| 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 | 39.2 | Very low | 40.2 | Very low | 247 Ų | 247 | 166.6 Ų | 166.6 | 100% | 1.217 | 80% | 0.799 | S | S | * | * | 0 | 96.4 | 0 | -116.5 | 163.6 | 174.9 | 0 | 0 | 108.8 | |||||
| 2 | K | 35.6 | Very low | 40.2 | Very low | 214 Ų | 214 | 164.1 Ų | 164.1 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | trans | -99.6 | 102 | -179.6 | -156.5 | 156.9 | -176.6 | 174.4 | 0 | 107.4 | R4 | K2-R4 PolarHBondContact O-N 3.01Š| ||
| 3 | R | 35 | Very low | 40 | Very low | 237 Ų | 237 | 156.1 Ų | 156.1 | 89% | 0.894 | 76% | 0.76 | S | S | * | * | trans | -71.6 | 108.1 | 178.6 | -81.2 | -173.4 | -89.2 | 178.6 | -4.8 | 108.3 | I5 | R3-I5 PolarHBondContact O-N 3.21Š| ||
| 4 | R | 36.4 | Very low | 40.2 | Very low | 245 Ų | 245 | 151.4 Ų | 151.4 | 93% | 0.925 | 74% | 0.741 | S | S | * | * | trans | -68.8 | 119.6 | 165.8 | -81.6 | -169.7 | -157.9 | 169.9 | 6.2 | 107.7 | K2 S6 | K2-R4 PolarHBondContact O-N 3.01Å; R4-S6 PolarHBondContact O-N 3.15Å | ||
| 5 | I | 43.7 | Very low | 40.2 | Very low | 134 Ų | 134 | 148.3 Ų | 148.3 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | trans | -82.6 | 107 | 165.2 | -61.4 | 160.9 | 0 | 0 | 0 | 105.2 | R3 F7 | R3-I5 PolarHBondContact O-N 3.21Å; I5-F7 HydrophobicContact CB-CE2 4.35Å; I5-F7 HydrophobicContact CG2-CD2 3.9Å; I5-F7 HydrophobicContact CG2-CE1 4.45Å; I5-F7 HydrophobicContact CG2-CE2 3.49Å; I5-F7 VanDerWaalsContact CG2-CE2 3.49Å; I5-F7 HydrophobicContact CG2-CZ 3.81Å | ||
| 6 | S | 38.9 | Very low | 40.4 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | trans | -89 | 104.1 | 173.2 | -161.7 | 0 | 0 | 0 | 0 | 107.6 | R4 H8 | R4-S6 PolarHBondContact O-N 3.15Å; S6-H8 PolarHBondContact O-N 3.02Å | ||
| 7 | F | 41.7 | Very low | 40.5 | Very low | 164 Ų | 164 | 140.1 Ų | 140.1 | 72% | 0.719 | 70% | 0.697 | S | S | * | * | trans | -72.5 | 114.3 | 171.1 | -74.1 | -85.9 | 0 | 0 | 0 | 108.1 | I5 H9 | I5-F7 HydrophobicContact CB-CE2 4.35Å; I5-F7 HydrophobicContact CG2-CD2 3.9Å; I5-F7 HydrophobicContact CG2-CE1 4.45Å; I5-F7 HydrophobicContact CG2-CE2 3.49Å; I5-F7 VanDerWaalsContact CG2-CE2 3.49Å; I5-F7 HydrophobicContact CG2-CZ 3.81Å; F7-H9 PolarHBondContact O-N 3.25Å | ||
| 8 | H | 41.8 | Very low | 40.7 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 71% | 0.708 | 69% | 0.688 | S | S | * | * | trans | -65.1 | 118.4 | 176.2 | -128.1 | -115.9 | 0 | 0 | 0 | 108.4 | S6 G10 V11 | S6-H8 PolarHBondContact O-N 3.02Å; H8-G10 PolarHBondContact O-N 2.99Å; H8-V11 PolarHBondContact O-N 3.24Å | ||
| 9 | H | 43.9 | Very low | 40.9 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 81% | 0.806 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.9 | -18 | 178.9 | -167.1 | -106 | 0 | 0 | 0 | 113.8 | F7 | F7-H9 PolarHBondContact O-N 3.25Š|
| 10 | G | 38.7 | Very low | 40.9 | Very low | 47 Ų | 47 | 136.6 Ų | 136.6 | 49% | 0.485 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -71.2 | -22.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | H8 F12 | H8-G10 PolarHBondContact O-N 2.99Å; G10-F12 VanDerWaalsContact C-N 3.3Å; G10-F12 PolarHBondContact O-N 2.98Å |
| 11 | V | 47 | Very low | 40.8 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 69% | 0.685 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -71.7 | -29.1 | 180 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | H8 | H8-V11 PolarHBondContact O-N 3.24Å |
| 12 | F | 40.6 | Very low | 41.1 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 60% | 0.596 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -74.3 | -36.7 | -179.6 | -162.5 | -98.6 | 0 | 0 | 0 | 112.1 | G10 F15 T16 F120 | G10-F12 VanDerWaalsContact C-N 3.3Å; G10-F12 PolarHBondContact O-N 2.98Å; F12-F15 PolarHBondContact O-N 2.76Å; F12-T16 PolarHBondContact O-N 3.47Å; F12-T16 PolarHBondContact O-OG1 3.29Å; F12-T16 VanDerWaalsContact O-OG1 3.12Å; F12-F120 HydrophobicContact CE2-CE2 4.41Å; F12-F120 HydrophobicContact CE2-CZ 4.43Å |
| 13 | A | 37.8 | Very low | 41.5 | Very low | 60 Ų | 60 | 130.1 Ų | 130.1 | 50% | 0.496 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -74 | -33.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | F15 T16 S17 | A13-F15 VanDerWaalsContact C-N 3.29Å; A13-T16 PolarHBondContact O-OG1 2.7Å; A13-S17 PolarHBondContact O-N 3.11Å |
| 14 | D | 42.8 | Very low | 41.6 | Very low | 91 Ų | 91 | 123.7 Ų | 123.7 | 49% | 0.487 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -69.5 | -30.8 | 175.6 | -170.9 | -100.5 | 0 | 0 | 0 | 111.7 | K18 | D14-K18 PolarHBondContact O-N 3.39Å; D14-K18 WeakPolarHBondContact OD1-CE 3.36Å; D14-K18 IonicContact OD1-NZ 2.73Å; D14-K18 PolarHBondContact OD1-NZ 3.37Å; D14-K18 IonicContact OD2-NZ 3.79Å |
| 15 | F | 40.7 | Very low | 41.7 | Very low | 105 Ų | 105 | 116.4 Ų | 116.4 | 46% | 0.461 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -75.1 | -44.2 | -178.1 | -159.3 | -95.8 | 0 | 0 | 0 | 112.2 | F12 A13 S17 K18 V19 L116 | F12-F15 PolarHBondContact O-N 2.76Å; A13-F15 VanDerWaalsContact C-N 3.29Å; F15-S17 VanDerWaalsContact C-N 3.29Å; F15-S17 PolarHBondContact O-N 3.01Å; F15-K18 PolarHBondContact O-N 2.85Å; F15-V19 HydrophobicContact CD1-CG2 4.03Å; F15-V19 HydrophobicContact CE1-CG2 3.86Å; F15-V19 WeakPolarHBondContact O-CG2 3.36Å; F15-V19 PolarHBondContact O-N 2.76Å; F15-V19 VanDerWaalsContact O-N 3.14Å; F15-L116 HydrophobicContact CE2-CD2 4.28Å |
| 16 | T | 43.3 | Very low | 41.6 | Very low | 75 Ų | 75 | 120.9 Ų | 120.9 | 46% | 0.46 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -60.7 | -38.7 | 175.8 | 28.1 | 0 | 0 | 0 | 0 | 112.2 | F12 A13 K18 V19 E20 | F12-T16 PolarHBondContact O-N 3.47Å; F12-T16 PolarHBondContact O-OG1 3.29Å; F12-T16 VanDerWaalsContact O-OG1 3.12Å; A13-T16 PolarHBondContact O-OG1 2.7Å; T16-K18 VanDerWaalsContact C-N 3.33Å; T16-K18 PolarHBondContact O-N 3.47Å; T16-V19 PolarHBondContact O-N 3.3Å; T16-E20 PolarHBondContact O-N 3.22Å |
| 17 | S | 42 | Very low | 41.5 | Very low | 81 Ų | 81 | 122 Ų | 122 | 57% | 0.566 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.8 | -28.9 | -179.7 | -152.6 | 0 | 0 | 0 | 0 | 113.2 | A13 F15 | A13-S17 PolarHBondContact O-N 3.11Å; F15-S17 VanDerWaalsContact C-N 3.29Å; F15-S17 PolarHBondContact O-N 3.01Å |
| 18 | K | 42.7 | Very low | 41.5 | Very low | 123 Ų | 123 | 122 Ų | 122 | 54% | 0.535 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -80.6 | -29.4 | 175.5 | -77.7 | 174.1 | 179.1 | 154.7 | 0 | 113.6 | D14 F15 T16 F21 I22 | D14-K18 PolarHBondContact O-N 3.39Å; D14-K18 WeakPolarHBondContact OD1-CE 3.36Å; D14-K18 IonicContact OD1-NZ 2.73Å; D14-K18 PolarHBondContact OD1-NZ 3.37Å; D14-K18 IonicContact OD2-NZ 3.79Å; F15-K18 PolarHBondContact O-N 2.85Å; T16-K18 VanDerWaalsContact C-N 3.33Å; T16-K18 PolarHBondContact O-N 3.47Å; K18-F21 PolarHBondContact O-N 2.94Å; K18-I22 WeakPolarHBondContact O-CG1 3.27Å; K18-I22 PolarHBondContact O-N 3.29Å |
| 19 | V | 44.5 | Very low | 41.3 | Very low | 72 Ų | 72 | 119.2 Ų | 119.2 | 44% | 0.436 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -69.6 | -39.8 | 175.7 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | F15 T16 F21 I22 E23 | F15-V19 HydrophobicContact CD1-CG2 4.03Å; F15-V19 HydrophobicContact CE1-CG2 3.86Å; F15-V19 WeakPolarHBondContact O-CG2 3.36Å; F15-V19 PolarHBondContact O-N 2.76Å; F15-V19 VanDerWaalsContact O-N 3.14Å; T16-V19 PolarHBondContact O-N 3.3Å; V19-F21 VanDerWaalsContact C-N 3.28Å; V19-F21 PolarHBondContact O-N 3.41Å; V19-I22 PolarHBondContact O-N 2.94Å; V19-E23 PolarHBondContact O-N 3.39Å |
| 20 | E | 41.9 | Very low | 40.9 | Very low | 155 Ų | 155 | 114.3 Ų | 114.3 | 72% | 0.724 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -64.9 | -29.6 | 175.1 | -75.2 | -169 | 132.9 | 0 | 0 | 113.4 | T16 | T16-E20 PolarHBondContact O-N 3.22Å |
| 21 | F | 38.9 | Very low | 40.9 | Very low | 163 Ų | 163 | 118.2 Ų | 118.2 | 72% | 0.715 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.6 | -27.7 | 178.4 | -166 | -101.2 | 0 | 0 | 0 | 113.1 | K18 V19 | K18-F21 PolarHBondContact O-N 2.94Å; V19-F21 VanDerWaalsContact C-N 3.28Å; V19-F21 PolarHBondContact O-N 3.41Å |
| 22 | I | 45.1 | Very low | 40.3 | Very low | 128 Ų | 128 | 119 Ų | 119 | 66% | 0.656 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -82.7 | -27.8 | -177 | -64.7 | 168.4 | 0 | 0 | 0 | 111.5 | K18 V19 S24 | K18-I22 WeakPolarHBondContact O-CG1 3.27Å; K18-I22 PolarHBondContact O-N 3.29Å; V19-I22 PolarHBondContact O-N 2.94Å; I22-S24 VanDerWaalsContact C-N 3.32Å; I22-S24 PolarHBondContact O-N 3.24Å |
| 23 | E | 43.8 | Very low | 40.3 | Very low | 171 Ų | 171 | 119.8 Ų | 119.8 | 80% | 0.799 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -78.1 | -14.4 | -179.7 | -160.5 | 149.8 | 147.4 | 0 | 0 | 114 | V19 S25 | V19-E23 PolarHBondContact O-N 3.39Å; E23-S25 VanDerWaalsContact C-N 3.32Å; E23-S25 PolarHBondContact O-N 2.86Å |
| 24 | S | 36.7 | Very low | 40.4 | Very low | 103 Ų | 103 | 122 Ų | 122 | 72% | 0.72 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -12.1 | 177.2 | -168.6 | 0 | 0 | 0 | 0 | 113.8 | I22 R26 | I22-S24 VanDerWaalsContact C-N 3.32Å; I22-S24 PolarHBondContact O-N 3.24Å; S24-R26 PolarHBondContact O-N 3.38Å |
| 25 | S | 39.8 | Very low | 40.2 | Very low | 91 Ų | 91 | 124 Ų | 124 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | trans | -94.5 | 75 | -175.5 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | E23 | E23-S25 VanDerWaalsContact C-N 3.32Å; E23-S25 PolarHBondContact O-N 2.86Å | ||
| 26 | R | 41 | Very low | 40.3 | Very low | 228 Ų | 228 | 123.1 Ų | 123.1 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | trans | -61.8 | 132.4 | 171.6 | -87.3 | -177.2 | 171.7 | -175.4 | -2 | 111.5 | S24 | S24-R26 PolarHBondContact O-N 3.38Š| ||
| 27 | P | 37.1 | Very low | 40.1 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 84% | 0.838 | 73% | 0.731 | S | S | * | * | trans | -84.7 | 121.9 | 179.9 | 32 | -30.2 | 0 | 0 | 0 | 111 | ||||
| 28 | I | 40.8 | Very low | 40 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 84% | 0.841 | 74% | 0.741 | S | S | * | * | trans | -94.3 | 113.2 | 171.9 | -65.5 | 175.1 | 0 | 0 | 0 | 109 | ||||
| 29 | A | 37.4 | Very low | 39.8 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | 23.1 | 127.3 | 143.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 30 | G | 37.2 | Very low | 39.9 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | 114.3 | 106.3 | 134.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 31 | S | 38.6 | Very low | 39.9 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | 173.1 | 132.7 | 116.7 | -83.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 32 | T | 34.3 | Very low | 40 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -76.6 | 170.1 | -179.5 | -50 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 33 | I | 40.6 | Very low | 39.6 | Very low | 153 Ų | 153 | 130 Ų | 130 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 107.2 | 138.9 | 148.7 | -57.8 | 172.6 | 0 | 0 | 0 | 115.1 | ||||
| 34 | T | 39.3 | Very low | 39.9 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | cis | 179.1 | 146.4 | -14.8 | -75.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 35 | T | 37.7 | Very low | 40.3 | Very low | 133 Ų | 133 | 128 Ų | 128 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | 59.5 | 123.6 | 149.5 | -60.4 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 36 | A | 43.1 | Very low | 40.3 | Very low | 87 Ų | 87 | 129.8 Ų | 129.8 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | 163.3 | 136.7 | 123.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 37 | S | 40 | Very low | 40.8 | Very low | 120 Ų | 120 | 124 Ų | 124 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | cis | -159.7 | 156.1 | 19 | -90.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 38 | S | 40.4 | Very low | 40.6 | Very low | 111 Ų | 111 | 122.8 Ų | 122.8 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -70.2 | 160.2 | -177.9 | -23.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 39 | T | 37.2 | Very low | 40.6 | Very low | 119 Ų | 119 | 119 Ų | 119 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | 170.1 | 107.4 | 123.4 | -72.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 40 | I | 48.1 | Very low | 40.9 | Very low | 151 Ų | 151 | 121.4 Ų | 121.4 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | trans | 54.3 | 138.3 | 151.7 | 37 | 175 | 0 | 0 | 0 | 120.4 | ||||
| 41 | T | 40.7 | Very low | 41.3 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | cis | -167.8 | 144.1 | 24.7 | 21.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 42 | S | 40.4 | Very low | 41.1 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 67.5 | 108.5 | 148.6 | 63.6 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 43 | F | 36.8 | Very low | 41.7 | Very low | 202 Ų | 202 | 126.1 Ų | 126.1 | 89% | 0.886 | 75% | 0.748 | S | S | * | * | trans | -72 | 172 | 154.7 | -74.7 | -87.7 | 0 | 0 | 0 | 112.3 | ||||
| 44 | P | 51.5 | Low | 41.6 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | cis | -148.2 | -154.8 | 32.6 | 42.8 | -19.4 | 0 | 0 | 0 | 114.3 | ||||
| 45 | P | 44.3 | Very low | 41.7 | Very low | 118 Ų | 118 | 126.4 Ų | 126.4 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | cis | -126.9 | 174.5 | -22.7 | 28.4 | -5.1 | 0 | 0 | 0 | 115.2 | ||||
| 46 | N | 39.3 | Very low | 42 | Very low | 127 Ų | 127 | 123.8 Ų | 123.8 | 68% | 0.679 | 73% | 0.731 | S | S | * | * | trans | -54.7 | 151.4 | 179.7 | -174.2 | 23.4 | 0 | 0 | 0 | 117.2 | S48 | N46-S48 PolarHBondContact ND2-OG 3.45Å; N46-S48 VanDerWaalsContact ND2-OG 3.15Å; N46-S48 PolarHBondContact OD1-N 3.25Å | ||
| 47 | P | 51.6 | Low | 42.4 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | -138.4 | 117.8 | 126.4 | 34.9 | -19.7 | 0 | 0 | 0 | 114.2 | S49 | P47-S49 PolarHBondContact O-N 2.8Š| |||
| 48 | S | 34.1 | Very low | 42.7 | Very low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 73% | 0.726 | S | S | * | * | trans | -69.7 | 99.8 | 160.7 | -45.5 | 0 | 0 | 0 | 0 | 108.8 | N46 | N46-S48 PolarHBondContact ND2-OG 3.45Å; N46-S48 VanDerWaalsContact ND2-OG 3.15Å; N46-S48 PolarHBondContact OD1-N 3.25Å | ||
| 49 | S | 40.5 | Very low | 43.2 | Very low | 84 Ų | 84 | 127.4 Ų | 127.4 | 59% | 0.587 | 71% | 0.714 | S | S | * | * | trans | -179.2 | 141.9 | 162.3 | 59.3 | 0 | 0 | 0 | 0 | 111.6 | P47 | P47-S49 PolarHBondContact O-N 2.8Š| ||
| 50 | I | 42.9 | Very low | 43.5 | Very low | 145 Ų | 145 | 128.8 Ų | 128.8 | 74% | 0.744 | 71% | 0.71 | S | S | * | * | trans | 82.5 | 91 | 152.9 | -57.3 | 149.1 | 0 | 0 | 0 | 115.2 | ||||
| 51 | L | 46.2 | Very low | 43.5 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | -176.2 | 88 | 109.6 | -100.1 | 143.8 | 0 | 0 | 0 | 109 | T53 | L51-T53 VanDerWaalsContact C-N 3.27Å; L51-T53 HydrophobicContact CB-CG2 4.46Å; L51-T53 HydrophobicContact CD2-CG2 4.44Å; L51-T53 PolarHBondContact O-N 3.49Å | |||
| 52 | E | 35.1 | Very low | 43.6 | Very low | 190 Ų | 190 | 130.9 Ų | 130.9 | 89% | 0.888 | 70% | 0.704 | S | S | * | * | trans | -60.7 | 96.4 | 152.4 | -65.3 | 175.1 | 131.4 | 0 | 0 | 106.7 | S54 | E52-S54 PolarHBondContact O-N 2.82Š| ||
| 53 | T | 45.7 | Very low | 43.7 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 60% | 0.595 | 70% | 0.697 | S | S | * | * | trans | -78.2 | 80.4 | 169.6 | 55.8 | 0 | 0 | 0 | 0 | 107.4 | L51 F55 | L51-T53 VanDerWaalsContact C-N 3.27Å; L51-T53 HydrophobicContact CB-CG2 4.46Å; L51-T53 HydrophobicContact CD2-CG2 4.44Å; L51-T53 PolarHBondContact O-N 3.49Å; T53-F55 PolarHBondContact O-N 2.83Å | ||
| 54 | S | 39.1 | Very low | 44.1 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | trans | -68.4 | 108.8 | 162.9 | 60.4 | 0 | 0 | 0 | 0 | 107.7 | E52 T56 | E52-S54 PolarHBondContact O-N 2.82Å; S54-T56 PolarHBondContact O-N 3.27Å | ||
| 55 | F | 41.6 | Very low | 43.9 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 74% | 0.737 | 70% | 0.695 | S | S | * | * | trans | -71 | 107.9 | 168.2 | -78.7 | -97.5 | 0 | 0 | 0 | 108.1 | T53 | T53-F55 PolarHBondContact O-N 2.83Š| ||
| 56 | T | 43.7 | Very low | 43.9 | Very low | 78 Ų | 78 | 130.5 Ų | 130.5 | 48% | 0.479 | 68% | 0.676 | S | S | . | * | trans | -94.1 | 142 | 168.6 | 47.4 | 0 | 0 | 0 | 0 | 109.5 | S54 D58 D59 | S54-T56 PolarHBondContact O-N 3.27Å; T56-D58 PolarHBondContact O-N 3.33Å; T56-D59 PolarHBondContact O-N 2.92Å | ||
| 57 | E | 51.3 | Low | 44.2 | Very low | 174 Ų | 174 | 127.3 Ų | 127.3 | 81% | 0.813 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -9.7 | -170.1 | -61 | 168.9 | 116.8 | 0 | 0 | 113.9 | ||
| 58 | D | 46.9 | Very low | 44.2 | Very low | 123 Ų | 123 | 128 Ų | 128 | 66% | 0.658 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -24.1 | 176.9 | -69.8 | -68.7 | 0 | 0 | 0 | 115 | T56 F60 L61 | T56-D58 PolarHBondContact O-N 3.33Å; D58-F60 VanDerWaalsContact C-N 3.26Å; D58-F60 PolarHBondContact O-N 3.03Å; D58-L61 PolarHBondContact O-N 2.75Å |
| 59 | D | 49.4 | Very low | 44.9 | Very low | 97 Ų | 97 | 129 Ų | 129 | 52% | 0.519 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -70.7 | -22 | 177.2 | -93.6 | -48.7 | 0 | 0 | 0 | 113 | T56 | T56-D59 PolarHBondContact O-N 2.92Å |
| 60 | F | 44.6 | Very low | 45.2 | Very low | 148 Ų | 148 | 129 Ų | 129 | 65% | 0.649 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.6 | -29 | 177.7 | -76.9 | -89.4 | 0 | 0 | 0 | 112.6 | D58 F63 | D58-F60 VanDerWaalsContact C-N 3.26Å; D58-F60 PolarHBondContact O-N 3.03Å; F60-F63 WeakPolarHBondContact O-CB 3.39Å; F60-F63 PolarHBondContact O-N 2.81Å |
| 61 | L | 48 | Very low | 45.6 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 68% | 0.681 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -80.8 | -23.6 | 179.7 | -67.5 | 179.1 | 0 | 0 | 0 | 112.7 | D58 F63 | D58-L61 PolarHBondContact O-N 2.75Å; L61-F63 VanDerWaalsContact C-N 3.3Å |
| 62 | R | 42.8 | Very low | 45.9 | Very low | 188 Ų | 188 | 122.9 Ų | 122.9 | 71% | 0.709 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74.6 | -20.3 | 171.8 | -161.9 | 176.5 | -179.4 | -166.5 | 0.6 | 112.9 | N64 Q65 | R62-N64 VanDerWaalsContact C-N 3.28Å; R62-N64 PolarHBondContact O-N 3.35Å; R62-Q65 PolarHBondContact O-N 3.44Å; R62-Q65 VanDerWaalsContact O-N 3.11Å |
| 63 | F | 42.4 | Very low | 46.8 | Very low | 152 Ų | 152 | 116.8 Ų | 116.8 | 67% | 0.667 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -66.5 | -27.1 | 176.2 | -119.5 | -97.1 | 0 | 0 | 0 | 113.2 | F60 L61 Q65 I66 | F60-F63 WeakPolarHBondContact O-CB 3.39Å; F60-F63 PolarHBondContact O-N 2.81Å; L61-F63 VanDerWaalsContact C-N 3.3Å; F63-Q65 PolarHBondContact O-N 3.45Å; F63-I66 HydrophobicContact CB-CD1 4.05Å; F63-I66 HydrophobicContact CD1-CD1 3.11Å; F63-I66 HydrophobicContact CD1-CG1 4.48Å; F63-I66 HydrophobicContact CD2-CD1 3.82Å; F63-I66 HydrophobicContact CE1-CD1 3.28Å; F63-I66 HydrophobicContact CE2-CD1 3.97Å; F63-I66 HydrophobicContact CG-CD1 3.39Å; F63-I66 HydrophobicContact CZ-CD1 3.72Å; F63-I66 WeakPolarHBondContact O-CB 3.35Å; F63-I66 WeakPolarHBondContact O-CD1 3.18Å; F63-I66 WeakPolarHBondContact O-CG1 3.34Å; F63-I66 PolarHBondContact O-N 2.78Å |
| 64 | N | 45.2 | Very low | 47 | Very low | 155 Ų | 155 | 119 Ų | 119 | 83% | 0.829 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -74 | -10.1 | 174.3 | -95.8 | -20.5 | 0 | 0 | 0 | 113.6 | R62 | R62-N64 VanDerWaalsContact C-N 3.28Å; R62-N64 PolarHBondContact O-N 3.35Å |
| 65 | Q | 46.3 | Very low | 47.6 | Very low | 164 Ų | 164 | 123.2 Ų | 123.2 | 77% | 0.766 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -107.3 | 21.2 | 175.3 | -144.1 | 176.3 | 7 | 0 | 0 | 111.7 | R62 F63 S67 | R62-Q65 PolarHBondContact O-N 3.44Å; R62-Q65 VanDerWaalsContact O-N 3.11Å; F63-Q65 PolarHBondContact O-N 3.45Å; Q65-S67 PolarHBondContact O-N 3.32Å |
| 66 | I | 45 | Very low | 48.3 | Very low | 72 Ų | 72 | 122.6 Ų | 122.6 | 37% | 0.369 | 61% | 0.606 | S | S | . | * | trans | -67 | 91.9 | 171 | -73.3 | 165.9 | 0 | 0 | 0 | 108.2 | F63 T68 V70 | F63-I66 HydrophobicContact CB-CD1 4.05Å; F63-I66 HydrophobicContact CD1-CD1 3.11Å; F63-I66 HydrophobicContact CD1-CG1 4.48Å; F63-I66 HydrophobicContact CD2-CD1 3.82Å; F63-I66 HydrophobicContact CE1-CD1 3.28Å; F63-I66 HydrophobicContact CE2-CD1 3.97Å; F63-I66 HydrophobicContact CG-CD1 3.39Å; F63-I66 HydrophobicContact CZ-CD1 3.72Å; F63-I66 WeakPolarHBondContact O-CB 3.35Å; F63-I66 WeakPolarHBondContact O-CD1 3.18Å; F63-I66 WeakPolarHBondContact O-CG1 3.34Å; F63-I66 PolarHBondContact O-N 2.78Å; I66-T68 PolarHBondContact O-N 3.29Å; I66-V70 HydrophobicContact CG2-CB 4.46Å; I66-V70 HydrophobicContact CG2-CG2 3.96Å | ||
| 67 | S | 46.6 | Very low | 48.8 | Very low | 60 Ų | 60 | 122.1 Ų | 122.1 | 42% | 0.42 | 61% | 0.605 | S | S | . | * | trans | -10.9 | 117 | 173.9 | -154.5 | 0 | 0 | 0 | 0 | 112.8 | Q65 H69 V70 I71 | Q65-S67 PolarHBondContact O-N 3.32Å; S67-H69 CarbonylContact O-C 3.59Å; S67-H69 PolarHBondContact O-N 2.77Å; S67-H69 VanDerWaalsContact OG-CB 3.27Å; S67-H69 WeakPolarHBondContact OG-CB 3.18Å; S67-V70 WeakPolarHBondContact O-CG2 3.42Å; S67-V70 PolarHBondContact O-N 3.39Å; S67-I71 PolarHBondContact O-N 3.44Å | ||
| 68 | T | 50.5 | Low | 48.8 | Very low | 123 Ų | 123 | 116.9 Ų | 116.9 | 76% | 0.755 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -43.8 | -22.6 | 161.8 | 46.5 | 0 | 0 | 0 | 0 | 112.4 | I66 S72 | I66-T68 PolarHBondContact O-N 3.29Å; T68-S72 VanDerWaalsContact O-CB 3.24Å; T68-S72 WeakPolarHBondContact O-CB 3.24Å; T68-S72 PolarHBondContact O-N 3.33Å; T68-S72 PolarHBondContact O-OG 3.35Å |
| 69 | H | 48.2 | Very low | 49.1 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 57% | 0.574 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.1 | -37.4 | 171.7 | -159.4 | -84.7 | 0 | 0 | 0 | 115.2 | S67 S72 T73 | S67-H69 CarbonylContact O-C 3.59Å; S67-H69 PolarHBondContact O-N 2.77Å; S67-H69 VanDerWaalsContact OG-CB 3.27Å; S67-H69 WeakPolarHBondContact OG-CB 3.18Å; H69-S72 WeakPolarHBondContact CA-OG 2.98Å; H69-S72 PolarHBondContact O-OG 3.47Å; H69-T73 WeakPolarHBondContact O-CB 3.13Å; H69-T73 PolarHBondContact O-N 2.89Å; H69-T73 PolarHBondContact O-OG1 3.27Å |
| 70 | V | 48.4 | Very low | 49.6 | Very low | 84 Ų | 84 | 115.5 Ų | 115.5 | 51% | 0.509 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -73.1 | -38.6 | 173.5 | -135.9 | 0 | 0 | 0 | 0 | 109.6 | I66 S67 T73 F74 | I66-V70 HydrophobicContact CG2-CB 4.46Å; I66-V70 HydrophobicContact CG2-CG2 3.96Å; S67-V70 WeakPolarHBondContact O-CG2 3.42Å; S67-V70 PolarHBondContact O-N 3.39Å; V70-T73 PolarHBondContact O-N 2.81Å; V70-F74 WeakPolarHBondContact O-CB 3.37Å; V70-F74 PolarHBondContact O-N 2.93Å |
| 71 | I | 51.6 | Low | 50.3 | Low | 105 Ų | 105 | 112.8 Ų | 112.8 | 54% | 0.538 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.5 | -39.2 | 174.9 | -62.5 | 170 | 0 | 0 | 0 | 110.8 | S67 R75 | S67-I71 PolarHBondContact O-N 3.44Å; I71-R75 WeakPolarHBondContact O-CB 3.47Å; I71-R75 PolarHBondContact O-N 2.89Å |
| 72 | S | 52 | Low | 50.8 | Low | 51 Ų | 51 | 108.3 Ų | 108.3 | 36% | 0.357 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.1 | -42.1 | 177.4 | 68.8 | 0 | 0 | 0 | 0 | 112.2 | T68 H69 F74 R75 Q76 | T68-S72 VanDerWaalsContact O-CB 3.24Å; T68-S72 WeakPolarHBondContact O-CB 3.24Å; T68-S72 PolarHBondContact O-N 3.33Å; T68-S72 PolarHBondContact O-OG 3.35Å; H69-S72 WeakPolarHBondContact CA-OG 2.98Å; H69-S72 PolarHBondContact O-OG 3.47Å; S72-F74 VanDerWaalsContact C-N 3.34Å; S72-R75 PolarHBondContact O-N 2.84Å; S72-Q76 WeakPolarHBondContact O-CG 3.32Å; S72-Q76 PolarHBondContact O-N 3.47Å |
| 73 | T | 52.8 | Low | 51.7 | Low | 62 Ų | 62 | 105.7 Ų | 105.7 | 38% | 0.38 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 174.5 | -53.4 | 0 | 0 | 0 | 0 | 110.2 | H69 V70 R75 Q76 C77 | H69-T73 WeakPolarHBondContact O-CB 3.13Å; H69-T73 PolarHBondContact O-N 2.89Å; H69-T73 PolarHBondContact O-OG1 3.27Å; V70-T73 PolarHBondContact O-N 2.81Å; T73-R75 VanDerWaalsContact C-N 3.33Å; T73-R75 PolarHBondContact O-N 3.24Å; T73-Q76 PolarHBondContact O-N 3.2Å; T73-C77 PolarHBondContact O-N 2.83Å; T73-C77 PolarHBondContact O-SG 3.32Å; T73-C77 VanDerWaalsContact O-SG 3.41Å |
| 74 | F | 51 | Low | 52.6 | Low | 143 Ų | 143 | 101.5 Ų | 101.5 | 63% | 0.627 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.5 | -45.4 | 175 | -157.6 | -93.2 | 0 | 0 | 0 | 110.4 | V70 S72 Q76 C77 Y78 | V70-F74 WeakPolarHBondContact O-CB 3.37Å; V70-F74 PolarHBondContact O-N 2.93Å; S72-F74 VanDerWaalsContact C-N 3.34Å; F74-Q76 VanDerWaalsContact C-N 3.32Å; F74-Q76 PolarHBondContact O-N 2.88Å; F74-C77 PolarHBondContact O-N 3.46Å; F74-Y78 HydrophobicContact CE1-CD2 4.06Å; F74-Y78 HydrophobicContact CE1-CG 4.49Å; F74-Y78 WeakPolarHBondContact O-CA 3.15Å; F74-Y78 WeakPolarHBondContact O-CB 3.43Å; F74-Y78 PolarHBondContact O-N 3.37Å |
| 75 | R | 51.7 | Low | 53.1 | Low | 187 Ų | 187 | 97.9 Ų | 97.9 | 71% | 0.706 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.1 | -35.7 | 177.9 | -166 | -178.6 | 166.7 | -167.5 | -5 | 112.7 | I71 S72 T73 Q79 | I71-R75 WeakPolarHBondContact O-CB 3.47Å; I71-R75 PolarHBondContact O-N 2.89Å; S72-R75 PolarHBondContact O-N 2.84Å; T73-R75 VanDerWaalsContact C-N 3.33Å; T73-R75 PolarHBondContact O-N 3.24Å; R75-Q79 PolarHBondContact O-N 3.48Å |
| 76 | Q | 55.6 | Low | 54 | Low | 155 Ų | 155 | 94.6 Ų | 94.6 | 72% | 0.724 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71.3 | -40.2 | 175.5 | -76.3 | -163.1 | -18.4 | 0 | 0 | 112.9 | S72 T73 F74 P80 | S72-Q76 WeakPolarHBondContact O-CG 3.32Å; S72-Q76 PolarHBondContact O-N 3.47Å; T73-Q76 PolarHBondContact O-N 3.2Å; F74-Q76 VanDerWaalsContact C-N 3.32Å; F74-Q76 PolarHBondContact O-N 2.88Å; Q76-P80 WeakPolarHBondContact O-CD 3.31Å |
| 77 | C | 53.9 | Low | 54.9 | Low | 68 Ų | 68 | 96.8 Ų | 96.8 | 46% | 0.459 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.9 | -31.1 | 175 | -65.1 | 0 | 0 | 0 | 0 | 112.2 | T73 F74 P80 I81 | T73-C77 PolarHBondContact O-N 2.83Å; T73-C77 PolarHBondContact O-SG 3.32Å; T73-C77 VanDerWaalsContact O-SG 3.41Å; F74-C77 PolarHBondContact O-N 3.46Å; C77-P80 VanDerWaalsContact O-CD 3.3Å; C77-P80 WeakPolarHBondContact O-CD 3.33Å; C77-P80 WeakPolarHBondContact O-CG 3.15Å; C77-I81 WeakPolarHBondContact O-CD1 3.39Å; C77-I81 WeakPolarHBondContact O-CG1 3.3Å |
| 78 | Y | 51.2 | Low | 55.6 | Low | 63 Ų | 63 | 98.1 Ų | 98.1 | 25% | 0.247 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -75.1 | -28.6 | -174.4 | -168 | -108.1 | 0 | 0 | 0 | 113.1 | F74 I81 C82 I122 | F74-Y78 HydrophobicContact CE1-CD2 4.06Å; F74-Y78 HydrophobicContact CE1-CG 4.49Å; F74-Y78 WeakPolarHBondContact O-CA 3.15Å; F74-Y78 WeakPolarHBondContact O-CB 3.43Å; F74-Y78 PolarHBondContact O-N 3.37Å; Y78-I81 PolarHBondContact O-N 2.9Å; Y78-C82 WeakPolarHBondContact CD1-SG 2.91Å; Y78-C82 WeakPolarHBondContact CE1-SG 3.13Å; Y78-C82 WeakPolarHBondContact O-CB 3.21Å; Y78-C82 PolarHBondContact O-N 3.42Å; Y78-C82 PolarHBondContact O-SG 2.87Å; Y78-C82 PolarHBondContact OH-SG 2.92Å; Y78-I122 HydrophobicContact CE2-CD1 3.8Å; Y78-I122 HydrophobicContact CE2-CG1 4.25Å; Y78-I122 WeakPolarHBondContact OH-CD1 3.22Å; Y78-I122 WeakPolarHBondContact OH-CG1 3.4Å; Y78-I122 WeakPolarHBondContact OH-CG2 3.31Å |
| 79 | Q | 54.4 | Low | 56 | Low | 123 Ų | 123 | 95.3 Ų | 95.3 | 58% | 0.575 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.4 | -54.1 | 178.6 | -158.3 | 177.9 | -52.8 | 0 | 0 | 113 | R75 I81 C82 E83 | R75-Q79 PolarHBondContact O-N 3.48Å; Q79-I81 VanDerWaalsContact C-N 3.33Å; Q79-I81 PolarHBondContact O-N 2.93Å; Q79-C82 PolarHBondContact O-N 3.36Å; Q79-E83 PolarHBondContact O-N 3.43Å |
| 80 | P | 58.9 | Low | 56.6 | Low | 69 Ų | 69 | 91.9 Ų | 91.9 | 45% | 0.448 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.7 | -32 | 176.7 | 27 | -35.1 | 0 | 0 | 0 | 112.7 | Q76 C77 S84 | Q76-P80 WeakPolarHBondContact O-CD 3.31Å; C77-P80 VanDerWaalsContact O-CD 3.3Å; C77-P80 WeakPolarHBondContact O-CD 3.33Å; C77-P80 WeakPolarHBondContact O-CG 3.15Å; P80-S84 VanDerWaalsContact O-CB 3.32Å; P80-S84 WeakPolarHBondContact O-CB 3.47Å; P80-S84 PolarHBondContact O-N 3.42Å; P80-S84 PolarHBondContact O-OG 3.42Å |
| 81 | I | 60.4 | Low | 56.9 | Low | 91 Ų | 91 | 92.8 Ų | 92.8 | 47% | 0.467 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67 | -43 | 176.3 | -66.5 | 168.3 | 0 | 0 | 0 | 110.2 | C77 Y78 Q79 S84 M85 | C77-I81 WeakPolarHBondContact O-CD1 3.39Å; C77-I81 WeakPolarHBondContact O-CG1 3.3Å; Y78-I81 PolarHBondContact O-N 2.9Å; Q79-I81 VanDerWaalsContact C-N 3.33Å; Q79-I81 PolarHBondContact O-N 2.93Å; I81-S84 PolarHBondContact O-N 2.84Å; I81-M85 HydrophobicContact CG2-CG 4.28Å; I81-M85 WeakPolarHBondContact O-CB 3.34Å; I81-M85 WeakPolarHBondContact O-CG 3.24Å; I81-M85 PolarHBondContact O-N 3.43Å |
| 82 | C | 57.9 | Low | 57 | Low | 35 Ų | 35 | 91.9 Ų | 91.9 | 24% | 0.236 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -62 | -46.9 | 174.5 | -84.4 | 0 | 0 | 0 | 0 | 112.6 | Y78 Q79 S84 M85 V86 | Y78-C82 WeakPolarHBondContact CD1-SG 2.91Å; Y78-C82 WeakPolarHBondContact CE1-SG 3.13Å; Y78-C82 WeakPolarHBondContact O-CB 3.21Å; Y78-C82 PolarHBondContact O-N 3.42Å; Y78-C82 PolarHBondContact O-SG 2.87Å; Y78-C82 PolarHBondContact OH-SG 2.92Å; Q79-C82 PolarHBondContact O-N 3.36Å; C82-S84 VanDerWaalsContact C-N 3.28Å; C82-S84 PolarHBondContact O-N 3.33Å; C82-M85 PolarHBondContact O-N 3.09Å; C82-V86 WeakPolarHBondContact O-CB 2.94Å; C82-V86 VanDerWaalsContact O-CG2 3.24Å; C82-V86 WeakPolarHBondContact O-CG2 3.38Å; C82-V86 PolarHBondContact O-N 3.47Å |
| 83 | E | 60.8 | Low | 57.2 | Low | 133 Ų | 133 | 94.8 Ų | 94.8 | 62% | 0.621 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.5 | -43.7 | 176.6 | -74.8 | -170.5 | 171.7 | 0 | 0 | 110.7 | Q79 M85 V86 E87 | Q79-E83 PolarHBondContact O-N 3.43Å; E83-M85 PolarHBondContact O-N 3.49Å; E83-V86 PolarHBondContact O-N 3.3Å; E83-E87 WeakPolarHBondContact O-CB 3.38Å; E83-E87 PolarHBondContact O-N 3.42Å |
| 84 | S | 61.9 | Low | 57 | Low | 65 Ų | 65 | 98.8 Ų | 98.8 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 176 | -58 | 0 | 0 | 0 | 0 | 112.6 | P80 I81 C82 E87 L88 | P80-S84 VanDerWaalsContact O-CB 3.32Å; P80-S84 WeakPolarHBondContact O-CB 3.47Å; P80-S84 PolarHBondContact O-N 3.42Å; P80-S84 PolarHBondContact O-OG 3.42Å; I81-S84 PolarHBondContact O-N 2.84Å; C82-S84 VanDerWaalsContact C-N 3.28Å; C82-S84 PolarHBondContact O-N 3.33Å; S84-E87 PolarHBondContact O-N 3.33Å; S84-L88 WeakPolarHBondContact O-CB 3.26Å; S84-L88 PolarHBondContact O-N 3.19Å |
| 85 | M | 56.1 | Low | 57 | Low | 78 Ų | 78 | 95.9 Ų | 95.9 | 38% | 0.384 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.9 | -39.6 | 177.4 | -71.1 | -60.1 | 100.8 | 0 | 0 | 111.7 | I81 C82 E83 L88 I89 | I81-M85 HydrophobicContact CG2-CG 4.28Å; I81-M85 WeakPolarHBondContact O-CB 3.34Å; I81-M85 WeakPolarHBondContact O-CG 3.24Å; I81-M85 PolarHBondContact O-N 3.43Å; C82-M85 PolarHBondContact O-N 3.09Å; E83-M85 PolarHBondContact O-N 3.49Å; M85-L88 HydrophobicContact CE-CD2 4.18Å; M85-L88 PolarHBondContact O-N 3.15Å; M85-L88 HydrophobicContact SD-CD2 4.35Å; M85-I89 WeakPolarHBondContact O-CB 3.45Å; M85-I89 VanDerWaalsContact O-CD1 3.27Å; M85-I89 WeakPolarHBondContact O-CD1 3.41Å; M85-I89 WeakPolarHBondContact O-CG1 3.27Å; M85-I89 PolarHBondContact O-N 3.48Å |
| 86 | V | 64.6 | Low | 56.6 | Low | 95 Ų | 95 | 94 Ų | 94 | 58% | 0.576 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66 | -39.7 | 174.7 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | C82 E83 I89 S90 | C82-V86 WeakPolarHBondContact O-CB 2.94Å; C82-V86 VanDerWaalsContact O-CG2 3.24Å; C82-V86 WeakPolarHBondContact O-CG2 3.38Å; C82-V86 PolarHBondContact O-N 3.47Å; E83-V86 PolarHBondContact O-N 3.3Å; V86-I89 PolarHBondContact O-N 2.86Å; V86-S90 WeakPolarHBondContact O-CB 3.28Å; V86-S90 PolarHBondContact O-N 2.8Å |
| 87 | E | 63.9 | Low | 56.4 | Low | 119 Ų | 119 | 94.9 Ų | 94.9 | 56% | 0.556 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.3 | -44.2 | 174.4 | -173.1 | 169.4 | -166 | 0 | 0 | 111.3 | E83 S84 I89 S90 Q91 | E83-E87 WeakPolarHBondContact O-CB 3.38Å; E83-E87 PolarHBondContact O-N 3.42Å; S84-E87 PolarHBondContact O-N 3.33Å; E87-I89 PolarHBondContact O-N 2.82Å; E87-S90 WeakPolarHBondContact O-CB 3.25Å; E87-S90 PolarHBondContact O-N 2.83Å; E87-S90 VanDerWaalsContact O-N 3.15Å; E87-Q91 WeakPolarHBondContact O-CG 3.36Å; E87-Q91 PolarHBondContact O-N 3.4Å |
| 88 | L | 61.9 | Low | 56.2 | Low | 88 Ų | 88 | 99.8 Ų | 99.8 | 46% | 0.461 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.8 | -49.4 | 173.2 | 179.3 | 65 | 0 | 0 | 0 | 111.1 | S84 M85 S90 Q91 V92 | S84-L88 WeakPolarHBondContact O-CB 3.26Å; S84-L88 PolarHBondContact O-N 3.19Å; M85-L88 HydrophobicContact CE-CD2 4.18Å; M85-L88 PolarHBondContact O-N 3.15Å; M85-L88 HydrophobicContact SD-CD2 4.35Å; L88-S90 VanDerWaalsContact C-N 3.28Å; L88-S90 PolarHBondContact O-N 3.48Å; L88-Q91 PolarHBondContact O-N 3.48Å; L88-V92 HydrophobicContact CD1-CG2 4.47Å; L88-V92 VanDerWaalsContact O-CG2 3.3Å; L88-V92 WeakPolarHBondContact O-CG2 3.46Å; L88-V92 PolarHBondContact O-N 2.88Å |
| 89 | I | 58.9 | Low | 56.1 | Low | 63 Ų | 63 | 103.2 Ų | 103.2 | 32% | 0.323 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 176.8 | -69.1 | 159.6 | 0 | 0 | 0 | 110.6 | M85 V86 E87 V92 H93 F119 | M85-I89 WeakPolarHBondContact O-CB 3.45Å; M85-I89 VanDerWaalsContact O-CD1 3.27Å; M85-I89 WeakPolarHBondContact O-CD1 3.41Å; M85-I89 WeakPolarHBondContact O-CG1 3.27Å; M85-I89 PolarHBondContact O-N 3.48Å; V86-I89 PolarHBondContact O-N 2.86Å; E87-I89 PolarHBondContact O-N 2.82Å; I89-V92 PolarHBondContact O-N 3.37Å; I89-H93 WeakPolarHBondContact CG2-CE1 3.31Å; I89-H93 WeakPolarHBondContact CG2-ND1 3.48Å; I89-H93 WeakPolarHBondContact O-CB 3.34Å; I89-H93 VanDerWaalsContact O-CG 3.31Å; I89-H93 PolarHBondContact O-N 2.86Å; I89-H93 PolarHBondContact O-ND1 2.76Å; I89-F119 HydrophobicContact CD1-CD2 4.49Å; I89-F119 HydrophobicContact CD1-CE2 4.07Å |
| 90 | S | 60.4 | Low | 55.7 | Low | 52 Ų | 52 | 101.2 Ų | 101.2 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 176 | -171 | 0 | 0 | 0 | 0 | 112 | V86 E87 L88 H93 K94 | V86-S90 WeakPolarHBondContact O-CB 3.28Å; V86-S90 PolarHBondContact O-N 2.8Å; E87-S90 WeakPolarHBondContact O-CB 3.25Å; E87-S90 PolarHBondContact O-N 2.83Å; E87-S90 VanDerWaalsContact O-N 3.15Å; L88-S90 VanDerWaalsContact C-N 3.28Å; L88-S90 PolarHBondContact O-N 3.48Å; S90-H93 PolarHBondContact O-N 2.81Å; S90-K94 WeakPolarHBondContact O-CG 3.11Å; S90-K94 PolarHBondContact O-N 3.12Å |
| 91 | Q | 54.7 | Low | 55.2 | Low | 104 Ų | 104 | 103.8 Ų | 103.8 | 49% | 0.486 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 176.3 | -72.3 | -175.6 | 15 | 0 | 0 | 112 | E87 L88 K94 T95 | E87-Q91 WeakPolarHBondContact O-CG 3.36Å; E87-Q91 PolarHBondContact O-N 3.4Å; L88-Q91 PolarHBondContact O-N 3.48Å; Q91-K94 PolarHBondContact O-N 3.07Å; Q91-T95 WeakPolarHBondContact O-CB 3.43Å; Q91-T95 PolarHBondContact O-N 3.25Å; Q91-T95 PolarHBondContact O-OG1 3.29Å |
| 92 | V | 53.7 | Low | 54.9 | Low | 85 Ų | 85 | 107.9 Ų | 107.9 | 52% | 0.515 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.5 | -40.9 | 174.4 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | L88 I89 T95 K96 | L88-V92 HydrophobicContact CD1-CG2 4.47Å; L88-V92 VanDerWaalsContact O-CG2 3.3Å; L88-V92 WeakPolarHBondContact O-CG2 3.46Å; L88-V92 PolarHBondContact O-N 2.88Å; I89-V92 PolarHBondContact O-N 3.37Å; V92-T95 PolarHBondContact O-N 2.94Å; V92-K96 PolarHBondContact O-N 2.95Å; V92-K96 VanDerWaalsContact O-N 3.13Å |
| 93 | H | 57.2 | Low | 54.7 | Low | 113 Ų | 113 | 107.9 Ų | 107.9 | 52% | 0.523 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.6 | -34.2 | 173.5 | -73.4 | 128.3 | 0 | 0 | 0 | 113.6 | I89 S90 K96 | I89-H93 WeakPolarHBondContact CG2-CE1 3.31Å; I89-H93 WeakPolarHBondContact CG2-ND1 3.48Å; I89-H93 WeakPolarHBondContact O-CB 3.34Å; I89-H93 VanDerWaalsContact O-CG 3.31Å; I89-H93 PolarHBondContact O-N 2.86Å; I89-H93 PolarHBondContact O-ND1 2.76Å; S90-H93 PolarHBondContact O-N 2.81Å; H93-K96 WeakPolarHBondContact O-CB 3.25Å |
| 94 | K | 48.5 | Very low | 54.3 | Low | 145 Ų | 145 | 107.1 Ų | 107.1 | 63% | 0.63 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71.7 | -35.7 | 174.2 | -75.8 | 177.2 | 179.2 | 178 | 0 | 112.4 | S90 Q91 K96 E97 | S90-K94 WeakPolarHBondContact O-CG 3.11Å; S90-K94 PolarHBondContact O-N 3.12Å; Q91-K94 PolarHBondContact O-N 3.07Å; K94-K96 VanDerWaalsContact C-N 3.25Å; K94-K96 PolarHBondContact O-N 2.87Å; K94-E97 PolarHBondContact O-N 3.22Å |
| 95 | T | 49.8 | Very low | 53.8 | Low | 82 Ų | 82 | 110.7 Ų | 110.7 | 50% | 0.503 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.8 | -28.6 | 177.5 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | Q91 V92 E97 H98 F99 | Q91-T95 WeakPolarHBondContact O-CB 3.43Å; Q91-T95 PolarHBondContact O-N 3.25Å; Q91-T95 PolarHBondContact O-OG1 3.29Å; V92-T95 PolarHBondContact O-N 2.94Å; T95-E97 VanDerWaalsContact C-N 3.32Å; T95-E97 PolarHBondContact O-N 2.84Å; T95-H98 PolarHBondContact O-N 2.82Å; T95-F99 HydrophobicContact CG2-CD2 4.19Å; T95-F99 HydrophobicContact CG2-CE2 4.29Å |
| 96 | K | 44.6 | Very low | 53.6 | Low | 149 Ų | 149 | 112.4 Ų | 112.4 | 65% | 0.648 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -26.2 | 174 | 164.8 | -176.9 | 168.7 | 179.6 | 0 | 114.3 | V92 H93 K94 | V92-K96 PolarHBondContact O-N 2.95Å; V92-K96 VanDerWaalsContact O-N 3.13Å; H93-K96 WeakPolarHBondContact O-CB 3.25Å; K94-K96 VanDerWaalsContact C-N 3.25Å; K94-K96 PolarHBondContact O-N 2.87Å |
| 97 | E | 50.9 | Low | 53 | Low | 173 Ų | 173 | 112.1 Ų | 112.1 | 81% | 0.808 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -10.7 | 178.8 | -81.6 | -173.2 | 138.6 | 0 | 0 | 114.1 | K94 T95 | K94-E97 PolarHBondContact O-N 3.22Å; T95-E97 VanDerWaalsContact C-N 3.32Å; T95-E97 PolarHBondContact O-N 2.84Å |
| 98 | H | 50.4 | Low | 52.4 | Low | 170 Ų | 170 | 115.4 Ų | 115.4 | 79% | 0.787 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -13.4 | -178.6 | -109.3 | 60.5 | 0 | 0 | 0 | 114.9 | T95 | T95-H98 PolarHBondContact O-N 2.82Š|
| 99 | F | 47.8 | Very low | 51.8 | Low | 135 Ų | 135 | 114.2 Ų | 114.2 | 59% | 0.592 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -120.8 | 88.8 | 175.2 | -70.2 | -84.3 | 0 | 0 | 0 | 107.6 | T95 I101 | T95-F99 HydrophobicContact CG2-CD2 4.19Å; T95-F99 HydrophobicContact CG2-CE2 4.29Å; F99-I101 HydrophobicContact CB-CD1 3.69Å; F99-I101 HydrophobicContact CB-CG1 3.99Å; F99-I101 HydrophobicContact CD1-CD1 4.5Å; F99-I101 HydrophobicContact CG-CD1 4.43Å; F99-I101 PolarHBondContact O-N 3.06Å |
| 100 | G | 47 | Very low | 51.6 | Low | 82 Ų | 82 | 119.6 Ų | 119.6 | 85% | 0.845 | 64% | 0.644 | S | S | * | * | trans | -58.4 | 64.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 101 | I | 48.7 | Very low | 51.4 | Low | 123 Ų | 123 | 125.2 Ų | 125.2 | 63% | 0.631 | 66% | 0.658 | S | S | * | * | trans | -105.7 | 91.8 | -174.9 | -61.6 | 172.3 | 0 | 0 | 0 | 105.3 | F99 G103 | F99-I101 HydrophobicContact CB-CD1 3.69Å; F99-I101 HydrophobicContact CB-CG1 3.99Å; F99-I101 HydrophobicContact CD1-CD1 4.5Å; F99-I101 HydrophobicContact CG-CD1 4.43Å; F99-I101 PolarHBondContact O-N 3.06Å; I101-G103 PolarHBondContact O-N 3.07Å | ||
| 102 | D | 52.9 | Low | 51.8 | Low | 177 Ų | 177 | 123.3 Ų | 123.3 | 95% | 0.947 | 65% | 0.653 | S | S | * | * | trans | -64.1 | 63.2 | 158.9 | -72.8 | -62.4 | 0 | 0 | 0 | 109.8 | ||||
| 103 | G | 53.5 | Low | 52.3 | Low | 34 Ų | 34 | 124.9 Ų | 124.9 | 35% | 0.351 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -156.3 | 144.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I101 I105 | I101-G103 PolarHBondContact O-N 3.07Å; G103-I105 PolarHBondContact O-N 3.3Å |
| 104 | P | 52.4 | Low | 52.9 | Low | 118 Ų | 118 | 125 Ų | 125 | 77% | 0.766 | 66% | 0.658 | S | S | * | * | trans | -62.5 | 131.4 | -176.6 | 25.2 | -33.3 | 0 | 0 | 0 | 111.2 | T106 | P104-T106 PolarHBondContact O-N 3.31Š| ||
| 105 | I | 52.9 | Low | 54 | Low | 139 Ų | 139 | 122.5 Ų | 122.5 | 71% | 0.713 | 65% | 0.65 | S | S | * | * | trans | -70.2 | 96.9 | 174.2 | -53.2 | 175.7 | 0 | 0 | 0 | 107.9 | G103 V107 | G103-I105 PolarHBondContact O-N 3.3Å; I105-V107 VanDerWaalsContact C-N 3.34Å; I105-V107 HydrophobicContact CG2-CG2 3.48Å; I105-V107 VanDerWaalsContact CG2-CG2 3.48Å; I105-V107 PolarHBondContact O-N 2.92Å; I105-V107 VanDerWaalsContact O-N 3.07Å | ||
| 106 | T | 52 | Low | 55.2 | Low | 114 Ų | 114 | 122.8 Ų | 122.8 | 70% | 0.699 | 65% | 0.648 | S | S | * | * | trans | -80.9 | 78 | 176 | 44.7 | 0 | 0 | 0 | 0 | 110.5 | P104 H108 | P104-T106 PolarHBondContact O-N 3.31Å; T106-H108 PolarHBondContact O-N 3.3Å; T106-H108 VanDerWaalsContact O-N 3.12Å | ||
| 107 | V | 50.4 | Low | 56.7 | Low | 89 Ų | 89 | 121.8 Ų | 121.8 | 54% | 0.539 | 64% | 0.644 | S | S | . | * | trans | -82.8 | 88.9 | 170.7 | -165.2 | 0 | 0 | 0 | 0 | 109.3 | I105 C109 V112 | I105-V107 VanDerWaalsContact C-N 3.34Å; I105-V107 HydrophobicContact CG2-CG2 3.48Å; I105-V107 VanDerWaalsContact CG2-CG2 3.48Å; I105-V107 PolarHBondContact O-N 2.92Å; I105-V107 VanDerWaalsContact O-N 3.07Å; V107-C109 HydrophobicContact CG1-CB 4.34Å; V107-C109 PolarHBondContact O-N 3.49Å; V107-V112 HydrophobicContact CB-CG2 3.82Å; V107-V112 HydrophobicContact CG1-CG2 3.36Å | ||
| 108 | H | 52 | Low | 57.9 | Low | 188 Ų | 188 | 117 Ų | 117 | 87% | 0.87 | 62% | 0.623 | S | S | * | * | trans | -70.7 | 77.6 | 169.3 | -99.7 | -99.6 | 0 | 0 | 0 | 110.5 | T106 | T106-H108 PolarHBondContact O-N 3.3Å; T106-H108 VanDerWaalsContact O-N 3.12Å | ||
| 109 | C | 50.3 | Low | 59.1 | Low | 64 Ų | 64 | 113.3 Ų | 113.3 | 43% | 0.432 | 61% | 0.605 | S | S | . | * | trans | -142.4 | 120.6 | 168.4 | -135.9 | 0 | 0 | 0 | 0 | 108 | V107 Y111 V112 | V107-C109 HydrophobicContact CG1-CB 4.34Å; V107-C109 PolarHBondContact O-N 3.49Å; C109-Y111 PolarHBondContact O-N 3.44Å; C109-V112 HydrophobicContact CB-CG2 3.93Å; C109-V112 PolarHBondContact O-N 2.79Å | ||
| 110 | M | 53.7 | Low | 60.5 | Low | 176 Ų | 176 | 112 Ų | 112 | 87% | 0.867 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -54.3 | -14.8 | 175 | -63.1 | -145.6 | 85.7 | 0 | 0 | 112.8 | ||
| 111 | Y | 57.2 | Low | 61.8 | Low | 169 Ų | 169 | 110.3 Ų | 110.3 | 66% | 0.663 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -81.1 | -19.3 | 176 | -56.6 | -76.8 | 0 | 0 | 0 | 114.6 | C109 L113 F114 I115 | C109-Y111 PolarHBondContact O-N 3.44Å; Y111-L113 PolarHBondContact O-N 3.25Å; Y111-F114 WeakPolarHBondContact O-CB 3.41Å; Y111-F114 PolarHBondContact O-N 3.38Å; Y111-I115 VanDerWaalsContact O-CG1 3.27Å; Y111-I115 WeakPolarHBondContact O-CG1 3.39Å; Y111-I115 PolarHBondContact O-N 3.38Å |
| 112 | V | 61.7 | Low | 63.1 | Low | 64 Ų | 64 | 106.9 Ų | 106.9 | 39% | 0.388 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.9 | -42 | -178.6 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | V107 C109 F114 I115 L116 | V107-V112 HydrophobicContact CB-CG2 3.82Å; V107-V112 HydrophobicContact CG1-CG2 3.36Å; C109-V112 HydrophobicContact CB-CG2 3.93Å; C109-V112 PolarHBondContact O-N 2.79Å; V112-F114 VanDerWaalsContact C-N 3.31Å; V112-F114 PolarHBondContact O-N 2.88Å; V112-I115 PolarHBondContact O-N 3.26Å; V112-L116 VanDerWaalsContact O-CB 3.31Å; V112-L116 WeakPolarHBondContact O-CB 3.44Å; V112-L116 PolarHBondContact O-N 2.91Å |
| 113 | L | 65.1 | Low | 64.2 | Low | 118 Ų | 118 | 101.5 Ų | 101.5 | 62% | 0.618 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.7 | -41.2 | 173.9 | -88 | 148.4 | 0 | 0 | 0 | 111.3 | Y111 L116 F117 | Y111-L113 PolarHBondContact O-N 3.25Å; L113-L116 PolarHBondContact O-N 3.38Å; L113-F117 WeakPolarHBondContact O-CB 3.35Å; L113-F117 PolarHBondContact O-N 3.38Å |
| 114 | F | 68.9 | Low | 65.1 | Low | 117 Ų | 117 | 104.7 Ų | 104.7 | 51% | 0.513 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 176.2 | -179.1 | -104 | 0 | 0 | 0 | 111.7 | Y111 V112 F117 L118 | Y111-F114 WeakPolarHBondContact O-CB 3.41Å; Y111-F114 PolarHBondContact O-N 3.38Å; V112-F114 VanDerWaalsContact C-N 3.31Å; V112-F114 PolarHBondContact O-N 2.88Å; F114-F117 PolarHBondContact O-N 3.31Å; F114-L118 HydrophobicContact CD1-CD1 3.84Å; F114-L118 HydrophobicContact CD1-CG 4.4Å; F114-L118 HydrophobicContact CE1-CD1 3.32Å; F114-L118 HydrophobicContact CE1-CG 4.09Å; F114-L118 HydrophobicContact CE2-CD1 4.44Å; F114-L118 HydrophobicContact CE2-CG 4.4Å; F114-L118 HydrophobicContact CZ-CD1 3.67Å; F114-L118 HydrophobicContact CZ-CD2 4.26Å; F114-L118 HydrophobicContact CZ-CG 4.08Å; F114-L118 WeakPolarHBondContact O-CB 3.3Å; F114-L118 VanDerWaalsContact O-CG 3.31Å; F114-L118 WeakPolarHBondContact O-CG 3.27Å; F114-L118 PolarHBondContact O-N 3.43Å |
| 115 | I | 72.3 | Confident | 66.1 | Low | 91 Ų | 91 | 106.3 Ų | 106.3 | 47% | 0.467 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.4 | -41.5 | 178.2 | -62.2 | -59.7 | 0 | 0 | 0 | 111.5 | Y111 V112 F117 L118 F119 | Y111-I115 VanDerWaalsContact O-CG1 3.27Å; Y111-I115 WeakPolarHBondContact O-CG1 3.39Å; Y111-I115 PolarHBondContact O-N 3.38Å; V112-I115 PolarHBondContact O-N 3.26Å; I115-F117 VanDerWaalsContact C-N 3.35Å; I115-L118 PolarHBondContact O-N 2.95Å; I115-F119 WeakPolarHBondContact O-CB 3.35Å; I115-F119 PolarHBondContact O-N 3.38Å |
| 116 | L | 75.1 | Confident | 66.6 | Low | 88 Ų | 88 | 104.4 Ų | 104.4 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 175.3 | -174.7 | 65 | 0 | 0 | 0 | 111.5 | F15 V112 L113 F119 F120 | F15-L116 HydrophobicContact CE2-CD2 4.28Å; V112-L116 VanDerWaalsContact O-CB 3.31Å; V112-L116 WeakPolarHBondContact O-CB 3.44Å; V112-L116 PolarHBondContact O-N 2.91Å; L113-L116 PolarHBondContact O-N 3.38Å; L116-F119 PolarHBondContact O-N 3.14Å; L116-F120 WeakPolarHBondContact O-CB 3.41Å; L116-F120 PolarHBondContact O-N 3.27Å |
| 117 | F | 75.4 | Confident | 67.3 | Low | 129 Ų | 129 | 103.2 Ų | 103.2 | 57% | 0.566 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64 | -46.4 | 175.8 | -179.3 | -96.8 | 0 | 0 | 0 | 111.2 | L113 F114 I115 F119 F120 C121 | L113-F117 WeakPolarHBondContact O-CB 3.35Å; L113-F117 PolarHBondContact O-N 3.38Å; F114-F117 PolarHBondContact O-N 3.31Å; I115-F117 VanDerWaalsContact C-N 3.35Å; F117-F119 VanDerWaalsContact C-N 3.32Å; F117-F119 PolarHBondContact O-N 3.45Å; F117-F120 PolarHBondContact O-N 3.44Å; F117-C121 WeakPolarHBondContact CE1-SG 3.38Å; F117-C121 VanDerWaalsContact CZ-SG 3.52Å; F117-C121 WeakPolarHBondContact O-CB 3.13Å; F117-C121 PolarHBondContact O-N 3.13Å; F117-C121 PolarHBondContact O-SG 2.91Å; F117-C121 VanDerWaalsContact O-SG 3.33Å |
| 118 | L | 75.9 | Confident | 67.7 | Low | 71 Ų | 71 | 102.9 Ų | 102.9 | 37% | 0.372 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 174.2 | -73.5 | 178.7 | 0 | 0 | 0 | 111.1 | F114 I115 F120 C121 I122 | F114-L118 HydrophobicContact CD1-CD1 3.84Å; F114-L118 HydrophobicContact CD1-CG 4.4Å; F114-L118 HydrophobicContact CE1-CD1 3.32Å; F114-L118 HydrophobicContact CE1-CG 4.09Å; F114-L118 HydrophobicContact CE2-CD1 4.44Å; F114-L118 HydrophobicContact CE2-CG 4.4Å; F114-L118 HydrophobicContact CZ-CD1 3.67Å; F114-L118 HydrophobicContact CZ-CD2 4.26Å; F114-L118 HydrophobicContact CZ-CG 4.08Å; F114-L118 WeakPolarHBondContact O-CB 3.3Å; F114-L118 VanDerWaalsContact O-CG 3.31Å; F114-L118 WeakPolarHBondContact O-CG 3.27Å; F114-L118 PolarHBondContact O-N 3.43Å; I115-L118 PolarHBondContact O-N 2.95Å; L118-F120 VanDerWaalsContact C-N 3.33Å; L118-F120 PolarHBondContact O-N 2.97Å; L118-C121 PolarHBondContact O-N 3.26Å; L118-I122 WeakPolarHBondContact O-CB 3.33Å; L118-I122 VanDerWaalsContact O-CD1 3.28Å; L118-I122 WeakPolarHBondContact O-CD1 3.44Å; L118-I122 VanDerWaalsContact O-CG1 3.25Å; L118-I122 WeakPolarHBondContact O-CG1 3.39Å; L118-I122 PolarHBondContact O-N 3.39Å |
| 119 | F | 76.8 | Confident | 67.9 | Low | 93 Ų | 93 | 99.1 Ų | 99.1 | 41% | 0.408 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.4 | -45.6 | 176.8 | -172.6 | -95.7 | 0 | 0 | 0 | 111.7 | I89 I115 L116 F117 I122 I123 | I89-F119 HydrophobicContact CD1-CD2 4.49Å; I89-F119 HydrophobicContact CD1-CE2 4.07Å; I115-F119 WeakPolarHBondContact O-CB 3.35Å; I115-F119 PolarHBondContact O-N 3.38Å; L116-F119 PolarHBondContact O-N 3.14Å; F117-F119 VanDerWaalsContact C-N 3.32Å; F117-F119 PolarHBondContact O-N 3.45Å; F119-I122 PolarHBondContact O-N 3.39Å; F119-I123 HydrophobicContact CD1-CD1 4.35Å; F119-I123 HydrophobicContact CD1-CG1 3.98Å; F119-I123 HydrophobicContact CE1-CD1 3.61Å; F119-I123 HydrophobicContact CE1-CG1 3.75Å; F119-I123 HydrophobicContact CZ-CD1 3.74Å; F119-I123 HydrophobicContact CZ-CG1 4.15Å; F119-I123 WeakPolarHBondContact O-CG1 3.47Å; F119-I123 PolarHBondContact O-N 2.83Å |
| 120 | F | 75.7 | Confident | 68.2 | Low | 107 Ų | 107 | 101.7 Ų | 101.7 | 47% | 0.469 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 177.6 | -168.8 | -95.5 | 0 | 0 | 0 | 112.2 | F12 L116 F117 L118 I122 I123 L124 | F12-F120 HydrophobicContact CE2-CE2 4.41Å; F12-F120 HydrophobicContact CE2-CZ 4.43Å; L116-F120 WeakPolarHBondContact O-CB 3.41Å; L116-F120 PolarHBondContact O-N 3.27Å; F117-F120 PolarHBondContact O-N 3.44Å; L118-F120 VanDerWaalsContact C-N 3.33Å; L118-F120 PolarHBondContact O-N 2.97Å; F120-I122 VanDerWaalsContact C-N 3.33Å; F120-I122 PolarHBondContact O-N 3.22Å; F120-I123 PolarHBondContact O-N 2.73Å; F120-L124 HydrophobicContact CE1-CD1 3.76Å; F120-L124 HydrophobicContact CZ-CD1 4.17Å; F120-L124 WeakPolarHBondContact O-CB 3.39Å; F120-L124 PolarHBondContact O-N 3.35Å |
| 121 | C | 75.1 | Confident | 67.9 | Low | 47 Ų | 47 | 100.3 Ų | 100.3 | 32% | 0.318 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 176.5 | -75 | 0 | 0 | 0 | 0 | 112.1 | F117 L118 L124 K125 | F117-C121 WeakPolarHBondContact CE1-SG 3.38Å; F117-C121 VanDerWaalsContact CZ-SG 3.52Å; F117-C121 WeakPolarHBondContact O-CB 3.13Å; F117-C121 PolarHBondContact O-N 3.13Å; F117-C121 PolarHBondContact O-SG 2.91Å; F117-C121 VanDerWaalsContact O-SG 3.33Å; L118-C121 PolarHBondContact O-N 3.26Å; C121-L124 PolarHBondContact O-N 3.26Å; C121-K125 WeakPolarHBondContact O-CB 3.42Å; C121-K125 WeakPolarHBondContact O-CG 3.09Å; C121-K125 PolarHBondContact O-N 3.45Å |
| 122 | I | 75 | Confident | 67.2 | Low | 51 Ų | 51 | 105.7 Ų | 105.7 | 26% | 0.262 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.8 | -51.4 | 174.4 | -77.1 | 157 | 0 | 0 | 0 | 110.1 | Y78 L118 F119 F120 L124 K125 L126 | Y78-I122 HydrophobicContact CE2-CD1 3.8Å; Y78-I122 HydrophobicContact CE2-CG1 4.25Å; Y78-I122 WeakPolarHBondContact OH-CD1 3.22Å; Y78-I122 WeakPolarHBondContact OH-CG1 3.4Å; Y78-I122 WeakPolarHBondContact OH-CG2 3.31Å; L118-I122 WeakPolarHBondContact O-CB 3.33Å; L118-I122 VanDerWaalsContact O-CD1 3.28Å; L118-I122 WeakPolarHBondContact O-CD1 3.44Å; L118-I122 VanDerWaalsContact O-CG1 3.25Å; L118-I122 WeakPolarHBondContact O-CG1 3.39Å; L118-I122 PolarHBondContact O-N 3.39Å; F119-I122 PolarHBondContact O-N 3.39Å; F120-I122 VanDerWaalsContact C-N 3.33Å; F120-I122 PolarHBondContact O-N 3.22Å; I122-L124 VanDerWaalsContact C-N 3.31Å; I122-L124 PolarHBondContact O-N 2.62Å; I122-K125 PolarHBondContact O-N 3.43Å; I122-L126 HydrophobicContact CG2-CD1 3.71Å; I122-L126 HydrophobicContact CG2-CG 4.4Å; I122-L126 WeakPolarHBondContact O-CB 3.45Å; I122-L126 VanDerWaalsContact O-CG 3.26Å; I122-L126 WeakPolarHBondContact O-CG 3.36Å; I122-L126 PolarHBondContact O-N 3.4Å |
| 123 | I | 77.1 | Confident | 67.4 | Low | 65 Ų | 65 | 107.8 Ų | 107.8 | 33% | 0.333 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.1 | -45.8 | -179.7 | -65.1 | -108.8 | 0 | 0 | 0 | 109.8 | F119 F120 L126 T127 | F119-I123 HydrophobicContact CD1-CD1 4.35Å; F119-I123 HydrophobicContact CD1-CG1 3.98Å; F119-I123 HydrophobicContact CE1-CD1 3.61Å; F119-I123 HydrophobicContact CE1-CG1 3.75Å; F119-I123 HydrophobicContact CZ-CD1 3.74Å; F119-I123 HydrophobicContact CZ-CG1 4.15Å; F119-I123 WeakPolarHBondContact O-CG1 3.47Å; F119-I123 PolarHBondContact O-N 2.83Å; F120-I123 PolarHBondContact O-N 2.73Å; I123-L126 PolarHBondContact O-N 3.45Å; I123-T127 WeakPolarHBondContact O-CB 3.39Å; I123-T127 PolarHBondContact O-N 3.47Å; I123-T127 PolarHBondContact O-OG1 3.46Å |
| 124 | L | 71.5 | Confident | 67.6 | Low | 101 Ų | 101 | 107.3 Ų | 107.3 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | -178.4 | -164.6 | 129.8 | 0 | 0 | 0 | 111.8 | F120 C121 I122 S128 | F120-L124 HydrophobicContact CE1-CD1 3.76Å; F120-L124 HydrophobicContact CZ-CD1 4.17Å; F120-L124 WeakPolarHBondContact O-CB 3.39Å; F120-L124 PolarHBondContact O-N 3.35Å; C121-L124 PolarHBondContact O-N 3.26Å; I122-L124 VanDerWaalsContact C-N 3.31Å; I122-L124 PolarHBondContact O-N 2.62Å; L124-S128 VanDerWaalsContact O-CB 3.31Å; L124-S128 WeakPolarHBondContact O-CB 3.36Å; L124-S128 PolarHBondContact O-N 3.12Å |
| 125 | K | 73.5 | Confident | 67.5 | Low | 151 Ų | 151 | 106.7 Ų | 106.7 | 66% | 0.657 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.9 | -42.1 | 172.7 | -82.7 | -73.4 | -174.4 | 179.1 | 0 | 112.2 | C121 I122 S128 V129 | C121-K125 WeakPolarHBondContact O-CB 3.42Å; C121-K125 WeakPolarHBondContact O-CG 3.09Å; C121-K125 PolarHBondContact O-N 3.45Å; I122-K125 PolarHBondContact O-N 3.43Å; K125-S128 PolarHBondContact O-N 3.36Å; K125-V129 VanDerWaalsContact O-CG2 3.25Å; K125-V129 WeakPolarHBondContact O-CG2 3.48Å; K125-V129 PolarHBondContact O-N 3.42Å; K125-V129 VanDerWaalsContact O-N 3.09Å |
| 126 | L | 64.5 | Low | 67.2 | Low | 100 Ų | 100 | 107.6 Ų | 107.6 | 52% | 0.524 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 177.1 | -72.9 | 170.7 | 0 | 0 | 0 | 111.8 | I122 I123 V129 T130 | I122-L126 HydrophobicContact CG2-CD1 3.71Å; I122-L126 HydrophobicContact CG2-CG 4.4Å; I122-L126 WeakPolarHBondContact O-CB 3.45Å; I122-L126 VanDerWaalsContact O-CG 3.26Å; I122-L126 WeakPolarHBondContact O-CG 3.36Å; I122-L126 PolarHBondContact O-N 3.4Å; I123-L126 PolarHBondContact O-N 3.45Å; L126-V129 PolarHBondContact O-N 3.35Å; L126-T130 PolarHBondContact O-N 3.05Å; L126-T130 VanDerWaalsContact O-N 3.07Å; L126-T130 PolarHBondContact O-OG1 3.22Å |
| 127 | T | 65.8 | Low | 66.7 | Low | 88 Ų | 88 | 108.9 Ų | 108.9 | 54% | 0.54 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.4 | -44.8 | 175.7 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | I123 V129 T130 D131 | I123-T127 WeakPolarHBondContact O-CB 3.39Å; I123-T127 PolarHBondContact O-N 3.47Å; I123-T127 PolarHBondContact O-OG1 3.46Å; T127-V129 VanDerWaalsContact C-N 3.25Å; T127-V129 PolarHBondContact O-N 3.29Å; T127-T130 PolarHBondContact O-N 2.87Å; T127-D131 PolarHBondContact O-N 3.25Å |
| 128 | S | 58.8 | Low | 66.1 | Low | 82 Ų | 82 | 107.5 Ų | 107.5 | 57% | 0.573 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.3 | -28.8 | 177.3 | 179.3 | 0 | 0 | 0 | 0 | 113.5 | L124 K125 | L124-S128 VanDerWaalsContact O-CB 3.31Å; L124-S128 WeakPolarHBondContact O-CB 3.36Å; L124-S128 PolarHBondContact O-N 3.12Å; K125-S128 PolarHBondContact O-N 3.36Å |
| 129 | V | 56.7 | Low | 65.4 | Low | 109 Ų | 109 | 110.1 Ų | 110.1 | 66% | 0.661 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -82.1 | -21.3 | 175.6 | 172.4 | 0 | 0 | 0 | 0 | 111.9 | K125 L126 T127 | K125-V129 VanDerWaalsContact O-CG2 3.25Å; K125-V129 WeakPolarHBondContact O-CG2 3.48Å; K125-V129 PolarHBondContact O-N 3.42Å; K125-V129 VanDerWaalsContact O-N 3.09Å; L126-V129 PolarHBondContact O-N 3.35Å; T127-V129 VanDerWaalsContact C-N 3.25Å; T127-V129 PolarHBondContact O-N 3.29Å |
| 130 | T | 55.6 | Low | 64.6 | Low | 118 Ų | 118 | 111.5 Ų | 111.5 | 72% | 0.724 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -85.3 | -13.3 | 179.8 | -52.7 | 0 | 0 | 0 | 0 | 112.6 | L126 T127 | L126-T130 PolarHBondContact O-N 3.05Å; L126-T130 VanDerWaalsContact O-N 3.07Å; L126-T130 PolarHBondContact O-OG1 3.22Å; T127-T130 PolarHBondContact O-N 2.87Å |
| 131 | D | 48.7 | Very low | 63.6 | Low | 148 Ų | 148 | 111.8 Ų | 111.8 | 79% | 0.791 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 14.1 | -178.4 | -151.7 | -111.3 | 0 | 0 | 0 | 114.1 | T127 | T127-D131 PolarHBondContact O-N 3.25Š|
| 132 | Y | 41.4 | Very low | 62.6 | Low | 282 Ų | 282 | 117.7 Ų | 117.7 | 100% | 1.106 | 61% | 0.609 | S | S | * | * | trans | -121.9 | 0 | 175.7 | -131.9 | -83.7 | 0 | 0 | 0 | 110.8 |
Retrieved 132 of 132 residues in 31.3 ms
(Link to these results)