| 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 | 37.4 | Very low | 51.7 | Low | 247 Ų | 247 | 111.4 Ų | 111.4 | 100% | 1.217 | 64% | 0.643 | S | S | * | * | 0 | 96.7 | 0 | -74.2 | 176.1 | 148.5 | 0 | 0 | 107.3 | |||||
| 2 | T | 41.9 | Very low | 52.8 | Low | 138 Ų | 138 | 110.4 Ų | 110.4 | 85% | 0.847 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 129.9 | 176.7 | 10.7 | 0 | 0 | 0 | 0 | 108.3 | G4 | T2-G4 PolarHBondContact O-N 3.35Š|
| 3 | P | 47 | Very low | 53.6 | Low | 122 Ų | 122 | 104.2 Ų | 104.2 | 79% | 0.792 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 132 | 174.4 | -16.8 | 29.6 | 0 | 0 | 0 | 109.3 | T5 | P3-T5 PolarHBondContact O-N 3.3Š|
| 4 | G | 45.2 | Very low | 54.2 | Low | 74 Ų | 74 | 100.2 Ų | 100.2 | 76% | 0.763 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 121.6 | -178 | 0 | 0 | 0 | 0 | 0 | 111.6 | T2 Q6 | T2-G4 PolarHBondContact O-N 3.35Å; G4-Q6 PolarHBondContact O-N 3.3Å |
| 5 | T | 50.7 | Low | 54.4 | Low | 143 Ų | 143 | 100.7 Ų | 100.7 | 88% | 0.877 | 57% | 0.572 | S | S | * | * | trans | -59 | 104.6 | 162 | 16.3 | 0 | 0 | 0 | 0 | 108 | P3 S7 | P3-T5 PolarHBondContact O-N 3.3Å; T5-S7 PolarHBondContact O-N 3.36Å | ||
| 6 | Q | 53.4 | Low | 54.6 | Low | 128 Ų | 128 | 99.1 Ų | 99.1 | 60% | 0.598 | 56% | 0.564 | S | S | * | * | trans | -61 | 126.2 | 163.2 | -84.1 | -149.8 | -33.2 | 0 | 0 | 108.2 | G4 | G4-Q6 PolarHBondContact O-N 3.3Š| ||
| 7 | S | 52.8 | Low | 54.8 | Low | 32 Ų | 32 | 96.8 Ų | 96.8 | 22% | 0.224 | 55% | 0.552 | C | S | . | * | trans | -58.6 | 132.3 | 176.2 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | T5 F9 F10 | T5-S7 PolarHBondContact O-N 3.36Å; S7-F9 PolarHBondContact O-N 3.25Å; S7-F9 VanDerWaalsContact O-N 3.07Å; S7-F10 PolarHBondContact O-N 2.84Å | ||
| 8 | P | 59 | Low | 54.7 | Low | 84 Ų | 84 | 98.4 Ų | 98.4 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -58.7 | -23.6 | -179.5 | 24.2 | -33.8 | 0 | 0 | 0 | 112.5 | L11 L12 | P8-L11 PolarHBondContact O-N 3.17Å; P8-L12 VanDerWaalsContact O-CD1 3.3Å; P8-L12 WeakPolarHBondContact O-CD1 3.47Å; P8-L12 PolarHBondContact O-N 3.49Å |
| 9 | F | 58.4 | Low | 54.3 | Low | 127 Ų | 127 | 98.7 Ų | 98.7 | 56% | 0.557 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.4 | -36.1 | -179.9 | -71.9 | -80.1 | 0 | 0 | 0 | 113.9 | S7 L11 L12 L13 | S7-F9 PolarHBondContact O-N 3.25Å; S7-F9 VanDerWaalsContact O-N 3.07Å; F9-L11 VanDerWaalsContact C-N 3.26Å; F9-L11 PolarHBondContact O-N 2.68Å; F9-L12 PolarHBondContact O-N 3.36Å; F9-L12 VanDerWaalsContact O-N 3.15Å; F9-L13 PolarHBondContact O-N 3.11Å |
| 10 | F | 59.5 | Low | 54.1 | Low | 28 Ų | 28 | 97.9 Ų | 97.9 | 12% | 0.123 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -60.2 | -39.6 | 177.2 | -178.7 | -105.2 | 0 | 0 | 0 | 111.5 | S7 L13 L14 E102 | S7-F10 PolarHBondContact O-N 2.84Å; F10-L13 PolarHBondContact O-N 3.35Å; F10-L14 HydrophobicContact CD1-CD1 3.65Å; F10-L14 HydrophobicContact CE1-CD1 3.1Å; F10-L14 HydrophobicContact CE2-CD1 4.16Å; F10-L14 HydrophobicContact CG-CD1 4.39Å; F10-L14 HydrophobicContact CZ-CD1 3.39Å; F10-L14 WeakPolarHBondContact O-CB 3.39Å; F10-L14 PolarHBondContact O-N 3.04Å; F10-E102 HydrophobicContact CE2-CB 4.05Å; F10-E102 WeakPolarHBondContact CE2-OE2 3.42Å |
| 11 | L | 63.7 | Low | 53.5 | Low | 102 Ų | 102 | 98.6 Ų | 98.6 | 53% | 0.534 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.7 | -39.2 | 176.9 | -63.9 | 176 | 0 | 0 | 0 | 112.1 | P8 F9 L15 | P8-L11 PolarHBondContact O-N 3.17Å; F9-L11 VanDerWaalsContact C-N 3.26Å; F9-L11 PolarHBondContact O-N 2.68Å; L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.35Å; L11-L15 PolarHBondContact O-N 3.45Å |
| 12 | L | 64.2 | Low | 53.6 | Low | 100 Ų | 100 | 93.2 Ų | 93.2 | 52% | 0.524 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.1 | -39.8 | 174.8 | -86.3 | 112.7 | 0 | 0 | 0 | 112.1 | P8 F9 L15 T16 | P8-L12 VanDerWaalsContact O-CD1 3.3Å; P8-L12 WeakPolarHBondContact O-CD1 3.47Å; P8-L12 PolarHBondContact O-N 3.49Å; F9-L12 PolarHBondContact O-N 3.36Å; F9-L12 VanDerWaalsContact O-N 3.15Å; L12-L15 PolarHBondContact O-N 3Å; L12-T16 PolarHBondContact O-N 2.95Å; L12-T16 PolarHBondContact O-OG1 3.02Å |
| 13 | L | 64.4 | Low | 53.9 | Low | 29 Ų | 29 | 91.1 Ų | 91.1 | 15% | 0.152 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -64.6 | -47.5 | 176.4 | -172.9 | 62.9 | 0 | 0 | 0 | 110.9 | F9 F10 L15 T16 V17 D99 M103 | F9-L13 PolarHBondContact O-N 3.11Å; F10-L13 PolarHBondContact O-N 3.35Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 3.21Å; L13-T16 WeakPolarHBondContact O-CB 3.42Å; L13-T16 PolarHBondContact O-N 3.3Å; L13-V17 PolarHBondContact O-N 3.12Å; L13-V17 VanDerWaalsContact O-N 3.11Å; L13-D99 HydrophobicContact CD2-CB 4.32Å; L13-M103 HydrophobicContact CD1-SD 3.71Å; L13-M103 HydrophobicContact CD2-CB 4Å; L13-M103 HydrophobicContact CD2-CG 4.37Å; L13-M103 HydrophobicContact CD2-SD 3.85Å; L13-M103 HydrophobicContact CG-CG 4.46Å; L13-M103 HydrophobicContact CG-SD 3.66Å |
| 14 | L | 62 | Low | 53.6 | Low | 49 Ų | 49 | 91.7 Ų | 91.7 | 26% | 0.257 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -57.6 | -44.1 | 174.3 | -111.2 | 146.3 | 0 | 0 | 0 | 112.7 | F10 T16 V17 L18 | F10-L14 HydrophobicContact CD1-CD1 3.65Å; F10-L14 HydrophobicContact CE1-CD1 3.1Å; F10-L14 HydrophobicContact CE2-CD1 4.16Å; F10-L14 HydrophobicContact CG-CD1 4.39Å; F10-L14 HydrophobicContact CZ-CD1 3.39Å; F10-L14 WeakPolarHBondContact O-CB 3.39Å; F10-L14 PolarHBondContact O-N 3.04Å; L14-T16 VanDerWaalsContact C-N 3.3Å; L14-T16 PolarHBondContact O-N 3.14Å; L14-V17 PolarHBondContact O-N 3.34Å; L14-L18 WeakPolarHBondContact O-CB 3.47Å; L14-L18 PolarHBondContact O-N 3.48Å |
| 15 | L | 56.3 | Low | 53.3 | Low | 108 Ų | 108 | 97.1 Ų | 97.1 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.5 | -38.8 | 179.2 | -171.5 | 62.8 | 0 | 0 | 0 | 111.4 | L11 L12 L13 L18 T19 | L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.35Å; L11-L15 PolarHBondContact O-N 3.45Å; L12-L15 PolarHBondContact O-N 3Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 3.21Å; L15-L18 PolarHBondContact O-N 2.93Å; L15-T19 PolarHBondContact O-N 2.77Å; L15-T19 PolarHBondContact O-OG1 3.19Å |
| 16 | T | 58.5 | Low | 53.4 | Low | 74 Ų | 74 | 95.2 Ų | 95.2 | 45% | 0.454 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 177 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | L12 L13 L14 L18 T19 | L12-T16 PolarHBondContact O-N 2.95Å; L12-T16 PolarHBondContact O-OG1 3.02Å; L13-T16 WeakPolarHBondContact O-CB 3.42Å; L13-T16 PolarHBondContact O-N 3.3Å; L14-T16 VanDerWaalsContact C-N 3.3Å; L14-T16 PolarHBondContact O-N 3.14Å; T16-L18 PolarHBondContact O-N 3.08Å; T16-T19 PolarHBondContact O-N 2.83Å |
| 17 | V | 57.5 | Low | 52.6 | Low | 60 Ų | 60 | 94 Ų | 94 | 36% | 0.364 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.7 | -42.5 | 176.4 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | L13 L14 T19 A20 M103 | L13-V17 PolarHBondContact O-N 3.12Å; L13-V17 VanDerWaalsContact O-N 3.11Å; L14-V17 PolarHBondContact O-N 3.34Å; V17-T19 PolarHBondContact O-N 3.12Å; V17-A20 PolarHBondContact O-N 2.9Å; V17-M103 HydrophobicContact CG2-CG 3.93Å; V17-M103 HydrophobicContact CG2-SD 3.47Å; V17-M103 WeakPolarHBondContact CG2-SD 3.29Å |
| 18 | L | 52.1 | Low | 52.3 | Low | 126 Ų | 126 | 98.1 Ų | 98.1 | 66% | 0.66 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.7 | -27.2 | -177.4 | -153 | 71.4 | 0 | 0 | 0 | 112.7 | L14 L15 T16 A20 T21 | L14-L18 WeakPolarHBondContact O-CB 3.47Å; L14-L18 PolarHBondContact O-N 3.48Å; L15-L18 PolarHBondContact O-N 2.93Å; T16-L18 PolarHBondContact O-N 3.08Å; L18-A20 VanDerWaalsContact C-N 3.32Å; L18-T21 PolarHBondContact O-OG1 2.91Å |
| 19 | T | 47.3 | Very low | 51.3 | Low | 105 Ų | 105 | 100.6 Ų | 100.6 | 64% | 0.644 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -81.1 | -12.2 | -177.5 | -43.3 | 0 | 0 | 0 | 0 | 112.7 | L15 T16 V17 | L15-T19 PolarHBondContact O-N 2.77Å; L15-T19 PolarHBondContact O-OG1 3.19Å; T16-T19 PolarHBondContact O-N 2.83Å; V17-T19 PolarHBondContact O-N 3.12Å |
| 20 | A | 50.9 | Low | 50.5 | Low | 81 Ų | 81 | 100.7 Ų | 100.7 | 67% | 0.669 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -7.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | V17 L18 T22 | V17-A20 PolarHBondContact O-N 2.9Å; L18-A20 VanDerWaalsContact C-N 3.32Å; A20-T22 PolarHBondContact O-N 2.7Å |
| 21 | T | 41.5 | Very low | 49.3 | Very low | 114 Ų | 114 | 105.6 Ų | 105.6 | 70% | 0.699 | 64% | 0.641 | S | S | * | * | trans | -94.9 | 74.8 | 179.4 | 36.2 | 0 | 0 | 0 | 0 | 112.9 | L18 | L18-T21 PolarHBondContact O-OG1 2.91Š| ||
| 22 | T | 39.7 | Very low | 47.8 | Very low | 134 Ų | 134 | 103.8 Ų | 103.8 | 82% | 0.822 | 65% | 0.647 | S | S | * | * | trans | -129.7 | 113.1 | 150.4 | 42.7 | 0 | 0 | 0 | 0 | 109 | A20 | A20-T22 PolarHBondContact O-N 2.7Š| ||
| 23 | A | 47.1 | Very low | 46.2 | Very low | 94 Ų | 94 | 105.4 Ų | 105.4 | 78% | 0.777 | 67% | 0.666 | S | S | * | * | trans | -79.8 | 176.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 24 | P | 42.4 | Very low | 44.6 | Very low | 133 Ų | 133 | 107.8 Ų | 107.8 | 86% | 0.864 | 70% | 0.698 | S | S | * | * | -138.2 | 150.3 | 83.4 | 27.5 | -7.7 | 0 | 0 | 0 | 116.8 | |||||
| 25 | K | 38.1 | Very low | 43.3 | Very low | 188 Ų | 188 | 114.8 Ų | 114.8 | 82% | 0.817 | 73% | 0.729 | S | S | * | * | trans | -80.1 | 177.1 | 161.5 | -140.8 | -163.7 | 155.6 | 161.5 | 0 | 109.1 | ||||
| 26 | P | 53.2 | Low | 42.1 | Very low | 104 Ų | 104 | 114.6 Ų | 114.6 | 68% | 0.675 | 74% | 0.743 | S | S | * | * | cis | -138.6 | 174.5 | -8.8 | 41.5 | -24 | 0 | 0 | 0 | 116 | ||||
| 27 | A | 35.2 | Very low | 40.9 | Very low | 101 Ų | 101 | 116.3 Ų | 116.3 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | trans | -161.4 | 127.2 | 140.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 28 | T | 46.8 | Very low | 39.7 | Very low | 120 Ų | 120 | 119.2 Ų | 119.2 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | -92 | 139.1 | 174.9 | -61.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 29 | V | 38.6 | Very low | 38.7 | Very low | 136 Ų | 136 | 119.5 Ų | 119.5 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -136.1 | 119.5 | 156 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 30 | V | 41.8 | Very low | 38.7 | Very low | 129 Ų | 129 | 120.3 Ų | 120.3 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | trans | -108.3 | 131.5 | 167.5 | 160.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 31 | T | 34.1 | Very low | 37.6 | Very low | 130 Ų | 130 | 120.5 Ų | 120.5 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | -170.9 | 131.6 | 152.4 | -13.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 32 | G | 32.5 | Very low | 37.1 | Very low | 65 Ų | 65 | 118.5 Ų | 118.5 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | cis | 114.1 | 120.6 | 18.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 33 | S | 31.4 | Very low | 36.8 | Very low | 133 Ų | 133 | 121.2 Ų | 121.2 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | trans | 105.1 | 127.9 | 157.5 | -158.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 34 | G | 30.3 | Very low | 36.2 | Very low | 79 Ų | 79 | 125.6 Ų | 125.6 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | -178.6 | 61.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 35 | H | 33.2 | Very low | 35.6 | Very low | 196 Ų | 196 | 126.2 Ų | 126.2 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | -87.3 | 128.6 | 173 | -126.3 | -151.6 | 0 | 0 | 0 | 109 | ||||
| 36 | A | 32.2 | Very low | 35.1 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | trans | -147.9 | 121 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 37 | S | 33.2 | Very low | 34 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -72.1 | 149.5 | 178.7 | 170.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 38 | S | 31.8 | Very low | 33.7 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | -176.7 | 133.4 | 129.2 | -73.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 39 | T | 31.3 | Very low | 33.1 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -133.2 | 179.5 | 166.8 | -16.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 40 | P | 48 | Very low | 32.9 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | cis | -132 | 174.7 | -32.3 | 23.2 | -0.2 | 0 | 0 | 0 | 114.2 | ||||
| 41 | G | 27.9 | Very low | 33 | Very low | 84 Ų | 84 | 132.6 Ų | 132.6 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | trans | 105.6 | 143.5 | 148.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 42 | G | 30.9 | Very low | 33.1 | Very low | 73 Ų | 73 | 131.1 Ų | 131.1 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | cis | 159.5 | 132.5 | -5.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 43 | E | 32.1 | Very low | 33.4 | Very low | 191 Ų | 191 | 133.8 Ų | 133.8 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | 174.4 | 110.4 | 157.2 | 48.3 | -164.3 | 153.3 | 0 | 0 | 109.8 | ||||
| 44 | K | 35.2 | Very low | 34.1 | Very low | 185 Ų | 185 | 132.9 Ų | 132.9 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | 51.4 | 120 | 93.2 | -141.8 | -172.7 | 177.2 | -138 | 0 | 113.6 | |||||
| 45 | E | 29 | Very low | 34.8 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 69% | 0.687 | 81% | 0.808 | S | S | * | * | -177.5 | 144.9 | 66.2 | -169.8 | 147.3 | 128.1 | 0 | 0 | 113.2 | |||||
| 46 | T | 27.8 | Very low | 35.5 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 72% | 0.718 | 80% | 0.802 | S | S | * | * | trans | 4.5 | 143.8 | 165.5 | 58 | 0 | 0 | 0 | 0 | 128.7 | ||||
| 47 | S | 30.5 | Very low | 36.5 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | 77.7 | 113.2 | 132.4 | -80 | 0 | 0 | 0 | 0 | 123 | ||||
| 48 | A | 28.8 | Very low | 37.4 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | 170.9 | 129.1 | 103.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 49 | T | 35 | Very low | 38.7 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | 1 | 118.8 | 155.5 | -52.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 50 | Q | 34.2 | Very low | 40 | Very low | 191 Ų | 191 | 134.9 Ų | 134.9 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | -158 | 130.2 | 124.2 | -116.7 | -175.3 | -20.2 | 0 | 0 | 112.8 | S52 | Q50-S52 PolarHBondContact O-N 2.73Š| |||
| 51 | R | 43 | Very low | 40.7 | Very low | 251 Ų | 251 | 136.2 Ų | 136.2 | 95% | 0.947 | 79% | 0.787 | S | S | * | * | trans | -57.3 | 126 | 175.2 | -79.5 | 174.1 | 167.2 | 160.1 | -5.4 | 111.5 | ||||
| 52 | S | 37.3 | Very low | 42.6 | Very low | 98 Ų | 98 | 136.6 Ų | 136.6 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | -160.9 | 96.5 | 131.6 | -172.3 | 0 | 0 | 0 | 0 | 107.8 | Q50 V54 | Q50-S52 PolarHBondContact O-N 2.73Å; S52-V54 PolarHBondContact O-N 2.87Å | ||
| 53 | S | 37.9 | Very low | 44.1 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -71.3 | 84.8 | 167 | 47.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 54 | V | 46.8 | Very low | 46.1 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | -59.1 | 130 | 163.1 | -176.6 | 0 | 0 | 0 | 0 | 106 | S52 S56 | S52-V54 PolarHBondContact O-N 2.87Å; V54-S56 PolarHBondContact O-N 3.44Å; V54-S56 VanDerWaalsContact O-N 3.12Å | ||
| 55 | P | 45.3 | Very low | 48 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | trans | -56.9 | 126.9 | 178.3 | 23.7 | -31.4 | 0 | 0 | 0 | 107.7 | S57 | P55-S57 PolarHBondContact O-N 2.81Š| ||
| 56 | S | 47.4 | Very low | 50.7 | Low | 112 Ų | 112 | 129.8 Ų | 129.8 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -42.9 | 105.3 | 171.6 | 179.5 | 0 | 0 | 0 | 0 | 107.6 | V54 T58 | V54-S56 PolarHBondContact O-N 3.44Å; V54-S56 VanDerWaalsContact O-N 3.12Å; S56-T58 VanDerWaalsContact C-N 3.25Å; S56-T58 PolarHBondContact O-N 2.94Å | ||
| 57 | S | 52.4 | Low | 53.7 | Low | 96 Ų | 96 | 128.3 Ų | 128.3 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | trans | -64.6 | 100.3 | 171.1 | 39.2 | 0 | 0 | 0 | 0 | 104.2 | P55 E59 | P55-S57 PolarHBondContact O-N 2.81Å; S57-E59 VanDerWaalsContact C-N 3.28Å; S57-E59 PolarHBondContact O-N 3.42Å | ||
| 58 | T | 53 | Low | 56.7 | Low | 118 Ų | 118 | 127.1 Ų | 127.1 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | trans | -46.4 | 104 | 165 | -56.8 | 0 | 0 | 0 | 0 | 105.8 | S56 K60 | S56-T58 VanDerWaalsContact C-N 3.25Å; S56-T58 PolarHBondContact O-N 2.94Å; T58-K60 PolarHBondContact O-N 3.43Å | ||
| 59 | E | 58.1 | Low | 59.8 | Low | 161 Ų | 161 | 130.5 Ų | 130.5 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | -63.2 | 92.7 | 171.6 | -66.9 | -162.6 | 161.6 | 0 | 0 | 105 | S57 N61 | S57-E59 VanDerWaalsContact C-N 3.28Å; S57-E59 PolarHBondContact O-N 3.42Å; E59-N61 PolarHBondContact O-N 3.37Å | ||
| 60 | K | 59.7 | Low | 62.6 | Low | 188 Ų | 188 | 132.7 Ų | 132.7 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | trans | -61.1 | 98.2 | 162 | -65.9 | -176.7 | -178.3 | 179.4 | 0 | 103 | T58 A62 | T58-K60 PolarHBondContact O-N 3.43Å; K60-A62 PolarHBondContact O-N 3.28Å | ||
| 61 | N | 62.8 | Low | 65.6 | Low | 150 Ų | 150 | 133.6 Ų | 133.6 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | -55.9 | 90.8 | 165.5 | -86.2 | -82.5 | 0 | 0 | 0 | 105.6 | E59 L63 | E59-N61 PolarHBondContact O-N 3.37Å; N61-L63 VanDerWaalsContact C-N 3.26Å; N61-L63 PolarHBondContact O-N 3.03Å | ||
| 62 | A | 66.9 | Low | 68.1 | Low | 93 Ų | 93 | 126.8 Ų | 126.8 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | -71 | 93.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 105.2 | K60 S64 | K60-A62 PolarHBondContact O-N 3.28Å; A62-S64 VanDerWaalsContact C-N 3.35Å; A62-S64 PolarHBondContact O-N 3.16Å | ||
| 63 | L | 64 | Low | 70.9 | Confident | 156 Ų | 156 | 127.7 Ų | 127.7 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | trans | -60.6 | 102.1 | 170.9 | -171.7 | 85.8 | 0 | 0 | 0 | 106.8 | N61 T65 | N61-L63 VanDerWaalsContact C-N 3.26Å; N61-L63 PolarHBondContact O-N 3.03Å; L63-T65 PolarHBondContact O-N 2.99Å | ||
| 64 | S | 72.6 | Confident | 73.6 | Confident | 114 Ų | 114 | 126.7 Ų | 126.7 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | trans | -76.4 | 102.2 | 173.1 | -172.4 | 0 | 0 | 0 | 0 | 107.8 | A62 G66 | A62-S64 VanDerWaalsContact C-N 3.35Å; A62-S64 PolarHBondContact O-N 3.16Å; S64-G66 PolarHBondContact O-N 3.32Å; S64-G66 VanDerWaalsContact O-N 3.08Å | ||
| 65 | T | 75.6 | Confident | 75.9 | Confident | 118 Ų | 118 | 129 Ų | 129 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | trans | -73.4 | 97.3 | 168.9 | -53.9 | 0 | 0 | 0 | 0 | 107.8 | L63 | L63-T65 PolarHBondContact O-N 2.99Š| ||
| 66 | G | 86.6 | Confident | 78.2 | Confident | 65 Ų | 65 | 125.8 Ų | 125.8 | 67% | 0.67 | 70% | 0.702 | S | S | * | * | trans | -68.8 | 132.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S64 | S64-G66 PolarHBondContact O-N 3.32Å; S64-G66 VanDerWaalsContact O-N 3.08Å | ||
| 67 | V | 90.6 | Very high | 80.4 | Confident | 86 Ų | 86 | 126.2 Ų | 126.2 | 52% | 0.521 | 71% | 0.705 | S | S | . | * | trans | -98.5 | 140.5 | 168.5 | -64.2 | 0 | 0 | 0 | 0 | 109.2 | F69 L114 | V67-F69 HydrophobicContact CG2-CE2 3.95Å; V67-F69 HydrophobicContact CG2-CZ 4.22Å; V67-L114 HydrophobicContact CB-CD1 4.44Å; V67-L114 HydrophobicContact CG1-CD1 3.67Å | ||
| 68 | S | 91.8 | Very high | 82.2 | Confident | 93 Ų | 93 | 126.6 Ų | 126.6 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | trans | -117.6 | 144.2 | 176.1 | -64.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 69 | F | 94.3 | Very high | 84.2 | Confident | 170 Ų | 170 | 123 Ų | 123 | 75% | 0.746 | 68% | 0.676 | S | S | * | * | trans | -115.2 | 140.8 | 176.8 | -61.5 | -86.5 | 0 | 0 | 0 | 109.4 | V67 | V67-F69 HydrophobicContact CG2-CE2 3.95Å; V67-F69 HydrophobicContact CG2-CZ 4.22Å | ||
| 70 | F | 94.7 | Very high | 85.9 | Confident | 181 Ų | 181 | 123.8 Ų | 123.8 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | trans | -128.6 | 144.2 | 179.4 | -58.9 | -87 | 0 | 0 | 0 | 109 | ||||
| 71 | F | 96.1 | Very high | 87.7 | Confident | 210 Ų | 210 | 117.9 Ų | 117.9 | 92% | 0.921 | 65% | 0.654 | S | S | * | * | trans | -96.7 | 133 | 168.2 | -62.5 | -78.3 | 0 | 0 | 0 | 108.7 | ||||
| 72 | L | 95.9 | Very high | 89.3 | Confident | 109 Ų | 109 | 113.5 Ų | 113.5 | 57% | 0.571 | 63% | 0.631 | S | S | * | * | trans | -133.2 | 133.4 | 178.4 | -178.7 | 63.6 | 0 | 0 | 0 | 109.1 | F74 F104 | L72-F74 HydrophobicContact CD2-CD1 4.46Å; L72-F74 HydrophobicContact CG-CD1 4.28Å; L72-F104 HydrophobicContact CD2-CE1 3.48Å; L72-F104 VanDerWaalsContact CD2-CE1 3.48Å; L72-F104 HydrophobicContact CD2-CZ 3.48Å; L72-F104 VanDerWaalsContact CD2-CZ 3.48Å | ||
| 73 | S | 96.1 | Very high | 90.8 | Very high | 116 Ų | 116 | 113 Ų | 113 | 81% | 0.811 | 62% | 0.622 | S | S | * | * | trans | -135 | 136.5 | 175.8 | -54.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 74 | F | 95.9 | Very high | 92.4 | Very high | 101 Ų | 101 | 107.6 Ų | 107.6 | 44% | 0.443 | 60% | 0.597 | S | S | . | * | trans | -153.6 | 160.6 | 179.7 | 62.5 | -85.8 | 0 | 0 | 0 | 109.2 | L72 I76 I100 F104 | L72-F74 HydrophobicContact CD2-CD1 4.46Å; L72-F74 HydrophobicContact CG-CD1 4.28Å; F74-I76 HydrophobicContact CD2-CG1 4.07Å; F74-I76 HydrophobicContact CE2-CD1 3.98Å; F74-I76 HydrophobicContact CE2-CG1 3.61Å; F74-I100 HydrophobicContact CZ-CG2 4.47Å; F74-F104 HydrophobicContact CE1-CE2 4.09Å; F74-F104 HydrophobicContact CE1-CZ 4.04Å; F74-F104 HydrophobicContact CZ-CE2 4.18Å | ||
| 75 | H | 94.8 | Very high | 93.6 | Very high | 161 Ų | 161 | 102.3 Ų | 102.3 | 75% | 0.745 | 56% | 0.56 | S | S | * | * | trans | -99.1 | 143.1 | 175.4 | -68.8 | -83.5 | 0 | 0 | 0 | 111.1 | ||||
| 76 | I | 93.1 | Very high | 94.6 | Very high | 43 Ų | 43 | 103.1 Ų | 103.1 | 22% | 0.221 | 56% | 0.555 | C | S | . | * | trans | -107.2 | 92.8 | 172.2 | -56.1 | 174.4 | 0 | 0 | 0 | 107.6 | F74 N78 L79 I100 | F74-I76 HydrophobicContact CD2-CG1 4.07Å; F74-I76 HydrophobicContact CE2-CD1 3.98Å; F74-I76 HydrophobicContact CE2-CG1 3.61Å; I76-N78 VanDerWaalsContact C-N 3.3Å; I76-N78 VanDerWaalsContact CG2-OD1 3.25Å; I76-N78 WeakPolarHBondContact CG2-OD1 3.27Å; I76-N78 PolarHBondContact O-N 3.43Å; I76-L79 HydrophobicContact CB-CB 4.44Å; I76-L79 HydrophobicContact CG2-CB 3.7Å; I76-L79 PolarHBondContact O-N 3.21Å; I76-I100 HydrophobicContact CD1-CD1 3.77Å | ||
| 77 | S | 93.6 | Very high | 95.2 | Very high | 121 Ų | 121 | 103.5 Ų | 103.5 | 85% | 0.846 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -20.5 | -172.4 | -52.2 | 0 | 0 | 0 | 0 | 114.2 | L79 | S77-L79 VanDerWaalsContact C-N 3.25Å; S77-L79 PolarHBondContact O-N 2.92Å |
| 78 | N | 91.3 | Very high | 95.5 | Very high | 104 Ų | 104 | 102.7 Ų | 102.7 | 56% | 0.556 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 14.4 | 180 | 66.2 | -60.9 | 0 | 0 | 0 | 113.4 | I76 | I76-N78 VanDerWaalsContact C-N 3.3Å; I76-N78 VanDerWaalsContact CG2-OD1 3.25Å; I76-N78 WeakPolarHBondContact CG2-OD1 3.27Å; I76-N78 PolarHBondContact O-N 3.43Å |
| 79 | L | 93.9 | Very high | 95.8 | Very high | 44 Ų | 44 | 102.1 Ų | 102.1 | 23% | 0.23 | 53% | 0.534 | C | S | . | . | S | Bend | trans | -137.8 | 129.1 | -179.3 | -174.3 | 150.6 | 0 | 0 | 0 | 108.7 | I76 S77 L85 Y92 L96 | I76-L79 HydrophobicContact CB-CB 4.44Å; I76-L79 HydrophobicContact CG2-CB 3.7Å; I76-L79 PolarHBondContact O-N 3.21Å; S77-L79 VanDerWaalsContact C-N 3.25Å; S77-L79 PolarHBondContact O-N 2.92Å; L79-L85 HydrophobicContact CD2-CD1 3.54Å; L79-Y92 WeakPolarHBondContact CD1-OH 3.25Å; L79-L96 HydrophobicContact CD1-CD1 3.74Å; L79-L96 HydrophobicContact CD1-CD2 3.64Å; L79-L96 HydrophobicContact CD1-CG 4.35Å; L79-L96 HydrophobicContact CD2-CD2 4.35Å |
| 80 | Q | 94.6 | Very high | 96 | Very high | 177 Ų | 177 | 95.5 Ų | 95.5 | 83% | 0.827 | 51% | 0.508 | S | S | * | . | trans | -88 | 131.2 | 177.5 | -70 | -173.3 | 73.6 | 0 | 0 | 110.4 | N82 | Q80-N82 PolarHBondContact O-ND2 2.94Š| ||
| 81 | F | 96.8 | Very high | 96.2 | Very high | 64 Ų | 64 | 92.9 Ų | 92.9 | 28% | 0.281 | 50% | 0.502 | S | S | . | . | trans | -64.8 | 142.1 | 174.7 | -166 | -94.7 | 0 | 0 | 0 | 110.8 | L85 E86 F121 E123 | F81-L85 HydrophobicContact CD2-CB 4.07Å; F81-L85 HydrophobicContact CD2-CD1 4.08Å; F81-L85 HydrophobicContact CE2-CB 3.7Å; F81-L85 HydrophobicContact CZ-CB 4.16Å; F81-E86 HydrophobicContact CE1-CG 3.56Å; F81-E86 HydrophobicContact CZ-CG 3.65Å; F81-F121 HydrophobicContact CE2-CB 3.87Å; F81-E123 HydrophobicContact CD1-CB 4.03Å; F81-E123 HydrophobicContact CD1-CG 4.49Å; F81-E123 HydrophobicContact CE1-CB 4.43Å; F81-E123 HydrophobicContact CG-CB 4.26Å | ||
| 82 | N | 96.4 | Very high | 96.2 | Very high | 57 Ų | 57 | 86.5 Ų | 86.5 | 31% | 0.305 | 47% | 0.473 | S | S | . | . | trans | -154.5 | 170.1 | -179.3 | 66.2 | 64.8 | 0 | 0 | 0 | 111.2 | Q80 S84 L85 Y92 | Q80-N82 PolarHBondContact O-ND2 2.94Å; N82-S84 PolarHBondContact O-N 3.15Å; N82-S84 VanDerWaalsContact O-N 3.14Å; N82-S84 WeakPolarHBondContact OD1-CA 3.34Å; N82-S84 VanDerWaalsContact OD1-CB 3.26Å; N82-S84 WeakPolarHBondContact OD1-CB 3.48Å; N82-S84 PolarHBondContact OD1-N 3.37Å; N82-L85 WeakPolarHBondContact O-CB 3.37Å; N82-L85 PolarHBondContact O-N 3.29Å; N82-Y92 WeakPolarHBondContact ND2-CE1 3.49Å | ||
| 83 | S | 97.9 | Very high | 96.3 | Very high | 84 Ų | 84 | 82 Ų | 82 | 59% | 0.587 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -59.4 | -26.1 | -175.7 | 58.6 | 0 | 0 | 0 | 0 | 114.7 | L85 E86 | S83-L85 VanDerWaalsContact C-N 3.27Å; S83-L85 PolarHBondContact O-N 3.5Å; S83-E86 WeakPolarHBondContact O-CB 3.42Å; S83-E86 PolarHBondContact O-N 2.99Å |
| 84 | S | 97.9 | Very high | 96.4 | Very high | 42 Ų | 42 | 81.3 Ų | 81.3 | 29% | 0.294 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -68.4 | -30.6 | 174.5 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | N82 E86 D87 T90 | N82-S84 PolarHBondContact O-N 3.15Å; N82-S84 VanDerWaalsContact O-N 3.14Å; N82-S84 WeakPolarHBondContact OD1-CA 3.34Å; N82-S84 VanDerWaalsContact OD1-CB 3.26Å; N82-S84 WeakPolarHBondContact OD1-CB 3.48Å; N82-S84 PolarHBondContact OD1-N 3.37Å; S84-E86 PolarHBondContact O-N 3.04Å; S84-D87 PolarHBondContact O-N 3.47Å; S84-D87 VanDerWaalsContact O-O 3.07Å; S84-T90 PolarHBondContact O-OG1 3.39Å |
| 85 | L | 97.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 80.6 Ų | 80.6 | 1% | 0.01 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -77.9 | -7.7 | 175.7 | -59.8 | 176.6 | 0 | 0 | 0 | 113.4 | L79 F81 N82 S83 Y92 Y93 L96 F121 | L79-L85 HydrophobicContact CD2-CD1 3.54Å; F81-L85 HydrophobicContact CD2-CB 4.07Å; F81-L85 HydrophobicContact CD2-CD1 4.08Å; F81-L85 HydrophobicContact CE2-CB 3.7Å; F81-L85 HydrophobicContact CZ-CB 4.16Å; N82-L85 WeakPolarHBondContact O-CB 3.37Å; N82-L85 PolarHBondContact O-N 3.29Å; S83-L85 VanDerWaalsContact C-N 3.27Å; S83-L85 PolarHBondContact O-N 3.5Å; L85-Y92 HydrophobicContact CD1-CE1 4.1Å; L85-Y92 HydrophobicContact CD2-CD1 3.62Å; L85-Y92 HydrophobicContact CD2-CE1 3.6Å; L85-Y92 HydrophobicContact CG-CD1 4Å; L85-Y92 HydrophobicContact CG-CE1 3.82Å; L85-Y93 VanDerWaalsContact O-CD2 3.31Å; L85-Y93 WeakPolarHBondContact O-CD2 3.44Å; L85-Y93 VanDerWaalsContact O-CE2 3.24Å; L85-Y93 WeakPolarHBondContact O-CE2 3.44Å; L85-L96 HydrophobicContact CD1-CD2 4.48Å; L85-L96 HydrophobicContact CD2-CD2 3.74Å; L85-F121 HydrophobicContact CB-CB 4.18Å; L85-F121 HydrophobicContact CD2-CD2 4.08Å; L85-F121 HydrophobicContact CD2-CE2 4.43Å |
| 86 | E | 97.6 | Very high | 96.6 | Very high | 135 Ų | 135 | 74 Ų | 74 | 63% | 0.631 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -82.7 | -25.5 | 171.4 | -60.7 | 176.3 | 158 | 0 | 0 | 112 | F81 S83 S84 | F81-E86 HydrophobicContact CE1-CG 3.56Å; F81-E86 HydrophobicContact CZ-CG 3.65Å; S83-E86 WeakPolarHBondContact O-CB 3.42Å; S83-E86 PolarHBondContact O-N 2.99Å; S84-E86 PolarHBondContact O-N 3.04Å |
| 87 | D | 97.9 | Very high | 96.8 | Very high | 73 Ų | 73 | 74.9 Ų | 74.9 | 39% | 0.39 | 40% | 0.404 | S | S | . | . | trans | -114.5 | 109.2 | -175.2 | -177.9 | -3.5 | 0 | 0 | 0 | 111.8 | S84 S89 T90 Y93 | S84-D87 PolarHBondContact O-N 3.47Å; S84-D87 VanDerWaalsContact O-O 3.07Å; D87-S89 PolarHBondContact O-N 3.03Å; D87-S89 VanDerWaalsContact OD1-CB 3.26Å; D87-S89 WeakPolarHBondContact OD1-CB 3.25Å; D87-S89 PolarHBondContact OD1-N 3.47Å; D87-S89 PolarHBondContact OD1-OG 3.44Å; D87-S89 PolarHBondContact OD2-OG 2.89Å; D87-T90 HydrophobicContact CB-CG2 3.94Å; D87-T90 WeakPolarHBondContact O-CG2 3.41Å; D87-T90 PolarHBondContact O-N 3.4Å; D87-T90 VanDerWaalsContact O-N 3.1Å; D87-T90 PolarHBondContact O-OG1 2.99Å; D87-T90 VanDerWaalsContact O-OG1 3.14Å; D87-Y93 WeakPolarHBondContact O-CB 3.34Å | ||
| 88 | P | 97.6 | Very high | 97 | Very high | 70 Ų | 70 | 74.8 Ų | 74.8 | 46% | 0.455 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -14.2 | 177.8 | -22.3 | 33.2 | 0 | 0 | 0 | 115.4 | T90 Y93 Q94 | P88-T90 VanDerWaalsContact C-N 3.29Å; P88-Y93 HydrophobicContact CB-CD1 4.11Å; P88-Y93 HydrophobicContact CB-CE1 3.94Å; P88-Y93 HydrophobicContact CB-CE2 4.35Å; P88-Y93 HydrophobicContact CB-CG 4.44Å; P88-Y93 HydrophobicContact CG-CD2 4.49Å; P88-Y93 HydrophobicContact CG-CE1 4.3Å; P88-Y93 HydrophobicContact CG-CE2 4.01Å; P88-Q94 WeakPolarHBondContact O-CG 3.49Å; P88-Q94 PolarHBondContact O-NE2 2.93Å; P88-Q94 VanDerWaalsContact O-NE2 3.14Å |
| 89 | S | 97.8 | Very high | 97.2 | Very high | 80 Ų | 80 | 70.3 Ų | 70.3 | 56% | 0.559 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -12.9 | 177.2 | 76.7 | 0 | 0 | 0 | 0 | 113.3 | D87 | D87-S89 PolarHBondContact O-N 3.03Å; D87-S89 VanDerWaalsContact OD1-CB 3.26Å; D87-S89 WeakPolarHBondContact OD1-CB 3.25Å; D87-S89 PolarHBondContact OD1-N 3.47Å; D87-S89 PolarHBondContact OD1-OG 3.44Å; D87-S89 PolarHBondContact OD2-OG 2.89Å |
| 90 | T | 98.4 | Very high | 97.2 | Very high | 32 Ų | 32 | 68.6 Ų | 68.6 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -76.4 | 145.2 | 179.5 | 72.6 | 0 | 0 | 0 | 0 | 112.2 | S84 D87 P88 Y92 Y93 Q94 | S84-T90 PolarHBondContact O-OG1 3.39Å; D87-T90 HydrophobicContact CB-CG2 3.94Å; D87-T90 WeakPolarHBondContact O-CG2 3.41Å; D87-T90 PolarHBondContact O-N 3.4Å; D87-T90 VanDerWaalsContact O-N 3.1Å; D87-T90 PolarHBondContact O-OG1 2.99Å; D87-T90 VanDerWaalsContact O-OG1 3.14Å; P88-T90 VanDerWaalsContact C-N 3.29Å; T90-Y92 PolarHBondContact O-N 3.36Å; T90-Y93 PolarHBondContact O-N 3.07Å; T90-Y93 WeakPolarHBondContact OG1-CB 3.31Å; T90-Y93 PolarHBondContact OG1-N 3.33Å; T90-Q94 WeakPolarHBondContact O-CG 3.42Å; T90-Q94 PolarHBondContact O-N 3.48Å |
| 91 | D | 98.1 | Very high | 97.2 | Very high | 125 Ų | 125 | 61.6 Ų | 61.6 | 67% | 0.668 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -56.5 | -41.1 | 175.9 | -63.3 | -21.7 | 0 | 0 | 0 | 111.2 | Y93 Q94 E95 | D91-Y93 PolarHBondContact O-N 2.87Å; D91-Q94 PolarHBondContact O-N 2.75Å; D91-E95 WeakPolarHBondContact O-CB 3.35Å; D91-E95 WeakPolarHBondContact O-CG 3.46Å; D91-E95 PolarHBondContact O-N 3.34Å |
| 92 | Y | 97.8 | Very high | 97 | Very high | 77 Ų | 77 | 62.5 Ų | 62.5 | 30% | 0.302 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | -178.7 | -173.9 | -120.9 | 0 | 0 | 0 | 112.9 | L79 N82 L85 T90 L96 | L79-Y92 WeakPolarHBondContact CD1-OH 3.25Å; N82-Y92 WeakPolarHBondContact ND2-CE1 3.49Å; L85-Y92 HydrophobicContact CD1-CE1 4.1Å; L85-Y92 HydrophobicContact CD2-CD1 3.62Å; L85-Y92 HydrophobicContact CD2-CE1 3.6Å; L85-Y92 HydrophobicContact CG-CD1 4Å; L85-Y92 HydrophobicContact CG-CE1 3.82Å; T90-Y92 PolarHBondContact O-N 3.36Å; Y92-L96 WeakPolarHBondContact O-CB 3.04Å; Y92-L96 PolarHBondContact O-N 3.22Å; Y92-L96 VanDerWaalsContact O-N 3.1Å |
| 93 | Y | 98.3 | Very high | 96.9 | Very high | 13 Ų | 13 | 60.9 Ų | 60.9 | 5% | 0.051 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.5 | -48.2 | 174.2 | -171 | -69.2 | 0 | 0 | 0 | 110.8 | L85 D87 P88 T90 D91 L96 Q97 I119 K120 F121 | L85-Y93 VanDerWaalsContact O-CD2 3.31Å; L85-Y93 WeakPolarHBondContact O-CD2 3.44Å; L85-Y93 VanDerWaalsContact O-CE2 3.24Å; L85-Y93 WeakPolarHBondContact O-CE2 3.44Å; D87-Y93 WeakPolarHBondContact O-CB 3.34Å; P88-Y93 HydrophobicContact CB-CD1 4.11Å; P88-Y93 HydrophobicContact CB-CE1 3.94Å; P88-Y93 HydrophobicContact CB-CE2 4.35Å; P88-Y93 HydrophobicContact CB-CG 4.44Å; P88-Y93 HydrophobicContact CG-CD2 4.49Å; P88-Y93 HydrophobicContact CG-CE1 4.3Å; P88-Y93 HydrophobicContact CG-CE2 4.01Å; T90-Y93 PolarHBondContact O-N 3.07Å; T90-Y93 WeakPolarHBondContact OG1-CB 3.31Å; T90-Y93 PolarHBondContact OG1-N 3.33Å; D91-Y93 PolarHBondContact O-N 2.87Å; Y93-L96 PolarHBondContact O-N 3.26Å; Y93-Q97 HydrophobicContact CD1-CB 4.49Å; Y93-Q97 VanDerWaalsContact O-CB 3.28Å; Y93-Q97 WeakPolarHBondContact O-CB 3.3Å; Y93-Q97 PolarHBondContact O-N 3.4Å; Y93-I119 PolarHBondContact OH-O 3.14Å; Y93-K120 WeakPolarHBondContact OH-CA 3.48Å; Y93-F121 HydrophobicContact CD1-CD2 4.35Å; Y93-F121 HydrophobicContact CD1-CE2 4.02Å; Y93-F121 AromaticContact CD2-CD2 3.71Å; Y93-F121 HydrophobicContact CD2-CD2 3.71Å; Y93-F121 HydrophobicContact CD2-CE2 4.16Å; Y93-F121 HydrophobicContact CE1-CD2 4.11Å; Y93-F121 AromaticContact CE1-CE2 3.91Å; Y93-F121 HydrophobicContact CE1-CE2 3.91Å; Y93-F121 AromaticContact CE2-CD2 3.44Å; Y93-F121 HydrophobicContact CE2-CD2 3.44Å; Y93-F121 VanDerWaalsContact CE2-CD2 3.44Å; Y93-F121 HydrophobicContact CE2-CE2 4.07Å; Y93-F121 HydrophobicContact CE2-CG 4.45Å; Y93-F121 HydrophobicContact CG-CD2 4.13Å; Y93-F121 HydrophobicContact CG-CE2 4.11Å; Y93-F121 AromaticContact CZ-CD2 3.64Å; Y93-F121 AromaticContact CZ-CE2 3.91Å |
| 94 | Q | 97.9 | Very high | 96.6 | Very high | 102 Ų | 102 | 57.6 Ų | 57.6 | 48% | 0.477 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.4 | -40.2 | -176 | -67 | 177.9 | 12.6 | 0 | 0 | 112.2 | P88 T90 D91 Q97 R98 | P88-Q94 WeakPolarHBondContact O-CG 3.49Å; P88-Q94 PolarHBondContact O-NE2 2.93Å; P88-Q94 VanDerWaalsContact O-NE2 3.14Å; T90-Q94 WeakPolarHBondContact O-CG 3.42Å; T90-Q94 PolarHBondContact O-N 3.48Å; D91-Q94 PolarHBondContact O-N 2.75Å; Q94-Q97 PolarHBondContact O-N 2.98Å; Q94-R98 WeakPolarHBondContact O-CB 3.39Å; Q94-R98 PolarHBondContact O-N 2.95Å |
| 95 | E | 97.6 | Very high | 96.2 | Very high | 87 Ų | 87 | 60.3 Ų | 60.3 | 41% | 0.407 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.8 | -50.3 | 174.5 | -75.5 | -172.6 | 172.1 | 0 | 0 | 111.4 | D91 Q97 R98 D99 | D91-E95 WeakPolarHBondContact O-CB 3.35Å; D91-E95 WeakPolarHBondContact O-CG 3.46Å; D91-E95 PolarHBondContact O-N 3.34Å; E95-Q97 VanDerWaalsContact C-N 3.28Å; E95-Q97 PolarHBondContact O-N 2.9Å; E95-R98 WeakPolarHBondContact O-CB 3.44Å; E95-R98 PolarHBondContact O-N 3.31Å; E95-R98 VanDerWaalsContact O-N 3.16Å; E95-D99 VanDerWaalsContact O-CG 3.26Å; E95-D99 PolarHBondContact O-N 3.06Å |
| 96 | L | 97.2 | Very high | 95.8 | Very high | 21 Ų | 21 | 64 Ų | 64 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 179.3 | -176 | 61.7 | 0 | 0 | 0 | 111.7 | L79 L85 Y92 Y93 D99 I100 F121 | L79-L96 HydrophobicContact CD1-CD1 3.74Å; L79-L96 HydrophobicContact CD1-CD2 3.64Å; L79-L96 HydrophobicContact CD1-CG 4.35Å; L79-L96 HydrophobicContact CD2-CD2 4.35Å; L85-L96 HydrophobicContact CD1-CD2 4.48Å; L85-L96 HydrophobicContact CD2-CD2 3.74Å; Y92-L96 WeakPolarHBondContact O-CB 3.04Å; Y92-L96 PolarHBondContact O-N 3.22Å; Y92-L96 VanDerWaalsContact O-N 3.1Å; Y93-L96 PolarHBondContact O-N 3.26Å; L96-D99 PolarHBondContact O-N 3.45Å; L96-I100 HydrophobicContact CD1-CD1 4.18Å; L96-I100 HydrophobicContact CD1-CG1 4.4Å; L96-I100 HydrophobicContact CG-CD1 3.99Å; L96-I100 WeakPolarHBondContact O-CB 3.49Å; L96-I100 VanDerWaalsContact O-CG1 3.31Å; L96-I100 WeakPolarHBondContact O-CG1 3.28Å; L96-I100 PolarHBondContact O-N 3.34Å; L96-F121 HydrophobicContact CB-CE2 4.43Å; L96-F121 HydrophobicContact CB-CZ 4.13Å; L96-F121 HydrophobicContact CD2-CD1 4.23Å; L96-F121 HydrophobicContact CD2-CE1 3.7Å; L96-F121 HydrophobicContact CD2-CE2 4.08Å; L96-F121 HydrophobicContact CD2-CZ 3.63Å; L96-F121 HydrophobicContact CG-CE1 4.04Å; L96-F121 HydrophobicContact CG-CE2 4.35Å; L96-F121 HydrophobicContact CG-CZ 3.68Å |
| 97 | Q | 97 | Very high | 95.4 | Very high | 63 Ų | 63 | 61.8 Ų | 61.8 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 176.1 | -168.8 | -177.7 | -23.6 | 0 | 0 | 112 | Y93 Q94 E95 S101 I119 | Y93-Q97 HydrophobicContact CD1-CB 4.49Å; Y93-Q97 VanDerWaalsContact O-CB 3.28Å; Y93-Q97 WeakPolarHBondContact O-CB 3.3Å; Y93-Q97 PolarHBondContact O-N 3.4Å; Q94-Q97 PolarHBondContact O-N 2.98Å; E95-Q97 VanDerWaalsContact C-N 3.28Å; E95-Q97 PolarHBondContact O-N 2.9Å; Q97-S101 WeakPolarHBondContact O-CB 3.47Å; Q97-S101 PolarHBondContact O-N 3.41Å; Q97-S101 PolarHBondContact O-OG 3.16Å; Q97-I119 HydrophobicContact CG-CB 3.83Å; Q97-I119 HydrophobicContact CG-CD1 3.58Å; Q97-I119 HydrophobicContact CG-CG1 4.27Å; Q97-I119 HydrophobicContact CG-CG2 4Å |
| 98 | R | 96.6 | Very high | 95.1 | Very high | 118 Ų | 118 | 63.7 Ų | 63.7 | 45% | 0.445 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.7 | -49.4 | 174.3 | -178.6 | -170.2 | 65 | -159.5 | -7.6 | 110.7 | Q94 E95 I100 S101 E102 | Q94-R98 WeakPolarHBondContact O-CB 3.39Å; Q94-R98 PolarHBondContact O-N 2.95Å; E95-R98 WeakPolarHBondContact O-CB 3.44Å; E95-R98 PolarHBondContact O-N 3.31Å; E95-R98 VanDerWaalsContact O-N 3.16Å; R98-I100 VanDerWaalsContact C-N 3.34Å; R98-I100 PolarHBondContact O-N 2.91Å; R98-S101 WeakPolarHBondContact O-CA 3.47Å; R98-S101 WeakPolarHBondContact O-CB 3.49Å; R98-S101 PolarHBondContact O-N 3.24Å; R98-E102 PolarHBondContact O-N 3.36Å |
| 99 | D | 95.8 | Very high | 94.4 | Very high | 11 Ų | 11 | 67.6 Ų | 67.6 | 6% | 0.059 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.2 | -40.3 | -175.5 | -68.2 | 3.3 | 0 | 0 | 0 | 111.4 | L13 E95 L96 E102 M103 | L13-D99 HydrophobicContact CD2-CB 4.32Å; E95-D99 VanDerWaalsContact O-CG 3.26Å; E95-D99 PolarHBondContact O-N 3.06Å; L96-D99 PolarHBondContact O-N 3.45Å; D99-E102 PolarHBondContact O-N 3.24Å; D99-M103 WeakPolarHBondContact O-CB 3.31Å; D99-M103 PolarHBondContact O-N 3.39Å |
| 100 | I | 94.8 | Very high | 93 | Very high | 7 Ų | 7 | 72.4 Ų | 72.4 | 4% | 0.036 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 171.9 | -69.2 | 168.9 | 0 | 0 | 0 | 111 | F74 I76 L96 R98 E102 M103 F104 L116 F121 | F74-I100 HydrophobicContact CZ-CG2 4.47Å; I76-I100 HydrophobicContact CD1-CD1 3.77Å; L96-I100 HydrophobicContact CD1-CD1 4.18Å; L96-I100 HydrophobicContact CD1-CG1 4.4Å; L96-I100 HydrophobicContact CG-CD1 3.99Å; L96-I100 WeakPolarHBondContact O-CB 3.49Å; L96-I100 VanDerWaalsContact O-CG1 3.31Å; L96-I100 WeakPolarHBondContact O-CG1 3.28Å; L96-I100 PolarHBondContact O-N 3.34Å; R98-I100 VanDerWaalsContact C-N 3.34Å; R98-I100 PolarHBondContact O-N 2.91Å; I100-E102 PolarHBondContact O-N 3.47Å; I100-M103 WeakPolarHBondContact O-CB 3.48Å; I100-M103 PolarHBondContact O-N 3.14Å; I100-F104 HydrophobicContact CG2-CD2 3.91Å; I100-F104 HydrophobicContact CG2-CE2 3.98Å; I100-F104 WeakPolarHBondContact O-CD2 3.24Å; I100-F104 PolarHBondContact O-N 2.94Å; I100-L116 HydrophobicContact CG2-CD1 4.25Å; I100-F121 HydrophobicContact CD1-CE1 3.57Å; I100-F121 HydrophobicContact CD1-CZ 3.89Å |
| 101 | S | 94.4 | Very high | 91.9 | Very high | 31 Ų | 31 | 74.8 Ų | 74.8 | 22% | 0.217 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 177.8 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | Q97 R98 M103 F104 L105 I119 | Q97-S101 WeakPolarHBondContact O-CB 3.47Å; Q97-S101 PolarHBondContact O-N 3.41Å; Q97-S101 PolarHBondContact O-OG 3.16Å; R98-S101 WeakPolarHBondContact O-CA 3.47Å; R98-S101 WeakPolarHBondContact O-CB 3.49Å; R98-S101 PolarHBondContact O-N 3.24Å; S101-M103 VanDerWaalsContact C-N 3.33Å; S101-M103 PolarHBondContact O-N 2.8Å; S101-F104 PolarHBondContact O-N 3.24Å; S101-L105 WeakPolarHBondContact O-CD1 3.44Å; S101-L105 PolarHBondContact O-N 3.45Å; S101-I119 WeakPolarHBondContact OG-CD1 3.47Å |
| 102 | E | 93.5 | Very high | 91.4 | Very high | 83 Ų | 83 | 72.2 Ų | 72.2 | 39% | 0.388 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 176.3 | -70.1 | -175.9 | -178.4 | 0 | 0 | 112 | F10 R98 D99 I100 F104 L105 Q106 | F10-E102 HydrophobicContact CE2-CB 4.05Å; F10-E102 WeakPolarHBondContact CE2-OE2 3.42Å; R98-E102 PolarHBondContact O-N 3.36Å; D99-E102 PolarHBondContact O-N 3.24Å; I100-E102 PolarHBondContact O-N 3.47Å; E102-F104 VanDerWaalsContact C-N 3.35Å; E102-F104 PolarHBondContact O-N 3.25Å; E102-L105 PolarHBondContact O-N 3.1Å; E102-Q106 PolarHBondContact O-N 3.17Å |
| 103 | M | 93.1 | Very high | 91.1 | Very high | 22 Ų | 22 | 71.5 Ų | 71.5 | 11% | 0.108 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 174.6 | -177.1 | -172.5 | 74.1 | 0 | 0 | 111.8 | L13 V17 D99 I100 S101 Q106 I107 | L13-M103 HydrophobicContact CD1-SD 3.71Å; L13-M103 HydrophobicContact CD2-CB 4Å; L13-M103 HydrophobicContact CD2-CG 4.37Å; L13-M103 HydrophobicContact CD2-SD 3.85Å; L13-M103 HydrophobicContact CG-CG 4.46Å; L13-M103 HydrophobicContact CG-SD 3.66Å; V17-M103 HydrophobicContact CG2-CG 3.93Å; V17-M103 HydrophobicContact CG2-SD 3.47Å; V17-M103 WeakPolarHBondContact CG2-SD 3.29Å; D99-M103 WeakPolarHBondContact O-CB 3.31Å; D99-M103 PolarHBondContact O-N 3.39Å; I100-M103 WeakPolarHBondContact O-CB 3.48Å; I100-M103 PolarHBondContact O-N 3.14Å; S101-M103 VanDerWaalsContact C-N 3.33Å; S101-M103 PolarHBondContact O-N 2.8Å; M103-Q106 WeakPolarHBondContact O-CB 3.26Å; M103-Q106 PolarHBondContact O-N 3.23Å; M103-Q106 VanDerWaalsContact O-N 3.16Å; M103-I107 HydrophobicContact CE-CD1 4.47Å; M103-I107 HydrophobicContact CG-CD1 4.1Å; M103-I107 WeakPolarHBondContact O-CG1 3.44Å; M103-I107 PolarHBondContact O-N 2.87Å |
| 104 | F | 92.6 | Very high | 90.8 | Very high | 16 Ų | 16 | 77.9 Ų | 77.9 | 7% | 0.07 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 178.6 | -90.7 | -104 | 0 | 0 | 0 | 112.8 | L72 F74 I100 S101 E102 Q106 I107 Y108 F113 L116 | L72-F104 HydrophobicContact CD2-CE1 3.48Å; L72-F104 VanDerWaalsContact CD2-CE1 3.48Å; L72-F104 HydrophobicContact CD2-CZ 3.48Å; L72-F104 VanDerWaalsContact CD2-CZ 3.48Å; F74-F104 HydrophobicContact CE1-CE2 4.09Å; F74-F104 HydrophobicContact CE1-CZ 4.04Å; F74-F104 HydrophobicContact CZ-CE2 4.18Å; I100-F104 HydrophobicContact CG2-CD2 3.91Å; I100-F104 HydrophobicContact CG2-CE2 3.98Å; I100-F104 WeakPolarHBondContact O-CD2 3.24Å; I100-F104 PolarHBondContact O-N 2.94Å; S101-F104 PolarHBondContact O-N 3.24Å; E102-F104 VanDerWaalsContact C-N 3.35Å; E102-F104 PolarHBondContact O-N 3.25Å; F104-Q106 PolarHBondContact O-N 3.4Å; F104-I107 PolarHBondContact O-N 2.94Å; F104-I107 VanDerWaalsContact O-N 3.14Å; F104-Y108 AromaticContact CD1-CD2 3.98Å; F104-Y108 HydrophobicContact CD1-CD2 3.98Å; F104-Y108 AromaticContact CD1-CE2 3.53Å; F104-Y108 HydrophobicContact CD1-CE2 3.53Å; F104-Y108 AromaticContact CE1-CE2 3.91Å; F104-Y108 HydrophobicContact CE1-CE2 3.91Å; F104-Y108 WeakPolarHBondContact O-CD2 3.38Å; F104-Y108 PolarHBondContact O-N 2.85Å; F104-F113 HydrophobicContact CB-CE1 4.48Å; F104-F113 HydrophobicContact CB-CZ 4.2Å; F104-L116 HydrophobicContact CB-CD1 3.75Å; F104-L116 HydrophobicContact CB-CD2 4.24Å; F104-L116 HydrophobicContact CB-CG 4.06Å; F104-L116 HydrophobicContact CD1-CD1 4.26Å; F104-L116 HydrophobicContact CD1-CD2 3.78Å; F104-L116 HydrophobicContact CD1-CG 4.46Å; F104-L116 HydrophobicContact CD2-CD1 3.84Å; F104-L116 HydrophobicContact CE1-CD2 4.37Å; F104-L116 HydrophobicContact CG-CD1 3.69Å; F104-L116 HydrophobicContact CG-CD2 4.03Å; F104-L116 HydrophobicContact CG-CG 4.22Å |
| 105 | L | 89.8 | Confident | 90.4 | Very high | 99 Ų | 99 | 74.8 Ų | 74.8 | 52% | 0.518 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.8 | -37.7 | 171.5 | -91.1 | 78.6 | 0 | 0 | 0 | 111.2 | S101 E102 F113 | S101-L105 WeakPolarHBondContact O-CD1 3.44Å; S101-L105 PolarHBondContact O-N 3.45Å; E102-L105 PolarHBondContact O-N 3.1Å; L105-F113 HydrophobicContact CD1-CE1 3.99Å; L105-F113 HydrophobicContact CG-CE1 4.33Å |
| 106 | Q | 88.9 | Confident | 90.3 | Very high | 79 Ų | 79 | 73.7 Ų | 73.7 | 37% | 0.369 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.8 | -32.9 | 177.6 | -179.4 | 163.3 | 21.5 | 0 | 0 | 113.5 | E102 M103 F104 K109 | E102-Q106 PolarHBondContact O-N 3.17Å; M103-Q106 WeakPolarHBondContact O-CB 3.26Å; M103-Q106 PolarHBondContact O-N 3.23Å; M103-Q106 VanDerWaalsContact O-N 3.16Å; F104-Q106 PolarHBondContact O-N 3.4Å; Q106-K109 WeakPolarHBondContact O-CD 3.37Å; Q106-K109 WeakPolarHBondContact O-CE 3.44Å; Q106-K109 VanDerWaalsContact O-CG 3.29Å; Q106-K109 WeakPolarHBondContact O-CG 3.49Å |
| 107 | I | 89.6 | Confident | 90.1 | Very high | 89 Ų | 89 | 76.5 Ų | 76.5 | 46% | 0.456 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -71.5 | -46 | 176.4 | -68.4 | 164.5 | 0 | 0 | 0 | 110.4 | M103 F104 K109 | M103-I107 HydrophobicContact CE-CD1 4.47Å; M103-I107 HydrophobicContact CG-CD1 4.1Å; M103-I107 WeakPolarHBondContact O-CG1 3.44Å; M103-I107 PolarHBondContact O-N 2.87Å; F104-I107 PolarHBondContact O-N 2.94Å; F104-I107 VanDerWaalsContact O-N 3.14Å; I107-K109 VanDerWaalsContact C-N 3.34Å; I107-K109 PolarHBondContact O-N 2.74Å |
| 108 | Y | 90.1 | Very high | 90 | Very high | 113 Ų | 113 | 80.9 Ų | 80.9 | 44% | 0.443 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 40.9 | -174.5 | -64.7 | -82 | 0 | 0 | 0 | 113.7 | F104 Q110 F113 | F104-Y108 AromaticContact CD1-CD2 3.98Å; F104-Y108 HydrophobicContact CD1-CD2 3.98Å; F104-Y108 AromaticContact CD1-CE2 3.53Å; F104-Y108 HydrophobicContact CD1-CE2 3.53Å; F104-Y108 AromaticContact CE1-CE2 3.91Å; F104-Y108 HydrophobicContact CE1-CE2 3.91Å; F104-Y108 WeakPolarHBondContact O-CD2 3.38Å; F104-Y108 PolarHBondContact O-N 2.85Å; Y108-Q110 PolarHBondContact O-N 3.1Å; Y108-Q110 VanDerWaalsContact O-N 3.12Å; Y108-F113 VanDerWaalsContact CB-CB 3.49Å; Y108-F113 HydrophobicContact CD2-CD2 4.23Å; Y108-F113 HydrophobicContact CD2-CE2 4.31Å; Y108-F113 HydrophobicContact CD2-CG 4.42Å; Y108-F113 HydrophobicContact CG-CB 4.25Å; Y108-F113 HydrophobicContact CG-CD2 4.13Å; Y108-F113 HydrophobicContact CG-CG 4.08Å |
| 109 | K | 83.8 | Confident | 90 | Very high | 152 Ų | 152 | 76.7 Ų | 76.7 | 66% | 0.661 | 43% | 0.431 | S | S | * | . | trans | -58.5 | -24.2 | 178.3 | -77.9 | 175.4 | -178.1 | -176.7 | 0 | 114.7 | Q106 I107 G111 | Q106-K109 WeakPolarHBondContact O-CD 3.37Å; Q106-K109 WeakPolarHBondContact O-CE 3.44Å; Q106-K109 VanDerWaalsContact O-CG 3.29Å; Q106-K109 WeakPolarHBondContact O-CG 3.49Å; I107-K109 VanDerWaalsContact C-N 3.34Å; I107-K109 PolarHBondContact O-N 2.74Å; K109-G111 PolarHBondContact O-N 3.14Å | ||
| 110 | Q | 68.6 | Low | 90.1 | Very high | 181 Ų | 181 | 84.4 Ų | 84.4 | 85% | 0.846 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -77.7 | 112.3 | 178.3 | -60.6 | -171.4 | 89.5 | 0 | 0 | 107.3 | Y108 | Y108-Q110 PolarHBondContact O-N 3.1Å; Y108-Q110 VanDerWaalsContact O-N 3.12Å |
| 111 | G | 75.1 | Confident | 90.2 | Very high | 82 Ų | 82 | 85.5 Ų | 85.5 | 85% | 0.845 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -46.5 | 152.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | K109 | K109-G111 PolarHBondContact O-N 3.14Š|
| 112 | G | 86.8 | Confident | 90.3 | Very high | 71 Ų | 71 | 88.3 Ų | 88.3 | 73% | 0.732 | 49% | 0.488 | S | S | * | . | trans | 119 | -19.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 113 | F | 91.5 | Very high | 90.3 | Very high | 62 Ų | 62 | 94 Ų | 94 | 27% | 0.272 | 52% | 0.515 | S | S | . | . | trans | -76.2 | 123.5 | 167.5 | -179 | -110.5 | 0 | 0 | 0 | 110.5 | F104 L105 Y108 G115 L116 | F104-F113 HydrophobicContact CB-CE1 4.48Å; F104-F113 HydrophobicContact CB-CZ 4.2Å; L105-F113 HydrophobicContact CD1-CE1 3.99Å; L105-F113 HydrophobicContact CG-CE1 4.33Å; Y108-F113 VanDerWaalsContact CB-CB 3.49Å; Y108-F113 HydrophobicContact CD2-CD2 4.23Å; Y108-F113 HydrophobicContact CD2-CE2 4.31Å; Y108-F113 HydrophobicContact CD2-CG 4.42Å; Y108-F113 HydrophobicContact CG-CB 4.25Å; Y108-F113 HydrophobicContact CG-CD2 4.13Å; Y108-F113 HydrophobicContact CG-CG 4.08Å; F113-G115 VanDerWaalsContact CE2-O 3.25Å; F113-G115 WeakPolarHBondContact CE2-O 3.47Å; F113-G115 WeakPolarHBondContact CZ-O 3.26Å; F113-L116 HydrophobicContact CE2-CD2 4Å; F113-L116 HydrophobicContact CZ-CD2 3.69Å; F113-L116 HydrophobicContact CZ-CG 3.92Å | ||
| 114 | L | 91.3 | Very high | 90.2 | Very high | 146 Ų | 146 | 97.7 Ų | 97.7 | 76% | 0.764 | 54% | 0.535 | S | S | * | . | trans | -99.9 | -17.7 | -176.1 | -57.2 | -177.5 | 0 | 0 | 0 | 113 | V67 | V67-L114 HydrophobicContact CB-CD1 4.44Å; V67-L114 HydrophobicContact CG1-CD1 3.67Å | ||
| 115 | G | 91.4 | Very high | 90 | Very high | 38 Ų | 38 | 101.9 Ų | 101.9 | 39% | 0.392 | 56% | 0.56 | S | S | . | * | trans | 140.9 | -178.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F113 | F113-G115 VanDerWaalsContact CE2-O 3.25Å; F113-G115 WeakPolarHBondContact CE2-O 3.47Å; F113-G115 WeakPolarHBondContact CZ-O 3.26Å | ||
| 116 | L | 94 | Very high | 90 | Very high | 63 Ų | 63 | 102.1 Ų | 102.1 | 33% | 0.33 | 56% | 0.562 | S | S | . | * | trans | -105.6 | 153.2 | 170.2 | -60.2 | -177.3 | 0 | 0 | 0 | 110 | I100 F104 F113 I119 | I100-L116 HydrophobicContact CG2-CD1 4.25Å; F104-L116 HydrophobicContact CB-CD1 3.75Å; F104-L116 HydrophobicContact CB-CD2 4.24Å; F104-L116 HydrophobicContact CB-CG 4.06Å; F104-L116 HydrophobicContact CD1-CD1 4.26Å; F104-L116 HydrophobicContact CD1-CD2 3.78Å; F104-L116 HydrophobicContact CD1-CG 4.46Å; F104-L116 HydrophobicContact CD2-CD1 3.84Å; F104-L116 HydrophobicContact CE1-CD2 4.37Å; F104-L116 HydrophobicContact CG-CD1 3.69Å; F104-L116 HydrophobicContact CG-CD2 4.03Å; F104-L116 HydrophobicContact CG-CG 4.22Å; F113-L116 HydrophobicContact CE2-CD2 4Å; F113-L116 HydrophobicContact CZ-CD2 3.69Å; F113-L116 HydrophobicContact CZ-CG 3.92Å; L116-I119 HydrophobicContact CB-CD1 4.04Å; L116-I119 HydrophobicContact CB-CG1 4.35Å; L116-I119 HydrophobicContact CD1-CD1 3.88Å; L116-I119 HydrophobicContact CD1-CG1 4.5Å | ||
| 117 | S | 93.8 | Very high | 90.1 | Very high | 81 Ų | 81 | 103.5 Ų | 103.5 | 57% | 0.566 | 57% | 0.573 | S | S | * | * | trans | -146 | 162 | 171.2 | 62.7 | 0 | 0 | 0 | 0 | 109.7 | I119 | S117-I119 VanDerWaalsContact C-N 3.28Å; S117-I119 PolarHBondContact O-N 3.29Å | ||
| 118 | N | 95.4 | Very high | 90.1 | Very high | 154 Ų | 154 | 104.4 Ų | 104.4 | 82% | 0.824 | 58% | 0.581 | S | S | * | * | trans | 55.9 | 38.6 | 174.1 | -52.9 | -59.3 | 0 | 0 | 0 | 114 | K120 | N118-K120 PolarHBondContact O-N 3.07Š| ||
| 119 | I | 96.6 | Very high | 90.1 | Very high | 30 Ų | 30 | 103.8 Ų | 103.8 | 15% | 0.154 | 59% | 0.59 | C | S | . | * | trans | -66.1 | 125.7 | 175.2 | -61.1 | 169 | 0 | 0 | 0 | 108.4 | Y93 Q97 S101 L116 S117 F121 | Y93-I119 PolarHBondContact OH-O 3.14Å; Q97-I119 HydrophobicContact CG-CB 3.83Å; Q97-I119 HydrophobicContact CG-CD1 3.58Å; Q97-I119 HydrophobicContact CG-CG1 4.27Å; Q97-I119 HydrophobicContact CG-CG2 4Å; S101-I119 WeakPolarHBondContact OG-CD1 3.47Å; L116-I119 HydrophobicContact CB-CD1 4.04Å; L116-I119 HydrophobicContact CB-CG1 4.35Å; L116-I119 HydrophobicContact CD1-CD1 3.88Å; L116-I119 HydrophobicContact CD1-CG1 4.5Å; S117-I119 VanDerWaalsContact C-N 3.28Å; S117-I119 PolarHBondContact O-N 3.29Å; I119-F121 HydrophobicContact CG2-CE1 4.17Å; I119-F121 HydrophobicContact CG2-CE2 4.46Å; I119-F121 HydrophobicContact CG2-CZ 3.92Å | ||
| 120 | K | 97.4 | Very high | 90.6 | Very high | 174 Ų | 174 | 100.4 Ų | 100.4 | 76% | 0.757 | 59% | 0.585 | S | S | * | * | trans | -131 | 136.8 | 178.5 | -177.7 | 177.5 | 177.2 | -177.2 | 0 | 109.8 | Y93 N118 | Y93-K120 WeakPolarHBondContact OH-CA 3.48Å; N118-K120 PolarHBondContact O-N 3.07Å | ||
| 121 | F | 97.6 | Very high | 92.3 | Very high | 30 Ų | 30 | 94.2 Ų | 94.2 | 13% | 0.132 | 57% | 0.565 | C | S | . | * | trans | -99.4 | 145.7 | 170.6 | -53.7 | -65.7 | 0 | 0 | 0 | 110.3 | F81 L85 Y93 L96 I100 I119 | F81-F121 HydrophobicContact CE2-CB 3.87Å; L85-F121 HydrophobicContact CB-CB 4.18Å; L85-F121 HydrophobicContact CD2-CD2 4.08Å; L85-F121 HydrophobicContact CD2-CE2 4.43Å; Y93-F121 HydrophobicContact CD1-CD2 4.35Å; Y93-F121 HydrophobicContact CD1-CE2 4.02Å; Y93-F121 AromaticContact CD2-CD2 3.71Å; Y93-F121 HydrophobicContact CD2-CD2 3.71Å; Y93-F121 HydrophobicContact CD2-CE2 4.16Å; Y93-F121 HydrophobicContact CE1-CD2 4.11Å; Y93-F121 AromaticContact CE1-CE2 3.91Å; Y93-F121 HydrophobicContact CE1-CE2 3.91Å; Y93-F121 AromaticContact CE2-CD2 3.44Å; Y93-F121 HydrophobicContact CE2-CD2 3.44Å; Y93-F121 VanDerWaalsContact CE2-CD2 3.44Å; Y93-F121 HydrophobicContact CE2-CE2 4.07Å; Y93-F121 HydrophobicContact CE2-CG 4.45Å; Y93-F121 HydrophobicContact CG-CD2 4.13Å; Y93-F121 HydrophobicContact CG-CE2 4.11Å; Y93-F121 AromaticContact CZ-CD2 3.64Å; Y93-F121 AromaticContact CZ-CE2 3.91Å; L96-F121 HydrophobicContact CB-CE2 4.43Å; L96-F121 HydrophobicContact CB-CZ 4.13Å; L96-F121 HydrophobicContact CD2-CD1 4.23Å; L96-F121 HydrophobicContact CD2-CE1 3.7Å; L96-F121 HydrophobicContact CD2-CE2 4.08Å; L96-F121 HydrophobicContact CD2-CZ 3.63Å; L96-F121 HydrophobicContact CG-CE1 4.04Å; L96-F121 HydrophobicContact CG-CE2 4.35Å; L96-F121 HydrophobicContact CG-CZ 3.68Å; I100-F121 HydrophobicContact CD1-CE1 3.57Å; I100-F121 HydrophobicContact CD1-CZ 3.89Å; I119-F121 HydrophobicContact CG2-CE1 4.17Å; I119-F121 HydrophobicContact CG2-CE2 4.46Å; I119-F121 HydrophobicContact CG2-CZ 3.92Å | ||
| 122 | S | 96.3 | Very high | 93.7 | Very high | 89 Ų | 89 | 95.2 Ų | 95.2 | 62% | 0.622 | 54% | 0.541 | S | S | * | . | trans | -149.5 | 155 | 175 | 58.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 123 | E | 92.7 | Very high | 94.3 | Very high | 204 Ų | 204 | 97.4 Ų | 97.4 | 95% | 0.953 | 52% | 0.524 | S | S | * | . | trans | -68.6 | 0 | 168.3 | -161 | -174.1 | 164.5 | 0 | 0 | 111.8 | F81 | F81-E123 HydrophobicContact CD1-CB 4.03Å; F81-E123 HydrophobicContact CD1-CG 4.49Å; F81-E123 HydrophobicContact CE1-CB 4.43Å; F81-E123 HydrophobicContact CG-CB 4.26Å |
Retrieved 123 of 123 residues in 224.5 ms
(Link to these results)