61-E65 IonicContact NE-OE1 2.7Å; R61-E65 PolarHBondContact NE-OE1 3.26Å; R61-E65 IonicContact NE-OE2 3.96Å; R61-E65 IonicContact NH2-OE1 2.77Å; R61-E65 PolarHBondContact NH2-OE1 3.38Å; R61-E65 WeakPolarHBondContact O-CG 3.21Å; R61-E65 PolarHBondContact O-N 3.38Å |
| 62 | H | 80.4 | Confident | 72.2 | Confident | 66 Ų | 66 | 78.4 Ų | 78.4 | 31% | 0.306 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.5 | -33.9 | 178.6 | -62.4 | 178.2 | 0 | 0 | 0 | 112.2 | C57 L58 E59 H60 R66 | C57-H62 HydrophobicContact CB-CB 4.05Å; L58-H62 PolarHBondContact N-ND1 2.83Å; L58-H62 VanDerWaalsContact N-ND1 3.12Å; E59-H62 WeakPolarHBondContact O-CB 3.08Å; E59-H62 PolarHBondContact O-N 3.17Å; H60-H62 VanDerWaalsContact C-N 3.26Å; H60-H62 PolarHBondContact O-N 3.38Å; H62-R66 WeakPolarHBondContact O-CB 3.42Å; H62-R66 PolarHBondContact O-N 2.83Å |
| 63 | C | 81.3 | Confident | 74 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72 | -41.1 | 175.6 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | C57 H60 R61 Y67 M72 C74 C84 | C57-C63 VanDerWaalsContact CB-SG 3.58Å; C57-C63 VanDerWaalsContact SG-SG 3.66Å; H60-C63 WeakPolarHBondContact O-CB 3.38Å; H60-C63 PolarHBondContact O-N 3.25Å; R61-C63 VanDerWaalsContact C-N 3.26Å; R61-C63 PolarHBondContact O-N 3.28Å; C63-Y67 WeakPolarHBondContact O-CB 3.36Å; C63-Y67 WeakPolarHBondContact O-CD2 3.5Å; C63-Y67 PolarHBondContact O-N 2.62Å; C63-M72 HydrophobicContact CB-CB 4.32Å; C63-C74 VanDerWaalsContact SG-CA 3.52Å; C63-C74 PolarHBondContact SG-N 2.89Å; C63-C74 VanDerWaalsContact SG-N 3.39Å; C63-C84 WeakPolarHBondContact CA-SG 3.38Å; C63-C84 HydrophobicContact CB-CB 3.73Å; C63-C84 WeakPolarHBondContact CB-SG 3.49Å; C63-C84 WeakPolarHBondContact SG-CA 3.38Å; C63-C84 WeakPolarHBondContact SG-CB 3.35Å; C63-C84 CovalentContact SG-SG 2.03Å; C63-C84 PolarHBondContact SG-SG 3Å |
| 64 | Y | 81.3 | Confident | 75.5 | Confident | 92 Ų | 92 | 67.6 Ų | 67.6 | 36% | 0.361 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.3 | -49.8 | 173.2 | 172.8 | -104.4 | 0 | 0 | 0 | 111.8 | H60 R61 R66 Y67 L68 H70 | H60-Y64 PolarHBondContact O-N 3Å; H60-Y64 VanDerWaalsContact O-N 3.13Å; R61-Y64 WeakPolarHBondContact O-CB 3.33Å; R61-Y64 PolarHBondContact O-N 3.48Å; Y64-R66 VanDerWaalsContact C-N 3.31Å; Y64-R66 PolarHBondContact O-N 3.35Å; Y64-Y67 PolarHBondContact O-N 2.69Å; Y64-L68 WeakPolarHBondContact O-CA 3.09Å; Y64-L68 PolarHBondContact O-N 3.43Å; Y64-H70 AromaticContact CD2-CE1 3.64Å; Y64-H70 AromaticContact CD2-ND1 3.53Å; Y64-H70 AromaticContact CE2-CE1 3.05Å; Y64-H70 WeakPolarHBondContact CE2-CE1 3.01Å; Y64-H70 AromaticContact CE2-ND1 3.43Å; Y64-H70 WeakPolarHBondContact CE2-ND1 3.43Å; Y64-H70 AromaticContact CE2-NE2 3.47Å; Y64-H70 WeakPolarHBondContact CE2-NE2 3.38Å; Y64-H70 AromaticContact CZ-CE1 3.52Å; Y64-H70 AromaticContact CZ-NE2 3.99Å |
| 65 | E | 81.8 | Confident | 77.1 | Confident | 92 Ų | 92 | 67.3 Ų | 67.3 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.1 | -36.1 | -179.1 | -72.3 | 176.4 | 157.7 | 0 | 0 | 112.4 | R61 | R61-E65 HydrophobicContact CG-CG 4.13Å; R61-E65 IonicContact CZ-OE1 3.16Å; R61-E65 IonicContact NE-OE1 2.7Å; R61-E65 PolarHBondContact NE-OE1 3.26Å; R61-E65 IonicContact NE-OE2 3.96Å; R61-E65 IonicContact NH2-OE1 2.77Å; R61-E65 PolarHBondContact NH2-OE1 3.38Å; R61-E65 WeakPolarHBondContact O-CG 3.21Å; R61-E65 PolarHBondContact O-N 3.38Å |
| 66 | R | 79.8 | Confident | 78.1 | Confident | 140 Ų | 140 | 66.2 Ų | 66.2 | 53% | 0.528 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -73.2 | -41.1 | 178.9 | -179.5 | 173.8 | -72.8 | 151.6 | 3.6 | 113 | S56 H62 Y64 | S56-R66 PolarHBondContact O-NH1 3.38Å; S56-R66 PolarHBondContact O-NH2 2.92Å; H62-R66 WeakPolarHBondContact O-CB 3.42Å; H62-R66 PolarHBondContact O-N 2.83Å; Y64-R66 VanDerWaalsContact C-N 3.31Å; Y64-R66 PolarHBondContact O-N 3.35Å |
| 67 | Y | 80.7 | Confident | 78.2 | Confident | 112 Ų | 112 | 65.9 Ų | 65.9 | 44% | 0.439 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -110 | -6.7 | -170.6 | -62.6 | -74.1 | 0 | 0 | 0 | 114.1 | C63 Y64 R69 M72 C84 | C63-Y67 WeakPolarHBondContact O-CB 3.36Å; C63-Y67 WeakPolarHBondContact O-CD2 3.5Å; C63-Y67 PolarHBondContact O-N 2.62Å; Y64-Y67 PolarHBondContact O-N 2.69Å; Y67-R69 WeakPolarHBondContact O-CG 3.41Å; Y67-R69 PolarHBondContact O-N 2.86Å; Y67-M72 VanDerWaalsContact CB-SD 3.51Å; Y67-M72 HydrophobicContact CD1-CE 4.42Å; Y67-M72 HydrophobicContact CD1-SD 4.28Å; Y67-M72 HydrophobicContact CD2-CE 3.59Å; Y67-M72 HydrophobicContact CD2-SD 3.7Å; Y67-M72 HydrophobicContact CE2-CE 3.83Å; Y67-M72 HydrophobicContact CG-CE 3.93Å; Y67-M72 HydrophobicContact CG-SD 3.57Å; Y67-M72 VanDerWaalsContact CG-SD 3.57Å; Y67-C84 HydrophobicContact CD2-CB 4.2Å; Y67-C84 HydrophobicContact CE2-CB 3.65Å |
| 68 | L | 81.4 | Confident | 77.8 | Confident | 135 Ų | 135 | 71.7 Ų | 71.7 | 71% | 0.707 | 32% | 0.32 | S | S | * | . | trans | 53.3 | 39.3 | -174.5 | -59.9 | 174.8 | 0 | 0 | 0 | 113.2 | Y64 | Y64-L68 WeakPolarHBondContact O-CA 3.09Å; Y64-L68 PolarHBondContact O-N 3.43Å | ||
| 69 | R | 76.4 | Confident | 77.2 | Confident | 40 Ų | 40 | 66.9 Ų | 66.9 | 15% | 0.151 | 30% | 0.295 | C | S | . | . | trans | -132.6 | 126.8 | -171.8 | -78.3 | -180 | 65.4 | 139.5 | 18.3 | 112.7 | Y67 D71 M72 F86 | Y67-R69 WeakPolarHBondContact O-CG 3.41Å; Y67-R69 PolarHBondContact O-N 2.86Å; R69-D71 VanDerWaalsContact C-N 3.34Å; R69-D71 IonicContact CZ-OD1 3.3Å; R69-D71 VanDerWaalsContact CZ-OD1 3.3Å; R69-D71 IonicContact CZ-OD2 3.71Å; R69-D71 IonicContact NE-OD1 2.83Å; R69-D71 PolarHBondContact NE-OD1 3.42Å; R69-D71 IonicContact NH2-OD1 2.92Å; R69-D71 PolarHBondContact NH2-OD1 3.41Å; R69-D71 IonicContact NH2-OD2 2.62Å; R69-D71 PolarHBondContact NH2-OD2 3.33Å; R69-M72 HydrophobicContact CB-CG 4.04Å; R69-M72 HydrophobicContact CB-SD 4.15Å; R69-F86 VanDerWaalsContact NH1-CE1 3.26Å | ||
| 70 | H | 80.7 | Confident | 76.6 | Confident | 119 Ų | 119 | 64.6 Ų | 64.6 | 55% | 0.551 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -13.5 | 178.9 | -66.3 | -61.7 | 0 | 0 | 0 | 114 | Y64 M72 | Y64-H70 AromaticContact CD2-CE1 3.64Å; Y64-H70 AromaticContact CD2-ND1 3.53Å; Y64-H70 AromaticContact CE2-CE1 3.05Å; Y64-H70 WeakPolarHBondContact CE2-CE1 3.01Å; Y64-H70 AromaticContact CE2-ND1 3.43Å; Y64-H70 WeakPolarHBondContact CE2-ND1 3.43Å; Y64-H70 AromaticContact CE2-NE2 3.47Å; Y64-H70 WeakPolarHBondContact CE2-NE2 3.38Å; Y64-H70 AromaticContact CZ-CE1 3.52Å; Y64-H70 AromaticContact CZ-NE2 3.99Å; H70-M72 VanDerWaalsContact C-N 3.33Å |
| 71 | D | 79.5 | Confident | 76 | Confident | 18 Ų | 18 | 63.9 Ų | 63.9 | 10% | 0.096 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 13 | 178.4 | 70.8 | -28.3 | 0 | 0 | 0 | 113.3 | R69 F86 I87 | R69-D71 VanDerWaalsContact C-N 3.34Å; R69-D71 IonicContact CZ-OD1 3.3Å; R69-D71 VanDerWaalsContact CZ-OD1 3.3Å; R69-D71 IonicContact CZ-OD2 3.71Å; R69-D71 IonicContact NE-OD1 2.83Å; R69-D71 PolarHBondContact NE-OD1 3.42Å; R69-D71 IonicContact NH2-OD1 2.92Å; R69-D71 PolarHBondContact NH2-OD1 3.41Å; R69-D71 IonicContact NH2-OD2 2.62Å; R69-D71 PolarHBondContact NH2-OD2 3.33Å; D71-F86 CarbonylContact O-C 3.54Å; D71-F86 WeakPolarHBondContact O-CA 3.28Å; D71-I87 WeakPolarHBondContact O-CG1 3.24Å; D71-I87 PolarHBondContact O-N 2.91Å |
| 72 | M | 79 | Confident | 75.9 | Confident | 16 Ų | 16 | 56.5 Ų | 56.5 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 138.7 | 172.7 | -64.6 | -173.5 | 77.4 | 0 | 0 | 111 | C63 Y67 R69 H70 C84 I85 F86 | C63-M72 HydrophobicContact CB-CB 4.32Å; Y67-M72 VanDerWaalsContact CB-SD 3.51Å; Y67-M72 HydrophobicContact CD1-CE 4.42Å; Y67-M72 HydrophobicContact CD1-SD 4.28Å; Y67-M72 HydrophobicContact CD2-CE 3.59Å; Y67-M72 HydrophobicContact CD2-SD 3.7Å; Y67-M72 HydrophobicContact CE2-CE 3.83Å; Y67-M72 HydrophobicContact CG-CE 3.93Å; Y67-M72 HydrophobicContact CG-SD 3.57Å; Y67-M72 VanDerWaalsContact CG-SD 3.57Å; R69-M72 HydrophobicContact CB-CG 4.04Å; R69-M72 HydrophobicContact CB-SD 4.15Å; H70-M72 VanDerWaalsContact C-N 3.33Å; M72-C84 HydrophobicContact CE-CB 3.92Å; M72-I85 CarbonylContact C-O 3.47Å; M72-I85 VanDerWaalsContact CA-O 3.27Å; M72-I85 WeakPolarHBondContact CA-O 3.27Å; M72-F86 HydrophobicContact CG-CD1 4.4Å |
| 73 | V | 80.3 | Confident | 75.9 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 13% | 0.133 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 147.8 | 178.6 | -68.2 | 0 | 0 | 0 | 0 | 110.5 | F75 C84 I85 I87 L90 | V73-F75 PolarHBondContact O-N 3.47Å; V73-C84 WeakPolarHBondContact O-CA 3.36Å; V73-I85 HydrophobicContact CG2-CG1 4.06Å; V73-I85 PolarHBondContact N-O 2.83Å; V73-I85 PolarHBondContact O-N 3.39Å; V73-I87 HydrophobicContact CG1-CD1 4.01Å; V73-I87 HydrophobicContact CG1-CG1 3.69Å; V73-I87 HydrophobicContact CG2-CG1 4.15Å; V73-L90 HydrophobicContact CG2-CD1 3.9Å |
| 74 | C | 78.4 | Confident | 75.7 | Confident | 18 Ų | 18 | 56.4 Ų | 56.4 | 12% | 0.122 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 119.2 | 168.6 | -170 | 0 | 0 | 0 | 0 | 109.6 | C57 E59 H60 C63 | C57-C74 HydrophobicContact CB-CB 3.7Å; C57-C74 WeakPolarHBondContact CB-SG 3.31Å; C57-C74 PolarHBondContact O-SG 3.33Å; C57-C74 WeakPolarHBondContact SG-CA 3.4Å; C57-C74 WeakPolarHBondContact SG-CB 3.43Å; C57-C74 CovalentContact SG-SG 2.03Å; C57-C74 PolarHBondContact SG-SG 3.14Å; E59-C74 WeakPolarHBondContact O-CB 3.46Å; H60-C74 PolarHBondContact CD2-N 3.47Å; H60-C74 VanDerWaalsContact CD2-N 3.33Å; H60-C74 PolarHBondContact CD2-O 3.41Å; H60-C74 PolarHBondContact NE2-O 2.92Å; C63-C74 VanDerWaalsContact SG-CA 3.52Å; C63-C74 PolarHBondContact SG-N 2.89Å; C63-C74 VanDerWaalsContact SG-N 3.39Å |
| 75 | F | 78.8 | Confident | 75.5 | Confident | 29 Ų | 29 | 52.5 Ų | 52.5 | 13% | 0.127 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 125.7 | 179.6 | -178.1 | -92.7 | 0 | 0 | 0 | 110.6 | V73 V77 S82 S83 I85 L90 F96 | V73-F75 PolarHBondContact O-N 3.47Å; F75-V77 HydrophobicContact CD1-CG2 3.82Å; F75-V77 HydrophobicContact CE1-CG2 4.18Å; F75-V77 PolarHBondContact O-N 2.81Å; F75-S82 CarbonylContact O-C 3.54Å; F75-S82 WeakPolarHBondContact O-CA 3Å; F75-S83 PolarHBondContact N-O 2.86Å; F75-S83 PolarHBondContact O-N 3.02Å; F75-I85 HydrophobicContact CB-CD1 3.41Å; F75-I85 VanDerWaalsContact CB-CD1 3.41Å; F75-I85 HydrophobicContact CB-CG1 3.59Å; F75-I85 HydrophobicContact CB-CG2 4.26Å; F75-I85 HydrophobicContact CD1-CD1 4.21Å; F75-I85 HydrophobicContact CD2-CD1 3.8Å; F75-I85 HydrophobicContact CG-CD1 3.53Å; F75-I85 HydrophobicContact CG-CG1 4.28Å; F75-L90 HydrophobicContact CD2-CD2 3.7Å; F75-L90 HydrophobicContact CE2-CD2 3.71Å; F75-F96 HydrophobicContact CD1-CE1 4.03Å; F75-F96 AromaticContact CD1-CZ 3.53Å; F75-F96 HydrophobicContact CD1-CZ 3.53Å; F75-F96 AromaticContact CE1-CE1 3.28Å; F75-F96 HydrophobicContact CE1-CE1 3.28Å; F75-F96 AromaticContact CE1-CZ 3.26Å; F75-F96 HydrophobicContact CE1-CZ 3.26Å; F75-F96 HydrophobicContact CE2-CE1 4.18Å; F75-F96 HydrophobicContact CE2-CZ 4.47Å; F75-F96 HydrophobicContact CG-CZ 4.26Å; F75-F96 HydrophobicContact CZ-CD1 4.4Å; F75-F96 AromaticContact CZ-CE1 3.37Å; F75-F96 HydrophobicContact CZ-CE1 3.37Å; F75-F96 AromaticContact CZ-CZ 3.78Å; F75-F96 HydrophobicContact CZ-CZ 3.78Å |
| 76 | E | 72.6 | Confident | 75.4 | Confident | 43 Ų | 43 | 49.3 Ų | 49.3 | 20% | 0.201 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 107.1 | 173.3 | -172.4 | 176.7 | -154.9 | 0 | 0 | 109.7 | K39 Y78 P79 | K39-E76 VanDerWaalsContact CA-OE2 3.25Å; K39-E76 WeakPolarHBondContact CA-OE2 3.36Å; K39-E76 VanDerWaalsContact CB-OE2 3.28Å; K39-E76 WeakPolarHBondContact CB-OE2 3.37Å; K39-E76 WeakPolarHBondContact CD-OE1 3.25Å; K39-E76 VanDerWaalsContact CG-OE2 3.31Å; K39-E76 WeakPolarHBondContact CG-OE2 3.01Å; E76-Y78 WeakPolarHBondContact CG-O 3.44Å; E76-P79 WeakPolarHBondContact OE1-CA 2.98Å |
| 77 | V | 68.3 | Low | 75.1 | Confident | 29 Ų | 29 | 45.4 Ų | 45.4 | 18% | 0.176 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -38.4 | 177.3 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | F75 L81 I100 | F75-V77 HydrophobicContact CD1-CG2 3.82Å; F75-V77 HydrophobicContact CE1-CG2 4.18Å; F75-V77 PolarHBondContact O-N 2.81Å; V77-L81 HydrophobicContact CB-CB 4.45Å; V77-L81 HydrophobicContact CB-CD2 4.08Å; V77-L81 HydrophobicContact CB-CG 4.18Å; V77-L81 HydrophobicContact CG1-CD2 4.09Å; V77-L81 PolarHBondContact N-O 3.32Å; V77-I100 HydrophobicContact CG1-CD1 3.87Å; V77-I100 HydrophobicContact CG1-CG1 4.44Å; V77-I100 HydrophobicContact CG1-CG2 3.8Å; V77-I100 HydrophobicContact CG2-CD1 4.07Å |
| 78 | Y | 64.2 | Low | 74.8 | Confident | 124 Ų | 124 | 41.1 Ų | 41.1 | 49% | 0.486 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 160.4 | 179.3 | -160.6 | -112.9 | 0 | 0 | 0 | 107.8 | W41 E76 C80 L81 | W41-Y78 HydrophobicContact CH2-CD2 4.46Å; W41-Y78 HydrophobicContact CH2-CE2 4.29Å; W41-Y78 HydrophobicContact CZ2-CD2 4.3Å; E76-Y78 WeakPolarHBondContact CG-O 3.44Å; Y78-C80 HydrophobicContact CD1-CB 4.07Å; Y78-C80 PolarHBondContact O-N 3.29Å; Y78-L81 PolarHBondContact N-O 3.13Å; Y78-L81 VanDerWaalsContact N-O 3.08Å; Y78-L81 CarbonylContact O-C 3.41Å; Y78-L81 PolarHBondContact O-N 3.17Å |
| 79 | P | 59.1 | Low | 74.2 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.013 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -30 | -179.6 | -10.9 | 9.8 | 0 | 0 | 0 | 113.3 | W41 E45 I46 Y55 E76 | W41-P79 HydrophobicContact CB-CB 3.86Å; W41-P79 HydrophobicContact CB-CG 3.74Å; W41-P79 HydrophobicContact CD2-CB 4.46Å; W41-P79 HydrophobicContact CD2-CG 3.52Å; W41-P79 VanDerWaalsContact CE2-CD 3.45Å; W41-P79 HydrophobicContact CE3-CG 3.98Å; W41-P79 HydrophobicContact CG-CB 3.83Å; W41-P79 HydrophobicContact CG-CG 3.39Å; E45-P79 HydrophobicContact CB-CB 4.35Å; E45-P79 HydrophobicContact CB-CG 4.03Å; I46-P79 HydrophobicContact CG1-CB 4.19Å; Y55-P79 PolarHBondContact OH-O 3.19Å; E76-P79 WeakPolarHBondContact OE1-CA 2.98Å |
| 80 | C | 63.9 | Low | 73.8 | Confident | 30 Ų | 30 | 37.9 Ų | 37.9 | 20% | 0.203 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -2.4 | -175.9 | -59.1 | 0 | 0 | 0 | 0 | 114.2 | C49 I52 Y78 | C49-C80 VanDerWaalsContact CA-SG 3.51Å; C49-C80 HydrophobicContact CB-CB 4.23Å; C49-C80 WeakPolarHBondContact CB-SG 3.37Å; C49-C80 WeakPolarHBondContact SG-CA 3.47Å; C49-C80 WeakPolarHBondContact SG-CB 3.41Å; C49-C80 CovalentContact SG-SG 2.05Å; C49-C80 PolarHBondContact SG-SG 3.34Å; I52-C80 HydrophobicContact CD1-CB 3.09Å; I52-C80 WeakPolarHBondContact CD1-O 3.44Å; I52-C80 VanDerWaalsContact CD1-SG 3.58Å; I52-C80 HydrophobicContact CG1-CB 4.46Å; Y78-C80 HydrophobicContact CD1-CB 4.07Å; Y78-C80 PolarHBondContact O-N 3.29Å |
| 81 | L | 69.1 | Low | 73.3 | Confident | 53 Ų | 53 | 38.3 Ų | 38.3 | 28% | 0.277 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 123.2 | -172.4 | -176.1 | 65.7 | 0 | 0 | 0 | 111.4 | V77 Y78 M104 | V77-L81 HydrophobicContact CB-CB 4.45Å; V77-L81 HydrophobicContact CB-CD2 4.08Å; V77-L81 HydrophobicContact CB-CG 4.18Å; V77-L81 HydrophobicContact CG1-CD2 4.09Å; V77-L81 PolarHBondContact N-O 3.32Å; Y78-L81 PolarHBondContact N-O 3.13Å; Y78-L81 VanDerWaalsContact N-O 3.08Å; Y78-L81 CarbonylContact O-C 3.41Å; Y78-L81 PolarHBondContact O-N 3.17Å; L81-M104 HydrophobicContact CD2-CE 3.75Å; L81-M104 HydrophobicContact CD2-SD 3.55Å; L81-M104 VanDerWaalsContact CD2-SD 3.55Å |
| 82 | S | 76.3 | Confident | 73.1 | Confident | 7 Ų | 7 | 41 Ų | 41 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 140.6 | 174.1 | 63.8 | 0 | 0 | 0 | 0 | 110.8 | Y55 S56 C57 F75 | Y55-S82 WeakPolarHBondContact CA-OG 3.39Å; Y55-S82 WeakPolarHBondContact CD1-OG 3.5Å; S56-S82 WeakPolarHBondContact CB-O 3.41Å; S56-S82 PolarHBondContact N-O 3.05Å; S56-S82 PolarHBondContact OG-O 2.85Å; C57-S82 PolarHBondContact N-OG 3.18Å; C57-S82 WeakPolarHBondContact O-CB 3.28Å; C57-S82 PolarHBondContact O-OG 2.92Å; F75-S82 CarbonylContact O-C 3.54Å; F75-S82 WeakPolarHBondContact O-CA 3Å |
| 83 | S | 80.5 | Confident | 72.5 | Confident | 50 Ų | 50 | 47.9 Ų | 47.9 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 143.9 | 175.7 | -160.9 | 0 | 0 | 0 | 0 | 112 | S56 F75 I85 | S56-S83 WeakPolarHBondContact OG-CA 3.38Å; F75-S83 PolarHBondContact N-O 2.86Å; F75-S83 PolarHBondContact O-N 3.02Å; S83-I85 PolarHBondContact O-N 2.03Å |
| 84 | C | 78.4 | Confident | 72.2 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 10% | 0.095 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 117.3 | 163.4 | -64.7 | 0 | 0 | 0 | 0 | 109.2 | S56 C63 Y67 M72 V73 | S56-C84 PolarHBondContact OG-N 3.12Å; C63-C84 WeakPolarHBondContact CA-SG 3.38Å; C63-C84 HydrophobicContact CB-CB 3.73Å; C63-C84 WeakPolarHBondContact CB-SG 3.49Å; C63-C84 WeakPolarHBondContact SG-CA 3.38Å; C63-C84 WeakPolarHBondContact SG-CB 3.35Å; C63-C84 CovalentContact SG-SG 2.03Å; C63-C84 PolarHBondContact SG-SG 3Å; Y67-C84 HydrophobicContact CD2-CB 4.2Å; Y67-C84 HydrophobicContact CE2-CB 3.65Å; M72-C84 HydrophobicContact CE-CB 3.92Å; V73-C84 WeakPolarHBondContact O-CA 3.36Å |
| 85 | I | 77 | Confident | 71.9 | Confident | 9 Ų | 9 | 57.4 Ų | 57.4 | 5% | 0.046 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 160.4 | 179.2 | 68.3 | 171.5 | 0 | 0 | 0 | 110.3 | M72 V73 F75 S83 L90 F96 | M72-I85 CarbonylContact C-O 3.47Å; M72-I85 VanDerWaalsContact CA-O 3.27Å; M72-I85 WeakPolarHBondContact CA-O 3.27Å; V73-I85 HydrophobicContact CG2-CG1 4.06Å; V73-I85 PolarHBondContact N-O 2.83Å; V73-I85 PolarHBondContact O-N 3.39Å; F75-I85 HydrophobicContact CB-CD1 3.41Å; F75-I85 VanDerWaalsContact CB-CD1 3.41Å; F75-I85 HydrophobicContact CB-CG1 3.59Å; F75-I85 HydrophobicContact CB-CG2 4.26Å; F75-I85 HydrophobicContact CD1-CD1 4.21Å; F75-I85 HydrophobicContact CD2-CD1 3.8Å; F75-I85 HydrophobicContact CG-CD1 3.53Å; F75-I85 HydrophobicContact CG-CG1 4.28Å; S83-I85 PolarHBondContact O-N 2.03Å; I85-L90 HydrophobicContact CD1-CD1 4.38Å; I85-L90 HydrophobicContact CD1-CD2 3.57Å; I85-L90 HydrophobicContact CD1-CG 3.79Å; I85-F96 HydrophobicContact CD1-CE2 3.96Å; I85-F96 HydrophobicContact CD1-CZ 4.18Å; I85-F96 HydrophobicContact CG2-CE2 4.39Å |
| 86 | F | 79.2 | Confident | 71.5 | Confident | 26 Ų | 26 | 56.5 Ų | 56.5 | 11% | 0.114 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 141.3 | 172.2 | -64.2 | -106.8 | 0 | 0 | 0 | 110.1 | R69 D71 M72 A88 Q89 V120 | R69-F86 VanDerWaalsContact NH1-CE1 3.26Å; D71-F86 CarbonylContact O-C 3.54Å; D71-F86 WeakPolarHBondContact O-CA 3.28Å; M72-F86 HydrophobicContact CG-CD1 4.4Å; F86-A88 HydrophobicContact CB-CB 4.38Å; F86-A88 PolarHBondContact O-N 2.95Å; F86-Q89 HydrophobicContact CB-CG 4.28Å; F86-Q89 WeakPolarHBondContact O-CB 3.38Å; F86-Q89 PolarHBondContact O-N 2.03Å; F86-V120 HydrophobicContact CB-CG1 4.09Å; F86-V120 HydrophobicContact CD1-CB 4.34Å; F86-V120 HydrophobicContact CD1-CG1 3.3Å; F86-V120 HydrophobicContact CD2-CB 4.48Å; F86-V120 HydrophobicContact CD2-CG1 3.72Å; F86-V120 HydrophobicContact CD2-CG2 4.41Å; F86-V120 HydrophobicContact CE1-CB 3.88Å; F86-V120 HydrophobicContact CE1-CG1 3.31Å; F86-V120 HydrophobicContact CE2-CB 4.15Å; F86-V120 HydrophobicContact CE2-CG1 3.85Å; F86-V120 HydrophobicContact CE2-CG2 4.09Å; F86-V120 HydrophobicContact CG-CG1 3.46Å; F86-V120 VanDerWaalsContact CG-CG1 3.46Å; F86-V120 HydrophobicContact CZ-CB 3.84Å; F86-V120 HydrophobicContact CZ-CG1 3.66Å; F86-V120 HydrophobicContact CZ-CG2 4.23Å |
| 87 | I | 74.1 | Confident | 71.5 | Confident | 57 Ų | 57 | 56.4 Ų | 56.4 | 29% | 0.292 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.1 | -35.2 | 173.5 | -61.4 | 173 | 0 | 0 | 0 | 110.2 | D71 V73 Q89 L90 Y91 | D71-I87 WeakPolarHBondContact O-CG1 3.24Å; D71-I87 PolarHBondContact O-N 2.91Å; V73-I87 HydrophobicContact CG1-CD1 4.01Å; V73-I87 HydrophobicContact CG1-CG1 3.69Å; V73-I87 HydrophobicContact CG2-CG1 4.15Å; I87-Q89 PolarHBondContact O-N 3.41Å; I87-Q89 VanDerWaalsContact O-N 3.14Å; I87-L90 WeakPolarHBondContact O-CB 3.34Å; I87-L90 PolarHBondContact O-N 3.38Å; I87-Y91 HydrophobicContact CG2-CD2 4.49Å; I87-Y91 HydrophobicContact CG2-CE2 3.73Å; I87-Y91 WeakPolarHBondContact O-CD2 3.2Å |
| 88 | A | 73.3 | Confident | 71.7 | Confident | 22 Ų | 22 | 59.7 Ų | 59.7 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -52.2 | -34.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F86 L90 Y91 T124 L127 | F86-A88 HydrophobicContact CB-CB 4.38Å; F86-A88 PolarHBondContact O-N 2.95Å; A88-L90 VanDerWaalsContact C-N 3.28Å; A88-L90 PolarHBondContact O-N 3.43Å; A88-Y91 PolarHBondContact O-N 2.65Å; A88-T124 HydrophobicContact CB-CG2 4.28Å; A88-T124 WeakPolarHBondContact CB-OG1 3.44Å; A88-L127 HydrophobicContact CB-CD2 4.38Å |
| 89 | Q | 70.2 | Confident | 72 | Confident | 50 Ų | 50 | 55.9 Ų | 55.9 | 23% | 0.234 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.8 | -21.7 | 178.8 | -64.6 | 176.5 | -83.5 | 0 | 0 | 112.7 | F86 I87 F96 | F86-Q89 HydrophobicContact CB-CG 4.28Å; F86-Q89 WeakPolarHBondContact O-CB 3.38Å; F86-Q89 PolarHBondContact O-N 2.03Å; I87-Q89 PolarHBondContact O-N 3.41Å; I87-Q89 VanDerWaalsContact O-N 3.14Å; Q89-F96 HydrophobicContact CB-CD2 4.28Å; Q89-F96 WeakPolarHBondContact O-CB 3.46Å |
| 90 | L | 67.8 | Low | 72.4 | Confident | 58 Ų | 58 | 57.6 Ų | 57.6 | 30% | 0.304 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -78.9 | -21.4 | 178.7 | -67.6 | 176.5 | 0 | 0 | 0 | 113.5 | V73 F75 I85 I87 A88 D92 | V73-L90 HydrophobicContact CG2-CD1 3.9Å; F75-L90 HydrophobicContact CD2-CD2 3.7Å; F75-L90 HydrophobicContact CE2-CD2 3.71Å; I85-L90 HydrophobicContact CD1-CD1 4.38Å; I85-L90 HydrophobicContact CD1-CD2 3.57Å; I85-L90 HydrophobicContact CD1-CG 3.79Å; I87-L90 WeakPolarHBondContact O-CB 3.34Å; I87-L90 PolarHBondContact O-N 3.38Å; A88-L90 VanDerWaalsContact C-N 3.28Å; A88-L90 PolarHBondContact O-N 3.43Å; L90-D92 VanDerWaalsContact C-N 3.3Å |
| 91 | Y | 69.5 | Low | 72.7 | Confident | 128 Ų | 128 | 60.1 Ų | 60.1 | 50% | 0.502 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -73.2 | -24.3 | 179.5 | -71.2 | -73.3 | 0 | 0 | 0 | 112.9 | I87 A88 L127 | I87-Y91 HydrophobicContact CG2-CD2 4.49Å; I87-Y91 HydrophobicContact CG2-CE2 3.73Å; I87-Y91 WeakPolarHBondContact O-CD2 3.2Å; A88-Y91 PolarHBondContact O-N 2.65Å; Y91-L127 HydrophobicContact CD2-CD2 3.75Å; Y91-L127 HydrophobicContact CG-CD2 4.14Å |
| 92 | D | 74.7 | Confident | 72.6 | Confident | 75 Ų | 75 | 64 Ų | 64 | 40% | 0.401 | 31% | 0.306 | S | S | . | . | trans | -113.4 | 76.4 | 175.3 | -172.2 | -13.2 | 0 | 0 | 0 | 109.3 | L90 E94 K95 F96 | L90-D92 VanDerWaalsContact C-N 3.3Å; D92-E94 VanDerWaalsContact C-N 3.29Å; D92-E94 PolarHBondContact O-N 3.38Å; D92-K95 HydrophobicContact CB-CB 4.12Å; D92-K95 PolarHBondContact O-N 3.43Å; D92-K95 WeakPolarHBondContact OD1-CB 3.39Å; D92-K95 PolarHBondContact OD1-N 2.77Å; D92-K95 VanDerWaalsContact OD1-N 3.08Å; D92-K95 VanDerWaalsContact OD2-CB 3.24Å; D92-K95 WeakPolarHBondContact OD2-CB 3.41Å; D92-K95 VanDerWaalsContact OD2-CD 3.28Å; D92-K95 WeakPolarHBondContact OD2-CD 3.19Å; D92-F96 WeakPolarHBondContact O-CB 3.4Å; D92-F96 PolarHBondContact O-N 3.35Å | ||
| 93 | Y | 67.7 | Low | 72 | Confident | 160 Ų | 160 | 67.5 Ų | 67.5 | 63% | 0.627 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.8 | -35.7 | -175.1 | -178.4 | -97.2 | 0 | 0 | 0 | 112.6 | F96 A97 | Y93-F96 PolarHBondContact O-N 3.43Å; Y93-A97 WeakPolarHBondContact O-CB 3.2Å; Y93-A97 PolarHBondContact O-N 3.08Å |
| 94 | E | 73.2 | Confident | 71.1 | Confident | 142 Ų | 142 | 70 Ų | 70 | 66% | 0.664 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.9 | -49.5 | 178.7 | -174.2 | -179.5 | 175 | 0 | 0 | 110.6 | D92 F96 A97 Q98 | D92-E94 VanDerWaalsContact C-N 3.29Å; D92-E94 PolarHBondContact O-N 3.38Å; E94-F96 VanDerWaalsContact C-N 3.31Å; E94-F96 PolarHBondContact O-N 3.36Å; E94-A97 PolarHBondContact O-N 2.81Å; E94-Q98 WeakPolarHBondContact O-CG 3.38Å; E94-Q98 PolarHBondContact O-N 2.86Å |
| 95 | K | 72.1 | Confident | 70.6 | Confident | 97 Ų | 97 | 75.5 Ų | 75.5 | 42% | 0.422 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 175.1 | -172.2 | 175.4 | -176.1 | 175.4 | 0 | 111.4 | D92 A97 Q98 Q99 | D92-K95 HydrophobicContact CB-CB 4.12Å; D92-K95 PolarHBondContact O-N 3.43Å; D92-K95 WeakPolarHBondContact OD1-CB 3.39Å; D92-K95 PolarHBondContact OD1-N 2.77Å; D92-K95 VanDerWaalsContact OD1-N 3.08Å; D92-K95 VanDerWaalsContact OD2-CB 3.24Å; D92-K95 WeakPolarHBondContact OD2-CB 3.41Å; D92-K95 VanDerWaalsContact OD2-CD 3.28Å; D92-K95 WeakPolarHBondContact OD2-CD 3.19Å; K95-A97 VanDerWaalsContact C-N 3.35Å; K95-A97 PolarHBondContact O-N 3.34Å; K95-Q98 PolarHBondContact O-N 2.81Å; K95-Q99 WeakPolarHBondContact O-CB 3.35Å; K95-Q99 WeakPolarHBondContact O-CG 3.45Å; K95-Q99 PolarHBondContact O-N 2.9Å |
| 96 | F | 71.4 | Confident | 70.2 | Confident | 10 Ų | 10 | 80.7 Ų | 80.7 | 4% | 0.044 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 175.7 | 179.1 | -104.2 | 0 | 0 | 0 | 112.3 | F75 I85 Q89 D92 Y93 E94 Q98 Q99 I100 | F75-F96 HydrophobicContact CD1-CE1 4.03Å; F75-F96 AromaticContact CD1-CZ 3.53Å; F75-F96 HydrophobicContact CD1-CZ 3.53Å; F75-F96 AromaticContact CE1-CE1 3.28Å; F75-F96 HydrophobicContact CE1-CE1 3.28Å; F75-F96 AromaticContact CE1-CZ 3.26Å; F75-F96 HydrophobicContact CE1-CZ 3.26Å; F75-F96 HydrophobicContact CE2-CE1 4.18Å; F75-F96 HydrophobicContact CE2-CZ 4.47Å; F75-F96 HydrophobicContact CG-CZ 4.26Å; F75-F96 HydrophobicContact CZ-CD1 4.4Å; F75-F96 AromaticContact CZ-CE1 3.37Å; F75-F96 HydrophobicContact CZ-CE1 3.37Å; F75-F96 AromaticContact CZ-CZ 3.78Å; F75-F96 HydrophobicContact CZ-CZ 3.78Å; I85-F96 HydrophobicContact CD1-CE2 3.96Å; I85-F96 HydrophobicContact CD1-CZ 4.18Å; I85-F96 HydrophobicContact CG2-CE2 4.39Å; Q89-F96 HydrophobicContact CB-CD2 4.28Å; Q89-F96 WeakPolarHBondContact O-CB 3.46Å; D92-F96 WeakPolarHBondContact O-CB 3.4Å; D92-F96 PolarHBondContact O-N 3.35Å; Y93-F96 PolarHBondContact O-N 3.43Å; E94-F96 VanDerWaalsContact C-N 3.31Å; E94-F96 PolarHBondContact O-N 3.36Å; F96-Q98 PolarHBondContact O-N 2.88Å; F96-Q99 WeakPolarHBondContact O-CB 3.44Å; F96-Q99 PolarHBondContact O-N 3.08Å; F96-I100 HydrophobicContact CD1-CG1 4.2Å; F96-I100 HydrophobicContact CD2-CG1 4.39Å; F96-I100 HydrophobicContact CE1-CD1 4.29Å; F96-I100 HydrophobicContact CE1-CG1 3.65Å; F96-I100 HydrophobicContact CE2-CD1 3.88Å; F96-I100 HydrophobicContact CE2-CG1 3.89Å; F96-I100 HydrophobicContact CZ-CD1 3.62Å; F96-I100 HydrophobicContact CZ-CG1 3.49Å; F96-I100 VanDerWaalsContact CZ-CG1 3.49Å; F96-I100 WeakPolarHBondContact O-CG1 3.46Å; F96-I100 PolarHBondContact O-N 2.78Å |
| 97 | A | 70.7 | Confident | 69.3 | Low | 41 Ų | 41 | 82.4 Ų | 82.4 | 34% | 0.339 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y93 E94 K95 Q99 I100 E101 | Y93-A97 WeakPolarHBondContact O-CB 3.2Å; Y93-A97 PolarHBondContact O-N 3.08Å; E94-A97 PolarHBondContact O-N 2.81Å; K95-A97 VanDerWaalsContact C-N 3.35Å; K95-A97 PolarHBondContact O-N 3.34Å; A97-Q99 VanDerWaalsContact C-N 3.29Å; A97-Q99 PolarHBondContact O-N 3.02Å; A97-I100 PolarHBondContact O-N 2.87Å; A97-E101 WeakPolarHBondContact O-CB 3.44Å; A97-E101 PolarHBondContact O-N 2.05Å |
| 98 | Q | 73.5 | Confident | 68.9 | Low | 99 Ų | 99 | 82.8 Ų | 82.8 | 46% | 0.463 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 174.3 | -67.8 | 174.1 | 8.5 | 0 | 0 | 112.1 | E94 K95 F96 E101 R102 | E94-Q98 WeakPolarHBondContact O-CG 3.38Å; E94-Q98 PolarHBondContact O-N 2.86Å; K95-Q98 PolarHBondContact O-N 2.81Å; F96-Q98 PolarHBondContact O-N 2.88Å; Q98-E101 PolarHBondContact O-N 3.42Å; Q98-R102 WeakPolarHBondContact O-CB 3.1Å; Q98-R102 VanDerWaalsContact O-CG 3.27Å; Q98-R102 WeakPolarHBondContact O-CG 3.19Å; Q98-R102 PolarHBondContact O-N 3.48Å |
| 99 | Q | 69.5 | Low | 68.2 | Low | 43 Ų | 43 | 85.6 Ų | 85.6 | 20% | 0.201 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64 | -46.2 | 176 | -76.9 | -171.3 | -17.7 | 0 | 0 | 111.6 | K95 F96 A97 R102 L103 V110 | K95-Q99 WeakPolarHBondContact O-CB 3.35Å; K95-Q99 WeakPolarHBondContact O-CG 3.45Å; K95-Q99 PolarHBondContact O-N 2.9Å; F96-Q99 WeakPolarHBondContact O-CB 3.44Å; F96-Q99 PolarHBondContact O-N 3.08Å; A97-Q99 VanDerWaalsContact C-N 3.29Å; A97-Q99 PolarHBondContact O-N 3.02Å; Q99-R102 PolarHBondContact O-N 2.82Å; Q99-L103 PolarHBondContact O-N 3.23Å; Q99-V110 HydrophobicContact CB-CB 4.47Å; Q99-V110 HydrophobicContact CB-CG1 3.36Å; Q99-V110 HydrophobicContact CB-CG2 4.26Å; Q99-V110 HydrophobicContact CG-CG1 3.25Å; Q99-V110 VanDerWaalsContact O-CG2 3.24Å; Q99-V110 WeakPolarHBondContact O-CG2 3.48Å |
| 100 | I | 68 | Low | 67.5 | Low | 39 Ų | 39 | 85.2 Ų | 85.2 | 20% | 0.2 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63 | -42.9 | 175.3 | -67.6 | -57.3 | 0 | 0 | 0 | 111.1 | V77 F96 A97 R102 L103 M104 | V77-I100 HydrophobicContact CG1-CD1 3.87Å; V77-I100 HydrophobicContact CG1-CG1 4.44Å; V77-I100 HydrophobicContact CG1-CG2 3.8Å; V77-I100 HydrophobicContact CG2-CD1 4.07Å; F96-I100 HydrophobicContact CD1-CG1 4.2Å; F96-I100 HydrophobicContact CD2-CG1 4.39Å; F96-I100 HydrophobicContact CE1-CD1 4.29Å; F96-I100 HydrophobicContact CE1-CG1 3.65Å; F96-I100 HydrophobicContact CE2-CD1 3.88Å; F96-I100 HydrophobicContact CE2-CG1 3.89Å; F96-I100 HydrophobicContact CZ-CD1 3.62Å; F96-I100 HydrophobicContact CZ-CG1 3.49Å; F96-I100 VanDerWaalsContact CZ-CG1 3.49Å; F96-I100 WeakPolarHBondContact O-CG1 3.46Å; F96-I100 PolarHBondContact O-N 2.78Å; A97-I100 PolarHBondContact O-N 2.87Å; I100-R102 PolarHBondContact O-N 3.18Å; I100-L103 PolarHBondContact O-N 3.38Å; I100-M104 HydrophobicContact CG2-CG 3.93Å; I100-M104 VanDerWaalsContact O-CB 3.28Å; I100-M104 WeakPolarHBondContact O-CB 3.21Å; I100-M104 WeakPolarHBondContact O-CG 3.46Å; I100-M104 PolarHBondContact O-N 3.48Å |
| 101 | E | 71.1 | Confident | 66.8 | Low | 82 Ų | 82 | 85.3 Ų | 85.3 | 38% | 0.383 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 176.1 | -167.8 | -154.2 | 140 | 0 | 0 | 111.4 | A97 Q98 L103 M104 I105 K106 | A97-E101 WeakPolarHBondContact O-CB 3.44Å; A97-E101 PolarHBondContact O-N 2.05Å; Q98-E101 PolarHBondContact O-N 3.42Å; E101-L103 VanDerWaalsContact C-N 3.3Å; E101-L103 PolarHBondContact O-N 3.05Å; E101-M104 PolarHBondContact O-N 3.38Å; E101-I105 HydrophobicContact CG-CB 4.42Å; E101-I105 HydrophobicContact CG-CD1 3.62Å; E101-I105 HydrophobicContact CG-CG1 4.12Å; E101-I105 WeakPolarHBondContact O-CA 3.16Å; E101-I105 VanDerWaalsContact O-CB 3.26Å; E101-I105 WeakPolarHBondContact O-CB 3.19Å; E101-I105 PolarHBondContact O-N 3.12Å; E101-K106 PolarHBondContact O-N 3.04Å; E101-K106 WeakPolarHBondContact OE1-CE 3.34Å; E101-K106 IonicContact OE1-NZ 3.34Å; E101-K106 PolarHBondContact OE1-NZ 3.16Å |
| 102 | R | 65.8 | Low | 66.2 | Low | 134 Ų | 134 | 84.7 Ų | 84.7 | 51% | 0.506 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.3 | -41.1 | 177.1 | -77.4 | 176.9 | 124.6 | -170.7 | -0.1 | 112.3 | Q98 Q99 I100 K106 G107 I108 | Q98-R102 WeakPolarHBondContact O-CB 3.1Å; Q98-R102 VanDerWaalsContact O-CG 3.27Å; Q98-R102 WeakPolarHBondContact O-CG 3.19Å; Q98-R102 PolarHBondContact O-N 3.48Å; Q99-R102 PolarHBondContact O-N 2.82Å; I100-R102 PolarHBondContact O-N 3.18Å; R102-K106 CarbonylContact O-C 3.54Å; R102-K106 WeakPolarHBondContact O-CA 3.46Å; R102-K106 VanDerWaalsContact O-CB 3.32Å; R102-K106 WeakPolarHBondContact O-CB 3.27Å; R102-K106 PolarHBondContact O-N 2.98Å; R102-G107 PolarHBondContact O-N 3.46Å; R102-G107 VanDerWaalsContact O-N 3.12Å; R102-I108 PolarHBondContact O-N 3.15Å |
| 103 | L | 63.4 | Low | 65.4 | Low | 81 Ų | 81 | 85.6 Ų | 85.6 | 42% | 0.424 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -71.3 | -52.2 | 178.6 | -173.1 | 60.9 | 0 | 0 | 0 | 112 | Q99 I100 E101 G107 I108 V110 | Q99-L103 PolarHBondContact O-N 3.23Å; I100-L103 PolarHBondContact O-N 3.38Å; E101-L103 VanDerWaalsContact C-N 3.3Å; E101-L103 PolarHBondContact O-N 3.05Å; L103-G107 VanDerWaalsContact O-CA 3.31Å; L103-G107 WeakPolarHBondContact O-CA 3.38Å; L103-G107 PolarHBondContact O-N 2.68Å; L103-I108 WeakPolarHBondContact CA-O 3.39Å; L103-V110 HydrophobicContact CB-CG2 3.69Å; L103-V110 HydrophobicContact CD1-CG2 4.4Å; L103-V110 HydrophobicContact CD2-CG2 4.25Å; L103-V110 HydrophobicContact CG-CG2 4.33Å |
| 104 | M | 61.8 | Low | 65.7 | Low | 102 Ų | 102 | 86.5 Ų | 86.5 | 50% | 0.502 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -80 | -37.9 | -168.8 | -66.4 | -61.8 | -65.8 | 0 | 0 | 113 | L81 I100 E101 | L81-M104 HydrophobicContact CD2-CE 3.75Å; L81-M104 HydrophobicContact CD2-SD 3.55Å; L81-M104 VanDerWaalsContact CD2-SD 3.55Å; I100-M104 HydrophobicContact CG2-CG 3.93Å; I100-M104 VanDerWaalsContact O-CB 3.28Å; I100-M104 WeakPolarHBondContact O-CB 3.21Å; I100-M104 WeakPolarHBondContact O-CG 3.46Å; I100-M104 PolarHBondContact O-N 3.48Å; E101-M104 PolarHBondContact O-N 3.38Å |
| 105 | I | 69.2 | Low | 65.6 | Low | 130 Ų | 130 | 83.6 Ų | 83.6 | 67% | 0.667 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -41.6 | -176.7 | -53.3 | -170.6 | 0 | 0 | 0 | 110.6 | E101 | E101-I105 HydrophobicContact CG-CB 4.42Å; E101-I105 HydrophobicContact CG-CD1 3.62Å; E101-I105 HydrophobicContact CG-CG1 4.12Å; E101-I105 WeakPolarHBondContact O-CA 3.16Å; E101-I105 VanDerWaalsContact O-CB 3.26Å; E101-I105 WeakPolarHBondContact O-CB 3.19Å; E101-I105 PolarHBondContact O-N 3.12Å |
| 106 | K | 68.9 | Low | 64.6 | Low | 119 Ų | 119 | 80.5 Ų | 80.5 | 52% | 0.517 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -10.2 | -172.3 | -51.7 | 179.2 | -176.3 | 168.4 | 0 | 113.6 | E101 R102 I108 | E101-K106 PolarHBondContact O-N 3.04Å; E101-K106 WeakPolarHBondContact OE1-CE 3.34Å; E101-K106 IonicContact OE1-NZ 3.34Å; E101-K106 PolarHBondContact OE1-NZ 3.16Å; R102-K106 CarbonylContact O-C 3.54Å; R102-K106 WeakPolarHBondContact O-CA 3.46Å; R102-K106 VanDerWaalsContact O-CB 3.32Å; R102-K106 WeakPolarHBondContact O-CB 3.27Å; R102-K106 PolarHBondContact O-N 2.98Å; K106-I108 HydrophobicContact CB-CD1 3.81Å; K106-I108 HydrophobicContact CB-CG1 3.87Å; K106-I108 HydrophobicContact CD-CD1 4.37Å; K106-I108 PolarHBondContact O-N 2.99Å |
| 107 | G | 60.1 | Low | 63.9 | Low | 61 Ų | 61 | 83.3 Ų | 83.3 | 63% | 0.629 | 45% | 0.447 | S | S | * | . | trans | 65.5 | 15.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | R102 L103 | R102-G107 PolarHBondContact O-N 3.46Å; R102-G107 VanDerWaalsContact O-N 3.12Å; L103-G107 VanDerWaalsContact O-CA 3.31Å; L103-G107 WeakPolarHBondContact O-CA 3.38Å; L103-G107 PolarHBondContact O-N 2.68Å | ||
| 108 | I | 65.6 | Low | 63.6 | Low | 66 Ų | 66 | 84.7 Ų | 84.7 | 34% | 0.338 | 45% | 0.449 | S | S | . | . | trans | -88.6 | 126.2 | -176.2 | -58.6 | 173 | 0 | 0 | 0 | 108.2 | R102 L103 K106 V110 | R102-I108 PolarHBondContact O-N 3.15Å; L103-I108 WeakPolarHBondContact CA-O 3.39Å; K106-I108 HydrophobicContact CB-CD1 3.81Å; K106-I108 HydrophobicContact CB-CG1 3.87Å; K106-I108 HydrophobicContact CD-CD1 4.37Å; K106-I108 PolarHBondContact O-N 2.99Å; I108-V110 PolarHBondContact O-N 3.29Å | ||
| 109 | P | 57.3 | Low | 63 | Low | 80 Ų | 80 | 82.9 Ų | 82.9 | 52% | 0.519 | 44% | 0.44 | S | S | . | . | trans | -61 | 135.9 | 175.3 | -7.7 | 18.7 | 0 | 0 | 0 | 110.1 | N111 N112 | P109-N111 VanDerWaalsContact C-N 3.33Å; P109-N112 VanDerWaalsContact CB-OD1 3.31Å; P109-N112 WeakPolarHBondContact CB-OD1 3.34Å; P109-N112 PolarHBondContact O-OD1 3.44Å | ||
| 110 | V | 55.6 | Low | 62.3 | Low | 42 Ų | 42 | 81.5 Ų | 81.5 | 26% | 0.255 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -75.2 | -29.4 | -171.7 | -179.4 | 0 | 0 | 0 | 0 | 112 | Q99 L103 I108 | Q99-V110 HydrophobicContact CB-CB 4.47Å; Q99-V110 HydrophobicContact CB-CG1 3.36Å; Q99-V110 HydrophobicContact CB-CG2 4.26Å; Q99-V110 HydrophobicContact CG-CG1 3.25Å; Q99-V110 VanDerWaalsContact O-CG2 3.24Å; Q99-V110 WeakPolarHBondContact O-CG2 3.48Å; L103-V110 HydrophobicContact CB-CG2 3.69Å; L103-V110 HydrophobicContact CD1-CG2 4.4Å; L103-V110 HydrophobicContact CD2-CG2 4.25Å; L103-V110 HydrophobicContact CG-CG2 4.33Å; I108-V110 PolarHBondContact O-N 3.29Å |
| 111 | N | 54.5 | Low | 62.1 | Low | 60 Ų | 60 | 85.2 Ų | 85.2 | 32% | 0.321 | 45% | 0.445 | S | S | . | . | trans | -124.6 | 89.4 | -176 | -153.9 | -3.9 | 0 | 0 | 0 | 108.5 | P109 H113 A116 | P109-N111 VanDerWaalsContact C-N 3.33Å; N111-H113 PolarHBondContact O-N 2.69Å; N111-H113 PolarHBondContact OD1-CD2 3.4Å; N111-A116 HydrophobicContact CB-CB 4.43Å; N111-A116 WeakPolarHBondContact ND2-CB 3.32Å | ||
| 112 | N | 56.1 | Low | 62.1 | Low | 115 Ų | 115 | 87.8 Ų | 87.8 | 62% | 0.615 | 46% | 0.458 | S | S | * | . | trans | -88.5 | 15.1 | 177.8 | -63.9 | -10.7 | 0 | 0 | 0 | 112.1 | P109 | P109-N112 VanDerWaalsContact CB-OD1 3.31Å; P109-N112 WeakPolarHBondContact CB-OD1 3.34Å; P109-N112 PolarHBondContact O-OD1 3.44Å | ||
| 113 | H | 59.1 | Low | 62.1 | Low | 94 Ų | 94 | 86.6 Ų | 86.6 | 44% | 0.435 | 46% | 0.456 | S | S | . | . | trans | -72.5 | 133 | 175.5 | -81.1 | -73.3 | 0 | 0 | 0 | 110.1 | N111 D115 A116 F119 | N111-H113 PolarHBondContact O-N 2.69Å; N111-H113 PolarHBondContact OD1-CD2 3.4Å; H113-D115 PolarHBondContact O-N 3.49Å; H113-A116 PolarHBondContact O-N 3.19Å; H113-F119 HydrophobicContact CB-CB 4.4Å; H113-F119 AromaticContact CD2-CD1 3.66Å; H113-F119 AromaticContact CD2-CD2 3.78Å; H113-F119 AromaticContact CD2-CE1 3.88Å; H113-F119 AromaticContact CD2-CE2 3.99Å; H113-F119 AromaticContact CD2-CG 3.59Å; H113-F119 AromaticContact CE1-CD2 3.64Å; H113-F119 AromaticContact CE1-CE2 3.73Å; H113-F119 AromaticContact CG-CG 3.98Å; H113-F119 AromaticContact NE2-CD1 3.97Å; H113-F119 AromaticContact NE2-CD2 3.44Å; H113-F119 WeakPolarHBondContact NE2-CD2 3.43Å; H113-F119 AromaticContact NE2-CE1 3.85Å; H113-F119 AromaticContact NE2-CE2 3.29Å; H113-F119 VanDerWaalsContact NE2-CE2 3.29Å; H113-F119 WeakPolarHBondContact NE2-CE2 3.46Å; H113-F119 AromaticContact NE2-CG 3.77Å; H113-F119 AromaticContact NE2-CZ 3.5Å; H113-F119 WeakPolarHBondContact NE2-CZ 2.99Å | ||
| 114 | D | 71.9 | Confident | 62 | Low | 180 Ų | 180 | 83 Ų | 83 | 96% | 0.963 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -37.1 | 175.2 | -61.1 | -31.3 | 0 | 0 | 0 | 111.5 | ||
| 115 | D | 72 | Confident | 62.3 | Low | 80 Ų | 80 | 84 Ų | 84 | 43% | 0.428 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | 75.9 | 171.2 | -169.2 | -16.2 | 0 | 0 | 0 | 111 | H113 V117 N118 F119 | H113-D115 PolarHBondContact O-N 3.49Å; D115-V117 PolarHBondContact O-N 3.18Å; D115-V117 PolarHBondContact OD1-N 2.7Å; D115-N118 PolarHBondContact O-N 3.31Å; D115-N118 PolarHBondContact OD1-N 3.47Å; D115-N118 WeakPolarHBondContact OD2-CB 3.28Å; D115-N118 PolarHBondContact OD2-ND2 3.28Å; D115-F119 PolarHBondContact O-N 3.48Å; D115-F119 VanDerWaalsContact O-N 3.17Å |
| 116 | A | 51.7 | Low | 62.4 | Low | 32 Ų | 32 | 83.4 Ų | 83.4 | 26% | 0.264 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -53.8 | -31 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N111 H113 V120 | N111-A116 HydrophobicContact CB-CB 4.43Å; N111-A116 WeakPolarHBondContact ND2-CB 3.32Å; H113-A116 PolarHBondContact O-N 3.19Å; A116-V120 VanDerWaalsContact O-CG2 3.27Å; A116-V120 WeakPolarHBondContact O-CG2 3.47Å; A116-V120 PolarHBondContact O-N 3.47Å |
| 117 | V | 56.7 | Low | 62.1 | Low | 70 Ų | 70 | 80.1 Ų | 80.1 | 42% | 0.424 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -73.5 | -49.7 | -175.6 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | D115 V120 R121 | D115-V117 PolarHBondContact O-N 3.18Å; D115-V117 PolarHBondContact OD1-N 2.7Å; V117-V120 PolarHBondContact O-N 2.89Å; V117-R121 WeakPolarHBondContact O-CG 3.36Å; V117-R121 PolarHBondContact O-N 3.38Å |
| 118 | N | 63.4 | Low | 62.3 | Low | 69 Ų | 69 | 77.7 Ų | 77.7 | 37% | 0.369 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69 | -37.3 | -179.9 | -79 | -28.3 | 0 | 0 | 0 | 112.1 | D115 V120 R121 E122 | D115-N118 PolarHBondContact O-N 3.31Å; D115-N118 PolarHBondContact OD1-N 3.47Å; D115-N118 WeakPolarHBondContact OD2-CB 3.28Å; D115-N118 PolarHBondContact OD2-ND2 3.28Å; N118-V120 VanDerWaalsContact C-N 3.31Å; N118-V120 PolarHBondContact O-N 2.82Å; N118-R121 WeakPolarHBondContact O-CB 3.47Å; N118-R121 PolarHBondContact O-N 3.03Å; N118-R121 VanDerWaalsContact O-N 3.15Å; N118-R121 PolarHBondContact OD1-NH1 3.4Å; N118-E122 PolarHBondContact O-N 2.95Å |
| 119 | F | 61.6 | Low | 62.7 | Low | 62 Ų | 62 | 80.3 Ų | 80.3 | 27% | 0.272 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -55.2 | -46.8 | 172.9 | 176.5 | -100 | 0 | 0 | 0 | 112.1 | H113 D115 E122 K123 | H113-F119 HydrophobicContact CB-CB 4.4Å; H113-F119 AromaticContact CD2-CD1 3.66Å; H113-F119 AromaticContact CD2-CD2 3.78Å; H113-F119 AromaticContact CD2-CE1 3.88Å; H113-F119 AromaticContact CD2-CE2 3.99Å; H113-F119 AromaticContact CD2-CG 3.59Å; H113-F119 AromaticContact CE1-CD2 3.64Å; H113-F119 AromaticContact CE1-CE2 3.73Å; H113-F119 AromaticContact CG-CG 3.98Å; H113-F119 AromaticContact NE2-CD1 3.97Å; H113-F119 AromaticContact NE2-CD2 3.44Å; H113-F119 WeakPolarHBondContact NE2-CD2 3.43Å; H113-F119 AromaticContact NE2-CE1 3.85Å; H113-F119 AromaticContact NE2-CE2 3.29Å; H113-F119 VanDerWaalsContact NE2-CE2 3.29Å; H113-F119 WeakPolarHBondContact NE2-CE2 3.46Å; H113-F119 AromaticContact NE2-CG 3.77Å; H113-F119 AromaticContact NE2-CZ 3.5Å; H113-F119 WeakPolarHBondContact NE2-CZ 2.99Å; D115-F119 PolarHBondContact O-N 3.48Å; D115-F119 VanDerWaalsContact O-N 3.17Å; F119-E122 PolarHBondContact O-N 2.85Å; F119-K123 HydrophobicContact CD1-CG 4.49Å; F119-K123 HydrophobicContact CE1-CG 4.09Å; F119-K123 HydrophobicContact CE2-CG 4.32Å; F119-K123 HydrophobicContact CZ-CD 4.44Å; F119-K123 HydrophobicContact CZ-CG 4.01Å; F119-K123 WeakPolarHBondContact O-CG 3.27Å; F119-K123 PolarHBondContact O-N 3.34Å; F119-K123 VanDerWaalsContact O-N 3.12Å |
| 120 | V | 55.3 | Low | 63.1 | Low | 14 Ų | 14 | 81.9 Ų | 81.9 | 9% | 0.085 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -69.5 | -36.1 | 179.4 | 180 | 0 | 0 | 0 | 0 | 111.5 | F86 A116 V117 N118 K123 T124 | F86-V120 HydrophobicContact CB-CG1 4.09Å; F86-V120 HydrophobicContact CD1-CB 4.34Å; F86-V120 HydrophobicContact CD1-CG1 3.3Å; F86-V120 HydrophobicContact CD2-CB 4.48Å; F86-V120 HydrophobicContact CD2-CG1 3.72Å; F86-V120 HydrophobicContact CD2-CG2 4.41Å; F86-V120 HydrophobicContact CE1-CB 3.88Å; F86-V120 HydrophobicContact CE1-CG1 3.31Å; F86-V120 HydrophobicContact CE2-CB 4.15Å; F86-V120 HydrophobicContact CE2-CG1 3.85Å; F86-V120 HydrophobicContact CE2-CG2 4.09Å; F86-V120 HydrophobicContact CG-CG1 3.46Å; F86-V120 VanDerWaalsContact CG-CG1 3.46Å; F86-V120 HydrophobicContact CZ-CB 3.84Å; F86-V120 HydrophobicContact CZ-CG1 3.66Å; F86-V120 HydrophobicContact CZ-CG2 4.23Å; A116-V120 VanDerWaalsContact O-CG2 3.27Å; A116-V120 WeakPolarHBondContact O-CG2 3.47Å; A116-V120 PolarHBondContact O-N 3.47Å; V117-V120 PolarHBondContact O-N 2.89Å; N118-V120 VanDerWaalsContact C-N 3.31Å; N118-V120 PolarHBondContact O-N 2.82Å; V120-K123 PolarHBondContact O-N 2.87Å; V120-T124 WeakPolarHBondContact O-CB 3.29Å; V120-T124 PolarHBondContact O-N 3.26Å; V120-T124 PolarHBondContact O-OG1 3.28Å |
| 121 | R | 63.2 | Low | 63.6 | Low | 116 Ų | 116 | 83.9 Ų | 83.9 | 44% | 0.438 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.7 | -47.1 | 174.4 | -77.5 | 173.7 | 166.8 | 175.1 | -7.1 | 111.9 | V117 N118 T124 K125 | V117-R121 WeakPolarHBondContact O-CG 3.36Å; V117-R121 PolarHBondContact O-N 3.38Å; N118-R121 WeakPolarHBondContact O-CB 3.47Å; N118-R121 PolarHBondContact O-N 3.03Å; N118-R121 VanDerWaalsContact O-N 3.15Å; N118-R121 PolarHBondContact OD1-NH1 3.4Å; R121-T124 PolarHBondContact O-N 3.33Å; R121-K125 WeakPolarHBondContact O-CB 3.24Å; R121-K125 PolarHBondContact O-N 3.44Å |
| 122 | E | 71.5 | Confident | 64.5 | Low | 137 Ų | 137 | 88.6 Ų | 88.6 | 64% | 0.64 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.3 | -45.4 | 178 | -71.8 | -177.3 | 171.2 | 0 | 0 | 111.9 | N118 F119 T124 K125 K126 | N118-E122 PolarHBondContact O-N 2.95Å; F119-E122 PolarHBondContact O-N 2.85Å; E122-T124 VanDerWaalsContact C-N 3.33Å; E122-T124 PolarHBondContact O-N 2.68Å; E122-K125 PolarHBondContact O-N 3.37Å; E122-K126 WeakPolarHBondContact O-CB 3.5Å; E122-K126 PolarHBondContact O-N 3.17Å |
| 123 | K | 66 | Low | 64.6 | Low | 108 Ų | 108 | 87.2 Ų | 87.2 | 47% | 0.47 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 176.6 | -67.9 | -61.5 | -177.9 | -171.5 | 0 | 112.2 | F119 V120 K126 L127 | F119-K123 HydrophobicContact CD1-CG 4.49Å; F119-K123 HydrophobicContact CE1-CG 4.09Å; F119-K123 HydrophobicContact CE2-CG 4.32Å; F119-K123 HydrophobicContact CZ-CD 4.44Å; F119-K123 HydrophobicContact CZ-CG 4.01Å; F119-K123 WeakPolarHBondContact O-CG 3.27Å; F119-K123 PolarHBondContact O-N 3.34Å; F119-K123 VanDerWaalsContact O-N 3.12Å; V120-K123 PolarHBondContact O-N 2.87Å; K123-K126 PolarHBondContact O-N 3.34Å; K123-L127 WeakPolarHBondContact O-CB 3.5Å; K123-L127 PolarHBondContact O-N 3.18Å |
| 124 | T | 60.3 | Low | 64.5 | Low | 6 Ų | 6 | 88.4 Ų | 88.4 | 4% | 0.037 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 179.1 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | A88 V120 R121 E122 L127 A128 L135 | A88-T124 HydrophobicContact CB-CG2 4.28Å; A88-T124 WeakPolarHBondContact CB-OG1 3.44Å; V120-T124 WeakPolarHBondContact O-CB 3.29Å; V120-T124 PolarHBondContact O-N 3.26Å; V120-T124 PolarHBondContact O-OG1 3.28Å; R121-T124 PolarHBondContact O-N 3.33Å; E122-T124 VanDerWaalsContact C-N 3.33Å; E122-T124 PolarHBondContact O-N 2.68Å; T124-L127 PolarHBondContact O-N 2.99Å; T124-A128 WeakPolarHBondContact O-CB 3.32Å; T124-A128 PolarHBondContact O-N 3.35Å; T124-L135 HydrophobicContact CG2-CD1 3.47Å; T124-L135 VanDerWaalsContact CG2-CD1 3.47Å; T124-L135 HydrophobicContact CG2-CD2 4.41Å; T124-L135 WeakPolarHBondContact O-CD1 3.31Å |
| 125 | K | 68.9 | Low | 63.6 | Low | 123 Ų | 123 | 82.4 Ų | 82.4 | 54% | 0.535 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.9 | -46 | 173.3 | -174.5 | -179.1 | -179.9 | -178.2 | 0 | 111.7 | R121 E122 A128 Q129 L137 | R121-K125 WeakPolarHBondContact O-CB 3.24Å; R121-K125 PolarHBondContact O-N 3.44Å; E122-K125 PolarHBondContact O-N 3.37Å; K125-A128 PolarHBondContact O-N 3.38Å; K125-Q129 WeakPolarHBondContact O-CG 3.46Å; K125-Q129 PolarHBondContact O-N 3.48Å; K125-Q129 VanDerWaalsContact O-N 3.08Å; K125-L137 HydrophobicContact CB-CD1 4.39Å |
| 126 | K | 71.2 | Confident | 62.4 | Low | 117 Ų | 117 | 83.1 Ų | 83.1 | 51% | 0.509 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 177.2 | -175.7 | 179 | 177.5 | 179.1 | 0 | 111.7 | E122 K123 A128 Q129 D130 | E122-K126 WeakPolarHBondContact O-CB 3.5Å; E122-K126 PolarHBondContact O-N 3.17Å; K123-K126 PolarHBondContact O-N 3.34Å; K126-A128 VanDerWaalsContact C-N 3.28Å; K126-A128 PolarHBondContact O-N 3.33Å; K126-Q129 WeakPolarHBondContact O-CB 3.43Å; K126-Q129 PolarHBondContact O-N 3.2Å; K126-Q129 VanDerWaalsContact O-N 3.12Å; K126-D130 VanDerWaalsContact O-CG 3.31Å; K126-D130 PolarHBondContact O-N 3.29Å |
| 127 | L | 62.8 | Low | 62 | Low | 50 Ų | 50 | 85.8 Ų | 85.8 | 26% | 0.262 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60 | -40.5 | 179.3 | -179.7 | 63.4 | 0 | 0 | 0 | 111.8 | A88 Y91 K123 T124 Q129 D130 L131 | A88-L127 HydrophobicContact CB-CD2 4.38Å; Y91-L127 HydrophobicContact CD2-CD2 3.75Å; Y91-L127 HydrophobicContact CG-CD2 4.14Å; K123-L127 WeakPolarHBondContact O-CB 3.5Å; K123-L127 PolarHBondContact O-N 3.18Å; T124-L127 PolarHBondContact O-N 2.99Å; L127-Q129 VanDerWaalsContact C-N 3.33Å; L127-Q129 PolarHBondContact O-N 3.38Å; L127-D130 PolarHBondContact O-N 2.97Å; L127-L131 HydrophobicContact CD1-CD1 3.81Å; L127-L131 HydrophobicContact CD1-CG 4.04Å; L127-L131 HydrophobicContact CD2-CD1 4.45Å; L127-L131 HydrophobicContact CG-CD1 3.83Å; L127-L131 HydrophobicContact CG-CG 4.37Å; L127-L131 WeakPolarHBondContact O-CB 3.26Å; L127-L131 VanDerWaalsContact O-CG 3.31Å; L127-L131 WeakPolarHBondContact O-CG 3.31Å; L127-L131 PolarHBondContact O-N 3.12Å |
| 128 | A | 64.3 | Low | 61 | Low | 11 Ų | 11 | 85.9 Ų | 85.9 | 9% | 0.091 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65 | -37.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T124 K125 K126 N132 M133 L135 | T124-A128 WeakPolarHBondContact O-CB 3.32Å; T124-A128 PolarHBondContact O-N 3.35Å; K125-A128 PolarHBondContact O-N 3.38Å; K126-A128 VanDerWaalsContact C-N 3.28Å; K126-A128 PolarHBondContact O-N 3.33Å; A128-N132 PolarHBondContact O-N 3.44Å; A128-M133 PolarHBondContact O-N 3.31Å; A128-L135 HydrophobicContact CB-CD1 3.25Å; A128-L135 HydrophobicContact CB-CD2 4.3Å; A128-L135 HydrophobicContact CB-CG 3.4Å; A128-L135 VanDerWaalsContact CB-CG 3.4Å |
| 129 | Q | 73.1 | Confident | 59.5 | Low | 121 Ų | 121 | 85.6 Ų | 85.6 | 57% | 0.565 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.7 | -47.9 | 170.8 | -70.3 | 172.9 | -27.6 | 0 | 0 | 110.9 | K125 K126 L127 L131 N132 | K125-Q129 WeakPolarHBondContact O-CG 3.46Å; K125-Q129 PolarHBondContact O-N 3.48Å; K125-Q129 VanDerWaalsContact O-N 3.08Å; K126-Q129 WeakPolarHBondContact O-CB 3.43Å; K126-Q129 PolarHBondContact O-N 3.2Å; K126-Q129 VanDerWaalsContact O-N 3.12Å; L127-Q129 VanDerWaalsContact C-N 3.33Å; L127-Q129 PolarHBondContact O-N 3.38Å; Q129-L131 PolarHBondContact O-N 2.86Å; Q129-N132 PolarHBondContact O-N 3.26Å; Q129-N132 VanDerWaalsContact O-N 3.11Å |
| 130 | D | 65.5 | Low | 58.2 | Low | 113 Ų | 113 | 93 Ų | 93 | 60% | 0.604 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.7 | -32.7 | 179.6 | -66.1 | -19.1 | 0 | 0 | 0 | 112.1 | K126 L127 | K126-D130 VanDerWaalsContact O-CG 3.31Å; K126-D130 PolarHBondContact O-N 3.29Å; L127-D130 PolarHBondContact O-N 2.97Å |
| 131 | L | 67.5 | Low | 58.4 | Low | 83 Ų | 83 | 97 Ų | 97 | 44% | 0.435 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 1.3 | 178.1 | -65.6 | 176.4 | 0 | 0 | 0 | 114.2 | L127 Q129 M133 | L127-L131 HydrophobicContact CD1-CD1 3.81Å; L127-L131 HydrophobicContact CD1-CG 4.04Å; L127-L131 HydrophobicContact CD2-CD1 4.45Å; L127-L131 HydrophobicContact CG-CD1 3.83Å; L127-L131 HydrophobicContact CG-CG 4.37Å; L127-L131 WeakPolarHBondContact O-CB 3.26Å; L127-L131 VanDerWaalsContact O-CG 3.31Å; L127-L131 WeakPolarHBondContact O-CG 3.31Å; L127-L131 PolarHBondContact O-N 3.12Å; Q129-L131 PolarHBondContact O-N 2.86Å; L131-M133 HydrophobicContact CB-CB 4.48Å; L131-M133 HydrophobicContact CB-CG 3.92Å; L131-M133 HydrophobicContact CB-SD 4.09Å; L131-M133 HydrophobicContact CD1-SD 4.03Å; L131-M133 PolarHBondContact O-N 3.19Å |
| 132 | N | 73.1 | Confident | 58.1 | Low | 159 Ų | 159 | 95.9 Ų | 95.9 | 85% | 0.85 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 36.5 | -171.2 | -84.5 | -21.5 | 0 | 0 | 0 | 113.7 | A128 Q129 | A128-N132 PolarHBondContact O-N 3.44Å; Q129-N132 PolarHBondContact O-N 3.26Å; Q129-N132 VanDerWaalsContact O-N 3.11Å |
| 133 | M | 57.2 | Low | 57.4 | Low | 87 Ų | 87 | 93.7 Ų | 93.7 | 43% | 0.429 | 54% | 0.539 | S | S | . | . | trans | -99.1 | 132.2 | 177.9 | -70.7 | -178.2 | 61.5 | 0 | 0 | 110.9 | A128 L131 L135 | A128-M133 PolarHBondContact O-N 3.31Å; L131-M133 HydrophobicContact CB-CB 4.48Å; L131-M133 HydrophobicContact CB-CG 3.92Å; L131-M133 HydrophobicContact CB-SD 4.09Å; L131-M133 HydrophobicContact CD1-SD 4.03Å; L131-M133 PolarHBondContact O-N 3.19Å; M133-L135 PolarHBondContact O-N 3.47Å | ||
| 134 | S | 58 | Low | 56.9 | Low | 118 Ų | 118 | 92.8 Ų | 92.8 | 83% | 0.825 | 54% | 0.543 | S | S | * | . | trans | -76.7 | 109.3 | 164.2 | 59.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 135 | L | 52.1 | Low | 56.7 | Low | 55 Ų | 55 | 98.3 Ų | 98.3 | 29% | 0.288 | 57% | 0.574 | S | S | . | * | trans | -78.7 | 140.6 | 169.3 | -68.6 | 167.7 | 0 | 0 | 0 | 109.9 | T124 A128 M133 L137 | T124-L135 HydrophobicContact CG2-CD1 3.47Å; T124-L135 VanDerWaalsContact CG2-CD1 3.47Å; T124-L135 HydrophobicContact CG2-CD2 4.41Å; T124-L135 WeakPolarHBondContact O-CD1 3.31Å; A128-L135 HydrophobicContact CB-CD1 3.25Å; A128-L135 HydrophobicContact CB-CD2 4.3Å; A128-L135 HydrophobicContact CB-CG 3.4Å; A128-L135 VanDerWaalsContact CB-CG 3.4Å; M133-L135 PolarHBondContact O-N 3.47Å; L135-L137 HydrophobicContact CB-CB 4.5Å; L135-L137 HydrophobicContact CB-CD1 4.13Å; L135-L137 HydrophobicContact CB-CG 3.68Å; L135-L137 HydrophobicContact CD1-CD1 3.63Å; L135-L137 HydrophobicContact CD1-CD2 4.3Å; L135-L137 HydrophobicContact CD1-CG 3.84Å; L135-L137 HydrophobicContact CG-CG 4.46Å; L135-L137 PolarHBondContact O-N 3Å | ||
| 136 | P | 46.8 | Very low | 55.9 | Low | 95 Ų | 95 | 96.6 Ų | 96.6 | 62% | 0.617 | 58% | 0.577 | S | S | * | * | trans | -73.9 | 65.9 | 160.6 | 33 | -32.6 | 0 | 0 | 0 | 108.8 | G138 | P136-G138 PolarHBondContact O-N 3.23Š| ||
| 137 | L | 44.3 | Very low | 54.8 | Low | 88 Ų | 88 | 95.1 Ų | 95.1 | 46% | 0.461 | 58% | 0.582 | S | S | . | * | trans | -79.4 | 58.7 | 165.5 | -68.9 | 172.3 | 0 | 0 | 0 | 108.2 | K125 L135 | K125-L137 HydrophobicContact CB-CD1 4.39Å; L135-L137 HydrophobicContact CB-CB 4.5Å; L135-L137 HydrophobicContact CB-CD1 4.13Å; L135-L137 HydrophobicContact CB-CG 3.68Å; L135-L137 HydrophobicContact CD1-CD1 3.63Å; L135-L137 HydrophobicContact CD1-CD2 4.3Å; L135-L137 HydrophobicContact CD1-CG 3.84Å; L135-L137 HydrophobicContact CG-CG 4.46Å; L135-L137 PolarHBondContact O-N 3Å | ||
| 138 | G | 33.9 | Very low | 54.1 | Low | 71 Ų | 71 | 98.6 Ų | 98.6 | 73% | 0.732 | 61% | 0.606 | S | S | * | * | trans | -105.1 | 104 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | P136 | P136-G138 PolarHBondContact O-N 3.23Š| ||
| 139 | G | 33.7 | Very low | 53.3 | Low | 63 Ų | 63 | 105.9 Ų | 105.9 | 65% | 0.649 | 65% | 0.649 | S | S | * | * | trans | -178.6 | 84.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 140 | T | 34.5 | Very low | 51.5 | Low | 218 Ų | 218 | 104.5 Ų | 104.5 | 100% | 1.337 | 66% | 0.657 | S | S | * | * | trans | -56.4 | 0 | 160.2 | 45.5 | 0 | 0 | 0 | 0 | 110.8 |
Retrieved 140 of 140 residues in 104.6 ms
(Link to these results)