| 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 | 39.3 | Very low | 58.4 | Low | 223 Ų | 223 | 145.9 Ų | 145.9 | 100% | 1.099 | 77% | 0.767 | S | S | * | * | 0 | 118.2 | 0 | -75.5 | 70.2 | 176.8 | 0 | 0 | 105.9 | |||||
| 2 | A | 44 | Very low | 59.8 | Low | 103 Ų | 103 | 145.5 Ų | 145.5 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | trans | -92.9 | 104.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 106 | D4 | A2-D4 PolarHBondContact O-N 2.85Š| ||
| 3 | D | 53.6 | Low | 60.8 | Low | 145 Ų | 145 | 139.8 Ų | 139.8 | 78% | 0.775 | 73% | 0.733 | S | S | * | * | trans | -76.1 | 101.6 | 178.7 | -69.1 | -65.8 | 0 | 0 | 0 | 109 | Y5 | D3-Y5 PolarHBondContact O-N 3.19Š| ||
| 4 | D | 51.3 | Low | 62.1 | Low | 154 Ų | 154 | 143 Ų | 143 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | trans | -81 | 91.2 | 168.1 | -176 | -109.1 | 0 | 0 | 0 | 108.4 | A2 | A2-D4 PolarHBondContact O-N 2.85Š| ||
| 5 | Y | 48 | Very low | 63.1 | Low | 220 Ų | 220 | 138.9 Ų | 138.9 | 86% | 0.863 | 72% | 0.722 | S | S | * | * | trans | -151.2 | 106.8 | 163.9 | -92.3 | -91.6 | 0 | 0 | 0 | 105.5 | D3 | D3-Y5 PolarHBondContact O-N 3.19Š| ||
| 6 | D | 58.9 | Low | 64.4 | Low | 99 Ų | 99 | 134.4 Ų | 134.4 | 53% | 0.529 | 70% | 0.703 | S | S | . | * | -169.1 | 116.7 | 123.8 | -140.7 | 6.8 | 0 | 0 | 0 | 114.7 | S8 | D6-S8 VanDerWaalsContact CG-N 3.3Å; D6-S8 VanDerWaalsContact CG-OG 3.28Å; D6-S8 VanDerWaalsContact OD1-CA 3.32Å; D6-S8 WeakPolarHBondContact OD1-CA 3.34Å; D6-S8 WeakPolarHBondContact OD1-CB 3.42Å; D6-S8 PolarHBondContact OD1-N 3.3Å; D6-S8 PolarHBondContact OD1-OG 3.45Å; D6-S8 VanDerWaalsContact OD1-OG 3.12Å; D6-S8 WeakPolarHBondContact OD2-CB 3.38Å; D6-S8 PolarHBondContact OD2-OG 3.35Å | |||
| 7 | S | 59.6 | Low | 65.6 | Low | 133 Ų | 133 | 136.1 Ų | 136.1 | 93% | 0.93 | 70% | 0.703 | S | S | * | * | trans | -102.4 | 10.4 | 154.7 | 52.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 8 | S | 67.8 | Low | 66.4 | Low | 57 Ų | 57 | 135.5 Ų | 135.5 | 40% | 0.399 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -79.7 | 148.7 | 169.5 | 110.2 | 0 | 0 | 0 | 0 | 111 | D6 D10 | D6-S8 VanDerWaalsContact CG-N 3.3Å; D6-S8 VanDerWaalsContact CG-OG 3.28Å; D6-S8 VanDerWaalsContact OD1-CA 3.32Å; D6-S8 WeakPolarHBondContact OD1-CA 3.34Å; D6-S8 WeakPolarHBondContact OD1-CB 3.42Å; D6-S8 PolarHBondContact OD1-N 3.3Å; D6-S8 PolarHBondContact OD1-OG 3.45Å; D6-S8 VanDerWaalsContact OD1-OG 3.12Å; D6-S8 WeakPolarHBondContact OD2-CB 3.38Å; D6-S8 PolarHBondContact OD2-OG 3.35Å; S8-D10 PolarHBondContact O-N 2.59Å; S8-D10 PolarHBondContact OG-N 2.9Å; S8-D10 VanDerWaalsContact OG-N 3.12Å; S8-D10 PolarHBondContact OG-O 3.12Å |
| 9 | K | 71.4 | Confident | 66.8 | Low | 203 Ų | 203 | 133.6 Ų | 133.6 | 88% | 0.883 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -75.1 | -11.5 | 176.7 | -64.8 | -179.1 | 179.5 | 177.6 | 0 | 111.8 | ||
| 10 | D | 77.1 | Confident | 67.3 | Low | 123 Ų | 123 | 134.9 Ų | 134.9 | 66% | 0.658 | 69% | 0.687 | S | S | * | * | trans | -104.7 | 110.5 | -167.1 | -59.9 | -49.3 | 0 | 0 | 0 | 110.6 | S8 | S8-D10 PolarHBondContact O-N 2.59Å; S8-D10 PolarHBondContact OG-N 2.9Å; S8-D10 VanDerWaalsContact OG-N 3.12Å; S8-D10 PolarHBondContact OG-O 3.12Å | ||
| 11 | K | 72 | Confident | 67.8 | Low | 145 Ų | 145 | 136.2 Ų | 136.2 | 63% | 0.63 | 69% | 0.691 | S | S | * | * | trans | -92 | 114.2 | 174.3 | -63.7 | -174.8 | -176.7 | -178.1 | 0 | 110.2 | ||||
| 12 | I | 74.8 | Confident | 69.3 | Low | 141 Ų | 141 | 130.1 Ų | 130.1 | 72% | 0.723 | 66% | 0.662 | S | S | * | * | trans | -89.4 | 119.1 | 174.3 | -57.4 | 174.6 | 0 | 0 | 0 | 109.2 | F14 | I12-F14 HydrophobicContact CG2-CD2 4.49Å; I12-F14 HydrophobicContact CG2-CE2 3.94Å; I12-F14 HydrophobicContact CG2-CZ 4.01Å | ||
| 13 | I | 73.1 | Confident | 70.6 | Confident | 71 Ų | 71 | 130 Ų | 130 | 36% | 0.364 | 65% | 0.653 | S | S | . | * | trans | -116.3 | 122.1 | 178.2 | -54.5 | 148.1 | 0 | 0 | 0 | 108.7 | V15 A30 L31 | I13-V15 HydrophobicContact CG2-CG2 4.14Å; I13-A30 WeakPolarHBondContact CD1-O 3.1Å; I13-A30 HydrophobicContact CG2-CB 4.28Å; I13-L31 HydrophobicContact CD1-CD2 3.9Å | ||
| 14 | F | 79.1 | Confident | 71.3 | Confident | 185 Ų | 185 | 129.6 Ų | 129.6 | 81% | 0.811 | 65% | 0.65 | S | S | * | * | trans | -87.3 | 123.8 | 173 | -64.9 | -83.9 | 0 | 0 | 0 | 109.8 | I12 | I12-F14 HydrophobicContact CG2-CD2 4.49Å; I12-F14 HydrophobicContact CG2-CE2 3.94Å; I12-F14 HydrophobicContact CG2-CZ 4.01Å | ||
| 15 | V | 76.9 | Confident | 71.9 | Confident | 81 Ų | 81 | 129.7 Ų | 129.7 | 49% | 0.491 | 64% | 0.638 | S | S | . | * | trans | -115.2 | 131.5 | -176.6 | -176.4 | 0 | 0 | 0 | 0 | 109 | I13 Q19 Q20 | I13-V15 HydrophobicContact CG2-CG2 4.14Å; V15-Q19 HydrophobicContact CG1-CB 3.48Å; V15-Q19 VanDerWaalsContact CG1-CB 3.48Å; V15-Q20 HydrophobicContact CG1-CB 4.32Å | ||
| 16 | T | 83.9 | Confident | 72.6 | Confident | 68 Ų | 68 | 126 Ų | 126 | 42% | 0.417 | 64% | 0.642 | S | S | . | * | trans | -77.5 | 163.6 | 173.5 | 80.2 | 0 | 0 | 0 | 0 | 111.4 | E18 Q19 Q20 | T16-E18 VanDerWaalsContact CB-OE2 3.22Å; T16-E18 WeakPolarHBondContact CB-OE2 3.39Å; T16-E18 PolarHBondContact O-N 3.12Å; T16-E18 PolarHBondContact OG1-OE2 2.83Å; T16-Q19 PolarHBondContact O-N 3.3Å; T16-Q19 VanDerWaalsContact O-N 3.11Å; T16-Q19 PolarHBondContact OG1-N 3.08Å; T16-Q20 PolarHBondContact O-N 3.18Å | ||
| 17 | K | 85.4 | Confident | 72.5 | Confident | 162 Ų | 162 | 126.9 Ų | 126.9 | 70% | 0.704 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -58.6 | -33.4 | 179 | -71.8 | -175.8 | 178.1 | 179.4 | 0 | 112.4 | ||
| 18 | E | 79.9 | Confident | 72.5 | Confident | 126 Ų | 126 | 123.7 Ų | 123.7 | 59% | 0.589 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -72.6 | -38.4 | 179.2 | -55.6 | 69.4 | -145.8 | 0 | 0 | 110.8 | T16 Q20 Q21 | T16-E18 VanDerWaalsContact CB-OE2 3.22Å; T16-E18 WeakPolarHBondContact CB-OE2 3.39Å; T16-E18 PolarHBondContact O-N 3.12Å; T16-E18 PolarHBondContact OG1-OE2 2.83Å; E18-Q20 VanDerWaalsContact C-N 3.32Å; E18-Q20 PolarHBondContact O-N 3.04Å; E18-Q21 PolarHBondContact O-N 3.34Å |
| 19 | Q | 73.2 | Confident | 72 | Confident | 100 Ų | 100 | 124.7 Ų | 124.7 | 47% | 0.467 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -69.4 | -30.4 | 177.1 | -69 | 174.8 | -39.2 | 0 | 0 | 112.3 | V15 T16 Q21 I22 | V15-Q19 HydrophobicContact CG1-CB 3.48Å; V15-Q19 VanDerWaalsContact CG1-CB 3.48Å; T16-Q19 PolarHBondContact O-N 3.3Å; T16-Q19 VanDerWaalsContact O-N 3.11Å; T16-Q19 PolarHBondContact OG1-N 3.08Å; Q19-Q21 VanDerWaalsContact C-N 3.26Å; Q19-Q21 PolarHBondContact O-N 3.24Å; Q19-I22 PolarHBondContact O-N 3.06Å |
| 20 | Q | 76.1 | Confident | 71.2 | Confident | 158 Ų | 158 | 118 Ų | 118 | 74% | 0.738 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.8 | -22.9 | 175.6 | -167.6 | 177.8 | 10.6 | 0 | 0 | 113.2 | V15 T16 E18 I22 | V15-Q20 HydrophobicContact CG1-CB 4.32Å; T16-Q20 PolarHBondContact O-N 3.18Å; E18-Q20 VanDerWaalsContact C-N 3.32Å; E18-Q20 PolarHBondContact O-N 3.04Å; Q20-I22 VanDerWaalsContact C-N 3.35Å |
| 21 | Q | 78.4 | Confident | 70.3 | Confident | 164 Ų | 164 | 116 Ų | 116 | 77% | 0.766 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -11.8 | 178.5 | -68 | 178.5 | 6.5 | 0 | 0 | 113.3 | E18 Q19 | E18-Q21 PolarHBondContact O-N 3.34Å; Q19-Q21 VanDerWaalsContact C-N 3.26Å; Q19-Q21 PolarHBondContact O-N 3.24Å |
| 22 | I | 70.7 | Confident | 69.5 | Low | 95 Ų | 95 | 112.1 Ų | 112.1 | 49% | 0.487 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -85.9 | 125.7 | 178.1 | -55.8 | 167.6 | 0 | 0 | 0 | 107.4 | Q19 Q20 L24 | Q19-I22 PolarHBondContact O-N 3.06Å; Q20-I22 VanDerWaalsContact C-N 3.35Å; I22-L24 PolarHBondContact O-N 2.88Å |
| 23 | P | 71.9 | Confident | 68.7 | Low | 101 Ų | 101 | 111.1 Ų | 111.1 | 66% | 0.656 | 59% | 0.59 | S | S | * | * | trans | -53.3 | 132.8 | 173.8 | -23.4 | 31.6 | 0 | 0 | 0 | 109.8 | R25 | P23-R25 PolarHBondContact O-N 3.3Š| ||
| 24 | L | 67.8 | Low | 67.7 | Low | 136 Ų | 136 | 112 Ų | 112 | 71% | 0.712 | 60% | 0.602 | S | S | * | * | trans | -60.7 | 109.5 | 177.8 | -57.6 | -174.3 | 0 | 0 | 0 | 108.1 | I22 L31 | I22-L24 PolarHBondContact O-N 2.88Å; L24-L31 HydrophobicContact CD1-CD1 4.22Å; L24-L31 HydrophobicContact CD2-CD1 3.37Å; L24-L31 HydrophobicContact CG-CD1 4.24Å | ||
| 25 | R | 64.3 | Low | 66.5 | Low | 155 Ų | 155 | 107.9 Ų | 107.9 | 59% | 0.585 | 59% | 0.592 | S | S | * | * | trans | -93.8 | 148.3 | 173.9 | -64.8 | -176.1 | -163.3 | -179.3 | 3.3 | 108.5 | P23 D27 V28 | P23-R25 PolarHBondContact O-N 3.3Å; R25-D27 WeakPolarHBondContact CB-OD1 3.35Å; R25-D27 PolarHBondContact O-N 3.05Å; R25-V28 HydrophobicContact CB-CG2 4.33Å; R25-V28 WeakPolarHBondContact O-CG2 3.36Å; R25-V28 PolarHBondContact O-N 3.26Å | ||
| 26 | P | 61.5 | Low | 65.4 | Low | 144 Ų | 144 | 108.2 Ų | 108.2 | 94% | 0.935 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -11.7 | 178.3 | 25 | -33.3 | 0 | 0 | 0 | 113.5 | ||
| 27 | D | 57.6 | Low | 64 | Low | 117 Ų | 117 | 112.4 Ų | 112.4 | 63% | 0.626 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -5.9 | -178.9 | 67.4 | -22.4 | 0 | 0 | 0 | 114.5 | R25 A29 | R25-D27 WeakPolarHBondContact CB-OD1 3.35Å; R25-D27 PolarHBondContact O-N 3.05Å; D27-A29 PolarHBondContact O-N 3.18Å |
| 28 | V | 60.1 | Low | 62.6 | Low | 65 Ų | 65 | 111.4 Ų | 111.4 | 39% | 0.394 | 62% | 0.617 | S | S | . | * | trans | -78 | 96.1 | 176.7 | -131.7 | 0 | 0 | 0 | 0 | 109.8 | R25 A30 L31 S32 | R25-V28 HydrophobicContact CB-CG2 4.33Å; R25-V28 WeakPolarHBondContact O-CG2 3.36Å; R25-V28 PolarHBondContact O-N 3.26Å; V28-A30 PolarHBondContact O-N 3.1Å; V28-L31 PolarHBondContact O-N 3.12Å; V28-S32 PolarHBondContact O-N 3.11Å | ||
| 29 | A | 56.1 | Low | 61.7 | Low | 79 Ų | 79 | 112.5 Ų | 112.5 | 65% | 0.653 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -53 | -22.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D27 L31 S32 | D27-A29 PolarHBondContact O-N 3.18Å; A29-L31 VanDerWaalsContact C-N 3.28Å; A29-L31 PolarHBondContact O-N 3.16Å; A29-S32 PolarHBondContact O-N 3.47Å; A29-S32 PolarHBondContact O-OG 2.86Å |
| 30 | A | 56.4 | Low | 61.6 | Low | 61 Ų | 61 | 110.3 Ų | 110.3 | 50% | 0.504 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -66 | -31.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I13 V28 | I13-A30 WeakPolarHBondContact CD1-O 3.1Å; I13-A30 HydrophobicContact CG2-CB 4.28Å; V28-A30 PolarHBondContact O-N 3.1Å |
| 31 | L | 57.5 | Low | 61.6 | Low | 81 Ų | 81 | 104.4 Ų | 104.4 | 42% | 0.424 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -101.2 | 8.3 | 178.1 | -71.6 | 165.6 | 0 | 0 | 0 | 113 | I13 L24 V28 A29 I33 | I13-L31 HydrophobicContact CD1-CD2 3.9Å; L24-L31 HydrophobicContact CD1-CD1 4.22Å; L24-L31 HydrophobicContact CD2-CD1 3.37Å; L24-L31 HydrophobicContact CG-CD1 4.24Å; V28-L31 PolarHBondContact O-N 3.12Å; A29-L31 VanDerWaalsContact C-N 3.28Å; A29-L31 PolarHBondContact O-N 3.16Å; L31-I33 PolarHBondContact O-N 3.24Å |
| 32 | S | 54.7 | Low | 61.9 | Low | 64 Ų | 64 | 100.2 Ų | 100.2 | 45% | 0.448 | 59% | 0.586 | S | S | . | * | trans | -71.7 | 71.5 | 165.5 | 72.6 | 0 | 0 | 0 | 0 | 108.7 | V28 A29 S34 | V28-S32 PolarHBondContact O-N 3.11Å; A29-S32 PolarHBondContact O-N 3.47Å; A29-S32 PolarHBondContact O-OG 2.86Å; S32-S34 VanDerWaalsContact C-N 3.3Å; S32-S34 PolarHBondContact O-N 2.7Å; S32-S34 VanDerWaalsContact O-N 3.14Å | ||
| 33 | I | 58 | Low | 62.7 | Low | 121 Ų | 121 | 98.9 Ų | 98.9 | 62% | 0.621 | 58% | 0.583 | S | S | * | * | trans | -48.7 | 116.2 | 131.9 | -81.2 | 166 | 0 | 0 | 0 | 102.8 | L31 V35 | L31-I33 PolarHBondContact O-N 3.24Å; I33-V35 HydrophobicContact CG2-CG2 3.9Å; I33-V35 PolarHBondContact O-N 3.24Å | ||
| 34 | S | 51.9 | Low | 63.4 | Low | 89 Ų | 89 | 96.4 Ų | 96.4 | 62% | 0.622 | 56% | 0.563 | S | S | * | * | trans | -60.3 | 83 | 164.4 | 51 | 0 | 0 | 0 | 0 | 105.1 | S32 T36 | S32-S34 VanDerWaalsContact C-N 3.3Å; S32-S34 PolarHBondContact O-N 2.7Å; S32-S34 VanDerWaalsContact O-N 3.14Å; S34-T36 PolarHBondContact O-N 2.88Å | ||
| 35 | V | 55.1 | Low | 64.3 | Low | 98 Ų | 98 | 96.2 Ų | 96.2 | 59% | 0.594 | 57% | 0.57 | S | S | * | * | trans | -63.2 | 88.8 | 149.7 | -174.9 | 0 | 0 | 0 | 0 | 100 | I33 D37 | I33-V35 HydrophobicContact CG2-CG2 3.9Å; I33-V35 PolarHBondContact O-N 3.24Å; V35-D37 PolarHBondContact O-N 3.11Å | ||
| 36 | T | 52 | Low | 65.4 | Low | 89 Ų | 89 | 93.8 Ų | 93.8 | 55% | 0.546 | 57% | 0.569 | S | S | . | * | trans | -54.5 | 107.2 | 162.6 | 45.1 | 0 | 0 | 0 | 0 | 102.6 | S34 D38 E39 | S34-T36 PolarHBondContact O-N 2.88Å; T36-D38 PolarHBondContact O-N 3.48Å; T36-E39 PolarHBondContact O-N 3.27Å | ||
| 37 | D | 54.5 | Low | 66.5 | Low | 156 Ų | 156 | 88.8 Ų | 88.8 | 83% | 0.834 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 2.8 | 176.9 | -89 | -92.5 | 0 | 0 | 0 | 112.8 | V35 E39 | V35-D37 PolarHBondContact O-N 3.11Å; D37-E39 VanDerWaalsContact C-N 3.31Å; D37-E39 PolarHBondContact O-N 2.92Å |
| 38 | D | 57.1 | Low | 68 | Low | 141 Ų | 141 | 89 Ų | 89 | 75% | 0.754 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -6.8 | 171.9 | -76.5 | -74.7 | 0 | 0 | 0 | 115.4 | T36 S40 | T36-D38 PolarHBondContact O-N 3.48Å; D38-S40 PolarHBondContact O-N 3.43Å |
| 39 | E | 61.2 | Low | 69.3 | Low | 148 Ų | 148 | 86.9 Ų | 86.9 | 69% | 0.692 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -74.5 | 87.7 | 164.6 | -85.7 | -156.8 | 96.5 | 0 | 0 | 109.6 | T36 D37 G41 | T36-E39 PolarHBondContact O-N 3.27Å; D37-E39 VanDerWaalsContact C-N 3.31Å; D37-E39 PolarHBondContact O-N 2.92Å; E39-G41 PolarHBondContact O-N 3.4Å |
| 40 | S | 69.8 | Low | 70.9 | Confident | 54 Ų | 54 | 84.3 Ų | 84.3 | 38% | 0.378 | 50% | 0.502 | S | S | . | . | trans | -47.7 | 123.3 | 174 | -64.1 | 0 | 0 | 0 | 0 | 109.8 | D38 N50 | D38-S40 PolarHBondContact O-N 3.43Å; S40-N50 PolarHBondContact O-ND2 3.11Å | ||
| 41 | G | 77.9 | Confident | 72.4 | Confident | 34 Ų | 34 | 84.5 Ų | 84.5 | 35% | 0.351 | 49% | 0.49 | S | S | . | . | trans | -59.7 | -170.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E39 V43 N50 | E39-G41 PolarHBondContact O-N 3.4Å; G41-V43 PolarHBondContact O-N 3.38Å; G41-N50 WeakPolarHBondContact O-CB 3.39Å; G41-N50 PolarHBondContact O-ND2 3.31Å | ||
| 42 | P | 84.3 | Confident | 73.7 | Confident | 77 Ų | 77 | 87.7 Ų | 87.7 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -62 | -15.5 | -175.7 | 25.7 | -35 | 0 | 0 | 0 | 113.7 | I49 N50 L56 | P42-I49 WeakPolarHBondContact O-CA 3.47Å; P42-N50 PolarHBondContact O-N 3.5Å; P42-L56 HydrophobicContact CB-CD1 4.02Å |
| 43 | V | 87 | Confident | 75.1 | Confident | 67 Ų | 67 | 85.3 Ų | 85.3 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | B | Isolated β-bridge | trans | -125.5 | 126.8 | 175.5 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | G41 E48 | G41-V43 PolarHBondContact O-N 3.38Å; V43-E48 CarbonylContact C-O 3.59Å; V43-E48 WeakPolarHBondContact CA-O 3.46Å |
| 44 | L | 87.2 | Confident | 76.3 | Confident | 48 Ų | 48 | 84.3 Ų | 84.3 | 25% | 0.251 | 49% | 0.492 | S | S | . | . | trans | -72 | 159.4 | 176.1 | -66.2 | 175.1 | 0 | 0 | 0 | 110.7 | N46 G47 E48 N50 | L44-N46 WeakPolarHBondContact CB-OD1 3.38Å; L44-N46 PolarHBondContact O-N 2.94Å; L44-G47 PolarHBondContact O-N 3.37Å; L44-E48 HydrophobicContact CD1-CB 4.49Å; L44-E48 PolarHBondContact N-O 3.01Å; L44-N50 HydrophobicContact CD2-CB 3.97Å; L44-N50 HydrophobicContact CG-CB 4.03Å | ||
| 45 | P | 85.8 | Confident | 77.8 | Confident | 133 Ų | 133 | 85.4 Ų | 85.4 | 86% | 0.864 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -22.2 | 176.8 | -25.9 | 34.8 | 0 | 0 | 0 | 114.7 | G47 | P45-G47 VanDerWaalsContact C-N 3.25Å; P45-G47 PolarHBondContact O-N 2.91Å |
| 46 | N | 87.7 | Confident | 78.9 | Confident | 104 Ų | 104 | 82.5 Ų | 82.5 | 56% | 0.556 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -4.2 | 175.7 | 70.8 | -6.5 | 0 | 0 | 0 | 113.6 | L44 E48 | L44-N46 WeakPolarHBondContact CB-OD1 3.38Å; L44-N46 PolarHBondContact O-N 2.94Å; N46-E48 PolarHBondContact ND2-OE2 3.47Å; N46-E48 WeakPolarHBondContact OD1-CB 3.36Å; N46-E48 PolarHBondContact OD1-N 3.32Å |
| 47 | G | 85.5 | Confident | 80.3 | Confident | 38 Ų | 38 | 80.1 Ų | 80.1 | 39% | 0.392 | 47% | 0.472 | S | S | . | . | S | Bend | trans | 87.2 | 3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L44 P45 H76 | L44-G47 PolarHBondContact O-N 3.37Å; P45-G47 VanDerWaalsContact C-N 3.25Å; P45-G47 PolarHBondContact O-N 2.91Å; G47-H76 PolarHBondContact O-CD2 2.89Å; G47-H76 PolarHBondContact O-NE2 2.92Å |
| 48 | E | 87.7 | Confident | 81.3 | Confident | 121 Ų | 121 | 79.5 Ų | 79.5 | 57% | 0.565 | 47% | 0.469 | S | S | * | . | trans | -86.4 | 156.8 | 174.6 | -62.2 | -177.1 | 142.6 | 0 | 0 | 111.9 | V43 L44 N46 | V43-E48 CarbonylContact C-O 3.59Å; V43-E48 WeakPolarHBondContact CA-O 3.46Å; L44-E48 HydrophobicContact CD1-CB 4.49Å; L44-E48 PolarHBondContact N-O 3.01Å; N46-E48 PolarHBondContact ND2-OE2 3.47Å; N46-E48 WeakPolarHBondContact OD1-CB 3.36Å; N46-E48 PolarHBondContact OD1-N 3.32Å | ||
| 49 | I | 88.5 | Confident | 82.2 | Confident | 22 Ų | 22 | 76.5 Ų | 76.5 | 11% | 0.113 | 45% | 0.452 | C | S | . | . | B | Isolated β-bridge | trans | -74.9 | 129.3 | 177.4 | -58.2 | 172.1 | 0 | 0 | 0 | 109.3 | P42 W51 L56 F72 H76 | P42-I49 WeakPolarHBondContact O-CA 3.47Å; I49-W51 HydrophobicContact CB-CD2 4.4Å; I49-W51 HydrophobicContact CB-CH2 4.26Å; I49-W51 HydrophobicContact CB-CZ2 3.94Å; I49-W51 HydrophobicContact CD1-CH2 3.68Å; I49-W51 HydrophobicContact CD1-CZ2 3.8Å; I49-W51 HydrophobicContact CG1-CZ2 4.43Å; I49-W51 HydrophobicContact CG2-CD2 4.06Å; I49-W51 HydrophobicContact CG2-CE3 3.97Å; I49-W51 HydrophobicContact CG2-CH2 4.03Å; I49-W51 HydrophobicContact CG2-CZ2 4.13Å; I49-W51 HydrophobicContact CG2-CZ3 3.96Å; I49-W51 PolarHBondContact O-N 3.42Å; I49-L56 HydrophobicContact CG2-CD1 4.47Å; I49-L56 HydrophobicContact CG2-CD2 3.58Å; I49-F72 HydrophobicContact CD1-CB 4.42Å; I49-H76 HydrophobicContact CD1-CB 3.73Å; I49-H76 HydrophobicContact CG1-CB 4.09Å |
| 50 | N | 88.7 | Confident | 83.3 | Confident | 24 Ų | 24 | 69.9 Ų | 69.9 | 13% | 0.128 | 42% | 0.421 | C | S | . | . | trans | -76.1 | 90.2 | 172.9 | -178.3 | 6.7 | 0 | 0 | 0 | 110.5 | S40 G41 P42 L44 N52 C53 L56 | S40-N50 PolarHBondContact O-ND2 3.11Å; G41-N50 WeakPolarHBondContact O-CB 3.39Å; G41-N50 PolarHBondContact O-ND2 3.31Å; P42-N50 PolarHBondContact O-N 3.5Å; L44-N50 HydrophobicContact CD2-CB 3.97Å; L44-N50 HydrophobicContact CG-CB 4.03Å; N50-N52 PolarHBondContact O-N 2.88Å; N50-N52 VanDerWaalsContact O-N 3.09Å; N50-N52 WeakPolarHBondContact OD1-CB 3.22Å; N50-N52 PolarHBondContact OD1-N 3.25Å; N50-N52 VanDerWaalsContact OD1-N 3.12Å; N50-C53 HydrophobicContact CB-CB 4.2Å; N50-C53 WeakPolarHBondContact O-CB 3.33Å; N50-C53 PolarHBondContact O-N 2.75Å; N50-C53 VanDerWaalsContact O-N 3.09Å; N50-L56 WeakPolarHBondContact O-CD1 3.14Å | ||
| 51 | W | 87.9 | Confident | 83.9 | Confident | 66 Ų | 66 | 71.5 Ų | 71.5 | 25% | 0.25 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -6.9 | 179.8 | -59.1 | 111.6 | 0 | 0 | 0 | 115.3 | I49 L56 V60 F68 R69 F72 | I49-W51 HydrophobicContact CB-CD2 4.4Å; I49-W51 HydrophobicContact CB-CH2 4.26Å; I49-W51 HydrophobicContact CB-CZ2 3.94Å; I49-W51 HydrophobicContact CD1-CH2 3.68Å; I49-W51 HydrophobicContact CD1-CZ2 3.8Å; I49-W51 HydrophobicContact CG1-CZ2 4.43Å; I49-W51 HydrophobicContact CG2-CD2 4.06Å; I49-W51 HydrophobicContact CG2-CE3 3.97Å; I49-W51 HydrophobicContact CG2-CH2 4.03Å; I49-W51 HydrophobicContact CG2-CZ2 4.13Å; I49-W51 HydrophobicContact CG2-CZ3 3.96Å; I49-W51 PolarHBondContact O-N 3.42Å; W51-L56 HydrophobicContact CE3-CD2 3.88Å; W51-L56 HydrophobicContact CZ3-CD2 3.84Å; W51-V60 HydrophobicContact CB-CG1 4.34Å; W51-V60 HydrophobicContact CE3-CG1 3.76Å; W51-V60 HydrophobicContact CE3-CG2 3.9Å; W51-V60 HydrophobicContact CZ3-CG2 4.04Å; W51-F68 HydrophobicContact CZ3-CD1 4.2Å; W51-F68 HydrophobicContact CZ3-CE1 4.19Å; W51-R69 HydrophobicContact CD2-CG 3.87Å; W51-R69 HydrophobicContact CE3-CG 3.73Å; W51-R69 VanDerWaalsContact CG-NH1 3.26Å; W51-R69 VanDerWaalsContact CH2-CA 3.49Å; W51-R69 HydrophobicContact CH2-CB 3.93Å; W51-R69 HydrophobicContact CH2-CG 3.84Å; W51-R69 HydrophobicContact CZ2-CB 3.91Å; W51-R69 HydrophobicContact CZ2-CG 3.94Å; W51-R69 HydrophobicContact CZ3-CB 4.3Å; W51-R69 HydrophobicContact CZ3-CG 3.72Å; W51-F72 HydrophobicContact CH2-CB 4.09Å |
| 52 | N | 85.6 | Confident | 84.3 | Confident | 147 Ų | 147 | 71.1 Ų | 71.1 | 79% | 0.786 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -5.3 | 176.1 | -69 | 86.7 | 0 | 0 | 0 | 112.4 | N50 P54 | N50-N52 PolarHBondContact O-N 2.88Å; N50-N52 VanDerWaalsContact O-N 3.09Å; N50-N52 WeakPolarHBondContact OD1-CB 3.22Å; N50-N52 PolarHBondContact OD1-N 3.25Å; N50-N52 VanDerWaalsContact OD1-N 3.12Å; N52-P54 WeakPolarHBondContact O-CD 3.41Å |
| 53 | C | 84.2 | Confident | 84.6 | Confident | 15 Ų | 15 | 70.7 Ų | 70.7 | 10% | 0.101 | 43% | 0.431 | C | S | . | . | trans | -70.4 | 120.5 | -179.7 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | N50 C55 L56 | N50-C53 HydrophobicContact CB-CB 4.2Å; N50-C53 WeakPolarHBondContact O-CB 3.33Å; N50-C53 PolarHBondContact O-N 2.75Å; N50-C53 VanDerWaalsContact O-N 3.09Å; C53-C55 PolarHBondContact O-N 3.23Å; C53-L56 HydrophobicContact CB-CD1 3.75Å; C53-L56 PolarHBondContact O-N 3.29Å | ||
| 54 | P | 83.3 | Confident | 84.9 | Confident | 100 Ų | 100 | 67.6 Ų | 67.6 | 65% | 0.649 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -59.6 | -18.6 | -178.9 | 23.4 | -33.1 | 0 | 0 | 0 | 112.9 | N52 L56 G57 | N52-P54 WeakPolarHBondContact O-CD 3.41Å; P54-L56 VanDerWaalsContact C-N 3.34Å; P54-L56 PolarHBondContact O-N 3.17Å; P54-G57 PolarHBondContact O-N 3.26Å |
| 55 | C | 82.3 | Confident | 85.1 | Confident | 111 Ų | 111 | 65.5 Ų | 65.5 | 75% | 0.75 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -69.2 | -23.8 | 176.1 | -55.2 | 0 | 0 | 0 | 0 | 114.5 | C53 G57 | C53-C55 PolarHBondContact O-N 3.23Å; C55-G57 PolarHBondContact O-N 2.92Å |
| 56 | L | 79.6 | Confident | 85.4 | Confident | 38 Ų | 38 | 66.6 Ų | 66.6 | 20% | 0.199 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -72.6 | -8.2 | 175.6 | -84.8 | 94.4 | 0 | 0 | 0 | 112.8 | P42 I49 N50 W51 C53 P54 V60 | P42-L56 HydrophobicContact CB-CD1 4.02Å; I49-L56 HydrophobicContact CG2-CD1 4.47Å; I49-L56 HydrophobicContact CG2-CD2 3.58Å; N50-L56 WeakPolarHBondContact O-CD1 3.14Å; W51-L56 HydrophobicContact CE3-CD2 3.88Å; W51-L56 HydrophobicContact CZ3-CD2 3.84Å; C53-L56 HydrophobicContact CB-CD1 3.75Å; C53-L56 PolarHBondContact O-N 3.29Å; P54-L56 VanDerWaalsContact C-N 3.34Å; P54-L56 PolarHBondContact O-N 3.17Å; L56-V60 HydrophobicContact CB-CG2 3.84Å; L56-V60 HydrophobicContact CD2-CG2 4.03Å |
| 57 | G | 79.6 | Confident | 85.7 | Confident | 39 Ų | 39 | 63.9 Ų | 63.9 | 40% | 0.402 | 38% | 0.375 | S | S | . | . | trans | 71 | -177.9 | 172 | 0 | 0 | 0 | 0 | 0 | 114.5 | P54 C55 M59 | P54-G57 PolarHBondContact O-N 3.26Å; C55-G57 PolarHBondContact O-N 2.92Å; G57-M59 PolarHBondContact O-N 3.35Å | ||
| 58 | D | 75.5 | Confident | 86.1 | Confident | 143 Ų | 143 | 62.6 Ų | 62.6 | 77% | 0.765 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -71.5 | -12.6 | -171.5 | -62.2 | -37.7 | 0 | 0 | 0 | 113.8 | V60 A61 G62 | D58-V60 PolarHBondContact O-N 3.49Å; D58-A61 CarbonylContact O-C 3.12Å; D58-A61 PolarHBondContact O-N 3.06Å; D58-A61 VanDerWaalsContact O-N 3.13Å; D58-G62 PolarHBondContact O-N 3.47Å |
| 59 | M | 76.8 | Confident | 86.3 | Confident | 78 Ų | 78 | 61.2 Ų | 61.2 | 38% | 0.384 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -63.7 | -32.1 | 180 | -65.4 | -172.5 | 72.6 | 0 | 0 | 112.3 | G57 A61 G65 F68 F105 | G57-M59 PolarHBondContact O-N 3.35Å; M59-A61 VanDerWaalsContact C-N 3.31Å; M59-A61 PolarHBondContact O-N 3.03Å; M59-G65 WeakPolarHBondContact O-CA 3.35Å; M59-F68 HydrophobicContact CB-CD2 3.8Å; M59-F68 HydrophobicContact CB-CE2 3.63Å; M59-F68 HydrophobicContact CB-CG 4.36Å; M59-F68 HydrophobicContact CB-CZ 4.11Å; M59-F68 HydrophobicContact CE-CD2 3.88Å; M59-F68 HydrophobicContact CE-CE2 3.82Å; M59-F68 HydrophobicContact CG-CE2 4.37Å; M59-F68 HydrophobicContact SD-CD2 4.45Å; M59-F68 HydrophobicContact SD-CE2 3.87Å; M59-F105 HydrophobicContact CE-CE1 4.48Å; M59-F105 HydrophobicContact CG-CE1 4.41Å |
| 60 | V | 83.8 | Confident | 86.6 | Confident | 8 Ų | 8 | 63.2 Ų | 63.2 | 5% | 0.048 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -70.6 | -28 | 177.6 | 174.8 | 0 | 0 | 0 | 0 | 112.4 | W51 L56 D58 F68 R69 | W51-V60 HydrophobicContact CB-CG1 4.34Å; W51-V60 HydrophobicContact CE3-CG1 3.76Å; W51-V60 HydrophobicContact CE3-CG2 3.9Å; W51-V60 HydrophobicContact CZ3-CG2 4.04Å; L56-V60 HydrophobicContact CB-CG2 3.84Å; L56-V60 HydrophobicContact CD2-CG2 4.03Å; D58-V60 PolarHBondContact O-N 3.49Å; V60-F68 HydrophobicContact CB-CD1 4.47Å; V60-F68 HydrophobicContact CG2-CD1 3.57Å; V60-F68 HydrophobicContact CG2-CE1 3.3Å; V60-F68 HydrophobicContact CG2-CZ 4.24Å; V60-R69 HydrophobicContact CG1-CG 4.5Å; V60-R69 VanDerWaalsContact CG1-CZ 3.45Å; V60-R69 PolarHBondContact O-NH2 3.46Å |
| 61 | A | 82.9 | Confident | 86.8 | Confident | 88 Ų | 88 | 62.1 Ų | 62.1 | 73% | 0.727 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -8.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D58 M59 | D58-A61 CarbonylContact O-C 3.12Å; D58-A61 PolarHBondContact O-N 3.06Å; D58-A61 VanDerWaalsContact O-N 3.13Å; M59-A61 VanDerWaalsContact C-N 3.31Å; M59-A61 PolarHBondContact O-N 3.03Å |
| 62 | G | 86.4 | Confident | 86.9 | Confident | 27 Ų | 27 | 62.6 Ų | 62.6 | 28% | 0.278 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -74.3 | 178.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D58 C64 G65 | D58-G62 PolarHBondContact O-N 3.47Å; G62-C64 PolarHBondContact O-N 3.02Å; G62-C64 VanDerWaalsContact O-N 3.13Å; G62-G65 PolarHBondContact O-N 3.21Å |
| 63 | P | 90.6 | Very high | 87.3 | Confident | 67 Ų | 67 | 55.8 Ų | 55.8 | 44% | 0.435 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -24.5 | -179.5 | 26 | -35.1 | 0 | 0 | 0 | 113.3 | Y101 L104 | P63-Y101 HydrophobicContact CB-CD2 4.25Å; P63-Y101 HydrophobicContact CB-CE1 4.34Å; P63-Y101 HydrophobicContact CB-CE2 3.86Å; P63-Y101 HydrophobicContact CG-CD1 4.33Å; P63-Y101 HydrophobicContact CG-CD2 3.9Å; P63-Y101 HydrophobicContact CG-CE1 4.45Å; P63-Y101 HydrophobicContact CG-CE2 4.04Å; P63-Y101 HydrophobicContact CG-CG 4.06Å; P63-L104 HydrophobicContact CG-CD1 3.75Å |
| 64 | C | 92.8 | Very high | 87.7 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.014 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 12 | 175.3 | -58.6 | 0 | 0 | 0 | 0 | 113.6 | G62 Y66 E67 F68 L94 C97 V98 F105 | G62-C64 PolarHBondContact O-N 3.02Å; G62-C64 VanDerWaalsContact O-N 3.13Å; C64-Y66 PolarHBondContact O-N 3.44Å; C64-E67 PolarHBondContact O-N 3.23Å; C64-F68 WeakPolarHBondContact O-CB 3.32Å; C64-F68 PolarHBondContact O-N 2.04Å; C64-L94 HydrophobicContact CB-CD1 4.13Å; C64-C97 WeakPolarHBondContact CA-SG 2.83Å; C64-C97 HydrophobicContact CB-CB 3.82Å; C64-C97 WeakPolarHBondContact CB-SG 3.17Å; C64-C97 WeakPolarHBondContact SG-CB 3.42Å; C64-C97 PolarHBondContact SG-O 3.2Å; C64-C97 CovalentContact SG-SG 2.04Å; C64-C97 PolarHBondContact SG-SG 3.12Å; C64-V98 HydrophobicContact CB-CG2 4.39Å; C64-V98 PolarHBondContact SG-N 3.41Å; C64-F105 HydrophobicContact CB-CZ 4.18Å |
| 65 | G | 91.3 | Very high | 88.2 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.5 | -29.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | M59 G62 R69 | M59-G65 WeakPolarHBondContact O-CA 3.35Å; G62-G65 PolarHBondContact O-N 3.21Å; G65-R69 WeakPolarHBondContact O-CB 3.45Å; G65-R69 WeakPolarHBondContact O-CD 3.36Å; G65-R69 WeakPolarHBondContact O-CG 3.37Å; G65-R69 PolarHBondContact O-N 3.5Å |
| 66 | Y | 93.7 | Very high | 88.7 | Confident | 156 Ų | 156 | 52.2 Ų | 52.2 | 61% | 0.612 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65 | -54.4 | 174.5 | 178.2 | -99.7 | 0 | 0 | 0 | 111.8 | C64 F68 R69 Q70 | C64-Y66 PolarHBondContact O-N 3.44Å; Y66-F68 VanDerWaalsContact C-N 3.26Å; Y66-F68 PolarHBondContact O-N 3.19Å; Y66-R69 PolarHBondContact O-N 2.96Å; Y66-R69 VanDerWaalsContact O-N 3.15Å; Y66-Q70 HydrophobicContact CD1-CG 4.48Å; Y66-Q70 HydrophobicContact CE1-CG 4.1Å; Y66-Q70 WeakPolarHBondContact O-CG 3.47Å; Y66-Q70 PolarHBondContact O-N 3.2Å; Y66-Q70 VanDerWaalsContact O-N 3.07Å |
| 67 | E | 93.9 | Very high | 89.2 | Confident | 47 Ų | 47 | 58.6 Ų | 58.6 | 22% | 0.22 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.6 | -38.1 | 178.2 | -58.2 | -55.4 | 154.3 | 0 | 0 | 111.3 | C64 R69 Q70 A71 N93 L94 C97 | C64-E67 PolarHBondContact O-N 3.23Å; E67-R69 PolarHBondContact O-N 3.13Å; E67-Q70 PolarHBondContact O-N 3.13Å; E67-A71 WeakPolarHBondContact O-CB 3.31Å; E67-A71 PolarHBondContact O-N 3.4Å; E67-N93 HydrophobicContact CG-CB 4.43Å; E67-N93 VanDerWaalsContact OE2-CB 3.31Å; E67-N93 WeakPolarHBondContact OE2-CB 3.45Å; E67-L94 HydrophobicContact CB-CB 4.01Å; E67-L94 HydrophobicContact CB-CD1 4.14Å; E67-C97 HydrophobicContact CG-CB 4.2Å |
| 68 | F | 92.9 | Very high | 89.9 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 5% | 0.048 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 175.6 | -174.3 | -85.7 | 0 | 0 | 0 | 111.3 | W51 M59 V60 C64 Y66 Q70 A71 F72 L94 | W51-F68 HydrophobicContact CZ3-CD1 4.2Å; W51-F68 HydrophobicContact CZ3-CE1 4.19Å; M59-F68 HydrophobicContact CB-CD2 3.8Å; M59-F68 HydrophobicContact CB-CE2 3.63Å; M59-F68 HydrophobicContact CB-CG 4.36Å; M59-F68 HydrophobicContact CB-CZ 4.11Å; M59-F68 HydrophobicContact CE-CD2 3.88Å; M59-F68 HydrophobicContact CE-CE2 3.82Å; M59-F68 HydrophobicContact CG-CE2 4.37Å; M59-F68 HydrophobicContact SD-CD2 4.45Å; M59-F68 HydrophobicContact SD-CE2 3.87Å; V60-F68 HydrophobicContact CB-CD1 4.47Å; V60-F68 HydrophobicContact CG2-CD1 3.57Å; V60-F68 HydrophobicContact CG2-CE1 3.3Å; V60-F68 HydrophobicContact CG2-CZ 4.24Å; C64-F68 WeakPolarHBondContact O-CB 3.32Å; C64-F68 PolarHBondContact O-N 2.04Å; Y66-F68 VanDerWaalsContact C-N 3.26Å; Y66-F68 PolarHBondContact O-N 3.19Å; F68-Q70 VanDerWaalsContact C-N 3.32Å; F68-Q70 PolarHBondContact O-N 3.31Å; F68-A71 PolarHBondContact O-N 3.2Å; F68-F72 AromaticContact CD1-CD2 3.82Å; F68-F72 HydrophobicContact CD1-CD2 3.82Å; F68-F72 HydrophobicContact CD1-CE2 4.41Å; F68-F72 HydrophobicContact CD1-CG 4.39Å; F68-F72 AromaticContact CD2-CD2 3.64Å; F68-F72 HydrophobicContact CD2-CD2 3.64Å; F68-F72 AromaticContact CD2-CE2 3.5Å; F68-F72 HydrophobicContact CD2-CE2 3.5Å; F68-F72 VanDerWaalsContact CD2-CE2 3.5Å; F68-F72 HydrophobicContact CE1-CB 4.37Å; F68-F72 AromaticContact CE1-CD2 3.58Å; F68-F72 HydrophobicContact CE1-CD2 3.58Å; F68-F72 AromaticContact CE1-CE2 3.98Å; F68-F72 HydrophobicContact CE1-CE2 3.98Å; F68-F72 AromaticContact CE1-CG 3.91Å; F68-F72 HydrophobicContact CE1-CG 3.91Å; F68-F72 AromaticContact CE2-CD2 3.43Å; F68-F72 HydrophobicContact CE2-CD2 3.43Å; F68-F72 VanDerWaalsContact CE2-CD2 3.43Å; F68-F72 AromaticContact CE2-CE2 3Å; F68-F72 HydrophobicContact CE2-CE2 3Å; F68-F72 HydrophobicContact CE2-CG 4.4Å; F68-F72 AromaticContact CE2-CZ 3.67Å; F68-F72 HydrophobicContact CE2-CZ 3.67Å; F68-F72 AromaticContact CG-CD2 3.86Å; F68-F72 HydrophobicContact CG-CD2 3.86Å; F68-F72 HydrophobicContact CG-CE2 4.2Å; F68-F72 HydrophobicContact CZ-CD1 4.31Å; F68-F72 AromaticContact CZ-CD2 3.39Å; F68-F72 HydrophobicContact CZ-CD2 3.39Å; F68-F72 HydrophobicContact CZ-CE1 4.2Å; F68-F72 AromaticContact CZ-CE2 3.28Å; F68-F72 HydrophobicContact CZ-CE2 3.28Å; F68-F72 AromaticContact CZ-CG 3.93Å; F68-F72 HydrophobicContact CZ-CG 3.93Å; F68-F72 AromaticContact CZ-CZ 3.7Å; F68-F72 HydrophobicContact CZ-CZ 3.7Å; F68-F72 WeakPolarHBondContact O-CB 3.48Å; F68-F72 WeakPolarHBondContact O-CD2 3.43Å; F68-F72 PolarHBondContact O-N 2.91Å; F68-L94 HydrophobicContact CB-CD1 3.97Å; F68-L94 HydrophobicContact CD2-CD1 4.42Å; F68-L94 HydrophobicContact CD2-CD2 4.07Å |
| 69 | R | 92.2 | Very high | 90.8 | Very high | 92 Ų | 92 | 59.9 Ų | 59.9 | 35% | 0.347 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.6 | -36.8 | 177.9 | -71.8 | 169.1 | -164.9 | -111.8 | 5.9 | 112.5 | W51 V60 G65 Y66 E67 G73 | W51-R69 HydrophobicContact CD2-CG 3.87Å; W51-R69 HydrophobicContact CE3-CG 3.73Å; W51-R69 VanDerWaalsContact CG-NH1 3.26Å; W51-R69 VanDerWaalsContact CH2-CA 3.49Å; W51-R69 HydrophobicContact CH2-CB 3.93Å; W51-R69 HydrophobicContact CH2-CG 3.84Å; W51-R69 HydrophobicContact CZ2-CB 3.91Å; W51-R69 HydrophobicContact CZ2-CG 3.94Å; W51-R69 HydrophobicContact CZ3-CB 4.3Å; W51-R69 HydrophobicContact CZ3-CG 3.72Å; V60-R69 HydrophobicContact CG1-CG 4.5Å; V60-R69 VanDerWaalsContact CG1-CZ 3.45Å; V60-R69 PolarHBondContact O-NH2 3.46Å; G65-R69 WeakPolarHBondContact O-CB 3.45Å; G65-R69 WeakPolarHBondContact O-CD 3.36Å; G65-R69 WeakPolarHBondContact O-CG 3.37Å; G65-R69 PolarHBondContact O-N 3.5Å; Y66-R69 PolarHBondContact O-N 2.96Å; Y66-R69 VanDerWaalsContact O-N 3.15Å; E67-R69 PolarHBondContact O-N 3.13Å; R69-G73 WeakPolarHBondContact O-CA 2.99Å; R69-G73 PolarHBondContact O-N 2.51Å |
| 70 | Q | 93.6 | Very high | 91.6 | Very high | 64 Ų | 64 | 57.7 Ų | 57.7 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.3 | -50.1 | 175.9 | -62 | -52.2 | -39.6 | 0 | 0 | 111.4 | Y66 E67 F68 G73 C74 | Y66-Q70 HydrophobicContact CD1-CG 4.48Å; Y66-Q70 HydrophobicContact CE1-CG 4.1Å; Y66-Q70 WeakPolarHBondContact O-CG 3.47Å; Y66-Q70 PolarHBondContact O-N 3.2Å; Y66-Q70 VanDerWaalsContact O-N 3.07Å; E67-Q70 PolarHBondContact O-N 3.13Å; F68-Q70 VanDerWaalsContact C-N 3.32Å; F68-Q70 PolarHBondContact O-N 3.31Å; Q70-G73 PolarHBondContact O-N 2.93Å; Q70-C74 VanDerWaalsContact O-CB 3.29Å; Q70-C74 WeakPolarHBondContact O-CB 3.35Å; Q70-C74 PolarHBondContact O-N 3.29Å |
| 71 | A | 93.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.8 | -52.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | E67 F68 G73 C74 F75 H90 F91 L94 | E67-A71 WeakPolarHBondContact O-CB 3.31Å; E67-A71 PolarHBondContact O-N 3.4Å; F68-A71 PolarHBondContact O-N 3.2Å; A71-G73 PolarHBondContact O-N 3.08Å; A71-C74 PolarHBondContact O-N 3.29Å; A71-F75 WeakPolarHBondContact O-CB 3.06Å; A71-F75 PolarHBondContact O-N 2.02Å; A71-H90 HydrophobicContact CB-CB 3.9Å; A71-F91 HydrophobicContact CB-CD1 4.07Å; A71-F91 HydrophobicContact CB-CD2 4.43Å; A71-F91 HydrophobicContact CB-CE1 4.12Å; A71-F91 HydrophobicContact CB-CE2 4.47Å; A71-F91 HydrophobicContact CB-CG 4.24Å; A71-F91 HydrophobicContact CB-CZ 4.32Å; A71-L94 HydrophobicContact CB-CD2 4.26Å |
| 72 | F | 91.6 | Very high | 92.4 | Very high | 77 Ų | 77 | 65.1 Ų | 65.1 | 34% | 0.338 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.3 | -36 | 179.1 | -83.2 | -93.2 | 0 | 0 | 0 | 112.4 | I49 W51 F68 C74 F75 H76 L94 | I49-F72 HydrophobicContact CD1-CB 4.42Å; W51-F72 HydrophobicContact CH2-CB 4.09Å; F68-F72 AromaticContact CD1-CD2 3.82Å; F68-F72 HydrophobicContact CD1-CD2 3.82Å; F68-F72 HydrophobicContact CD1-CE2 4.41Å; F68-F72 HydrophobicContact CD1-CG 4.39Å; F68-F72 AromaticContact CD2-CD2 3.64Å; F68-F72 HydrophobicContact CD2-CD2 3.64Å; F68-F72 AromaticContact CD2-CE2 3.5Å; F68-F72 HydrophobicContact CD2-CE2 3.5Å; F68-F72 VanDerWaalsContact CD2-CE2 3.5Å; F68-F72 HydrophobicContact CE1-CB 4.37Å; F68-F72 AromaticContact CE1-CD2 3.58Å; F68-F72 HydrophobicContact CE1-CD2 3.58Å; F68-F72 AromaticContact CE1-CE2 3.98Å; F68-F72 HydrophobicContact CE1-CE2 3.98Å; F68-F72 AromaticContact CE1-CG 3.91Å; F68-F72 HydrophobicContact CE1-CG 3.91Å; F68-F72 AromaticContact CE2-CD2 3.43Å; F68-F72 HydrophobicContact CE2-CD2 3.43Å; F68-F72 VanDerWaalsContact CE2-CD2 3.43Å; F68-F72 AromaticContact CE2-CE2 3Å; F68-F72 HydrophobicContact CE2-CE2 3Å; F68-F72 HydrophobicContact CE2-CG 4.4Å; F68-F72 AromaticContact CE2-CZ 3.67Å; F68-F72 HydrophobicContact CE2-CZ 3.67Å; F68-F72 AromaticContact CG-CD2 3.86Å; F68-F72 HydrophobicContact CG-CD2 3.86Å; F68-F72 HydrophobicContact CG-CE2 4.2Å; F68-F72 HydrophobicContact CZ-CD1 4.31Å; F68-F72 AromaticContact CZ-CD2 3.39Å; F68-F72 HydrophobicContact CZ-CD2 3.39Å; F68-F72 HydrophobicContact CZ-CE1 4.2Å; F68-F72 AromaticContact CZ-CE2 3.28Å; F68-F72 HydrophobicContact CZ-CE2 3.28Å; F68-F72 AromaticContact CZ-CG 3.93Å; F68-F72 HydrophobicContact CZ-CG 3.93Å; F68-F72 AromaticContact CZ-CZ 3.7Å; F68-F72 HydrophobicContact CZ-CZ 3.7Å; F68-F72 WeakPolarHBondContact O-CB 3.48Å; F68-F72 WeakPolarHBondContact O-CD2 3.43Å; F68-F72 PolarHBondContact O-N 2.91Å; F72-C74 VanDerWaalsContact C-N 3.34Å; F72-F75 PolarHBondContact O-N 3.49Å; F72-H76 VanDerWaalsContact O-CB 3.27Å; F72-H76 WeakPolarHBondContact O-CB 3.48Å; F72-H76 PolarHBondContact O-N 3.49Å; F72-L94 HydrophobicContact CE2-CD2 4.49Å |
| 73 | G | 92.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 71.1 Ų | 71.1 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | R69 Q70 A71 R77 | R69-G73 WeakPolarHBondContact O-CA 2.99Å; R69-G73 PolarHBondContact O-N 2.51Å; Q70-G73 PolarHBondContact O-N 2.93Å; A71-G73 PolarHBondContact O-N 3.08Å; G73-R77 WeakPolarHBondContact O-CG 3.48Å; G73-R77 PolarHBondContact O-N 3.3Å; G73-R77 PolarHBondContact O-NE 3.41Å; G73-R77 PolarHBondContact O-NH1 3.38Å |
| 74 | C | 94.3 | Very high | 92.7 | Very high | 19 Ų | 19 | 68.3 Ų | 68.3 | 13% | 0.128 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.4 | -50.4 | 173.6 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | Q70 A71 F72 H76 R77 S78 C87 | Q70-C74 VanDerWaalsContact O-CB 3.29Å; Q70-C74 WeakPolarHBondContact O-CB 3.35Å; Q70-C74 PolarHBondContact O-N 3.29Å; A71-C74 PolarHBondContact O-N 3.29Å; F72-C74 VanDerWaalsContact C-N 3.34Å; C74-H76 VanDerWaalsContact C-N 3.27Å; C74-H76 PolarHBondContact O-N 3.47Å; C74-R77 CarbonylContact O-C 3.58Å; C74-R77 PolarHBondContact O-N 3.5Å; C74-S78 WeakPolarHBondContact O-CB 3.28Å; C74-S78 PolarHBondContact O-N 2.91Å; C74-C87 HydrophobicContact CB-CB 3.7Å; C74-C87 WeakPolarHBondContact CB-SG 3.43Å; C74-C87 PolarHBondContact O-SG 3.04Å; C74-C87 WeakPolarHBondContact SG-CB 3.4Å; C74-C87 CovalentContact SG-SG 2.02Å; C74-C87 PolarHBondContact SG-SG 3.46Å |
| 75 | F | 93.5 | Very high | 92.8 | Very high | 67 Ų | 67 | 70.9 Ų | 70.9 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.1 | -41.9 | 178.4 | 177.4 | -97.2 | 0 | 0 | 0 | 112.7 | A71 F72 R77 S78 R83 F91 | A71-F75 WeakPolarHBondContact O-CB 3.06Å; A71-F75 PolarHBondContact O-N 2.02Å; F72-F75 PolarHBondContact O-N 3.49Å; F75-R77 VanDerWaalsContact C-N 3.33Å; F75-R77 PolarHBondContact O-N 3.42Å; F75-S78 PolarHBondContact O-N 2.87Å; F75-R83 HydrophobicContact CE2-CB 3.95Å; F75-R83 WeakPolarHBondContact CE2-O 3.45Å; F75-R83 HydrophobicContact CZ-CB 4.37Å; F75-F91 HydrophobicContact CB-CE2 4.21Å; F75-F91 HydrophobicContact CB-CZ 4.06Å; F75-F91 HydrophobicContact CD2-CE2 4.5Å; F75-F91 HydrophobicContact CD2-CZ 4.37Å; F75-F91 HydrophobicContact CG-CZ 4.41Å |
| 76 | H | 91.4 | Very high | 93 | Very high | 65 Ų | 65 | 75.3 Ų | 75.3 | 30% | 0.301 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.5 | -34.8 | 177.6 | -178.3 | 70.9 | 0 | 0 | 0 | 113.1 | G47 I49 F72 C74 | G47-H76 PolarHBondContact O-CD2 2.89Å; G47-H76 PolarHBondContact O-NE2 2.92Å; I49-H76 HydrophobicContact CD1-CB 3.73Å; I49-H76 HydrophobicContact CG1-CB 4.09Å; F72-H76 VanDerWaalsContact O-CB 3.27Å; F72-H76 WeakPolarHBondContact O-CB 3.48Å; F72-H76 PolarHBondContact O-N 3.49Å; C74-H76 VanDerWaalsContact C-N 3.27Å; C74-H76 PolarHBondContact O-N 3.47Å |
| 77 | R | 91.4 | Very high | 93.1 | Very high | 172 Ų | 172 | 67.9 Ų | 67.9 | 65% | 0.649 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -86.1 | -19.6 | 177.3 | -69.2 | -172.8 | -64.6 | -91.6 | -0.7 | 113.7 | G73 C74 F75 K79 | G73-R77 WeakPolarHBondContact O-CG 3.48Å; G73-R77 PolarHBondContact O-N 3.3Å; G73-R77 PolarHBondContact O-NE 3.41Å; G73-R77 PolarHBondContact O-NH1 3.38Å; C74-R77 CarbonylContact O-C 3.58Å; C74-R77 PolarHBondContact O-N 3.5Å; F75-R77 VanDerWaalsContact C-N 3.33Å; F75-R77 PolarHBondContact O-N 3.42Å; R77-K79 PolarHBondContact O-N 3.25Å |
| 78 | S | 93.7 | Very high | 93.1 | Very high | 8 Ų | 8 | 69.5 Ų | 69.5 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | trans | -62.7 | 131.5 | -176.3 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | C74 F75 A80 G84 D86 | C74-S78 WeakPolarHBondContact O-CB 3.28Å; C74-S78 PolarHBondContact O-N 2.91Å; F75-S78 PolarHBondContact O-N 2.87Å; S78-A80 PolarHBondContact OG-N 3.07Å; S78-G84 PolarHBondContact OG-N 2.87Å; S78-D86 WeakPolarHBondContact CB-OD1 3.27Å; S78-D86 PolarHBondContact OG-OD1 3.48Å; S78-D86 PolarHBondContact OG-OD2 3.43Å | ||
| 79 | K | 93.8 | Very high | 93.3 | Very high | 202 Ų | 202 | 76.3 Ų | 76.3 | 88% | 0.878 | 37% | 0.373 | S | S | * | . | trans | -111.6 | 8.4 | 172.8 | -63.5 | -179.8 | -177.8 | 178.6 | 0 | 112.1 | R77 | R77-K79 PolarHBondContact O-N 3.25Š| ||
| 80 | A | 94.4 | Very high | 93.4 | Very high | 32 Ų | 32 | 75 Ų | 75 | 26% | 0.264 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -69.4 | 162 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | S78 P82 R83 S85 D86 | S78-A80 PolarHBondContact OG-N 3.07Å; A80-P82 CarbonylContact C-O 3.35Å; A80-P82 CarbonylContact O-C 3.53Å; A80-R83 VanDerWaalsContact O-CA 3.28Å; A80-R83 WeakPolarHBondContact O-CA 3.21Å; A80-R83 PolarHBondContact O-N 3.46Å; A80-R83 VanDerWaalsContact O-N 3.08Å; A80-S85 WeakPolarHBondContact CB-OG 3.4Å; A80-D86 HydrophobicContact CB-CB 4.46Å |
| 81 | D | 91.1 | Very high | 93.5 | Very high | 160 Ų | 160 | 74.4 Ų | 74.4 | 86% | 0.856 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -119.8 | 108.8 | 176 | -170.6 | 21.7 | 0 | 0 | 0 | 109.3 | ||
| 82 | P | 91.8 | Very high | 93.6 | Very high | 91 Ų | 91 | 79.4 Ų | 79.4 | 59% | 0.591 | 39% | 0.393 | S | S | * | . | S | Bend | cis | -73 | 157.9 | 0.8 | 31.4 | -35.7 | 0 | 0 | 0 | 112.7 | A80 G84 S85 | A80-P82 CarbonylContact C-O 3.35Å; A80-P82 CarbonylContact O-C 3.53Å; P82-G84 PolarHBondContact O-N 3.15Å; P82-S85 VanDerWaalsContact O-CB 3.32Å; P82-S85 WeakPolarHBondContact O-CB 3.29Å; P82-S85 PolarHBondContact O-N 2.89Å; P82-S85 VanDerWaalsContact O-N 3.11Å; P82-S85 PolarHBondContact O-OG 3.28Å |
| 83 | R | 92.4 | Very high | 93.8 | Very high | 153 Ų | 153 | 79.1 Ų | 79.1 | 58% | 0.577 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 131 | 177.7 | -73.8 | -153 | -65.5 | 171 | -2.4 | 110.6 | F75 A80 | F75-R83 HydrophobicContact CE2-CB 3.95Å; F75-R83 WeakPolarHBondContact CE2-O 3.45Å; F75-R83 HydrophobicContact CZ-CB 4.37Å; A80-R83 VanDerWaalsContact O-CA 3.28Å; A80-R83 WeakPolarHBondContact O-CA 3.21Å; A80-R83 PolarHBondContact O-N 3.46Å; A80-R83 VanDerWaalsContact O-N 3.08Å |
| 84 | G | 91.5 | Very high | 93.8 | Very high | 8 Ų | 8 | 79.6 Ų | 79.6 | 8% | 0.082 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 4.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S78 P82 D86 C87 | S78-G84 PolarHBondContact OG-N 2.87Å; P82-G84 PolarHBondContact O-N 3.15Å; G84-D86 PolarHBondContact O-N 3.36Å; G84-C87 WeakPolarHBondContact O-CA 3.03Å; G84-C87 WeakPolarHBondContact O-CB 3.01Å; G84-C87 PolarHBondContact O-N 3Å |
| 85 | S | 94 | Very high | 93.7 | Very high | 56 Ų | 56 | 82.4 Ų | 82.4 | 39% | 0.392 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -61.5 | -23.5 | 172.8 | 49.9 | 0 | 0 | 0 | 0 | 113.3 | A80 P82 C87 V88 | A80-S85 WeakPolarHBondContact CB-OG 3.4Å; P82-S85 VanDerWaalsContact O-CB 3.32Å; P82-S85 WeakPolarHBondContact O-CB 3.29Å; P82-S85 PolarHBondContact O-N 2.89Å; P82-S85 VanDerWaalsContact O-N 3.11Å; P82-S85 PolarHBondContact O-OG 3.28Å; S85-C87 VanDerWaalsContact C-N 3.35Å; S85-V88 WeakPolarHBondContact O-CG2 3.46Å |
| 86 | D | 96 | Very high | 93.8 | Very high | 98 Ų | 98 | 84.2 Ų | 84.2 | 52% | 0.524 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -81.8 | -8.4 | 170.3 | 57.9 | -31.3 | 0 | 0 | 0 | 113.9 | S78 A80 G84 | S78-D86 WeakPolarHBondContact CB-OD1 3.27Å; S78-D86 PolarHBondContact OG-OD1 3.48Å; S78-D86 PolarHBondContact OG-OD2 3.43Å; A80-D86 HydrophobicContact CB-CB 4.46Å; G84-D86 PolarHBondContact O-N 3.36Å |
| 87 | C | 96.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 81.7 Ų | 81.7 | 1% | 0.007 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -107.1 | 10.9 | -174.5 | -55.6 | 0 | 0 | 0 | 0 | 113.6 | C74 G84 S85 E89 H90 F91 | C74-C87 HydrophobicContact CB-CB 3.7Å; C74-C87 WeakPolarHBondContact CB-SG 3.43Å; C74-C87 PolarHBondContact O-SG 3.04Å; C74-C87 WeakPolarHBondContact SG-CB 3.4Å; C74-C87 CovalentContact SG-SG 2.02Å; C74-C87 PolarHBondContact SG-SG 3.46Å; G84-C87 WeakPolarHBondContact O-CA 3.03Å; G84-C87 WeakPolarHBondContact O-CB 3.01Å; G84-C87 PolarHBondContact O-N 3Å; S85-C87 VanDerWaalsContact C-N 3.35Å; C87-E89 VanDerWaalsContact C-N 3.28Å; C87-E89 PolarHBondContact O-N 3.28Å; C87-H90 WeakPolarHBondContact O-CB 3.45Å; C87-H90 PolarHBondContact O-N 3Å; C87-F91 HydrophobicContact CB-CD2 4.24Å; C87-F91 HydrophobicContact CB-CE2 4.15Å; C87-F91 WeakPolarHBondContact O-CD2 3.49Å; C87-F91 PolarHBondContact O-N 3.4Å |
| 88 | V | 94.8 | Very high | 93.9 | Very high | 80 Ų | 80 | 75.3 Ų | 75.3 | 49% | 0.485 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -55.6 | -41.2 | -171.9 | 173.5 | 0 | 0 | 0 | 0 | 112 | S85 H90 F91 L92 | S85-V88 WeakPolarHBondContact O-CG2 3.46Å; V88-H90 VanDerWaalsContact C-N 3.32Å; V88-H90 PolarHBondContact O-N 3.29Å; V88-F91 PolarHBondContact O-N 3.11Å; V88-L92 HydrophobicContact CG1-CD1 4.09Å; V88-L92 HydrophobicContact CG1-CG 4.25Å; V88-L92 WeakPolarHBondContact O-CG 3.17Å; V88-L92 PolarHBondContact O-N 2.75Å |
| 89 | E | 96.2 | Very high | 93.8 | Very high | 155 Ų | 155 | 78.5 Ų | 78.5 | 72% | 0.724 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -59.8 | -40 | 178 | -65.8 | -162.5 | 140.1 | 0 | 0 | 112.7 | C87 F91 L92 N93 | C87-E89 VanDerWaalsContact C-N 3.28Å; C87-E89 PolarHBondContact O-N 3.28Å; E89-F91 PolarHBondContact O-N 3.49Å; E89-L92 PolarHBondContact O-N 3.46Å; E89-N93 VanDerWaalsContact O-CG 3.31Å; E89-N93 PolarHBondContact O-N 3.26Å; E89-N93 PolarHBondContact O-OD1 3.42Å |
| 90 | H | 95.3 | Very high | 93.7 | Very high | 65 Ų | 65 | 76.5 Ų | 76.5 | 30% | 0.301 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 177.3 | -64.5 | -57.8 | 0 | 0 | 0 | 112.1 | A71 C87 V88 N93 L94 | A71-H90 HydrophobicContact CB-CB 3.9Å; C87-H90 WeakPolarHBondContact O-CB 3.45Å; C87-H90 PolarHBondContact O-N 3Å; V88-H90 VanDerWaalsContact C-N 3.32Å; V88-H90 PolarHBondContact O-N 3.29Å; H90-N93 PolarHBondContact O-N 3.35Å; H90-L94 PolarHBondContact O-N 3.29Å |
| 91 | F | 94.4 | Very high | 93.5 | Very high | 51 Ų | 51 | 79.6 Ų | 79.6 | 22% | 0.224 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 174.4 | -78.5 | -76.8 | 0 | 0 | 0 | 111.4 | A71 F75 C87 V88 E89 N93 L94 H95 | A71-F91 HydrophobicContact CB-CD1 4.07Å; A71-F91 HydrophobicContact CB-CD2 4.43Å; A71-F91 HydrophobicContact CB-CE1 4.12Å; A71-F91 HydrophobicContact CB-CE2 4.47Å; A71-F91 HydrophobicContact CB-CG 4.24Å; A71-F91 HydrophobicContact CB-CZ 4.32Å; F75-F91 HydrophobicContact CB-CE2 4.21Å; F75-F91 HydrophobicContact CB-CZ 4.06Å; F75-F91 HydrophobicContact CD2-CE2 4.5Å; F75-F91 HydrophobicContact CD2-CZ 4.37Å; F75-F91 HydrophobicContact CG-CZ 4.41Å; C87-F91 HydrophobicContact CB-CD2 4.24Å; C87-F91 HydrophobicContact CB-CE2 4.15Å; C87-F91 WeakPolarHBondContact O-CD2 3.49Å; C87-F91 PolarHBondContact O-N 3.4Å; V88-F91 PolarHBondContact O-N 3.11Å; E89-F91 PolarHBondContact O-N 3.49Å; F91-N93 VanDerWaalsContact C-N 3.35Å; F91-N93 PolarHBondContact O-N 2.75Å; F91-L94 WeakPolarHBondContact O-CB 3.22Å; F91-L94 PolarHBondContact O-N 3.07Å; F91-H95 PolarHBondContact O-CD2 3.09Å; F91-H95 PolarHBondContact O-N 2.92Å |
| 92 | L | 95.5 | Very high | 93.2 | Very high | 105 Ų | 105 | 76.4 Ų | 76.4 | 55% | 0.55 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 175.7 | -69.7 | 174.8 | 0 | 0 | 0 | 112 | V88 E89 L94 H95 E96 | V88-L92 HydrophobicContact CG1-CD1 4.09Å; V88-L92 HydrophobicContact CG1-CG 4.25Å; V88-L92 WeakPolarHBondContact O-CG 3.17Å; V88-L92 PolarHBondContact O-N 2.75Å; E89-L92 PolarHBondContact O-N 3.46Å; L92-L94 PolarHBondContact O-N 2.8Å; L92-H95 PolarHBondContact O-N 3.29Å; L92-E96 PolarHBondContact O-N 3.02Å |
| 93 | N | 95 | Very high | 92.9 | Very high | 70 Ų | 70 | 74.9 Ų | 74.9 | 37% | 0.374 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 176.5 | -66 | -11 | 0 | 0 | 0 | 112.2 | E67 E89 H90 F91 E96 C97 | E67-N93 HydrophobicContact CG-CB 4.43Å; E67-N93 VanDerWaalsContact OE2-CB 3.31Å; E67-N93 WeakPolarHBondContact OE2-CB 3.45Å; E89-N93 VanDerWaalsContact O-CG 3.31Å; E89-N93 PolarHBondContact O-N 3.26Å; E89-N93 PolarHBondContact O-OD1 3.42Å; H90-N93 PolarHBondContact O-N 3.35Å; F91-N93 VanDerWaalsContact C-N 3.35Å; F91-N93 PolarHBondContact O-N 2.75Å; N93-E96 PolarHBondContact O-N 3.12Å; N93-C97 WeakPolarHBondContact O-CB 3.45Å; N93-C97 PolarHBondContact O-N 2.75Å |
| 94 | L | 93.2 | Very high | 92.3 | Very high | 14 Ų | 14 | 72.8 Ų | 72.8 | 7% | 0.073 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 174 | 174.2 | 60.9 | 0 | 0 | 0 | 111.2 | C64 E67 F68 A71 F72 H90 F91 L92 E96 C97 V98 | C64-L94 HydrophobicContact CB-CD1 4.13Å; E67-L94 HydrophobicContact CB-CB 4.01Å; E67-L94 HydrophobicContact CB-CD1 4.14Å; F68-L94 HydrophobicContact CB-CD1 3.97Å; F68-L94 HydrophobicContact CD2-CD1 4.42Å; F68-L94 HydrophobicContact CD2-CD2 4.07Å; A71-L94 HydrophobicContact CB-CD2 4.26Å; F72-L94 HydrophobicContact CE2-CD2 4.49Å; H90-L94 PolarHBondContact O-N 3.29Å; F91-L94 WeakPolarHBondContact O-CB 3.22Å; F91-L94 PolarHBondContact O-N 3.07Å; L92-L94 PolarHBondContact O-N 2.8Å; L94-E96 PolarHBondContact O-N 3.09Å; L94-C97 PolarHBondContact O-N 3.46Å; L94-V98 HydrophobicContact CD1-CG2 4.09Å; L94-V98 WeakPolarHBondContact O-CG2 3.35Å; L94-V98 PolarHBondContact O-N 3.39Å |
| 95 | H | 92.3 | Very high | 91.4 | Very high | 77 Ų | 77 | 74.1 Ų | 74.1 | 36% | 0.356 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 176.6 | -84.5 | -81.1 | 0 | 0 | 0 | 111.9 | F91 L92 C97 V98 A99 M117 | F91-H95 PolarHBondContact O-CD2 3.09Å; F91-H95 PolarHBondContact O-N 2.92Å; L92-H95 PolarHBondContact O-N 3.29Å; H95-C97 VanDerWaalsContact C-N 3.34Å; H95-C97 PolarHBondContact O-N 2.85Å; H95-V98 PolarHBondContact O-N 2.89Å; H95-A99 WeakPolarHBondContact O-CB 2.89Å; H95-A99 PolarHBondContact O-N 2.95Å; H95-M117 WeakPolarHBondContact CE1-CE 2.93Å |
| 96 | E | 94.5 | Very high | 90 | Very high | 105 Ų | 105 | 74 Ų | 74 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 176.2 | -168.1 | -172.9 | 161.4 | 0 | 0 | 111.4 | L92 N93 L94 A99 R100 | L92-E96 PolarHBondContact O-N 3.02Å; N93-E96 PolarHBondContact O-N 3.12Å; L94-E96 PolarHBondContact O-N 3.09Å; E96-A99 PolarHBondContact O-N 3.31Å; E96-R100 WeakPolarHBondContact O-CG 3.46Å; E96-R100 PolarHBondContact O-N 3.05Å; E96-R100 IonicContact OE1-CZ 3.7Å; E96-R100 IonicContact OE1-NE 3.95Å; E96-R100 IonicContact OE1-NH2 2.7Å; E96-R100 PolarHBondContact OE1-NH2 2.94Å |
| 97 | C | 93.8 | Very high | 88.1 | Confident | 13 Ų | 13 | 74.3 Ų | 74.3 | 9% | 0.088 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.7 | -49.2 | 175.9 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | C64 E67 N93 L94 H95 A99 R100 Y101 | C64-C97 WeakPolarHBondContact CA-SG 2.83Å; C64-C97 HydrophobicContact CB-CB 3.82Å; C64-C97 WeakPolarHBondContact CB-SG 3.17Å; C64-C97 WeakPolarHBondContact SG-CB 3.42Å; C64-C97 PolarHBondContact SG-O 3.2Å; C64-C97 CovalentContact SG-SG 2.04Å; C64-C97 PolarHBondContact SG-SG 3.12Å; E67-C97 HydrophobicContact CG-CB 4.2Å; N93-C97 WeakPolarHBondContact O-CB 3.45Å; N93-C97 PolarHBondContact O-N 2.75Å; L94-C97 PolarHBondContact O-N 3.46Å; H95-C97 VanDerWaalsContact C-N 3.34Å; H95-C97 PolarHBondContact O-N 2.85Å; C97-A99 VanDerWaalsContact C-N 3.26Å; C97-A99 PolarHBondContact O-N 3.12Å; C97-R100 WeakPolarHBondContact O-CB 3.34Å; C97-R100 PolarHBondContact O-N 3.47Å; C97-Y101 VanDerWaalsContact O-CD2 3.22Å; C97-Y101 WeakPolarHBondContact O-CD2 3.44Å |
| 98 | V | 91.1 | Very high | 86 | Confident | 38 Ų | 38 | 80.4 Ų | 80.4 | 23% | 0.23 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60.5 | -38 | 179.9 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | C64 L94 H95 R100 Y101 F105 | C64-V98 HydrophobicContact CB-CG2 4.39Å; C64-V98 PolarHBondContact SG-N 3.41Å; L94-V98 HydrophobicContact CD1-CG2 4.09Å; L94-V98 WeakPolarHBondContact O-CG2 3.35Å; L94-V98 PolarHBondContact O-N 3.39Å; H95-V98 PolarHBondContact O-N 2.89Å; V98-R100 PolarHBondContact O-N 2.81Å; V98-Y101 CarbonylContact O-C 3.45Å; V98-Y101 PolarHBondContact O-N 2.72Å; V98-F105 HydrophobicContact CB-CD2 4.23Å; V98-F105 HydrophobicContact CB-CE2 4.39Å; V98-F105 HydrophobicContact CG1-CB 4Å; V98-F105 HydrophobicContact CG1-CD2 3.75Å; V98-F105 HydrophobicContact CG1-CE2 4.38Å; V98-F105 HydrophobicContact CG1-CG 3.86Å; V98-F105 HydrophobicContact CG2-CD2 4.18Å; V98-F105 HydrophobicContact CG2-CE1 4.39Å; V98-F105 HydrophobicContact CG2-CE2 4.01Å; V98-F105 HydrophobicContact CG2-CG 4.45Å; V98-F105 HydrophobicContact CG2-CZ 4.11Å |
| 99 | A | 91.9 | Very high | 83.7 | Confident | 74 Ų | 74 | 84.8 Ų | 84.8 | 61% | 0.612 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.9 | -25.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | H95 E96 C97 Y101 | H95-A99 WeakPolarHBondContact O-CB 2.89Å; H95-A99 PolarHBondContact O-N 2.95Å; E96-A99 PolarHBondContact O-N 3.31Å; C97-A99 VanDerWaalsContact C-N 3.26Å; C97-A99 PolarHBondContact O-N 3.12Å; A99-Y101 VanDerWaalsContact C-N 3.32Å |
| 100 | R | 92.1 | Very high | 80.8 | Confident | 160 Ų | 160 | 80.1 Ų | 80.1 | 60% | 0.604 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -75.9 | -18.2 | 174.7 | -62.6 | 171.7 | -168 | 169.6 | 3 | 113.1 | E96 C97 V98 P102 | E96-R100 WeakPolarHBondContact O-CG 3.46Å; E96-R100 PolarHBondContact O-N 3.05Å; E96-R100 IonicContact OE1-CZ 3.7Å; E96-R100 IonicContact OE1-NE 3.95Å; E96-R100 IonicContact OE1-NH2 2.7Å; E96-R100 PolarHBondContact OE1-NH2 2.94Å; C97-R100 WeakPolarHBondContact O-CB 3.34Å; C97-R100 PolarHBondContact O-N 3.47Å; V98-R100 PolarHBondContact O-N 2.81Å; R100-P102 WeakPolarHBondContact O-CD 3.47Å |
| 101 | Y | 89.6 | Confident | 78.1 | Confident | 97 Ų | 97 | 82.4 Ų | 82.4 | 38% | 0.38 | 47% | 0.473 | S | S | . | . | trans | -122.1 | 56.4 | -177.7 | -56 | -76.1 | 0 | 0 | 0 | 112.7 | P63 C97 V98 A99 G103 L104 F105 | P63-Y101 HydrophobicContact CB-CD2 4.25Å; P63-Y101 HydrophobicContact CB-CE1 4.34Å; P63-Y101 HydrophobicContact CB-CE2 3.86Å; P63-Y101 HydrophobicContact CG-CD1 4.33Å; P63-Y101 HydrophobicContact CG-CD2 3.9Å; P63-Y101 HydrophobicContact CG-CE1 4.45Å; P63-Y101 HydrophobicContact CG-CE2 4.04Å; P63-Y101 HydrophobicContact CG-CG 4.06Å; C97-Y101 VanDerWaalsContact O-CD2 3.22Å; C97-Y101 WeakPolarHBondContact O-CD2 3.44Å; V98-Y101 CarbonylContact O-C 3.45Å; V98-Y101 PolarHBondContact O-N 2.72Å; A99-Y101 VanDerWaalsContact C-N 3.32Å; Y101-G103 PolarHBondContact O-N 2.89Å; Y101-G103 VanDerWaalsContact O-N 3.12Å; Y101-L104 HydrophobicContact CD1-CD1 4.2Å; Y101-L104 HydrophobicContact CG-CD1 4.32Å; Y101-L104 PolarHBondContact O-N 3.05Å; Y101-L104 VanDerWaalsContact O-N 3.1Å; Y101-F105 WeakPolarHBondContact O-CD2 3.41Å | ||
| 102 | P | 86.2 | Confident | 75.4 | Confident | 94 Ų | 94 | 84.9 Ų | 84.9 | 61% | 0.61 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59 | -33.1 | -173 | 24.6 | -34.2 | 0 | 0 | 0 | 113 | R100 S106 | R100-P102 WeakPolarHBondContact O-CD 3.47Å; P102-S106 WeakPolarHBondContact O-CB 3.2Å; P102-S106 PolarHBondContact O-N 2.84Å; P102-S106 PolarHBondContact O-OG 2.9Å |
| 103 | G | 83.8 | Confident | 73.1 | Confident | 58 Ų | 58 | 87.2 Ų | 87.2 | 60% | 0.598 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -76.4 | -15.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y101 S106 | Y101-G103 PolarHBondContact O-N 2.89Å; Y101-G103 VanDerWaalsContact O-N 3.12Å; G103-S106 WeakPolarHBondContact CA-OG 3.34Å; G103-S106 PolarHBondContact O-OG 3.18Å; G103-S106 VanDerWaalsContact O-OG 3.11Å |
| 104 | L | 79.9 | Confident | 70.7 | Confident | 109 Ų | 109 | 92 Ų | 92 | 57% | 0.571 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -89 | -36.6 | 178.2 | -68.8 | 179.1 | 0 | 0 | 0 | 111.7 | P63 Y101 | P63-L104 HydrophobicContact CG-CD1 3.75Å; Y101-L104 HydrophobicContact CD1-CD1 4.2Å; Y101-L104 HydrophobicContact CG-CD1 4.32Å; Y101-L104 PolarHBondContact O-N 3.05Å; Y101-L104 VanDerWaalsContact O-N 3.1Å |
| 105 | F | 73.9 | Confident | 68.5 | Low | 37 Ų | 37 | 99.1 Ų | 99.1 | 16% | 0.162 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -96 | -5.7 | -179.1 | -59.8 | -78.8 | 0 | 0 | 0 | 112.7 | M59 C64 V98 Y101 S107 V108 | M59-F105 HydrophobicContact CE-CE1 4.48Å; M59-F105 HydrophobicContact CG-CE1 4.41Å; C64-F105 HydrophobicContact CB-CZ 4.18Å; V98-F105 HydrophobicContact CB-CD2 4.23Å; V98-F105 HydrophobicContact CB-CE2 4.39Å; V98-F105 HydrophobicContact CG1-CB 4Å; V98-F105 HydrophobicContact CG1-CD2 3.75Å; V98-F105 HydrophobicContact CG1-CE2 4.38Å; V98-F105 HydrophobicContact CG1-CG 3.86Å; V98-F105 HydrophobicContact CG2-CD2 4.18Å; V98-F105 HydrophobicContact CG2-CE1 4.39Å; V98-F105 HydrophobicContact CG2-CE2 4.01Å; V98-F105 HydrophobicContact CG2-CG 4.45Å; V98-F105 HydrophobicContact CG2-CZ 4.11Å; Y101-F105 WeakPolarHBondContact O-CD2 3.41Å; F105-S107 PolarHBondContact O-N 3.06Å; F105-V108 PolarHBondContact O-N 3.5Å |
| 106 | S | 64.5 | Low | 66.4 | Low | 53 Ų | 53 | 98 Ų | 98 | 37% | 0.371 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -65.5 | -17.6 | 175.7 | 50.4 | 0 | 0 | 0 | 0 | 114.1 | P102 G103 V108 K109 | P102-S106 WeakPolarHBondContact O-CB 3.2Å; P102-S106 PolarHBondContact O-N 2.84Å; P102-S106 PolarHBondContact O-OG 2.9Å; G103-S106 WeakPolarHBondContact CA-OG 3.34Å; G103-S106 PolarHBondContact O-OG 3.18Å; G103-S106 VanDerWaalsContact O-OG 3.11Å; S106-V108 PolarHBondContact O-N 2.9Å; S106-K109 WeakPolarHBondContact O-CA 3.48Å; S106-K109 WeakPolarHBondContact O-CB 3.43Å; S106-K109 PolarHBondContact O-N 3.32Å |
| 107 | S | 55.3 | Low | 64.6 | Low | 104 Ų | 104 | 98.5 Ų | 98.5 | 73% | 0.727 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -65.5 | -17.8 | 173.3 | -55.8 | 0 | 0 | 0 | 0 | 112.9 | F105 K109 | F105-S107 PolarHBondContact O-N 3.06Å; S107-K109 VanDerWaalsContact C-N 3.34Å |
| 108 | V | 52.5 | Low | 62.6 | Low | 129 Ų | 129 | 101.1 Ų | 101.1 | 78% | 0.782 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -77.5 | -23.3 | 169 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | F105 S106 G110 | F105-V108 PolarHBondContact O-N 3.5Å; S106-V108 PolarHBondContact O-N 2.9Å; V108-G110 PolarHBondContact O-N 3.48Å |
| 109 | K | 46.4 | Very low | 60.8 | Low | 173 Ų | 173 | 103 Ų | 103 | 75% | 0.752 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -86.4 | 21.6 | 178.3 | -76.9 | -166.2 | 151.5 | 105.6 | 0 | 113.7 | S106 S107 | S106-K109 WeakPolarHBondContact O-CA 3.48Å; S106-K109 WeakPolarHBondContact O-CB 3.43Å; S106-K109 PolarHBondContact O-N 3.32Å; S107-K109 VanDerWaalsContact C-N 3.34Å |
| 110 | G | 36.6 | Very low | 59 | Low | 57 Ų | 57 | 106.4 Ų | 106.4 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | trans | -109.9 | 50.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116 | V108 | V108-G110 PolarHBondContact O-N 3.48Š| ||
| 111 | S | 38.3 | Very low | 57.5 | Low | 112 Ų | 112 | 105.9 Ų | 105.9 | 78% | 0.783 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -167.1 | 89.2 | 152.1 | -86.9 | 0 | 0 | 0 | 0 | 109.2 | ||
| 112 | S | 37.7 | Very low | 55.7 | Low | 103 Ų | 103 | 108.8 Ų | 108.8 | 72% | 0.72 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 65.1 | 135.7 | 161.9 | -49.3 | 0 | 0 | 0 | 0 | 117 | ||
| 113 | D | 45.8 | Very low | 53.3 | Low | 154 Ų | 154 | 107 Ų | 107 | 82% | 0.824 | 63% | 0.631 | S | S | * | * | trans | 80.5 | 83.3 | 164.6 | -45.1 | -37.8 | 0 | 0 | 0 | 115.1 | E115 | D113-E115 VanDerWaalsContact C-N 3.28Å; D113-E115 PolarHBondContact O-N 2.86Å | ||
| 114 | D | 45.6 | Very low | 51.5 | Low | 171 Ų | 171 | 110.8 Ų | 110.8 | 91% | 0.914 | 64% | 0.637 | S | S | * | * | trans | -34.4 | 82.6 | 148.9 | -150.3 | -58 | 0 | 0 | 0 | 111.9 | ||||
| 115 | E | 47.5 | Very low | 50 | Low | 163 Ų | 163 | 110.8 Ų | 110.8 | 76% | 0.762 | 65% | 0.646 | S | S | * | * | trans | -149.3 | 100.2 | 154 | -72.3 | -135.8 | 116.5 | 0 | 0 | 110.8 | D113 | D113-E115 VanDerWaalsContact C-N 3.28Å; D113-E115 PolarHBondContact O-N 2.86Å | ||
| 116 | S | 46.5 | Very low | 48.3 | Very low | 54 Ų | 54 | 116.8 Ų | 116.8 | 38% | 0.378 | 68% | 0.68 | S | S | . | * | trans | 35.9 | 122.7 | 144.1 | 111 | 0 | 0 | 0 | 0 | 121.3 | A118 D119 | S116-A118 PolarHBondContact O-N 2.74Å; S116-A118 WeakPolarHBondContact OG-CA 3.32Å; S116-A118 WeakPolarHBondContact OG-CB 3.15Å; S116-A118 PolarHBondContact OG-N 2.83Å; S116-A118 VanDerWaalsContact OG-N 3.12Å; S116-D119 PolarHBondContact O-N 2.65Å; S116-D119 VanDerWaalsContact O-N 3.12Å; S116-D119 PolarHBondContact OG-N 2.88Å; S116-D119 PolarHBondContact OG-OD2 3.39Å | ||
| 117 | M | 57 | Low | 47.4 | Very low | 115 Ų | 115 | 121.8 Ų | 121.8 | 57% | 0.567 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -4 | 154 | -85.6 | -91.6 | -91.1 | 0 | 0 | 112.8 | H95 L120 | H95-M117 WeakPolarHBondContact CE1-CE 2.93Å; M117-L120 HydrophobicContact SD-CD1 4.36Å |
| 118 | A | 53.5 | Low | 46.6 | Very low | 68 Ų | 68 | 124.1 Ų | 124.1 | 56% | 0.562 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -22.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S116 M121 K122 | S116-A118 PolarHBondContact O-N 2.74Å; S116-A118 WeakPolarHBondContact OG-CA 3.32Å; S116-A118 WeakPolarHBondContact OG-CB 3.15Å; S116-A118 PolarHBondContact OG-N 2.83Å; S116-A118 VanDerWaalsContact OG-N 3.12Å; A118-M121 PolarHBondContact O-N 3.02Å; A118-K122 PolarHBondContact O-N 3.14Å |
| 119 | D | 51.5 | Low | 45.8 | Very low | 77 Ų | 77 | 126 Ų | 126 | 41% | 0.412 | 70% | 0.7 | S | S | . | * | G | 310 helix | trans | -76.2 | -26.6 | 177.5 | -78.6 | -67.5 | 0 | 0 | 0 | 112.7 | S116 M121 K122 | S116-D119 PolarHBondContact O-N 2.65Å; S116-D119 VanDerWaalsContact O-N 3.12Å; S116-D119 PolarHBondContact OG-N 2.88Å; S116-D119 PolarHBondContact OG-OD2 3.39Å; D119-M121 PolarHBondContact O-N 3.39Å; D119-K122 PolarHBondContact O-N 2.97Å |
| 120 | L | 55.5 | Low | 45.5 | Very low | 146 Ų | 146 | 126 Ų | 126 | 76% | 0.764 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -70.9 | -17.5 | 172.2 | -74.3 | 167.4 | 0 | 0 | 0 | 113.6 | M117 | M117-L120 HydrophobicContact SD-CD1 4.36Š|
| 121 | M | 60.9 | Low | 45.7 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 74% | 0.739 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -95.2 | -6 | 173.8 | -67.1 | -65.4 | -169.7 | 0 | 0 | 112.6 | A118 D119 G123 | A118-M121 PolarHBondContact O-N 3.02Å; D119-M121 PolarHBondContact O-N 3.39Å; M121-G123 PolarHBondContact O-N 2.8Å; M121-G123 VanDerWaalsContact O-N 3.08Å |
| 122 | K | 50 | Low | 45.8 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 68% | 0.683 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -89 | 71.9 | 174.9 | -152.2 | 161.4 | 179.6 | -178.2 | 0 | 108.5 | A118 D119 D124 | A118-K122 PolarHBondContact O-N 3.14Å; D119-K122 PolarHBondContact O-N 2.97Å; K122-D124 PolarHBondContact O-N 3.47Å |
| 123 | G | 36 | Very low | 45.8 | Very low | 57 Ų | 57 | 138.2 Ų | 138.2 | 59% | 0.588 | 72% | 0.724 | S | S | * | * | trans | -49.8 | 128.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | M121 S125 | M121-G123 PolarHBondContact O-N 2.8Å; M121-G123 VanDerWaalsContact O-N 3.08Å; G123-S125 VanDerWaalsContact C-N 3.31Å; G123-S125 PolarHBondContact O-N 2.86Å | ||
| 124 | D | 46.8 | Very low | 45.6 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -46.1 | 91.5 | 166 | -159.2 | -107.8 | 0 | 0 | 0 | 109.2 | K122 | K122-D124 PolarHBondContact O-N 3.47Š|
| 125 | S | 47.7 | Very low | 45.6 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | trans | -134.5 | 8.4 | 173 | -75.6 | 0 | 0 | 0 | 0 | 112.7 | G123 K127 | G123-S125 VanDerWaalsContact C-N 3.31Å; G123-S125 PolarHBondContact O-N 2.86Å; S125-K127 VanDerWaalsContact C-N 3.31Å; S125-K127 PolarHBondContact O-N 3.18Å | ||
| 126 | D | 39.7 | Very low | 45.5 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 87% | 0.872 | 72% | 0.721 | S | S | * | * | trans | -93.2 | 67.8 | 165.2 | -76 | -57.1 | 0 | 0 | 0 | 109.5 | ||||
| 127 | K | 45 | Very low | 45.4 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | trans | -113.3 | 114.5 | 158 | -88.2 | -175.5 | 178.9 | 170.4 | 0 | 108.9 | S125 | S125-K127 VanDerWaalsContact C-N 3.31Å; S125-K127 PolarHBondContact O-N 3.18Å | ||
| 128 | D | 38.3 | Very low | 44.7 | Very low | 153 Ų | 153 | 147.9 Ų | 147.9 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 78.2 | 136.8 | 156.1 | -61.4 | -61.9 | 0 | 0 | 0 | 118.2 | ||
| 129 | E | 36.6 | Very low | 44.6 | Very low | 170 Ų | 170 | 150 Ų | 150 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | 91.6 | 72.1 | 161 | -145.7 | 169.9 | 104.3 | 0 | 0 | 118.5 | ||||
| 130 | H | 38.5 | Very low | 44.5 | Very low | 171 Ų | 171 | 153.3 Ų | 153.3 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | 171.9 | 89.4 | 112.6 | -93.8 | 148.2 | 0 | 0 | 0 | 111.8 | |||||
| 131 | Q | 40.6 | Very low | 44.5 | Very low | 199 Ų | 199 | 150.6 Ų | 150.6 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | trans | -140.1 | 80.4 | 153.7 | -76 | -171.3 | 41.2 | 0 | 0 | 108.8 | ||||
| 132 | H | 41.2 | Very low | 44.1 | Very low | 174 Ų | 174 | 155 Ų | 155 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -163.2 | 73.9 | 154.6 | -160.2 | -102.5 | 0 | 0 | 0 | 111.3 | ||||
| 133 | L | 37.2 | Very low | 44.3 | Very low | 156 Ų | 156 | 151.8 Ų | 151.8 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | trans | -163.8 | 61.8 | 146.4 | -132.6 | 69.6 | 0 | 0 | 0 | 111.8 | K135 | L133-K135 PolarHBondContact O-N 3.39Š| ||
| 134 | E | 42.7 | Very low | 45 | Very low | 189 Ų | 189 | 155.2 Ų | 155.2 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -71.6 | 102.1 | 153 | -70.4 | -164.4 | 113 | 0 | 0 | 108.1 | ||||
| 135 | K | 44 | Very low | 45.5 | Very low | 176 Ų | 176 | 156.1 Ų | 156.1 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | trans | 175.2 | 131.5 | 145.3 | -96.4 | 156.3 | -170.8 | 176.1 | 0 | 110.2 | L133 | L133-K135 PolarHBondContact O-N 3.39Š| ||
| 136 | N | 45.4 | Very low | 45.6 | Very low | 147 Ų | 147 | 155.6 Ų | 155.6 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | 86.3 | 90.7 | 165.4 | -44.9 | -34 | 0 | 0 | 0 | 115.7 | ||||
| 137 | F | 44.4 | Very low | 46 | Very low | 211 Ų | 211 | 152.3 Ų | 152.3 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | -165.2 | 110.3 | 110.2 | -135.2 | -105.3 | 0 | 0 | 0 | 111 | |||||
| 138 | D | 43.2 | Very low | 47.1 | Very low | 138 Ų | 138 | 150.6 Ų | 150.6 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | -57.8 | 155.8 | 167.6 | -81.3 | -85.4 | 0 | 0 | 0 | 113.1 | ||||
| 139 | S | 51.4 | Low | 48 | Very low | 113 Ų | 113 | 149.4 Ų | 149.4 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | 76.6 | 105.8 | 146.6 | -75.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 140 | N | 48.5 | Very low | 48.6 | Very low | 146 Ų | 146 | 148.2 Ų | 148.2 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | 120.8 | 119.1 | 112.3 | -160.7 | 30.5 | 0 | 0 | 0 | 116 | |||||
| 141 | S | 57.1 | Low | 49.7 | Very low | 88 Ų | 88 | 150 Ų | 150 | 62% | 0.615 | 81% | 0.813 | S | S | * | * | trans | 71.1 | 109.9 | 145 | -72.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 142 | R | 52.2 | Low | 50.8 | Low | 244 Ų | 244 | 144.8 Ų | 144.8 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | 86.9 | 96.5 | 71.7 | -172.2 | -176.8 | -171 | 155.6 | 4 | 112.7 | |||||
| 143 | A | 52.9 | Low | 51.7 | Low | 89 Ų | 89 | 142.2 Ų | 142.2 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | 177.5 | 102.1 | 145.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 144 | V | 51.7 | Low | 53.3 | Low | 128 Ų | 128 | 140.8 Ų | 140.8 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | 21.5 | 132.4 | 104.4 | -67.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 145 | I | 56.6 | Low | 54 | Low | 158 Ų | 158 | 138 Ų | 138 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | -173 | 135.3 | 73.6 | -66.9 | 146 | 0 | 0 | 0 | 110.7 | |||||
| 146 | A | 49.3 | Very low | 54.9 | Low | 97 Ų | 97 | 134.3 Ų | 134.3 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | 39.8 | 140.2 | 145.7 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 147 | A | 48.7 | Very low | 55.4 | Low | 93 Ų | 93 | 139 Ų | 139 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 158.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 148 | P | 68.6 | Low | 56 | Low | 123 Ų | 123 | 135.4 Ų | 135.4 | 80% | 0.799 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 154 | 169 | 36.4 | -30.3 | 0 | 0 | 0 | 113.3 | ||
| 149 | P | 57.7 | Low | 56.7 | Low | 127 Ų | 127 | 135.2 Ų | 135.2 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 164.5 | -177.8 | 36.4 | -34.2 | 0 | 0 | 0 | 114.3 | ||
| 150 | T | 49.3 | Very low | 56.9 | Low | 145 Ų | 145 | 136.4 Ų | 136.4 | 89% | 0.89 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 151.7 | 179.8 | 39.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 151 | K | 61.5 | Low | 57.4 | Low | 210 Ų | 210 | 135.9 Ų | 135.9 | 91% | 0.913 | 84% | 0.836 | S | S | * | * | trans | -136.5 | 127.2 | 164.7 | -161.8 | 176.4 | -177.3 | -174 | 0 | 110.3 | ||||
| 152 | A | 62.2 | Low | 57.5 | Low | 88 Ų | 88 | 138.9 Ų | 138.9 | 73% | 0.727 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 162.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 153 | P | 61.5 | Low | 57.8 | Low | 120 Ų | 120 | 131.9 Ų | 131.9 | 78% | 0.779 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 162.1 | -172.6 | 35.9 | -33.7 | 0 | 0 | 0 | 112.8 | ||
| 154 | P | 70.4 | Confident | 58.2 | Low | 127 Ų | 127 | 134.9 Ų | 134.9 | 83% | 0.825 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 131.9 | 172.2 | 32.9 | -29.9 | 0 | 0 | 0 | 112 | ||
| 155 | S | 58.1 | Low | 58.7 | Low | 130 Ų | 130 | 135.5 Ų | 135.5 | 91% | 0.909 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 134.9 | 152.5 | -61.1 | 0 | 0 | 0 | 0 | 108.4 | ||
| 156 | A | 63.1 | Low | 58.8 | Low | 99 Ų | 99 | 133.6 Ų | 133.6 | 82% | 0.818 | 86% | 0.863 | S | S | * | * | trans | -146.5 | 141.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 157 | D | 55.6 | Low | 59.7 | Low | 244 Ų | 244 | 136.9 Ų | 136.9 | 100% | 1.305 | 87% | 0.869 | S | S | * | * | trans | -29.7 | 0 | 165.9 | -120.6 | -105.3 | 0 | 0 | 0 | 115.4 |
Retrieved 157 of 157 residues in 136.8 ms
(Link to these results)