| 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 | 51.3 | Low | 55.2 | Low | 212 Ų | 212 | 138.3 Ų | 138.3 | 100% | 1.044 | 69% | 0.693 | S | S | * | * | 0 | -12.1 | 0 | -109.2 | 163.5 | 110 | 0 | 0 | 115.5 | |||||
| 2 | V | 51.4 | Low | 55 | Low | 113 Ų | 113 | 143.2 Ų | 143.2 | 69% | 0.685 | 70% | 0.697 | S | S | * | * | trans | -84.9 | -33.9 | -179.2 | -179.9 | 0 | 0 | 0 | 0 | 112.9 | I4 K5 | V2-I4 VanDerWaalsContact C-N 3.32Å; V2-I4 PolarHBondContact O-N 3.37Å; V2-K5 PolarHBondContact O-N 3.41Å | ||
| 3 | I | 54.8 | Low | 55 | Low | 140 Ų | 140 | 140.6 Ų | 140.6 | 72% | 0.718 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -64.9 | -33.9 | -177.3 | -60.7 | 170.1 | 0 | 0 | 0 | 112.1 | K5 L6 V7 | I3-K5 VanDerWaalsContact C-N 3.31Å; I3-K5 PolarHBondContact O-N 3.48Å; I3-L6 PolarHBondContact O-N 2.93Å; I3-V7 PolarHBondContact O-N 3.14Å |
| 4 | I | 58.3 | Low | 54.5 | Low | 132 Ų | 132 | 134.4 Ų | 134.4 | 68% | 0.677 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -68.1 | -30.8 | -179.6 | -59.9 | 168.8 | 0 | 0 | 0 | 111.6 | V2 S8 | V2-I4 VanDerWaalsContact C-N 3.32Å; V2-I4 PolarHBondContact O-N 3.37Å; I4-S8 PolarHBondContact O-N 3.03Å |
| 5 | K | 51.9 | Low | 54.1 | Low | 167 Ų | 167 | 131.7 Ų | 131.7 | 73% | 0.726 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -74.7 | -31.3 | 177.6 | -76.6 | -170.6 | 174.9 | -179.2 | 0 | 112.8 | V2 I3 S8 V9 | V2-K5 PolarHBondContact O-N 3.41Å; I3-K5 VanDerWaalsContact C-N 3.31Å; I3-K5 PolarHBondContact O-N 3.48Å; K5-S8 PolarHBondContact O-N 3.32Å; K5-V9 WeakPolarHBondContact O-CG2 3.44Å; K5-V9 PolarHBondContact O-N 3.46Å |
| 6 | L | 53.9 | Low | 53.8 | Low | 115 Ų | 115 | 138.2 Ų | 138.2 | 60% | 0.602 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -70.4 | -38.9 | 178.1 | -101 | 146 | 0 | 0 | 0 | 112.6 | I3 S8 V9 W10 | I3-L6 PolarHBondContact O-N 2.93Å; L6-S8 VanDerWaalsContact C-N 3.32Å; L6-S8 PolarHBondContact O-N 2.97Å; L6-V9 PolarHBondContact O-N 2.92Å; L6-W10 PolarHBondContact O-N 3.38Å |
| 7 | V | 58 | Low | 53.4 | Low | 98 Ų | 98 | 135.8 Ų | 135.8 | 59% | 0.594 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -65.7 | -35.1 | 176.3 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | I3 K11 | I3-V7 PolarHBondContact O-N 3.14Å; V7-K11 PolarHBondContact O-N 2.96Å |
| 8 | S | 58.3 | Low | 52.6 | Low | 71 Ų | 71 | 138.9 Ų | 138.9 | 50% | 0.497 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -64.8 | -37 | 175.1 | 163.4 | 0 | 0 | 0 | 0 | 113.1 | I4 K5 L6 R12 | I4-S8 PolarHBondContact O-N 3.03Å; K5-S8 PolarHBondContact O-N 3.32Å; L6-S8 VanDerWaalsContact C-N 3.32Å; L6-S8 PolarHBondContact O-N 2.97Å; S8-R12 PolarHBondContact O-N 3.15Å |
| 9 | V | 59.7 | Low | 51.7 | Low | 82 Ų | 82 | 138.3 Ų | 138.3 | 50% | 0.497 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -72.6 | -38.7 | -179.8 | 173.5 | 0 | 0 | 0 | 0 | 111 | K5 L6 R12 I13 | K5-V9 WeakPolarHBondContact O-CG2 3.44Å; K5-V9 PolarHBondContact O-N 3.46Å; L6-V9 PolarHBondContact O-N 2.92Å; V9-R12 PolarHBondContact O-N 2.72Å; V9-I13 HydrophobicContact CG1-CD1 4.02Å; V9-I13 WeakPolarHBondContact O-CG1 3.29Å; V9-I13 PolarHBondContact O-N 3.32Å |
| 10 | W | 55 | Low | 51.3 | Low | 212 Ų | 212 | 140.9 Ų | 140.9 | 80% | 0.803 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -66.4 | -38.2 | 175.9 | -107.7 | 56.2 | 0 | 0 | 0 | 113.2 | L6 R12 I13 G14 | L6-W10 PolarHBondContact O-N 3.38Å; W10-R12 PolarHBondContact O-N 2.95Å; W10-I13 PolarHBondContact O-N 3.39Å; W10-G14 PolarHBondContact O-N 3.45Å; W10-G14 VanDerWaalsContact O-N 3.15Å |
| 11 | K | 54.4 | Low | 50.8 | Low | 179 Ų | 179 | 145.7 Ų | 145.7 | 78% | 0.778 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -64.7 | -26.7 | 175.7 | -138.2 | 176.5 | -172.6 | 179.9 | 0 | 112.8 | V7 | V7-K11 PolarHBondContact O-N 2.96Å |
| 12 | R | 52.6 | Low | 50.2 | Low | 197 Ų | 197 | 140.4 Ų | 140.4 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -82.3 | -23 | 178.2 | -166.7 | 173.9 | -88.1 | 179.1 | -6.9 | 112.9 | S8 V9 W10 | S8-R12 PolarHBondContact O-N 3.15Å; V9-R12 PolarHBondContact O-N 2.72Å; W10-R12 PolarHBondContact O-N 2.95Å |
| 13 | I | 55.4 | Low | 49.9 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 56% | 0.564 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -85.9 | -36.1 | 178.2 | -67.8 | 165.2 | 0 | 0 | 0 | 111.2 | V9 W10 S15 | V9-I13 HydrophobicContact CG1-CD1 4.02Å; V9-I13 WeakPolarHBondContact O-CG1 3.29Å; V9-I13 PolarHBondContact O-N 3.32Å; W10-I13 PolarHBondContact O-N 3.39Å; I13-S15 PolarHBondContact O-N 3.27Å |
| 14 | G | 48.3 | Very low | 49.2 | Very low | 53 Ų | 53 | 141.7 Ų | 141.7 | 55% | 0.546 | 72% | 0.723 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.3 | -12 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | W10 | W10-G14 PolarHBondContact O-N 3.45Å; W10-G14 VanDerWaalsContact O-N 3.15Å |
| 15 | S | 48.6 | Very low | 48.2 | Very low | 95 Ų | 95 | 145 Ų | 145 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -7.8 | -177.3 | -178.3 | 0 | 0 | 0 | 0 | 114.3 | I13 | I13-S15 PolarHBondContact O-N 3.27Š|
| 16 | R | 48.4 | Very low | 47.5 | Very low | 235 Ų | 235 | 146.4 Ų | 146.4 | 89% | 0.887 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -102.1 | -1.4 | -174.2 | -78.3 | -170.9 | 173.5 | -175.2 | -1.7 | 115.2 | ||
| 17 | S | 47.3 | Very low | 46.7 | Very low | 98 Ų | 98 | 143.6 Ų | 143.6 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -113.3 | 3.4 | -172.8 | 29.5 | 0 | 0 | 0 | 0 | 115 | ||
| 18 | F | 38.5 | Very low | 45.8 | Very low | 191 Ų | 191 | 146.4 Ų | 146.4 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -133.2 | 82.1 | -173.9 | -130 | -95.3 | 0 | 0 | 0 | 110.7 | ||
| 19 | C | 36.1 | Very low | 45 | Very low | 127 Ų | 127 | 148.7 Ų | 148.7 | 86% | 0.858 | 76% | 0.757 | S | S | * | * | trans | 159.9 | 77.6 | 157.4 | -92 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 20 | K | 43.2 | Very low | 44.1 | Very low | 190 Ų | 190 | 151.3 Ų | 151.3 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -111.7 | 121.2 | 147.9 | -78.1 | -170.3 | 177.7 | -175.9 | 0 | 107.1 | ||||
| 21 | R | 41.2 | Very low | 43.3 | Very low | 242 Ų | 242 | 151.4 Ų | 151.4 | 91% | 0.913 | 77% | 0.77 | S | S | * | * | trans | -49.4 | 129.5 | -174.1 | -73.4 | 166.1 | 174.9 | 169.3 | -3 | 110.9 | A23 | R21-A23 PolarHBondContact O-N 2.91Å; R21-A23 VanDerWaalsContact O-N 3.12Å | ||
| 22 | A | 38.4 | Very low | 43.1 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | trans | -59.9 | 110.3 | 155.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | E24 | A22-E24 PolarHBondContact O-N 2.88Š| ||
| 23 | A | 45.7 | Very low | 42.6 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 79% | 0.793 | 76% | 0.758 | S | S | * | * | trans | -71.2 | 126.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108 | R21 F25 | R21-A23 PolarHBondContact O-N 2.91Å; R21-A23 VanDerWaalsContact O-N 3.12Å; A23-F25 PolarHBondContact O-N 3.3Å | ||
| 24 | E | 40.7 | Very low | 42.4 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -53.5 | 124.8 | 176.9 | -69.1 | 178.1 | 147.4 | 0 | 0 | 111 | A22 K26 | A22-E24 PolarHBondContact O-N 2.88Å; E24-K26 PolarHBondContact O-N 2.98Å | ||
| 25 | F | 37 | Very low | 42.7 | Very low | 202 Ų | 202 | 154 Ų | 154 | 89% | 0.886 | 79% | 0.79 | S | S | * | * | trans | -72.6 | 91.7 | 173.3 | -165.5 | -95.4 | 0 | 0 | 0 | 108.6 | A23 | A23-F25 PolarHBondContact O-N 3.3Š| ||
| 26 | K | 36.5 | Very low | 42.6 | Very low | 196 Ų | 196 | 156.7 Ų | 156.7 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | trans | -100.5 | 118.5 | 175.4 | -157 | 165.1 | -174.7 | 175.4 | 0 | 108.9 | E24 | E24-K26 PolarHBondContact O-N 2.98Š| ||
| 27 | G | 37.7 | Very low | 42.6 | Very low | 56 Ų | 56 | 150 Ų | 150 | 58% | 0.577 | 78% | 0.778 | S | S | * | * | trans | -49.7 | 145.1 | -163.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 28 | M | 37.6 | Very low | 42.9 | Very low | 157 Ų | 157 | 150 Ų | 150 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -177.3 | 115.8 | 132.7 | -95.7 | 170.9 | 99.9 | 0 | 0 | 108 | Y31 | M28-Y31 HydrophobicContact CE-CD2 3.6Å; M28-Y31 HydrophobicContact CE-CE2 3.98Å; M28-Y31 HydrophobicContact CE-CG 4.42Å | ||
| 29 | V | 42.1 | Very low | 43.6 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | trans | -98.4 | 112.2 | 171.1 | 175.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 30 | N | 40.2 | Very low | 44.3 | Very low | 138 Ų | 138 | 151.6 Ų | 151.6 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | 58.9 | 88.9 | 161.7 | -54.7 | -27.3 | 0 | 0 | 0 | 118.3 | ||||
| 31 | Y | 39.9 | Very low | 44.9 | Very low | 214 Ų | 214 | 151 Ų | 151 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | -116.7 | 75.5 | 156.4 | -85 | -87 | 0 | 0 | 0 | 110.4 | M28 | M28-Y31 HydrophobicContact CE-CD2 3.6Å; M28-Y31 HydrophobicContact CE-CE2 3.98Å; M28-Y31 HydrophobicContact CE-CG 4.42Å | ||
| 32 | G | 49.1 | Very low | 46.1 | Very low | 52 Ų | 52 | 140 Ų | 140 | 54% | 0.536 | 72% | 0.721 | S | S | . | * | S | Bend | trans | -142.3 | 151.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 33 | P | 42.3 | Very low | 47.5 | Very low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | trans | -58.9 | 138.5 | 179.3 | -17 | 29.5 | 0 | 0 | 0 | 111.2 | E35 | P33-E35 PolarHBondContact O-N 2.63Š| ||
| 34 | R | 52.2 | Low | 48.4 | Very low | 253 Ų | 253 | 137.5 Ų | 137.5 | 96% | 0.955 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -8.2 | -173.6 | -103.1 | -178.9 | 179.7 | 178.9 | -0.2 | 116 | ||
| 35 | E | 52.8 | Low | 49.5 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 82% | 0.818 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -15.6 | -171.3 | -59.8 | -174.5 | -171.2 | 0 | 0 | 113.8 | P33 | P33-E35 PolarHBondContact O-N 2.63Š|
| 36 | H | 48.1 | Very low | 50.5 | Low | 153 Ų | 153 | 133.6 Ų | 133.6 | 71% | 0.708 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -133 | 106.8 | 167.8 | -73.7 | -72.2 | 0 | 0 | 0 | 108.3 | V38 | H36-V38 VanDerWaalsContact C-N 3.34Å; H36-V38 PolarHBondContact O-N 2.73Å |
| 37 | P | 48.9 | Very low | 51.5 | Low | 93 Ų | 93 | 129.7 Ų | 129.7 | 60% | 0.604 | 65% | 0.654 | S | S | * | * | trans | -60.2 | 106.4 | 167.4 | 25.8 | -31 | 0 | 0 | 0 | 106.4 | F39 | P37-F39 HydrophobicContact CB-CE2 4.42Å; P37-F39 HydrophobicContact CB-CZ 4.49Å; P37-F39 HydrophobicContact CG-CE2 3.96Å; P37-F39 HydrophobicContact CG-CZ 4.16Å; P37-F39 PolarHBondContact O-N 2.73Å | ||
| 38 | V | 52.7 | Low | 52.4 | Low | 100 Ų | 100 | 130 Ų | 130 | 61% | 0.606 | 65% | 0.65 | S | S | * | * | trans | -69.7 | 85.4 | 163.9 | -173.7 | 0 | 0 | 0 | 0 | 104 | H36 W40 | H36-V38 VanDerWaalsContact C-N 3.34Å; H36-V38 PolarHBondContact O-N 2.73Å; V38-W40 PolarHBondContact O-N 2.87Å; V38-W40 VanDerWaalsContact O-N 3.12Å | ||
| 39 | F | 53 | Low | 53.2 | Low | 166 Ų | 166 | 126.5 Ų | 126.5 | 73% | 0.728 | 63% | 0.632 | S | S | * | * | trans | -47.4 | 125.8 | 164.3 | -68.2 | -75.9 | 0 | 0 | 0 | 105.6 | P37 K41 | P37-F39 HydrophobicContact CB-CE2 4.42Å; P37-F39 HydrophobicContact CB-CZ 4.49Å; P37-F39 HydrophobicContact CG-CE2 3.96Å; P37-F39 HydrophobicContact CG-CZ 4.16Å; P37-F39 PolarHBondContact O-N 2.73Å; F39-K41 PolarHBondContact O-N 3.12Å | ||
| 40 | W | 51.5 | Low | 53.9 | Low | 185 Ų | 185 | 121.9 Ų | 121.9 | 70% | 0.701 | 61% | 0.609 | S | S | * | * | trans | -39.8 | 109.4 | 179.7 | 173.6 | 84.7 | 0 | 0 | 0 | 108.7 | V38 G42 W46 | V38-W40 PolarHBondContact O-N 2.87Å; V38-W40 VanDerWaalsContact O-N 3.12Å; W40-G42 PolarHBondContact O-N 3.12Å; W40-G42 VanDerWaalsContact O-N 3.15Å; W40-W46 HydrophobicContact CH2-CD2 4.46Å; W40-W46 AromaticContact CH2-CE3 3.95Å; W40-W46 HydrophobicContact CH2-CE3 3.95Å; W40-W46 HydrophobicContact CH2-CZ3 4.03Å | ||
| 41 | K | 56 | Low | 54.9 | Low | 177 Ų | 177 | 123.3 Ų | 123.3 | 77% | 0.77 | 61% | 0.611 | S | S | * | * | trans | -78.4 | 103.5 | 172.2 | -73 | -173.8 | 179.8 | -179.1 | 0 | 104 | F39 | F39-K41 PolarHBondContact O-N 3.12Š| ||
| 42 | G | 66.2 | Low | 55.9 | Low | 11 Ų | 11 | 119 Ų | 119 | 11% | 0.113 | 60% | 0.597 | C | S | . | * | trans | -50.5 | 148.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | W40 | W40-G42 PolarHBondContact O-N 3.12Å; W40-G42 VanDerWaalsContact O-N 3.15Å | ||
| 43 | P | 66.5 | Low | 56.6 | Low | 39 Ų | 39 | 122.3 Ų | 122.3 | 25% | 0.253 | 59% | 0.594 | S | S | . | * | trans | -52.9 | 141.4 | -179.9 | 24.3 | -33 | 0 | 0 | 0 | 108.7 | E45 W46 | P43-E45 HydrophobicContact CB-CG 3.77Å; P43-E45 HydrophobicContact CG-CG 4.24Å; P43-E45 PolarHBondContact O-N 3.31Å; P43-W46 VanDerWaalsContact CG-CD1 3.45Å; P43-W46 HydrophobicContact CG-CD2 4.21Å; P43-W46 HydrophobicContact CG-CG 3.86Å; P43-W46 WeakPolarHBondContact O-CB 3.46Å; P43-W46 PolarHBondContact O-N 2.89Å | ||
| 44 | P | 64.9 | Low | 57.7 | Low | 105 Ų | 105 | 120.4 Ų | 120.4 | 68% | 0.682 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -58.7 | -23.9 | -167.8 | 21.2 | -32.7 | 0 | 0 | 0 | 113.2 | W46 L47 A48 | P44-W46 VanDerWaalsContact C-N 3.26Å; P44-W46 PolarHBondContact O-N 3.38Å; P44-L47 PolarHBondContact O-N 3.12Å; P44-A48 PolarHBondContact O-N 3.38Å |
| 45 | E | 64.7 | Low | 58.4 | Low | 136 Ų | 136 | 117 Ų | 117 | 64% | 0.636 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -57.4 | -32.7 | 169.6 | 30.9 | -178.3 | 175.8 | 0 | 0 | 113.6 | P43 E49 | P43-E45 HydrophobicContact CB-CG 3.77Å; P43-E45 HydrophobicContact CG-CG 4.24Å; P43-E45 PolarHBondContact O-N 3.31Å; E45-E49 WeakPolarHBondContact O-CB 3.09Å; E45-E49 PolarHBondContact O-N 2.96Å |
| 46 | W | 56.8 | Low | 59.1 | Low | 168 Ų | 168 | 110.6 Ų | 110.6 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -81.8 | -27.6 | 177.2 | -65.4 | 32 | 0 | 0 | 0 | 111.9 | W40 P43 P44 G50 | W40-W46 HydrophobicContact CH2-CD2 4.46Å; W40-W46 AromaticContact CH2-CE3 3.95Å; W40-W46 HydrophobicContact CH2-CE3 3.95Å; W40-W46 HydrophobicContact CH2-CZ3 4.03Å; P43-W46 VanDerWaalsContact CG-CD1 3.45Å; P43-W46 HydrophobicContact CG-CD2 4.21Å; P43-W46 HydrophobicContact CG-CG 3.86Å; P43-W46 WeakPolarHBondContact O-CB 3.46Å; P43-W46 PolarHBondContact O-N 2.89Å; P44-W46 VanDerWaalsContact C-N 3.26Å; P44-W46 PolarHBondContact O-N 3.38Å; W46-G50 WeakPolarHBondContact O-CA 3.32Å; W46-G50 PolarHBondContact O-N 2.83Å |
| 47 | L | 58.6 | Low | 60 | Low | 115 Ų | 115 | 111.7 Ų | 111.7 | 60% | 0.602 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -71.3 | -39.3 | 170.2 | -70.4 | 164.3 | 0 | 0 | 0 | 110.3 | P44 G50 E51 | P44-L47 PolarHBondContact O-N 3.12Å; L47-G50 PolarHBondContact O-N 2.91Å; L47-E51 PolarHBondContact O-N 3.1Å |
| 48 | A | 56.5 | Low | 61.1 | Low | 61 Ų | 61 | 117.6 Ų | 117.6 | 50% | 0.504 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.8 | -40.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P44 K52 | P44-A48 PolarHBondContact O-N 3.38Å; A48-K52 PolarHBondContact O-N 3.24Å |
| 49 | E | 54.5 | Low | 62.1 | Low | 85 Ų | 85 | 117.4 Ų | 117.4 | 40% | 0.397 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -74 | -28.7 | 173.8 | -157.4 | 98.1 | -129.9 | 0 | 0 | 111.6 | E45 K52 Y53 | E45-E49 WeakPolarHBondContact O-CB 3.09Å; E45-E49 PolarHBondContact O-N 2.96Å; E49-K52 WeakPolarHBondContact O-CB 3.34Å; E49-K52 PolarHBondContact O-N 3.34Å; E49-K52 IonicContact OE1-NZ 2.82Å; E49-K52 PolarHBondContact OE1-NZ 3.46Å; E49-Y53 HydrophobicContact CG-CD2 4.4Å; E49-Y53 PolarHBondContact O-N 3.33Å |
| 50 | G | 56.1 | Low | 62.7 | Low | 22 Ų | 22 | 112.6 Ų | 112.6 | 23% | 0.227 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -72.8 | -31.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | W46 L47 K52 Y53 | W46-G50 WeakPolarHBondContact O-CA 3.32Å; W46-G50 PolarHBondContact O-N 2.83Å; L47-G50 PolarHBondContact O-N 2.91Å; G50-K52 VanDerWaalsContact C-N 3.34Å; G50-Y53 CarbonylContact O-C 3.13Å |
| 51 | E | 61.1 | Low | 63.4 | Low | 168 Ų | 168 | 110.3 Ų | 110.3 | 79% | 0.785 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.9 | -36.4 | 166.8 | -82.4 | -170.5 | 157.4 | 0 | 0 | 111.6 | L47 Y53 | L47-E51 PolarHBondContact O-N 3.1Å; E51-Y53 VanDerWaalsContact C-N 3.3Å; E51-Y53 PolarHBondContact O-N 2.86Å |
| 52 | K | 62.4 | Low | 63.5 | Low | 124 Ų | 124 | 106.4 Ų | 106.4 | 54% | 0.539 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.8 | -29.6 | 177 | -176.7 | -177.5 | 164.5 | -159.4 | 0 | 112.7 | A48 E49 G50 | A48-K52 PolarHBondContact O-N 3.24Å; E49-K52 WeakPolarHBondContact O-CB 3.34Å; E49-K52 PolarHBondContact O-N 3.34Å; E49-K52 IonicContact OE1-NZ 2.82Å; E49-K52 PolarHBondContact OE1-NZ 3.46Å; G50-K52 VanDerWaalsContact C-N 3.34Å |
| 53 | Y | 63.1 | Low | 63.4 | Low | 121 Ų | 121 | 106.9 Ų | 106.9 | 48% | 0.475 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -130.1 | 83.8 | 174.2 | -59.3 | -74.9 | 0 | 0 | 0 | 110.1 | E49 G50 E51 F55 | E49-Y53 HydrophobicContact CG-CD2 4.4Å; E49-Y53 PolarHBondContact O-N 3.33Å; G50-Y53 CarbonylContact O-C 3.13Å; E51-Y53 VanDerWaalsContact C-N 3.3Å; E51-Y53 PolarHBondContact O-N 2.86Å; Y53-F55 PolarHBondContact O-N 3.45Å |
| 54 | P | 65.8 | Low | 63.3 | Low | 72 Ų | 72 | 112.3 Ų | 112.3 | 47% | 0.468 | 58% | 0.577 | S | S | . | * | trans | -60.8 | 111.7 | -179.5 | 24.6 | -33 | 0 | 0 | 0 | 109.2 | A56 | P54-A56 PolarHBondContact O-N 3.47Š| ||
| 55 | F | 66.6 | Low | 63.4 | Low | 180 Ų | 180 | 110.5 Ų | 110.5 | 79% | 0.789 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 123.5 | 174.9 | 57.1 | -87.9 | 0 | 0 | 0 | 108.4 | Y53 | Y53-F55 PolarHBondContact O-N 3.45Š|
| 56 | A | 67.3 | Low | 63.9 | Low | 42 Ų | 42 | 110.3 Ų | 110.3 | 35% | 0.347 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -101.2 | 124.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | P54 T59 | P54-A56 PolarHBondContact O-N 3.47Å; A56-T59 VanDerWaalsContact CB-OG1 3.3Å; A56-T59 WeakPolarHBondContact CB-OG1 3.31Å |
| 57 | Y | 67.7 | Low | 65 | Low | 175 Ų | 175 | 110 Ų | 110 | 69% | 0.686 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -97.3 | 122.6 | 177.5 | -178.2 | -113.2 | 0 | 0 | 0 | 110.1 | T59 | Y57-T59 PolarHBondContact O-N 3.38Å; Y57-T59 VanDerWaalsContact O-N 3.09Å |
| 58 | R | 72.2 | Confident | 66.2 | Low | 217 Ų | 217 | 111.1 Ų | 111.1 | 82% | 0.819 | 57% | 0.567 | S | S | * | * | S | Bend | trans | 60 | 11.5 | 179.2 | -60.2 | -179 | 177.2 | -152.9 | -0.2 | 115.9 | ||
| 59 | T | 72.6 | Confident | 67.5 | Low | 96 Ų | 96 | 112.4 Ų | 112.4 | 59% | 0.589 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -114.9 | 156 | 170.4 | 56.5 | 0 | 0 | 0 | 0 | 109.4 | A56 Y57 | A56-T59 VanDerWaalsContact CB-OG1 3.3Å; A56-T59 WeakPolarHBondContact CB-OG1 3.31Å; Y57-T59 PolarHBondContact O-N 3.38Å; Y57-T59 VanDerWaalsContact O-N 3.09Å |
| 60 | G | 65.6 | Low | 68.7 | Low | 66 Ų | 66 | 114.3 Ų | 114.3 | 68% | 0.68 | 57% | 0.569 | S | S | * | * | trans | -56.6 | 147.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110 | A62 | G60-A62 PolarHBondContact O-N 3.47Š| ||
| 61 | Y | 65.5 | Low | 70.3 | Confident | 136 Ų | 136 | 116.8 Ų | 116.8 | 53% | 0.533 | 58% | 0.577 | S | S | . | * | trans | -55.2 | 109.9 | -179.9 | -166.9 | -99.5 | 0 | 0 | 0 | 109.4 | G63 | Y61-G63 VanDerWaalsContact C-N 3.3Å; Y61-G63 WeakPolarHBondContact CD1-O 3.45Å; Y61-G63 WeakPolarHBondContact CE1-O 3.28Å | ||
| 62 | A | 59.6 | Low | 71.8 | Confident | 95 Ų | 95 | 110.8 Ų | 110.8 | 79% | 0.785 | 55% | 0.552 | S | S | * | * | trans | -82 | -10.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G60 | G60-A62 PolarHBondContact O-N 3.47Š| ||
| 63 | G | 63.7 | Low | 72.9 | Confident | 22 Ų | 22 | 108.2 Ų | 108.2 | 23% | 0.227 | 55% | 0.547 | C | S | . | . | S | Bend | trans | -78.9 | 145.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y61 | Y61-G63 VanDerWaalsContact C-N 3.3Å; Y61-G63 WeakPolarHBondContact CD1-O 3.45Å; Y61-G63 WeakPolarHBondContact CE1-O 3.28Å |
| 64 | E | 63.8 | Low | 74 | Confident | 153 Ų | 153 | 108 Ų | 108 | 72% | 0.715 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 127.3 | 163.3 | -67.9 | -159.5 | 153.2 | 0 | 0 | 108.4 | H66 | E64-H66 PolarHBondContact O-N 3.21Š|
| 65 | P | 67.8 | Low | 75.1 | Confident | 67 Ų | 67 | 110.9 Ų | 110.9 | 44% | 0.435 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -57 | 142.6 | 171.6 | 25.3 | -33.2 | 0 | 0 | 0 | 108.4 | K67 | P65-K67 PolarHBondContact O-N 2.92Å; P65-K67 VanDerWaalsContact O-N 3.08Å |
| 66 | H | 73.9 | Confident | 76.3 | Confident | 132 Ų | 132 | 109.2 Ų | 109.2 | 61% | 0.611 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -49 | 123.9 | -177.1 | -168 | -78.8 | 0 | 0 | 0 | 109.3 | E64 F68 D69 R70 | E64-H66 PolarHBondContact O-N 3.21Å; H66-F68 WeakPolarHBondContact ND1-CB 3.22Å; H66-F68 PolarHBondContact ND1-N 3.3Å; H66-F68 CarbonylContact O-C 3.59Å; H66-F68 PolarHBondContact O-N 2.99Å; H66-D69 HydrophobicContact CB-CB 4.17Å; H66-D69 WeakPolarHBondContact O-CA 3.39Å; H66-D69 WeakPolarHBondContact O-CB 3.12Å; H66-D69 PolarHBondContact O-N 3.29Å; H66-R70 PolarHBondContact O-N 2.95Å; H66-R70 VanDerWaalsContact O-N 3.08Å |
| 67 | K | 80.2 | Confident | 77.6 | Confident | 162 Ų | 162 | 112.1 Ų | 112.1 | 70% | 0.704 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -52.9 | -35.3 | -169.4 | -65.9 | -175.2 | 179.9 | -178.5 | 0 | 112.5 | P65 L71 | P65-K67 PolarHBondContact O-N 2.92Å; P65-K67 VanDerWaalsContact O-N 3.08Å; K67-L71 WeakPolarHBondContact O-CB 3.21Å; K67-L71 PolarHBondContact O-N 3.25Å |
| 68 | F | 85.1 | Confident | 78.8 | Confident | 137 Ų | 137 | 106.2 Ų | 106.2 | 60% | 0.601 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.8 | -42.5 | 174.4 | -172.5 | -100.8 | 0 | 0 | 0 | 113.4 | H66 L71 V72 | H66-F68 WeakPolarHBondContact ND1-CB 3.22Å; H66-F68 PolarHBondContact ND1-N 3.3Å; H66-F68 CarbonylContact O-C 3.59Å; H66-F68 PolarHBondContact O-N 2.99Å; F68-L71 WeakPolarHBondContact O-CB 3.36Å; F68-L71 PolarHBondContact O-N 2.88Å; F68-L71 VanDerWaalsContact O-N 3.16Å; F68-V72 HydrophobicContact CD1-CG2 4Å; F68-V72 HydrophobicContact CD2-CG2 4.48Å; F68-V72 HydrophobicContact CE1-CG2 3.58Å; F68-V72 HydrophobicContact CE2-CG2 4.1Å; F68-V72 HydrophobicContact CG-CG2 4.44Å; F68-V72 HydrophobicContact CZ-CG2 3.64Å; F68-V72 WeakPolarHBondContact O-CG2 3.29Å; F68-V72 PolarHBondContact O-N 3.44Å |
| 69 | D | 82.5 | Confident | 79.9 | Confident | 88 Ų | 88 | 97.9 Ų | 97.9 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 179.2 | -170.1 | 28.4 | 0 | 0 | 0 | 110.5 | H66 L71 V72 T73 | H66-D69 HydrophobicContact CB-CB 4.17Å; H66-D69 WeakPolarHBondContact O-CA 3.39Å; H66-D69 WeakPolarHBondContact O-CB 3.12Å; H66-D69 PolarHBondContact O-N 3.29Å; D69-L71 VanDerWaalsContact C-N 3.3Å; D69-L71 PolarHBondContact O-N 2.71Å; D69-V72 PolarHBondContact O-N 2.91Å; D69-T73 WeakPolarHBondContact O-CB 3.22Å; D69-T73 PolarHBondContact O-N 3.49Å; D69-T73 PolarHBondContact O-OG1 3.44Å |
| 70 | R | 81.2 | Confident | 81 | Confident | 125 Ų | 125 | 99.5 Ų | 99.5 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59 | -40.1 | 171.6 | -177.2 | 176.1 | 172.1 | 173.3 | -1.2 | 112.1 | H66 K74 | H66-R70 PolarHBondContact O-N 2.95Å; H66-R70 VanDerWaalsContact O-N 3.08Å; R70-K74 WeakPolarHBondContact O-CB 3.18Å; R70-K74 PolarHBondContact O-N 3.35Å |
| 71 | L | 89 | Confident | 82.4 | Confident | 74 Ų | 74 | 101.7 Ų | 101.7 | 39% | 0.387 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.4 | -47.7 | 179.4 | -170.6 | 94.4 | 0 | 0 | 0 | 111.4 | K67 F68 D69 Y75 Y76 | K67-L71 WeakPolarHBondContact O-CB 3.21Å; K67-L71 PolarHBondContact O-N 3.25Å; F68-L71 WeakPolarHBondContact O-CB 3.36Å; F68-L71 PolarHBondContact O-N 2.88Å; F68-L71 VanDerWaalsContact O-N 3.16Å; D69-L71 VanDerWaalsContact C-N 3.3Å; D69-L71 PolarHBondContact O-N 2.71Å; L71-Y75 HydrophobicContact CD1-CD2 4.24Å; L71-Y75 WeakPolarHBondContact O-CB 3.26Å; L71-Y75 PolarHBondContact O-N 3.4Å; L71-Y75 VanDerWaalsContact O-N 3.13Å; L71-Y76 HydrophobicContact CD2-CD2 4.32Å; L71-Y76 HydrophobicContact CD2-CE2 3.59Å; L71-Y76 HydrophobicContact CG-CD2 4.29Å; L71-Y76 HydrophobicContact CG-CE2 3.87Å; L71-Y76 PolarHBondContact O-N 2.86Å |
| 72 | V | 91.6 | Very high | 83.8 | Confident | 43 Ų | 43 | 102.6 Ų | 102.6 | 26% | 0.261 | 51% | 0.512 | S | S | . | . | I | π-helix | trans | -66.5 | -54.7 | -178 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | F68 D69 Y76 I77 | F68-V72 HydrophobicContact CD1-CG2 4Å; F68-V72 HydrophobicContact CD2-CG2 4.48Å; F68-V72 HydrophobicContact CE1-CG2 3.58Å; F68-V72 HydrophobicContact CE2-CG2 4.1Å; F68-V72 HydrophobicContact CG-CG2 4.44Å; F68-V72 HydrophobicContact CZ-CG2 3.64Å; F68-V72 WeakPolarHBondContact O-CG2 3.29Å; F68-V72 PolarHBondContact O-N 3.44Å; D69-V72 PolarHBondContact O-N 2.91Å; V72-Y76 WeakPolarHBondContact O-CB 3.45Å; V72-Y76 PolarHBondContact O-N 3.47Å; V72-I77 HydrophobicContact CG1-CD1 4.1Å; V72-I77 HydrophobicContact CG1-CG1 4.31Å; V72-I77 WeakPolarHBondContact O-CG1 3.47Å; V72-I77 PolarHBondContact O-N 3.31Å |
| 73 | T | 87.1 | Confident | 85.6 | Confident | 69 Ų | 69 | 100 Ų | 100 | 42% | 0.423 | 50% | 0.495 | S | S | . | . | I | π-helix | trans | -67.8 | -48.9 | -176.5 | 52.5 | 0 | 0 | 0 | 0 | 111.8 | D69 I77 S78 | D69-T73 WeakPolarHBondContact O-CB 3.22Å; D69-T73 PolarHBondContact O-N 3.49Å; D69-T73 PolarHBondContact O-OG1 3.44Å; T73-I77 HydrophobicContact CG2-CD1 4.47Å; T73-S78 PolarHBondContact O-N 2.82Å |
| 74 | K | 84.6 | Confident | 87 | Confident | 116 Ų | 116 | 105.6 Ų | 105.6 | 50% | 0.504 | 51% | 0.51 | S | S | . | . | I | π-helix | trans | -77 | -36.9 | -171.4 | -162.1 | 175.6 | -177.4 | 174.8 | 0 | 113.5 | R70 S78 | R70-K74 WeakPolarHBondContact O-CB 3.18Å; R70-K74 PolarHBondContact O-N 3.35Å; K74-S78 WeakPolarHBondContact O-CB 3.19Å |
| 75 | Y | 88.8 | Confident | 88.5 | Confident | 134 Ų | 134 | 102.6 Ų | 102.6 | 53% | 0.525 | 50% | 0.497 | S | S | . | . | I | π-helix | trans | -106.2 | -49.7 | -174.1 | -58.9 | -68.6 | 0 | 0 | 0 | 112.6 | L71 G79 | L71-Y75 HydrophobicContact CD1-CD2 4.24Å; L71-Y75 WeakPolarHBondContact O-CB 3.26Å; L71-Y75 PolarHBondContact O-N 3.4Å; L71-Y75 VanDerWaalsContact O-N 3.13Å; Y75-G79 VanDerWaalsContact O-CA 3.27Å; Y75-G79 WeakPolarHBondContact O-CA 3.35Å; Y75-G79 PolarHBondContact O-N 3.32Å |
| 76 | Y | 93 | Very high | 89.8 | Confident | 145 Ų | 145 | 104.6 Ų | 104.6 | 57% | 0.569 | 50% | 0.504 | S | S | * | . | I | π-helix | trans | -74.6 | -52.1 | -174.7 | -72.6 | -70.5 | 0 | 0 | 0 | 112.6 | L71 V72 L80 | L71-Y76 HydrophobicContact CD2-CD2 4.32Å; L71-Y76 HydrophobicContact CD2-CE2 3.59Å; L71-Y76 HydrophobicContact CG-CD2 4.29Å; L71-Y76 HydrophobicContact CG-CE2 3.87Å; L71-Y76 PolarHBondContact O-N 2.86Å; V72-Y76 WeakPolarHBondContact O-CB 3.45Å; V72-Y76 PolarHBondContact O-N 3.47Å; Y76-L80 VanDerWaalsContact O-CB 3.24Å; Y76-L80 WeakPolarHBondContact O-CB 3.24Å; Y76-L80 WeakPolarHBondContact O-CG 3.45Å; Y76-L80 PolarHBondContact O-N 2.92Å |
| 77 | I | 94.2 | Very high | 90.8 | Very high | 102 Ų | 102 | 104.2 Ų | 104.2 | 52% | 0.523 | 50% | 0.498 | S | S | . | . | I | π-helix | trans | -67.7 | -50.2 | -177.9 | -63 | 176.6 | 0 | 0 | 0 | 110 | V72 T73 G79 L80 F81 | V72-I77 HydrophobicContact CG1-CD1 4.1Å; V72-I77 HydrophobicContact CG1-CG1 4.31Å; V72-I77 WeakPolarHBondContact O-CG1 3.47Å; V72-I77 PolarHBondContact O-N 3.31Å; T73-I77 HydrophobicContact CG2-CD1 4.47Å; I77-G79 PolarHBondContact O-N 3.35Å; I77-L80 PolarHBondContact O-N 3.44Å; I77-F81 VanDerWaalsContact O-CB 3.26Å; I77-F81 WeakPolarHBondContact O-CB 3.42Å; I77-F81 PolarHBondContact O-N 3.17Å |
| 78 | S | 93.4 | Very high | 91.4 | Very high | 51 Ų | 51 | 100.7 Ų | 100.7 | 36% | 0.357 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 177.2 | -173.8 | 0 | 0 | 0 | 0 | 112.1 | T73 K74 F81 W82 | T73-S78 PolarHBondContact O-N 2.82Å; K74-S78 WeakPolarHBondContact O-CB 3.19Å; S78-F81 PolarHBondContact O-N 3.29Å; S78-W82 PolarHBondContact O-N 3.26Å |
| 79 | G | 94.3 | Very high | 91.7 | Very high | 42 Ų | 42 | 98.3 Ų | 98.3 | 43% | 0.433 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y75 I77 G83 | Y75-G79 VanDerWaalsContact O-CA 3.27Å; Y75-G79 WeakPolarHBondContact O-CA 3.35Å; Y75-G79 PolarHBondContact O-N 3.32Å; I77-G79 PolarHBondContact O-N 3.35Å; G79-G83 WeakPolarHBondContact O-CA 3.45Å; G79-G83 PolarHBondContact O-N 2.93Å |
| 80 | L | 96.3 | Very high | 92.1 | Very high | 130 Ų | 130 | 102.3 Ų | 102.3 | 68% | 0.681 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.9 | -41.6 | 173.6 | -86.5 | 164.2 | 0 | 0 | 0 | 111.7 | Y76 I77 Y84 | Y76-L80 VanDerWaalsContact O-CB 3.24Å; Y76-L80 WeakPolarHBondContact O-CB 3.24Å; Y76-L80 WeakPolarHBondContact O-CG 3.45Å; Y76-L80 PolarHBondContact O-N 2.92Å; I77-L80 PolarHBondContact O-N 3.44Å; L80-Y84 WeakPolarHBondContact O-CB 3.35Å; L80-Y84 PolarHBondContact O-N 3.4Å |
| 81 | F | 95.7 | Very high | 92.6 | Very high | 112 Ų | 112 | 102.9 Ų | 102.9 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.6 | -52.6 | 178.6 | 178.5 | -98.9 | 0 | 0 | 0 | 111.3 | I77 S78 Y84 M85 | I77-F81 VanDerWaalsContact O-CB 3.26Å; I77-F81 WeakPolarHBondContact O-CB 3.42Å; I77-F81 PolarHBondContact O-N 3.17Å; S78-F81 PolarHBondContact O-N 3.29Å; F81-Y84 PolarHBondContact O-N 2.93Å; F81-M85 HydrophobicContact CE1-CE 4.42Å; F81-M85 HydrophobicContact CE1-CG 4.18Å; F81-M85 HydrophobicContact CE2-CE 3.58Å; F81-M85 HydrophobicContact CE2-CG 4.47Å; F81-M85 HydrophobicContact CZ-CE 3.52Å; F81-M85 HydrophobicContact CZ-CG 4.16Å; F81-M85 WeakPolarHBondContact O-CG 3.48Å; F81-M85 PolarHBondContact O-N 3.42Å |
| 82 | W | 94.9 | Very high | 92.6 | Very high | 155 Ų | 155 | 101.6 Ų | 101.6 | 59% | 0.587 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68.1 | -39.3 | 178.6 | -80.6 | 107.6 | 0 | 0 | 0 | 112.9 | S78 Y84 M85 L86 | S78-W82 PolarHBondContact O-N 3.26Å; W82-Y84 VanDerWaalsContact C-N 3.3Å; W82-Y84 PolarHBondContact O-N 2.87Å; W82-M85 PolarHBondContact O-N 3.35Å; W82-L86 WeakPolarHBondContact O-CB 3.41Å; W82-L86 WeakPolarHBondContact O-CG 3.17Å; W82-L86 PolarHBondContact O-N 2.9Å |
| 83 | G | 95.5 | Very high | 92.3 | Very high | 40 Ų | 40 | 104.2 Ų | 104.2 | 41% | 0.412 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G79 Y87 | G79-G83 WeakPolarHBondContact O-CA 3.45Å; G79-G83 PolarHBondContact O-N 2.93Å; G83-Y87 WeakPolarHBondContact O-CB 3.34Å; G83-Y87 PolarHBondContact O-N 3.22Å |
| 84 | Y | 95.1 | Very high | 92.1 | Very high | 140 Ų | 140 | 103.9 Ų | 103.9 | 55% | 0.549 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.4 | -43.3 | 175.5 | -177.6 | -100.7 | 0 | 0 | 0 | 112.2 | L80 F81 W82 L86 Y87 R88 | L80-Y84 WeakPolarHBondContact O-CB 3.35Å; L80-Y84 PolarHBondContact O-N 3.4Å; F81-Y84 PolarHBondContact O-N 2.93Å; W82-Y84 VanDerWaalsContact C-N 3.3Å; W82-Y84 PolarHBondContact O-N 2.87Å; Y84-L86 VanDerWaalsContact C-N 3.35Å; Y84-L86 PolarHBondContact O-N 2.88Å; Y84-Y87 PolarHBondContact O-N 3.35Å; Y84-R88 WeakPolarHBondContact O-CB 3.26Å; Y84-R88 PolarHBondContact O-N 3.45Å |
| 85 | M | 94.3 | Very high | 91.8 | Very high | 91 Ų | 91 | 105.4 Ų | 105.4 | 45% | 0.448 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 176.9 | -74.3 | -61.9 | -175.6 | 0 | 0 | 111.7 | F81 W82 R88 L89 | F81-M85 HydrophobicContact CE1-CE 4.42Å; F81-M85 HydrophobicContact CE1-CG 4.18Å; F81-M85 HydrophobicContact CE2-CE 3.58Å; F81-M85 HydrophobicContact CE2-CG 4.47Å; F81-M85 HydrophobicContact CZ-CE 3.52Å; F81-M85 HydrophobicContact CZ-CG 4.16Å; F81-M85 WeakPolarHBondContact O-CG 3.48Å; F81-M85 PolarHBondContact O-N 3.42Å; W82-M85 PolarHBondContact O-N 3.35Å; M85-R88 PolarHBondContact O-N 3.26Å; M85-L89 VanDerWaalsContact O-CB 3.29Å; M85-L89 WeakPolarHBondContact O-CB 3.27Å; M85-L89 PolarHBondContact O-N 3.15Å |
| 86 | L | 95 | Very high | 91.5 | Very high | 108 Ų | 108 | 104.1 Ų | 104.1 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.9 | -40 | 176.8 | -69.8 | 173.3 | 0 | 0 | 0 | 112.4 | W82 Y84 R88 L89 Y90 | W82-L86 WeakPolarHBondContact O-CB 3.41Å; W82-L86 WeakPolarHBondContact O-CG 3.17Å; W82-L86 PolarHBondContact O-N 2.9Å; Y84-L86 VanDerWaalsContact C-N 3.35Å; Y84-L86 PolarHBondContact O-N 2.88Å; L86-R88 VanDerWaalsContact C-N 3.3Å; L86-R88 PolarHBondContact O-N 3.28Å; L86-L89 PolarHBondContact O-N 3.22Å; L86-Y90 WeakPolarHBondContact O-CB 3.44Å; L86-Y90 PolarHBondContact O-N 2.91Å |
| 87 | Y | 95 | Very high | 91 | Very high | 125 Ų | 125 | 103.5 Ų | 103.5 | 49% | 0.49 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.5 | -47.5 | 172.8 | 170.8 | -91.5 | 0 | 0 | 0 | 110.5 | G83 Y84 Y90 Y91 | G83-Y87 WeakPolarHBondContact O-CB 3.34Å; G83-Y87 PolarHBondContact O-N 3.22Å; Y84-Y87 PolarHBondContact O-N 3.35Å; Y87-Y90 PolarHBondContact O-N 3.47Å; Y87-Y91 HydrophobicContact CD1-CD2 4.35Å; Y87-Y91 AromaticContact CD2-CD2 3.65Å; Y87-Y91 HydrophobicContact CD2-CD2 3.65Å; Y87-Y91 AromaticContact CD2-CE2 3.48Å; Y87-Y91 HydrophobicContact CD2-CE2 3.48Å; Y87-Y91 VanDerWaalsContact CD2-CE2 3.48Å; Y87-Y91 HydrophobicContact CE1-CD2 4.1Å; Y87-Y91 AromaticContact CE2-CD2 3.39Å; Y87-Y91 HydrophobicContact CE2-CD2 3.39Å; Y87-Y91 AromaticContact CE2-CE2 3.13Å; Y87-Y91 HydrophobicContact CE2-CE2 3.13Å; Y87-Y91 HydrophobicContact CG-CD2 4.13Å; Y87-Y91 HydrophobicContact CG-CE2 4.39Å; Y87-Y91 AromaticContact CZ-CD2 3.61Å; Y87-Y91 AromaticContact CZ-CE2 3.79Å; Y87-Y91 VanDerWaalsContact O-CD2 3.31Å; Y87-Y91 WeakPolarHBondContact O-CD2 3.4Å; Y87-Y91 PolarHBondContact O-N 3.33Å; Y87-Y91 VanDerWaalsContact O-N 3.12Å |
| 88 | R | 92.7 | Very high | 90 | Very high | 88 Ų | 88 | 100.7 Ų | 100.7 | 33% | 0.332 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.8 | -38.6 | -176.8 | -160.1 | 51.6 | 170.2 | 153.6 | 10.3 | 112.1 | Y84 M85 L86 Y90 D92 E95 | Y84-R88 WeakPolarHBondContact O-CB 3.26Å; Y84-R88 PolarHBondContact O-N 3.45Å; M85-R88 PolarHBondContact O-N 3.26Å; L86-R88 VanDerWaalsContact C-N 3.3Å; L86-R88 PolarHBondContact O-N 3.28Å; R88-Y90 VanDerWaalsContact C-N 3.3Å; R88-Y90 PolarHBondContact O-N 3.21Å; R88-D92 IonicContact CZ-OD1 2.73Å; R88-D92 IonicContact CZ-OD2 2.63Å; R88-D92 IonicContact NE-OD2 3.55Å; R88-D92 IonicContact NH1-OD1 3.99Å; R88-D92 PolarHBondContact NH1-OD1 3.36Å; R88-D92 IonicContact NH1-OD2 3.83Å; R88-D92 PolarHBondContact NH1-OD2 3.13Å; R88-D92 IonicContact NH2-OD2 2.73Å; R88-D92 PolarHBondContact NH2-OD2 3.03Å; R88-D92 CarbonylContact O-C 3.16Å; R88-D92 WeakPolarHBondContact O-CA 3.45Å; R88-D92 PolarHBondContact O-N 3.16Å; R88-E95 IonicContact NH2-OE1 2.86Å |
| 89 | L | 91.9 | Very high | 89.3 | Confident | 86 Ų | 86 | 103.1 Ų | 103.1 | 45% | 0.45 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.6 | -40.8 | 170.4 | -167.1 | 86.6 | 0 | 0 | 0 | 111.3 | M85 L86 Y93 V96 | M85-L89 VanDerWaalsContact O-CB 3.29Å; M85-L89 WeakPolarHBondContact O-CB 3.27Å; M85-L89 PolarHBondContact O-N 3.15Å; L86-L89 PolarHBondContact O-N 3.22Å; L89-Y93 VanDerWaalsContact O-CA 3.28Å; L89-Y93 WeakPolarHBondContact O-CA 3Å; L89-Y93 WeakPolarHBondContact O-CB 3.48Å; L89-Y93 PolarHBondContact O-N 2.9Å; L89-Y93 VanDerWaalsContact O-N 3.12Å; L89-V96 HydrophobicContact CD1-CG2 4.24Å |
| 90 | Y | 90.9 | Very high | 88.3 | Confident | 173 Ų | 173 | 104.7 Ų | 104.7 | 68% | 0.678 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.1 | -44.1 | -177.9 | -178.6 | -98.7 | 0 | 0 | 0 | 112.9 | L86 Y87 R88 | L86-Y90 WeakPolarHBondContact O-CB 3.44Å; L86-Y90 PolarHBondContact O-N 2.91Å; Y87-Y90 PolarHBondContact O-N 3.47Å; R88-Y90 VanDerWaalsContact C-N 3.3Å; R88-Y90 PolarHBondContact O-N 3.21Å |
| 91 | Y | 90.9 | Very high | 87.2 | Confident | 137 Ų | 137 | 105.9 Ų | 105.9 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -83.1 | -35.1 | -177.2 | -74.2 | -73.9 | 0 | 0 | 0 | 113.3 | Y87 | Y87-Y91 HydrophobicContact CD1-CD2 4.35Å; Y87-Y91 AromaticContact CD2-CD2 3.65Å; Y87-Y91 HydrophobicContact CD2-CD2 3.65Å; Y87-Y91 AromaticContact CD2-CE2 3.48Å; Y87-Y91 HydrophobicContact CD2-CE2 3.48Å; Y87-Y91 VanDerWaalsContact CD2-CE2 3.48Å; Y87-Y91 HydrophobicContact CE1-CD2 4.1Å; Y87-Y91 AromaticContact CE2-CD2 3.39Å; Y87-Y91 HydrophobicContact CE2-CD2 3.39Å; Y87-Y91 AromaticContact CE2-CE2 3.13Å; Y87-Y91 HydrophobicContact CE2-CE2 3.13Å; Y87-Y91 HydrophobicContact CG-CD2 4.13Å; Y87-Y91 HydrophobicContact CG-CE2 4.39Å; Y87-Y91 AromaticContact CZ-CD2 3.61Å; Y87-Y91 AromaticContact CZ-CE2 3.79Å; Y87-Y91 VanDerWaalsContact O-CD2 3.31Å; Y87-Y91 WeakPolarHBondContact O-CD2 3.4Å; Y87-Y91 PolarHBondContact O-N 3.33Å; Y87-Y91 VanDerWaalsContact O-N 3.12Å |
| 92 | D | 88.8 | Confident | 86.3 | Confident | 47 Ų | 47 | 109.8 Ų | 109.8 | 25% | 0.251 | 52% | 0.518 | S | S | . | . | trans | -127.5 | 43.9 | -172 | -66.8 | 48.4 | 0 | 0 | 0 | 110.6 | R88 M94 E95 | R88-D92 IonicContact CZ-OD1 2.73Å; R88-D92 IonicContact CZ-OD2 2.63Å; R88-D92 IonicContact NE-OD2 3.55Å; R88-D92 IonicContact NH1-OD1 3.99Å; R88-D92 PolarHBondContact NH1-OD1 3.36Å; R88-D92 IonicContact NH1-OD2 3.83Å; R88-D92 PolarHBondContact NH1-OD2 3.13Å; R88-D92 IonicContact NH2-OD2 2.73Å; R88-D92 PolarHBondContact NH2-OD2 3.03Å; R88-D92 CarbonylContact O-C 3.16Å; R88-D92 WeakPolarHBondContact O-CA 3.45Å; R88-D92 PolarHBondContact O-N 3.16Å; D92-M94 PolarHBondContact O-N 3.08Å; D92-M94 VanDerWaalsContact O-N 3.12Å; D92-E95 PolarHBondContact O-N 3Å | ||
| 93 | Y | 86.7 | Confident | 85.5 | Confident | 97 Ų | 97 | 107 Ų | 107 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -22.3 | 176.2 | 72.8 | -90.2 | 0 | 0 | 0 | 113 | L89 E95 V96 I97 | L89-Y93 VanDerWaalsContact O-CA 3.28Å; L89-Y93 WeakPolarHBondContact O-CA 3Å; L89-Y93 WeakPolarHBondContact O-CB 3.48Å; L89-Y93 PolarHBondContact O-N 2.9Å; L89-Y93 VanDerWaalsContact O-N 3.12Å; Y93-E95 PolarHBondContact O-N 3.23Å; Y93-V96 PolarHBondContact O-N 3.45Å; Y93-I97 HydrophobicContact CD2-CB 4.24Å; Y93-I97 HydrophobicContact CD2-CD1 3.92Å; Y93-I97 HydrophobicContact CD2-CG1 4.34Å; Y93-I97 PolarHBondContact O-N 2.98Å |
| 94 | M | 82.4 | Confident | 84.7 | Confident | 63 Ų | 63 | 113.1 Ų | 113.1 | 31% | 0.31 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.5 | -35 | -179.6 | -48.6 | -49.2 | -168.8 | 0 | 0 | 112.1 | D92 V96 G98 E99 P100 | D92-M94 PolarHBondContact O-N 3.08Å; D92-M94 VanDerWaalsContact O-N 3.12Å; M94-V96 PolarHBondContact O-N 3.08Å; M94-G98 CarbonylContact O-C 3.48Å; M94-G98 VanDerWaalsContact O-CA 3.22Å; M94-G98 WeakPolarHBondContact O-CA 3.39Å; M94-G98 PolarHBondContact O-N 2.77Å; M94-E99 HydrophobicContact CB-CG 4.24Å; M94-P100 HydrophobicContact CE-CG 3.52Å; M94-P100 WeakPolarHBondContact SD-CD 3.38Å; M94-P100 HydrophobicContact SD-CG 3.52Å; M94-P100 VanDerWaalsContact SD-CG 3.52Å |
| 95 | E | 79.1 | Confident | 83.8 | Confident | 147 Ų | 147 | 110.2 Ų | 110.2 | 69% | 0.687 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.9 | -24.6 | 177.3 | -67.6 | -178.6 | 179.7 | 0 | 0 | 112.2 | R88 D92 Y93 | R88-E95 IonicContact NH2-OE1 2.86Å; D92-E95 PolarHBondContact O-N 3Å; Y93-E95 PolarHBondContact O-N 3.23Å |
| 96 | V | 81.8 | Confident | 82.9 | Confident | 107 Ų | 107 | 113.5 Ų | 113.5 | 65% | 0.648 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -100.2 | -43 | -176 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | L89 Y93 M94 | L89-V96 HydrophobicContact CD1-CG2 4.24Å; Y93-V96 PolarHBondContact O-N 3.45Å; M94-V96 PolarHBondContact O-N 3.08Å |
| 97 | I | 83.1 | Confident | 81.9 | Confident | 133 Ų | 133 | 115.4 Ų | 115.4 | 68% | 0.682 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -91 | -15.7 | -174.7 | -59.5 | -175.4 | 0 | 0 | 0 | 111.5 | Y93 | Y93-I97 HydrophobicContact CD2-CB 4.24Å; Y93-I97 HydrophobicContact CD2-CD1 3.92Å; Y93-I97 HydrophobicContact CD2-CG1 4.34Å; Y93-I97 PolarHBondContact O-N 2.98Å |
| 98 | G | 72.7 | Confident | 81.1 | Confident | 43 Ų | 43 | 118.2 Ų | 118.2 | 44% | 0.443 | 58% | 0.575 | S | S | . | * | trans | 97.4 | 146.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | M94 P100 | M94-G98 CarbonylContact O-C 3.48Å; M94-G98 VanDerWaalsContact O-CA 3.22Å; M94-G98 WeakPolarHBondContact O-CA 3.39Å; M94-G98 PolarHBondContact O-N 2.77Å; G98-P100 WeakPolarHBondContact O-CD 3.43Å | ||
| 99 | E | 78.6 | Confident | 80.3 | Confident | 102 Ų | 102 | 119.5 Ų | 119.5 | 48% | 0.477 | 59% | 0.585 | S | S | . | * | trans | -66.3 | 123.4 | 178.1 | -69.3 | -179.9 | -163.8 | 0 | 0 | 109.7 | M94 E101 W102 | M94-E99 HydrophobicContact CB-CG 4.24Å; E99-E101 PolarHBondContact O-N 2.66Å; E99-E101 VanDerWaalsContact O-N 3.14Å; E99-W102 CarbonylContact O-C 3.55Å; E99-W102 PolarHBondContact O-N 3.44Å; E99-W102 PolarHBondContact OE2-NE1 2.92Å | ||
| 100 | P | 72.2 | Confident | 79.7 | Confident | 75 Ų | 75 | 119.4 Ų | 119.4 | 49% | 0.487 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.7 | -15 | 178.9 | 25.5 | -33.1 | 0 | 0 | 0 | 112.2 | M94 G98 W102 | M94-P100 HydrophobicContact CE-CG 3.52Å; M94-P100 WeakPolarHBondContact SD-CD 3.38Å; M94-P100 HydrophobicContact SD-CG 3.52Å; M94-P100 VanDerWaalsContact SD-CG 3.52Å; G98-P100 WeakPolarHBondContact O-CD 3.43Å; P100-W102 PolarHBondContact O-N 2.82Å |
| 101 | E | 74.9 | Confident | 79.1 | Confident | 154 Ų | 154 | 114.6 Ų | 114.6 | 72% | 0.72 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -24.7 | 170.9 | -50 | -173.9 | -157 | 0 | 0 | 111.8 | E99 P103 | E99-E101 PolarHBondContact O-N 2.66Å; E99-E101 VanDerWaalsContact O-N 3.14Å; E101-P103 VanDerWaalsContact O-CD 3.29Å; E101-P103 WeakPolarHBondContact O-CD 3.19Å |
| 102 | W | 76.4 | Confident | 78.6 | Confident | 194 Ų | 194 | 112.2 Ų | 112.2 | 74% | 0.735 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -121.8 | 64.4 | -178.1 | -58.2 | 102.7 | 0 | 0 | 0 | 111.2 | E99 P100 L104 | E99-W102 CarbonylContact O-C 3.55Å; E99-W102 PolarHBondContact O-N 3.44Å; E99-W102 PolarHBondContact OE2-NE1 2.92Å; P100-W102 PolarHBondContact O-N 2.82Å; W102-L104 PolarHBondContact O-N 3.12Å |
| 103 | P | 78.6 | Confident | 78.1 | Confident | 97 Ų | 97 | 118.5 Ų | 118.5 | 63% | 0.63 | 59% | 0.594 | S | S | * | * | trans | -61.4 | 132.6 | 177.1 | 27.9 | -33 | 0 | 0 | 0 | 109.4 | E101 P105 | E101-P103 VanDerWaalsContact O-CD 3.29Å; E101-P103 WeakPolarHBondContact O-CD 3.19Å; P103-P105 WeakPolarHBondContact O-CD 3.39Å; P103-P105 VanDerWaalsContact O-N 3.07Å | ||
| 104 | L | 78.1 | Confident | 77.9 | Confident | 169 Ų | 169 | 120.7 Ų | 120.7 | 89% | 0.885 | 61% | 0.608 | S | S | * | * | trans | -57.9 | 114 | 172.3 | -83.4 | 154.9 | 0 | 0 | 0 | 108.7 | W102 | W102-L104 PolarHBondContact O-N 3.12Š| ||
| 105 | P | 76.2 | Confident | 77.9 | Confident | 78 Ų | 78 | 122.6 Ų | 122.6 | 51% | 0.506 | 62% | 0.619 | S | S | . | * | trans | -67.9 | 138.8 | -178.2 | 26.7 | -31.8 | 0 | 0 | 0 | 109.2 | P103 L107 F110 | P103-P105 WeakPolarHBondContact O-CD 3.39Å; P103-P105 VanDerWaalsContact O-N 3.07Å; P105-L107 PolarHBondContact O-N 2.94Å; P105-F110 HydrophobicContact CB-CE2 3.93Å; P105-F110 HydrophobicContact CB-CZ 3.68Å; P105-F110 HydrophobicContact CG-CE2 4.07Å; P105-F110 HydrophobicContact CG-CZ 3.82Å | ||
| 106 | R | 74.6 | Confident | 77.9 | Confident | 161 Ų | 161 | 118.5 Ų | 118.5 | 61% | 0.608 | 62% | 0.616 | S | S | * | * | trans | -73.7 | 123.3 | 172.8 | -70.1 | -172.8 | -70.3 | -101.9 | -0.6 | 107.8 | E108 Q109 | R106-E108 PolarHBondContact O-N 3.3Å; R106-E108 VanDerWaalsContact O-N 3.1Å; R106-Q109 HydrophobicContact CB-CG 3.94Å; R106-Q109 WeakPolarHBondContact O-CB 3.5Å; R106-Q109 PolarHBondContact O-N 2.79Å | ||
| 107 | L | 75 | Confident | 77.7 | Confident | 147 Ų | 147 | 117.4 Ų | 117.4 | 77% | 0.77 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -55.2 | -32.3 | -177 | -65.2 | 166.9 | 0 | 0 | 0 | 112.8 | P105 Q109 F110 | P105-L107 PolarHBondContact O-N 2.94Å; L107-Q109 PolarHBondContact O-N 3.33Å; L107-F110 PolarHBondContact O-N 3.3Å |
| 108 | E | 76.8 | Confident | 77.3 | Confident | 185 Ų | 185 | 115 Ų | 115 | 86% | 0.864 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -68.8 | -12.5 | 178 | -60.4 | 169 | -172.9 | 0 | 0 | 114.2 | R106 | R106-E108 PolarHBondContact O-N 3.3Å; R106-E108 VanDerWaalsContact O-N 3.1Å |
| 109 | Q | 76.9 | Confident | 77.4 | Confident | 114 Ų | 114 | 118.4 Ų | 118.4 | 53% | 0.533 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -87.1 | -17.7 | 179.3 | -66.3 | -177.9 | -52.4 | 0 | 0 | 113 | R106 L107 T111 | R106-Q109 HydrophobicContact CB-CG 3.94Å; R106-Q109 WeakPolarHBondContact O-CB 3.5Å; R106-Q109 PolarHBondContact O-N 2.79Å; L107-Q109 PolarHBondContact O-N 3.33Å; Q109-T111 PolarHBondContact O-N 3.04Å |
| 110 | F | 78.5 | Confident | 77 | Confident | 84 Ų | 84 | 121.4 Ų | 121.4 | 37% | 0.368 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -75.5 | 124.6 | 174.6 | -62.8 | -67.8 | 0 | 0 | 0 | 108.6 | P105 L107 L115 | P105-F110 HydrophobicContact CB-CE2 3.93Å; P105-F110 HydrophobicContact CB-CZ 3.68Å; P105-F110 HydrophobicContact CG-CE2 4.07Å; P105-F110 HydrophobicContact CG-CZ 3.82Å; L107-F110 PolarHBondContact O-N 3.3Å; F110-L115 HydrophobicContact CB-CD1 3.24Å; F110-L115 HydrophobicContact CG-CD1 4.19Å |
| 111 | T | 77.8 | Confident | 76.7 | Confident | 72 Ų | 72 | 125.8 Ų | 125.8 | 44% | 0.442 | 65% | 0.645 | S | S | . | * | trans | -75.2 | 151 | 178.6 | 59.9 | 0 | 0 | 0 | 0 | 109.8 | Q109 E113 E114 L115 | Q109-T111 PolarHBondContact O-N 3.04Å; T111-E113 PolarHBondContact O-N 3.46Å; T111-E113 VanDerWaalsContact O-N 3.15Å; T111-E114 PolarHBondContact O-N 3.48Å; T111-E114 PolarHBondContact OG1-N 2.96Å; T111-L115 PolarHBondContact O-N 3.48Å | ||
| 112 | D | 81.6 | Confident | 76.2 | Confident | 88 Ų | 88 | 122.1 Ų | 122.1 | 47% | 0.471 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -57.8 | -29.1 | 176.2 | -68.8 | -35.6 | 0 | 0 | 0 | 111.9 | L115 G116 I117 | D112-L115 CarbonylContact O-C 3.58Å; D112-L115 PolarHBondContact O-N 3.32Å; D112-G116 PolarHBondContact O-N 2.77Å; D112-I117 HydrophobicContact CB-CB 4.1Å; D112-I117 PolarHBondContact O-N 2.97Å |
| 113 | E | 78.2 | Confident | 75.2 | Confident | 178 Ų | 178 | 116.1 Ų | 116.1 | 83% | 0.832 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.2 | -41.2 | 172.8 | -162.1 | 179.2 | -163.7 | 0 | 0 | 112.8 | T111 G116 | T111-E113 PolarHBondContact O-N 3.46Å; T111-E113 VanDerWaalsContact O-N 3.15Å; E113-G116 PolarHBondContact O-N 3.37Å |
| 114 | E | 82.9 | Confident | 74.1 | Confident | 143 Ų | 143 | 115.4 Ų | 115.4 | 67% | 0.668 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72 | -32.3 | 174 | -74.4 | -174.8 | 174.2 | 0 | 0 | 112.3 | T111 G116 | T111-E114 PolarHBondContact O-N 3.48Å; T111-E114 PolarHBondContact OG1-N 2.96Å; E114-G116 VanDerWaalsContact C-N 3.26Å; E114-G116 PolarHBondContact O-N 3.09Å |
| 115 | L | 81.8 | Confident | 73.4 | Confident | 103 Ų | 103 | 112.8 Ų | 112.8 | 54% | 0.539 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -77.4 | -9.8 | 174.7 | -93.3 | 89.7 | 0 | 0 | 0 | 113.5 | F110 T111 D112 I117 | F110-L115 HydrophobicContact CB-CD1 3.24Å; F110-L115 HydrophobicContact CG-CD1 4.19Å; T111-L115 PolarHBondContact O-N 3.48Å; D112-L115 CarbonylContact O-C 3.58Å; D112-L115 PolarHBondContact O-N 3.32Å; L115-I117 HydrophobicContact CB-CD1 3.81Å; L115-I117 HydrophobicContact CB-CG1 3.92Å; L115-I117 HydrophobicContact CD2-CD1 3.74Å; L115-I117 HydrophobicContact CG-CD1 4.39Å; L115-I117 PolarHBondContact O-N 2.91Å |
| 116 | G | 78.5 | Confident | 72.3 | Confident | 61 Ų | 61 | 117.3 Ų | 117.3 | 63% | 0.629 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.1 | 24.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113 | D112 E113 E114 P118 | D112-G116 PolarHBondContact O-N 2.77Å; E113-G116 PolarHBondContact O-N 3.37Å; E114-G116 VanDerWaalsContact C-N 3.26Å; E114-G116 PolarHBondContact O-N 3.09Å; G116-P118 VanDerWaalsContact O-CD 3.32Å; G116-P118 WeakPolarHBondContact O-CD 3.42Å |
| 117 | I | 78.7 | Confident | 71.2 | Confident | 84 Ų | 84 | 116.2 Ų | 116.2 | 43% | 0.431 | 63% | 0.629 | S | S | . | * | trans | -78.5 | 113.4 | 170.9 | -64.6 | 165.2 | 0 | 0 | 0 | 105.7 | D112 L115 | D112-I117 HydrophobicContact CB-CB 4.1Å; D112-I117 PolarHBondContact O-N 2.97Å; L115-I117 HydrophobicContact CB-CD1 3.81Å; L115-I117 HydrophobicContact CB-CG1 3.92Å; L115-I117 HydrophobicContact CD2-CD1 3.74Å; L115-I117 HydrophobicContact CG-CD1 4.39Å; L115-I117 PolarHBondContact O-N 2.91Å | ||
| 118 | P | 73.9 | Confident | 70.2 | Confident | 84 Ų | 84 | 118.8 Ų | 118.8 | 55% | 0.545 | 63% | 0.63 | S | S | . | * | trans | -67 | 138.2 | 180 | 26.5 | -31.3 | 0 | 0 | 0 | 109.8 | G116 D120 | G116-P118 VanDerWaalsContact O-CD 3.32Å; G116-P118 WeakPolarHBondContact O-CD 3.42Å; P118-D120 PolarHBondContact O-N 2.87Å | ||
| 119 | D | 74.3 | Confident | 69 | Low | 114 Ų | 114 | 113.5 Ų | 113.5 | 61% | 0.61 | 63% | 0.626 | S | S | * | * | trans | -55 | 129.6 | 168.7 | -75.2 | -29.4 | 0 | 0 | 0 | 108.9 | D121 S122 | D119-D121 PolarHBondContact O-N 3.2Å; D119-S122 WeakPolarHBondContact O-CB 3.39Å; D119-S122 PolarHBondContact O-N 3.01Å; D119-S122 PolarHBondContact O-OG 3.15Å | ||
| 120 | D | 71.1 | Confident | 67.8 | Low | 165 Ų | 165 | 111.4 Ų | 111.4 | 88% | 0.882 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -23.6 | -178.2 | -86.7 | -23.5 | 0 | 0 | 0 | 112.7 | P118 | P118-D120 PolarHBondContact O-N 2.87Š|
| 121 | D | 65.7 | Low | 66.3 | Low | 166 Ų | 166 | 111.5 Ų | 111.5 | 89% | 0.888 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -12 | 179.2 | -66.7 | -27.7 | 0 | 0 | 0 | 114.2 | D119 | D119-D121 PolarHBondContact O-N 3.2Š|
| 122 | S | 64.5 | Low | 64.6 | Low | 78 Ų | 78 | 114.6 Ų | 114.6 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.6 | -21.1 | -174 | 69.2 | 0 | 0 | 0 | 0 | 114.1 | D119 | D119-S122 WeakPolarHBondContact O-CB 3.39Å; D119-S122 PolarHBondContact O-N 3.01Å; D119-S122 PolarHBondContact O-OG 3.15Å |
| 123 | V | 55.5 | Low | 62.7 | Low | 68 Ų | 68 | 120.9 Ų | 120.9 | 41% | 0.412 | 70% | 0.704 | S | S | . | * | S | Bend | trans | -122.8 | 109.7 | 179.2 | -178.9 | 0 | 0 | 0 | 0 | 107.9 | ||
| 124 | A | 56.2 | Low | 62 | Low | 82 Ų | 82 | 118.1 Ų | 118.1 | 68% | 0.678 | 70% | 0.698 | S | S | * | * | trans | -46.7 | 131.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | R126 | A124-R126 PolarHBondContact O-N 2.83Š| ||
| 125 | P | 62.4 | Low | 60.9 | Low | 114 Ų | 114 | 116.7 Ų | 116.7 | 74% | 0.74 | 70% | 0.699 | S | S | * | * | trans | -52 | 117.5 | -173.3 | 17.6 | -30 | 0 | 0 | 0 | 108.6 | L127 | P125-L127 PolarHBondContact O-N 3.12Š| ||
| 126 | R | 53.8 | Low | 59.7 | Low | 172 Ų | 172 | 117.5 Ų | 117.5 | 65% | 0.649 | 71% | 0.708 | S | S | * | * | trans | -61.3 | 111.8 | 173.7 | -61.8 | -179.5 | -170.1 | -130.6 | 3.6 | 105.2 | A124 Y128 | A124-R126 PolarHBondContact O-N 2.83Å; R126-Y128 HydrophobicContact CB-CD2 3.72Å; R126-Y128 HydrophobicContact CB-CE2 3.31Å; R126-Y128 WeakPolarHBondContact CD-OH 3.41Å; R126-Y128 HydrophobicContact CG-CE2 4.13Å; R126-Y128 VanDerWaalsContact O-CD2 3.26Å; R126-Y128 WeakPolarHBondContact O-CD2 3.3Å; R126-Y128 PolarHBondContact O-N 2.8Å | ||
| 127 | L | 51.6 | Low | 58.6 | Low | 138 Ų | 138 | 120.8 Ų | 120.8 | 72% | 0.723 | 71% | 0.713 | S | S | * | * | trans | -66.4 | 76 | 175.9 | -67.8 | 173 | 0 | 0 | 0 | 108.9 | P125 G129 A130 | P125-L127 PolarHBondContact O-N 3.12Å; L127-G129 PolarHBondContact O-N 2.82Å; L127-A130 HydrophobicContact CB-CB 3.93Å; L127-A130 HydrophobicContact CD1-CB 3.8Å; L127-A130 HydrophobicContact CD2-CB 4.48Å; L127-A130 HydrophobicContact CG-CB 4.29Å | ||
| 128 | Y | 52.6 | Low | 57.3 | Low | 201 Ų | 201 | 123.1 Ų | 123.1 | 79% | 0.788 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 69.9 | 162.2 | -62.1 | -74.7 | 0 | 0 | 0 | 107.1 | R126 | R126-Y128 HydrophobicContact CB-CD2 3.72Å; R126-Y128 HydrophobicContact CB-CE2 3.31Å; R126-Y128 WeakPolarHBondContact CD-OH 3.41Å; R126-Y128 HydrophobicContact CG-CE2 4.13Å; R126-Y128 VanDerWaalsContact O-CD2 3.26Å; R126-Y128 WeakPolarHBondContact O-CD2 3.3Å; R126-Y128 PolarHBondContact O-N 2.8Å |
| 129 | G | 51.9 | Low | 56.2 | Low | 74 Ų | 74 | 125.7 Ų | 125.7 | 76% | 0.763 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 164.4 | -14.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | L127 A131 | L127-G129 PolarHBondContact O-N 2.82Å; G129-A131 PolarHBondContact O-N 2.94Å |
| 130 | A | 52 | Low | 54.9 | Low | 71 Ų | 71 | 126.6 Ų | 126.6 | 59% | 0.587 | 75% | 0.752 | S | S | * | * | trans | -101.6 | 56.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L127 | L127-A130 HydrophobicContact CB-CB 3.93Å; L127-A130 HydrophobicContact CD1-CB 3.8Å; L127-A130 HydrophobicContact CD2-CB 4.48Å; L127-A130 HydrophobicContact CG-CB 4.29Å | ||
| 131 | A | 46.3 | Very low | 53.7 | Low | 86 Ų | 86 | 123.6 Ų | 123.6 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | trans | -94.7 | 114 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | G129 | G129-A131 PolarHBondContact O-N 2.94Š| ||
| 132 | V | 42.1 | Very low | 52.7 | Low | 137 Ų | 137 | 120.1 Ų | 120.1 | 83% | 0.83 | 73% | 0.73 | S | S | * | * | trans | 54 | 95.5 | 138.9 | -169.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 133 | V | 43.5 | Very low | 51.6 | Low | 220 Ų | 220 | 123.9 Ų | 123.9 | 100% | 1.333 | 75% | 0.747 | S | S | * | * | trans | -147.8 | 0 | 132.1 | -177.4 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 133 of 133 residues in 218.8 ms
(Link to these results)