| 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 | 43.5 | Very low | 47.6 | Very low | 251 Ų | 251 | 147.8 Ų | 147.8 | 100% | 1.236 | 86% | 0.862 | S | S | * | * | 0 | 117.3 | 0 | -82.5 | 157.2 | 152 | 0 | 0 | 107.8 | |||||
| 2 | M | 38.9 | Very low | 48.8 | Very low | 185 Ų | 185 | 148.3 Ų | 148.3 | 91% | 0.911 | 86% | 0.856 | S | S | * | * | trans | -119 | 138.9 | -177.5 | -126.2 | 170.6 | 120.5 | 0 | 0 | 107.8 | ||||
| 3 | P | 46.9 | Very low | 49.1 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 77% | 0.766 | 85% | 0.851 | S | S | * | * | trans | -81.5 | 131.6 | -178.7 | 31.3 | -29.2 | 0 | 0 | 0 | 110.6 | ||||
| 4 | S | 44.4 | Very low | 50 | Low | 119 Ų | 119 | 143.8 Ų | 143.8 | 83% | 0.832 | 85% | 0.845 | S | S | * | * | trans | -61.5 | 130.8 | 174.6 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 5 | R | 49.7 | Very low | 51 | Low | 237 Ų | 237 | 140.2 Ų | 140.2 | 89% | 0.894 | 83% | 0.831 | S | S | * | * | trans | -85.5 | 111.8 | 168.6 | -68.4 | -158.1 | 169.2 | -162.4 | -3.1 | 109.6 | N7 | R5-N7 PolarHBondContact O-N 3.36Š| ||
| 6 | T | 48.8 | Very low | 51.9 | Low | 127 Ų | 127 | 144.1 Ų | 144.1 | 78% | 0.779 | 83% | 0.834 | S | S | * | * | trans | -71.4 | 110 | 168.5 | 34.7 | 0 | 0 | 0 | 0 | 110 | L8 | T6-L8 PolarHBondContact O-N 3.38Š| ||
| 7 | N | 51 | Low | 53 | Low | 159 Ų | 159 | 140.2 Ų | 140.2 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | -78.9 | 104.3 | 166.4 | -76.5 | -50.7 | 0 | 0 | 0 | 109 | R5 A9 | R5-N7 PolarHBondContact O-N 3.36Å; N7-A9 PolarHBondContact O-N 3.31Å | ||
| 8 | L | 47.8 | Very low | 54 | Low | 165 Ų | 165 | 143.4 Ų | 143.4 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -83.7 | 90.1 | 164.8 | -81.2 | 153.3 | 0 | 0 | 0 | 107.8 | T6 A10 | T6-L8 PolarHBondContact O-N 3.38Å; L8-A10 PolarHBondContact O-N 3.1Å; L8-A10 VanDerWaalsContact O-N 3.1Å | ||
| 9 | A | 48.8 | Very low | 54.9 | Low | 97 Ų | 97 | 146.1 Ų | 146.1 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -68.3 | 103.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | N7 G11 | N7-A9 PolarHBondContact O-N 3.31Å; A9-G11 PolarHBondContact O-N 3.06Å | ||
| 10 | A | 52.8 | Low | 56 | Low | 93 Ų | 93 | 144.2 Ų | 144.2 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -55.3 | 112.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | L8 I12 | L8-A10 PolarHBondContact O-N 3.1Å; L8-A10 VanDerWaalsContact O-N 3.1Å; A10-I12 PolarHBondContact O-N 3.11Å; A10-I12 VanDerWaalsContact O-N 3.11Å | ||
| 11 | G | 51 | Low | 56.8 | Low | 75 Ų | 75 | 146.4 Ų | 146.4 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -58.8 | 114.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | A9 | A9-G11 PolarHBondContact O-N 3.06Š| ||
| 12 | I | 61.4 | Low | 58 | Low | 154 Ų | 154 | 142 Ų | 142 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -59.1 | 123.7 | 167.3 | -64 | 162.6 | 0 | 0 | 0 | 106.6 | A10 S14 | A10-I12 PolarHBondContact O-N 3.11Å; A10-I12 VanDerWaalsContact O-N 3.11Å; I12-S14 PolarHBondContact O-N 2.88Å | ||
| 13 | P | 53.7 | Low | 59.4 | Low | 122 Ų | 122 | 137.3 Ų | 137.3 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | -65.4 | 102.9 | 177.5 | 25.7 | -31.2 | 0 | 0 | 0 | 108.5 | S15 | P13-S15 PolarHBondContact O-N 2.95Š| ||
| 14 | S | 61.2 | Low | 60.3 | Low | 111 Ų | 111 | 137.1 Ų | 137.1 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -68.2 | 93.8 | 173.8 | 176.4 | 0 | 0 | 0 | 0 | 108.4 | I12 K16 | I12-S14 PolarHBondContact O-N 2.88Å; S14-K16 PolarHBondContact O-N 2.82Å | ||
| 15 | S | 65 | Low | 61.4 | Low | 90 Ų | 90 | 136.3 Ų | 136.3 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | trans | -51.6 | 116.4 | 169 | 55 | 0 | 0 | 0 | 0 | 108.7 | P13 V17 | P13-S15 PolarHBondContact O-N 2.95Å; S15-V17 PolarHBondContact O-N 3.05Å | ||
| 16 | K | 65.6 | Low | 62.1 | Low | 202 Ų | 202 | 131.8 Ų | 131.8 | 88% | 0.878 | 76% | 0.762 | S | S | * | * | trans | -76.4 | 45 | -174.5 | -151.3 | -167.9 | -161 | -177.9 | 0 | 111.9 | S14 K18 | S14-K16 PolarHBondContact O-N 2.82Å; K16-K18 PolarHBondContact O-N 3.25Å | ||
| 17 | V | 71.1 | Confident | 63 | Low | 79 Ų | 79 | 131 Ų | 131 | 48% | 0.479 | 75% | 0.753 | S | S | . | * | trans | -77.4 | 107.8 | 173.1 | -174.2 | 0 | 0 | 0 | 0 | 106.4 | S15 Y19 | S15-V17 PolarHBondContact O-N 3.05Å; V17-Y19 VanDerWaalsContact C-N 3.35Å; V17-Y19 HydrophobicContact CB-CD2 4.18Å; V17-Y19 HydrophobicContact CB-CE1 4.45Å; V17-Y19 HydrophobicContact CB-CE2 3.53Å; V17-Y19 HydrophobicContact CG1-CD1 4.14Å; V17-Y19 HydrophobicContact CG1-CD2 4.12Å; V17-Y19 HydrophobicContact CG1-CE1 3.61Å; V17-Y19 HydrophobicContact CG1-CE2 3.6Å; V17-Y19 HydrophobicContact CG1-CG 4.37Å; V17-Y19 WeakPolarHBondContact O-CD2 3.22Å; V17-Y19 PolarHBondContact O-N 3.48Å | ||
| 18 | K | 71.1 | Confident | 64 | Low | 198 Ų | 198 | 126.1 Ų | 126.1 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | trans | -68.4 | 94.9 | 173 | -82.7 | -175 | 174.7 | -176 | 0 | 108.1 | K16 S20 | K16-K18 PolarHBondContact O-N 3.25Å; K18-S20 PolarHBondContact O-N 2.97Å | ||
| 19 | Y | 70.9 | Confident | 64.9 | Low | 193 Ų | 193 | 125 Ų | 125 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | trans | -81.5 | 112.2 | 166 | -60.7 | -76.8 | 0 | 0 | 0 | 108.2 | V17 | V17-Y19 VanDerWaalsContact C-N 3.35Å; V17-Y19 HydrophobicContact CB-CD2 4.18Å; V17-Y19 HydrophobicContact CB-CE1 4.45Å; V17-Y19 HydrophobicContact CB-CE2 3.53Å; V17-Y19 HydrophobicContact CG1-CD1 4.14Å; V17-Y19 HydrophobicContact CG1-CD2 4.12Å; V17-Y19 HydrophobicContact CG1-CE1 3.61Å; V17-Y19 HydrophobicContact CG1-CE2 3.6Å; V17-Y19 HydrophobicContact CG1-CG 4.37Å; V17-Y19 WeakPolarHBondContact O-CD2 3.22Å; V17-Y19 PolarHBondContact O-N 3.48Å | ||
| 20 | S | 76.1 | Confident | 66.1 | Low | 109 Ų | 109 | 125.6 Ų | 125.6 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 125.5 | 165.2 | 49.5 | 0 | 0 | 0 | 0 | 108.3 | K18 L22 | K18-S20 PolarHBondContact O-N 2.97Å; S20-L22 PolarHBondContact O-N 3.48Å |
| 21 | K | 72.1 | Confident | 67 | Low | 190 Ų | 190 | 127.8 Ų | 127.8 | 83% | 0.826 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 123.9 | 172.2 | -164.6 | -177.2 | -178.8 | -177.5 | 0 | 107.9 | S23 | K21-S23 PolarHBondContact O-N 3.26Š|
| 22 | L | 69.3 | Low | 67.8 | Low | 160 Ų | 160 | 129.9 Ų | 129.9 | 84% | 0.838 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 138.2 | 172.4 | -74.7 | 161.6 | 0 | 0 | 0 | 108.5 | S20 S24 | S20-L22 PolarHBondContact O-N 3.48Å; L22-S24 PolarHBondContact O-N 3.29Å |
| 23 | S | 68.3 | Low | 68.2 | Low | 86 Ų | 86 | 127 Ų | 127 | 60% | 0.601 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 127.9 | 178.7 | 46.6 | 0 | 0 | 0 | 0 | 109.3 | K21 T25 | K21-S23 PolarHBondContact O-N 3.26Å; S23-T25 PolarHBondContact O-N 3.04Å |
| 24 | S | 65.4 | Low | 69.1 | Low | 113 Ų | 113 | 128.4 Ų | 128.4 | 79% | 0.79 | 68% | 0.683 | S | S | * | * | trans | -71.4 | 7.5 | 177.6 | -25.3 | 0 | 0 | 0 | 0 | 113.6 | L22 D26 | L22-S24 PolarHBondContact O-N 3.29Å; S24-D26 PolarHBondContact O-N 2.84Å | ||
| 25 | T | 67.3 | Low | 69.5 | Low | 102 Ų | 102 | 130.6 Ų | 130.6 | 63% | 0.626 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -77.1 | 120.8 | 179.3 | -54.6 | 0 | 0 | 0 | 0 | 107.1 | S23 D27 | S23-T25 PolarHBondContact O-N 3.04Å; T25-D27 PolarHBondContact O-N 3.48Å |
| 26 | D | 65.9 | Low | 69.5 | Low | 142 Ų | 142 | 134.5 Ų | 134.5 | 76% | 0.759 | 68% | 0.684 | S | S | * | * | trans | -48.3 | 102.1 | 169.1 | -178 | 40.8 | 0 | 0 | 0 | 108.4 | S24 G28 | S24-D26 PolarHBondContact O-N 2.84Å; D26-G28 PolarHBondContact O-N 3.2Å | ||
| 27 | D | 67.8 | Low | 69.4 | Low | 111 Ų | 111 | 129.6 Ų | 129.6 | 59% | 0.594 | 68% | 0.675 | S | S | * | * | trans | -74.6 | 12.4 | -169.3 | 26.1 | -50.6 | 0 | 0 | 0 | 111.7 | T25 Y29 | T25-D27 PolarHBondContact O-N 3.48Å; D27-Y29 HydrophobicContact CB-CD2 3.69Å; D27-Y29 HydrophobicContact CB-CE2 4.12Å; D27-Y29 WeakPolarHBondContact O-CD2 3.12Å; D27-Y29 PolarHBondContact O-N 2.94Å | ||
| 28 | G | 70.6 | Confident | 69.1 | Low | 56 Ų | 56 | 131.4 Ų | 131.4 | 58% | 0.577 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 70.1 | 6.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D26 I30 | D26-G28 PolarHBondContact O-N 3.2Å; G28-I30 PolarHBondContact O-N 3.18Å |
| 29 | Y | 67.6 | Low | 68.9 | Low | 141 Ų | 141 | 125.9 Ų | 125.9 | 55% | 0.553 | 67% | 0.673 | S | S | * | * | trans | -76.9 | 106.4 | -179.5 | -78.4 | -97.1 | 0 | 0 | 0 | 109.5 | D27 Q33 F34 | D27-Y29 HydrophobicContact CB-CD2 3.69Å; D27-Y29 HydrophobicContact CB-CE2 4.12Å; D27-Y29 WeakPolarHBondContact O-CD2 3.12Å; D27-Y29 PolarHBondContact O-N 2.94Å; Y29-Q33 VanDerWaalsContact C-NE2 3.27Å; Y29-F34 HydrophobicContact CD1-CZ 4.17Å | ||
| 30 | I | 73.9 | Confident | 69 | Low | 110 Ų | 110 | 122.5 Ų | 122.5 | 56% | 0.564 | 66% | 0.662 | S | S | * | * | trans | -84.4 | 138.1 | 170.4 | 58.1 | 176.8 | 0 | 0 | 0 | 110.5 | G28 L32 Q33 | G28-I30 PolarHBondContact O-N 3.18Å; I30-L32 HydrophobicContact CD1-CB 3.95Å; I30-L32 HydrophobicContact CG1-CB 4.14Å; I30-L32 PolarHBondContact O-N 3.29Å; I30-Q33 HydrophobicContact CG1-CB 4.46Å; I30-Q33 VanDerWaalsContact O-CG 3.22Å; I30-Q33 WeakPolarHBondContact O-CG 3.22Å; I30-Q33 PolarHBondContact O-N 3.35Å; I30-Q33 PolarHBondContact O-NE2 3.26Å | ||
| 31 | D | 70.9 | Confident | 69 | Low | 139 Ų | 139 | 119.9 Ų | 119.9 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -56.1 | -23.1 | 176 | -71.7 | -18.9 | 0 | 0 | 0 | 112.9 | Q33 F34 | D31-Q33 PolarHBondContact O-N 3.31Å; D31-F34 PolarHBondContact O-N 2.99Å |
| 32 | L | 68.1 | Low | 69.5 | Low | 120 Ų | 120 | 111.1 Ų | 111.1 | 63% | 0.628 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -61.1 | -27.6 | 175.5 | -102 | 75.4 | 0 | 0 | 0 | 113.5 | I30 F34 K35 | I30-L32 HydrophobicContact CD1-CB 3.95Å; I30-L32 HydrophobicContact CG1-CB 4.14Å; I30-L32 PolarHBondContact O-N 3.29Å; L32-F34 PolarHBondContact O-N 3Å; L32-K35 WeakPolarHBondContact O-CB 3.44Å; L32-K35 PolarHBondContact O-N 3.21Å |
| 33 | Q | 70 | Confident | 70.1 | Confident | 92 Ų | 92 | 111.5 Ų | 111.5 | 43% | 0.43 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -71.1 | -21.9 | -179.5 | 81.2 | -164.5 | -71.9 | 0 | 0 | 112.9 | Y29 I30 D31 | Y29-Q33 VanDerWaalsContact C-NE2 3.27Å; I30-Q33 HydrophobicContact CG1-CB 4.46Å; I30-Q33 VanDerWaalsContact O-CG 3.22Å; I30-Q33 WeakPolarHBondContact O-CG 3.22Å; I30-Q33 PolarHBondContact O-N 3.35Å; I30-Q33 PolarHBondContact O-NE2 3.26Å; D31-Q33 PolarHBondContact O-N 3.31Å |
| 34 | F | 73.9 | Confident | 70.9 | Confident | 152 Ų | 152 | 113.1 Ų | 113.1 | 67% | 0.667 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -90.7 | -7 | 176.7 | -58.4 | -69.8 | 0 | 0 | 0 | 112 | Y29 D31 L32 K36 | Y29-F34 HydrophobicContact CD1-CZ 4.17Å; D31-F34 PolarHBondContact O-N 2.99Å; L32-F34 PolarHBondContact O-N 3Å; F34-K36 PolarHBondContact O-N 2.89Å |
| 35 | K | 68.9 | Low | 72 | Confident | 157 Ų | 157 | 107.9 Ų | 107.9 | 68% | 0.683 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -76.3 | 111.4 | 170.3 | -79.4 | -175.6 | 162.4 | 179.4 | 0 | 108.8 | L32 S37 | L32-K35 WeakPolarHBondContact O-CB 3.44Å; L32-K35 PolarHBondContact O-N 3.21Å; K35-S37 PolarHBondContact O-N 2.92Å |
| 36 | K | 64.6 | Low | 72.9 | Confident | 172 Ų | 172 | 104.6 Ų | 104.6 | 75% | 0.748 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -50.9 | 130.9 | 163.2 | -101.4 | -169.2 | 170.9 | -164.9 | 0 | 108.6 | F34 D113 | F34-K36 PolarHBondContact O-N 2.89Å; K36-D113 IonicContact NZ-OD2 2.92Å; K36-D113 PolarHBondContact NZ-OD2 3.3Å |
| 37 | S | 63.1 | Low | 74.1 | Confident | 100 Ų | 100 | 100.3 Ų | 100.3 | 70% | 0.699 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -50.2 | 147.5 | 167.8 | -60.6 | 0 | 0 | 0 | 0 | 110.1 | K35 | K35-S37 PolarHBondContact O-N 2.92Š|
| 38 | P | 65.4 | Low | 75.2 | Confident | 117 Ų | 117 | 99 Ų | 99 | 76% | 0.76 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 129.7 | 177.4 | 21 | -31.4 | 0 | 0 | 0 | 109.3 | K40 | P38-K40 PolarHBondContact O-N 3.25Å; P38-K40 VanDerWaalsContact O-N 3.13Å |
| 39 | P | 66.9 | Low | 76.2 | Confident | 81 Ų | 81 | 96.5 Ų | 96.5 | 53% | 0.526 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 120.6 | -175.5 | 23 | -31.5 | 0 | 0 | 0 | 109.2 | I41 | P39-I41 PolarHBondContact O-N 3.45Š|
| 40 | K | 72.8 | Confident | 77.5 | Confident | 122 Ų | 122 | 93.4 Ų | 93.4 | 53% | 0.53 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 123.7 | 173.3 | -177.8 | -174.7 | 168.6 | -149.9 | 0 | 107.3 | P38 P42 D117 D119 | P38-K40 PolarHBondContact O-N 3.25Å; P38-K40 VanDerWaalsContact O-N 3.13Å; K40-P42 VanDerWaalsContact O-CD 3.3Å; K40-P42 WeakPolarHBondContact O-CD 3.47Å; K40-D117 IonicContact NZ-OD2 2.67Å; K40-D117 PolarHBondContact NZ-OD2 2.92Å; K40-D117 VanDerWaalsContact NZ-OD2 3.08Å; K40-D119 VanDerWaalsContact CE-OD2 3.31Å; K40-D119 WeakPolarHBondContact CE-OD2 3.49Å; K40-D119 IonicContact NZ-OD2 3.08Å; K40-D119 PolarHBondContact NZ-OD2 3.28Å |
| 41 | I | 75.7 | Confident | 78.5 | Confident | 55 Ų | 55 | 91.9 Ų | 91.9 | 28% | 0.282 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 118.9 | 177.6 | -59.1 | 166.9 | 0 | 0 | 0 | 107.6 | P39 Y43 I46 Y112 | P39-I41 PolarHBondContact O-N 3.45Å; I41-Y43 VanDerWaalsContact C-N 3.27Å; I41-Y43 HydrophobicContact CB-CD2 4.23Å; I41-Y43 HydrophobicContact CB-CE1 4.46Å; I41-Y43 HydrophobicContact CB-CE2 3.76Å; I41-Y43 HydrophobicContact CG2-CD1 4.17Å; I41-Y43 HydrophobicContact CG2-CD2 4.29Å; I41-Y43 HydrophobicContact CG2-CE1 3.92Å; I41-Y43 HydrophobicContact CG2-CE2 4.05Å; I41-Y43 HydrophobicContact CG2-CG 4.35Å; I41-Y43 WeakPolarHBondContact O-CD2 3.12Å; I41-Y43 PolarHBondContact O-N 3.03Å; I41-I46 HydrophobicContact CG2-CD1 3.85Å; I41-Y112 HydrophobicContact CG1-CD2 4.16Å; I41-Y112 HydrophobicContact CG1-CE2 4.05Å; I41-Y112 HydrophobicContact CG2-CD1 4.24Å; I41-Y112 HydrophobicContact CG2-CE1 4.02Å |
| 42 | P | 83.8 | Confident | 79.6 | Confident | 6 Ų | 6 | 87.7 Ų | 87.7 | 4% | 0.039 | 45% | 0.447 | C | S | . | . | trans | -79.4 | 75.7 | -177.3 | 32.2 | -34.9 | 0 | 0 | 0 | 110.3 | K40 K44 A45 I46 I115 | K40-P42 VanDerWaalsContact O-CD 3.3Å; K40-P42 WeakPolarHBondContact O-CD 3.47Å; P42-K44 VanDerWaalsContact C-N 3.3Å; P42-K44 PolarHBondContact O-N 3.47Å; P42-A45 HydrophobicContact CB-CB 4.06Å; P42-A45 PolarHBondContact O-N 3.11Å; P42-I46 WeakPolarHBondContact O-CG1 3.21Å; P42-I46 PolarHBondContact O-N 2.93Å; P42-I46 VanDerWaalsContact O-N 3.11Å; P42-I115 HydrophobicContact CG-CB 3.89Å; P42-I115 HydrophobicContact CG-CD1 4.27Å; P42-I115 HydrophobicContact CG-CG2 3.93Å | ||
| 43 | Y | 81.6 | Confident | 80.9 | Confident | 167 Ų | 167 | 84.4 Ų | 84.4 | 66% | 0.655 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -58.1 | -38.2 | -175.4 | -70.6 | -77.5 | 0 | 0 | 0 | 113.3 | I41 I46 A47 | I41-Y43 VanDerWaalsContact C-N 3.27Å; I41-Y43 HydrophobicContact CB-CD2 4.23Å; I41-Y43 HydrophobicContact CB-CE1 4.46Å; I41-Y43 HydrophobicContact CB-CE2 3.76Å; I41-Y43 HydrophobicContact CG2-CD1 4.17Å; I41-Y43 HydrophobicContact CG2-CD2 4.29Å; I41-Y43 HydrophobicContact CG2-CE1 3.92Å; I41-Y43 HydrophobicContact CG2-CE2 4.05Å; I41-Y43 HydrophobicContact CG2-CG 4.35Å; I41-Y43 WeakPolarHBondContact O-CD2 3.12Å; I41-Y43 PolarHBondContact O-N 3.03Å; Y43-I46 PolarHBondContact O-N 2.79Å; Y43-A47 WeakPolarHBondContact O-CB 3.17Å; Y43-A47 PolarHBondContact O-N 3.05Å |
| 44 | K | 85.6 | Confident | 82.2 | Confident | 121 Ų | 121 | 85.8 Ų | 85.8 | 53% | 0.526 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 178.6 | -63.1 | -166.1 | -166.9 | 151.9 | 0 | 111.9 | P42 A47 L48 D119 | P42-K44 VanDerWaalsContact C-N 3.3Å; P42-K44 PolarHBondContact O-N 3.47Å; K44-A47 PolarHBondContact O-N 3.3Å; K44-L48 WeakPolarHBondContact O-CB 3.34Å; K44-L48 PolarHBondContact O-N 3.22Å; K44-D119 WeakPolarHBondContact CD-OD1 3.3Å; K44-D119 WeakPolarHBondContact CE-OD1 3.41Å; K44-D119 IonicContact NZ-OD1 2.64Å; K44-D119 PolarHBondContact NZ-OD1 3.42Å |
| 45 | A | 87.2 | Confident | 83.3 | Confident | 3 Ų | 3 | 82.5 Ų | 82.5 | 3% | 0.025 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65.5 | -41 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P42 L48 A49 I115 P116 F118 | P42-A45 HydrophobicContact CB-CB 4.06Å; P42-A45 PolarHBondContact O-N 3.11Å; A45-L48 PolarHBondContact O-N 3.33Å; A45-A49 WeakPolarHBondContact O-CB 3.4Å; A45-A49 PolarHBondContact O-N 2.85Å; A45-I115 HydrophobicContact CB-CG2 3.41Å; A45-I115 VanDerWaalsContact CB-CG2 3.41Å; A45-P116 WeakPolarHBondContact CB-O 3.38Å; A45-F118 HydrophobicContact CB-CD2 3.68Å; A45-F118 HydrophobicContact CB-CE2 3.91Å |
| 46 | I | 87.6 | Confident | 84.6 | Confident | 32 Ų | 32 | 75 Ų | 75 | 16% | 0.164 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 175.6 | -63.3 | 167.8 | 0 | 0 | 0 | 110.3 | I41 P42 Y43 L48 A49 I50 A100 Y112 I115 | I41-I46 HydrophobicContact CG2-CD1 3.85Å; P42-I46 WeakPolarHBondContact O-CG1 3.21Å; P42-I46 PolarHBondContact O-N 2.93Å; P42-I46 VanDerWaalsContact O-N 3.11Å; Y43-I46 PolarHBondContact O-N 2.79Å; I46-L48 VanDerWaalsContact C-N 3.34Å; I46-L48 PolarHBondContact O-N 3Å; I46-A49 PolarHBondContact O-N 3.13Å; I46-I50 HydrophobicContact CG2-CD1 3.97Å; I46-I50 VanDerWaalsContact O-CG1 3.29Å; I46-I50 WeakPolarHBondContact O-CG1 3.3Å; I46-I50 PolarHBondContact O-N 3.48Å; I46-A100 HydrophobicContact CD1-CB 4.29Å; I46-A100 HydrophobicContact CG1-CB 3.99Å; I46-Y112 HydrophobicContact CD1-CD1 4.32Å; I46-Y112 HydrophobicContact CD1-CE1 3.95Å; I46-I115 HydrophobicContact CG1-CD1 4.28Å |
| 47 | A | 90.1 | Very high | 86.1 | Confident | 52 Ų | 52 | 68.7 Ų | 68.7 | 43% | 0.43 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.7 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y43 K44 I50 V51 | Y43-A47 WeakPolarHBondContact O-CB 3.17Å; Y43-A47 PolarHBondContact O-N 3.05Å; K44-A47 PolarHBondContact O-N 3.3Å; A47-I50 PolarHBondContact O-N 2.91Å; A47-V51 WeakPolarHBondContact O-CG2 3.16Å; A47-V51 PolarHBondContact O-N 3.48Å |
| 48 | L | 91.3 | Very high | 87.7 | Confident | 84 Ų | 84 | 70.1 Ų | 70.1 | 44% | 0.44 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 175.7 | -176.8 | 130.3 | 0 | 0 | 0 | 111.8 | K44 A45 I46 I50 V51 L52 F118 | K44-L48 WeakPolarHBondContact O-CB 3.34Å; K44-L48 PolarHBondContact O-N 3.22Å; A45-L48 PolarHBondContact O-N 3.33Å; I46-L48 VanDerWaalsContact C-N 3.34Å; I46-L48 PolarHBondContact O-N 3Å; L48-I50 VanDerWaalsContact C-N 3.32Å; L48-I50 PolarHBondContact O-N 3.23Å; L48-V51 PolarHBondContact O-N 3.36Å; L48-V51 VanDerWaalsContact O-N 3.16Å; L48-L52 HydrophobicContact CD2-CD1 3.99Å; L48-L52 HydrophobicContact CG-CD1 3.89Å; L48-L52 VanDerWaalsContact O-CD1 3.25Å; L48-L52 WeakPolarHBondContact O-CD1 3.21Å; L48-L52 PolarHBondContact O-N 3.22Å; L48-F118 HydrophobicContact CD2-CE2 4.42Å |
| 49 | A | 92.2 | Very high | 89.1 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 3% | 0.025 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A45 I46 F53 H96 | A45-A49 WeakPolarHBondContact O-CB 3.4Å; A45-A49 PolarHBondContact O-N 2.85Å; I46-A49 PolarHBondContact O-N 3.13Å; A49-F53 VanDerWaalsContact O-CB 3.24Å; A49-F53 WeakPolarHBondContact O-CB 3.42Å; A49-F53 PolarHBondContact O-N 3.4Å; A49-H96 HydrophobicContact CB-CB 3.8Å |
| 50 | I | 93.5 | Very high | 90.5 | Very high | 76 Ų | 76 | 64.9 Ų | 64.9 | 39% | 0.39 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 174.9 | -67.4 | 165.2 | 0 | 0 | 0 | 110.5 | I46 A47 L48 F53 M54 L97 | I46-I50 HydrophobicContact CG2-CD1 3.97Å; I46-I50 VanDerWaalsContact O-CG1 3.29Å; I46-I50 WeakPolarHBondContact O-CG1 3.3Å; I46-I50 PolarHBondContact O-N 3.48Å; A47-I50 PolarHBondContact O-N 2.91Å; L48-I50 VanDerWaalsContact C-N 3.32Å; L48-I50 PolarHBondContact O-N 3.23Å; I50-F53 PolarHBondContact O-N 2.95Å; I50-M54 HydrophobicContact CG2-CG 4.28Å; I50-M54 WeakPolarHBondContact O-CB 3.3Å; I50-M54 VanDerWaalsContact O-CG 3.25Å; I50-M54 WeakPolarHBondContact O-CG 3.28Å; I50-M54 PolarHBondContact O-N 3.4Å; I50-L97 HydrophobicContact CD1-CD1 4.45Å; I50-L97 HydrophobicContact CG1-CD1 3.69Å |
| 51 | V | 95.1 | Very high | 91.5 | Very high | 78 Ų | 78 | 63.3 Ų | 63.3 | 47% | 0.473 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.6 | -48.7 | 178.8 | 170.9 | 0 | 0 | 0 | 0 | 111 | A47 L48 F53 M54 I55 | A47-V51 WeakPolarHBondContact O-CG2 3.16Å; A47-V51 PolarHBondContact O-N 3.48Å; L48-V51 PolarHBondContact O-N 3.36Å; L48-V51 VanDerWaalsContact O-N 3.16Å; V51-F53 VanDerWaalsContact C-N 3.32Å; V51-F53 PolarHBondContact O-N 2.8Å; V51-M54 PolarHBondContact O-N 3.47Å; V51-I55 HydrophobicContact CG1-CD1 3.62Å; V51-I55 HydrophobicContact CG1-CG1 4.41Å; V51-I55 WeakPolarHBondContact O-CB 3.46Å; V51-I55 VanDerWaalsContact O-CG1 3.31Å; V51-I55 WeakPolarHBondContact O-CG1 3.3Å; V51-I55 PolarHBondContact O-N 3.15Å |
| 52 | L | 94.2 | Very high | 92.3 | Very high | 51 Ų | 51 | 63.2 Ų | 63.2 | 27% | 0.267 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 176.5 | -91.2 | 70.6 | 0 | 0 | 0 | 111.5 | L48 G56 V89 P92 | L48-L52 HydrophobicContact CD2-CD1 3.99Å; L48-L52 HydrophobicContact CG-CD1 3.89Å; L48-L52 VanDerWaalsContact O-CD1 3.25Å; L48-L52 WeakPolarHBondContact O-CD1 3.21Å; L48-L52 PolarHBondContact O-N 3.22Å; L52-G56 PolarHBondContact O-N 3.2Å; L52-V89 HydrophobicContact CB-CG1 4.46Å; L52-V89 HydrophobicContact CG-CG1 4.37Å; L52-P92 HydrophobicContact CD2-CG 4.22Å |
| 53 | F | 95.2 | Very high | 92.6 | Very high | 52 Ų | 52 | 63 Ų | 63 | 23% | 0.228 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 177.6 | 176.8 | -99.3 | 0 | 0 | 0 | 112.1 | A49 I50 V51 T57 F90 F94 L97 | A49-F53 VanDerWaalsContact O-CB 3.24Å; A49-F53 WeakPolarHBondContact O-CB 3.42Å; A49-F53 PolarHBondContact O-N 3.4Å; I50-F53 PolarHBondContact O-N 2.95Å; V51-F53 VanDerWaalsContact C-N 3.32Å; V51-F53 PolarHBondContact O-N 2.8Å; F53-T57 VanDerWaalsContact O-CB 3.27Å; F53-T57 WeakPolarHBondContact O-CB 3.16Å; F53-T57 PolarHBondContact O-N 3.19Å; F53-T57 PolarHBondContact O-OG1 3.33Å; F53-F90 AromaticContact CD2-CD2 3.91Å; F53-F90 HydrophobicContact CD2-CD2 3.91Å; F53-F90 AromaticContact CD2-CE2 3.5Å; F53-F90 HydrophobicContact CD2-CE2 3.5Å; F53-F90 VanDerWaalsContact CD2-CE2 3.5Å; F53-F90 HydrophobicContact CD2-CZ 4.11Å; F53-F90 HydrophobicContact CE2-CD2 4.02Å; F53-F90 AromaticContact CE2-CE2 3.14Å; F53-F90 HydrophobicContact CE2-CE2 3.14Å; F53-F90 AromaticContact CE2-CZ 3.57Å; F53-F90 HydrophobicContact CE2-CZ 3.57Å; F53-F90 AromaticContact CZ-CE2 4Å; F53-F90 HydrophobicContact CZ-CE2 4Å; F53-F94 HydrophobicContact CD2-CB 3.99Å; F53-F94 HydrophobicContact CD2-CD2 4.18Å; F53-F94 HydrophobicContact CE2-CB 4.28Å; F53-F94 AromaticContact CE2-CD2 3.73Å; F53-F94 HydrophobicContact CE2-CD2 3.73Å; F53-F94 HydrophobicContact CE2-CG 4.45Å; F53-L97 HydrophobicContact CB-CD2 4.22Å; F53-L97 HydrophobicContact CD1-CD2 3.94Å; F53-L97 HydrophobicContact CD2-CD2 4.33Å; F53-L97 HydrophobicContact CE1-CD2 4.41Å; F53-L97 HydrophobicContact CG-CD2 3.9Å |
| 54 | M | 97.3 | Very high | 93.1 | Very high | 120 Ų | 120 | 57.1 Ų | 57.1 | 59% | 0.591 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.7 | -47.5 | 179 | -72 | -61.4 | -66.3 | 0 | 0 | 111.7 | I50 V51 T57 F58 | I50-M54 HydrophobicContact CG2-CG 4.28Å; I50-M54 WeakPolarHBondContact O-CB 3.3Å; I50-M54 VanDerWaalsContact O-CG 3.25Å; I50-M54 WeakPolarHBondContact O-CG 3.28Å; I50-M54 PolarHBondContact O-N 3.4Å; V51-M54 PolarHBondContact O-N 3.47Å; M54-T57 PolarHBondContact O-N 3.43Å; M54-F58 WeakPolarHBondContact O-CB 3.45Å; M54-F58 PolarHBondContact O-N 3.22Å |
| 55 | I | 96.8 | Very high | 93.4 | Very high | 83 Ų | 83 | 54.7 Ų | 54.7 | 43% | 0.426 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.9 | -49.4 | 178.3 | -67.3 | 170.6 | 0 | 0 | 0 | 110.2 | V51 T57 F58 L59 V89 | V51-I55 HydrophobicContact CG1-CD1 3.62Å; V51-I55 HydrophobicContact CG1-CG1 4.41Å; V51-I55 WeakPolarHBondContact O-CB 3.46Å; V51-I55 VanDerWaalsContact O-CG1 3.31Å; V51-I55 WeakPolarHBondContact O-CG1 3.3Å; V51-I55 PolarHBondContact O-N 3.15Å; I55-T57 PolarHBondContact O-N 2.95Å; I55-F58 PolarHBondContact O-N 3.35Å; I55-L59 HydrophobicContact CG2-CD1 3.75Å; I55-L59 WeakPolarHBondContact O-CD1 3.11Å; I55-L59 PolarHBondContact O-N 3.01Å; I55-V89 HydrophobicContact CG2-CG1 4.4Å |
| 56 | G | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L52 F58 L59 I60 | L52-G56 PolarHBondContact O-N 3.2Å; G56-F58 PolarHBondContact O-N 3.29Å; G56-L59 PolarHBondContact O-N 3.42Å; G56-I60 VanDerWaalsContact O-CG1 3.25Å; G56-I60 WeakPolarHBondContact O-CG1 3.31Å; G56-I60 PolarHBondContact O-N 2.91Å |
| 57 | T | 97.1 | Very high | 93.4 | Very high | 40 Ų | 40 | 59 Ų | 59 | 25% | 0.245 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61 | -44.6 | 176.4 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | F53 M54 I55 I60 I61 F90 | F53-T57 VanDerWaalsContact O-CB 3.27Å; F53-T57 WeakPolarHBondContact O-CB 3.16Å; F53-T57 PolarHBondContact O-N 3.19Å; F53-T57 PolarHBondContact O-OG1 3.33Å; M54-T57 PolarHBondContact O-N 3.43Å; I55-T57 PolarHBondContact O-N 2.95Å; T57-I60 PolarHBondContact O-N 3.42Å; T57-I61 HydrophobicContact CG2-CD1 3.85Å; T57-I61 HydrophobicContact CG2-CG1 4.47Å; T57-I61 VanDerWaalsContact O-CG1 3.27Å; T57-I61 WeakPolarHBondContact O-CG1 3.17Å; T57-I61 PolarHBondContact O-N 3.5Å; T57-F90 WeakPolarHBondContact OG1-CD2 3.46Å; T57-F90 WeakPolarHBondContact OG1-CE2 3.3Å |
| 58 | F | 96.4 | Very high | 93.3 | Very high | 130 Ų | 130 | 59.6 Ų | 59.6 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.3 | -44.3 | 178.2 | -172.7 | -111.2 | 0 | 0 | 0 | 112 | M54 I55 G56 I60 I61 I62 | M54-F58 WeakPolarHBondContact O-CB 3.45Å; M54-F58 PolarHBondContact O-N 3.22Å; I55-F58 PolarHBondContact O-N 3.35Å; G56-F58 PolarHBondContact O-N 3.29Å; F58-I60 PolarHBondContact O-N 2.97Å; F58-I61 PolarHBondContact O-N 3.16Å; F58-I62 HydrophobicContact CD1-CD1 3.59Å; F58-I62 HydrophobicContact CD2-CD1 4.47Å; F58-I62 HydrophobicContact CE1-CD1 3.19Å; F58-I62 HydrophobicContact CE1-CG1 4.37Å; F58-I62 HydrophobicContact CE2-CD1 4.13Å; F58-I62 HydrophobicContact CG-CD1 4.23Å; F58-I62 HydrophobicContact CZ-CD1 3.5Å; F58-I62 HydrophobicContact CZ-CG1 4.38Å; F58-I62 WeakPolarHBondContact O-CG1 3.4Å; F58-I62 PolarHBondContact O-N 3.2Å |
| 59 | L | 94.9 | Very high | 92.9 | Very high | 43 Ų | 43 | 57.6 Ų | 57.6 | 23% | 0.225 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 175.8 | -91 | 73.6 | 0 | 0 | 0 | 112.1 | I55 G56 I62 G63 I85 | I55-L59 HydrophobicContact CG2-CD1 3.75Å; I55-L59 WeakPolarHBondContact O-CD1 3.11Å; I55-L59 PolarHBondContact O-N 3.01Å; G56-L59 PolarHBondContact O-N 3.42Å; L59-I62 PolarHBondContact O-N 3.25Å; L59-G63 PolarHBondContact O-N 2.88Å; L59-I85 HydrophobicContact CD2-CB 4.43Å; L59-I85 HydrophobicContact CD2-CG2 3.77Å |
| 60 | I | 95.8 | Very high | 92.5 | Very high | 44 Ų | 44 | 66.6 Ų | 66.6 | 23% | 0.226 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 176.1 | -69.2 | 167.4 | 0 | 0 | 0 | 110.5 | G56 T57 F58 G63 A64 I87 F90 | G56-I60 VanDerWaalsContact O-CG1 3.25Å; G56-I60 WeakPolarHBondContact O-CG1 3.31Å; G56-I60 PolarHBondContact O-N 2.91Å; T57-I60 PolarHBondContact O-N 3.42Å; F58-I60 PolarHBondContact O-N 2.97Å; I60-G63 PolarHBondContact O-N 3.48Å; I60-A64 VanDerWaalsContact O-CB 3.26Å; I60-A64 WeakPolarHBondContact O-CB 3.29Å; I60-A64 PolarHBondContact O-N 3.08Å; I60-I87 HydrophobicContact CD1-CG1 4.12Å; I60-I87 HydrophobicContact CG1-CG1 4.17Å; I60-F90 HydrophobicContact CD1-CB 3.7Å; I60-F90 HydrophobicContact CD1-CD1 4.38Å; I60-F90 HydrophobicContact CD1-CD2 4.1Å; I60-F90 HydrophobicContact CD1-CG 3.82Å |
| 61 | I | 94.9 | Very high | 91.6 | Very high | 90 Ų | 90 | 68 Ų | 68 | 46% | 0.462 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 177.7 | -68.9 | 164.9 | 0 | 0 | 0 | 110.3 | T57 F58 A64 L65 | T57-I61 HydrophobicContact CG2-CD1 3.85Å; T57-I61 HydrophobicContact CG2-CG1 4.47Å; T57-I61 VanDerWaalsContact O-CG1 3.27Å; T57-I61 WeakPolarHBondContact O-CG1 3.17Å; T57-I61 PolarHBondContact O-N 3.5Å; F58-I61 PolarHBondContact O-N 3.16Å; I61-A64 PolarHBondContact O-N 3.07Å; I61-L65 HydrophobicContact CG2-CD1 3.96Å; I61-L65 HydrophobicContact CG2-CG 4.43Å; I61-L65 WeakPolarHBondContact O-CB 3.15Å; I61-L65 VanDerWaalsContact O-CG 3.28Å; I61-L65 WeakPolarHBondContact O-CG 3.02Å; I61-L65 PolarHBondContact O-N 3.39Å |
| 62 | I | 92.3 | Very high | 90.1 | Very high | 53 Ų | 53 | 66.5 Ų | 66.5 | 27% | 0.272 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 177.2 | -69.8 | 171 | 0 | 0 | 0 | 110.9 | F58 L59 A64 L65 L66 V82 | F58-I62 HydrophobicContact CD1-CD1 3.59Å; F58-I62 HydrophobicContact CD2-CD1 4.47Å; F58-I62 HydrophobicContact CE1-CD1 3.19Å; F58-I62 HydrophobicContact CE1-CG1 4.37Å; F58-I62 HydrophobicContact CE2-CD1 4.13Å; F58-I62 HydrophobicContact CG-CD1 4.23Å; F58-I62 HydrophobicContact CZ-CD1 3.5Å; F58-I62 HydrophobicContact CZ-CG1 4.38Å; F58-I62 WeakPolarHBondContact O-CG1 3.4Å; F58-I62 PolarHBondContact O-N 3.2Å; L59-I62 PolarHBondContact O-N 3.25Å; I62-A64 VanDerWaalsContact C-N 3.3Å; I62-A64 PolarHBondContact O-N 3.44Å; I62-L65 PolarHBondContact O-N 3.11Å; I62-L66 HydrophobicContact CG2-CD1 3.85Å; I62-L66 HydrophobicContact CG2-CG 4.27Å; I62-L66 WeakPolarHBondContact O-CB 3.12Å; I62-L66 VanDerWaalsContact O-CG 3.3Å; I62-L66 WeakPolarHBondContact O-CG 3.42Å; I62-L66 PolarHBondContact O-N 3.21Å; I62-V82 HydrophobicContact CG2-CG1 4.48Å |
| 63 | G | 91.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.7 | -41.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L59 I60 L66 L67 | L59-G63 PolarHBondContact O-N 2.88Å; I60-G63 PolarHBondContact O-N 3.48Å; G63-L66 PolarHBondContact O-N 3.29Å; G63-L67 WeakPolarHBondContact O-CB 3.46Å; G63-L67 PolarHBondContact O-N 2.67Å |
| 64 | A | 91.6 | Very high | 86.9 | Confident | 45 Ų | 45 | 74.6 Ų | 74.6 | 37% | 0.372 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I60 I61 I62 L67 A68 L83 | I60-A64 VanDerWaalsContact O-CB 3.26Å; I60-A64 WeakPolarHBondContact O-CB 3.29Å; I60-A64 PolarHBondContact O-N 3.08Å; I61-A64 PolarHBondContact O-N 3.07Å; I62-A64 VanDerWaalsContact C-N 3.3Å; I62-A64 PolarHBondContact O-N 3.44Å; A64-L67 PolarHBondContact O-N 3.05Å; A64-A68 VanDerWaalsContact O-CB 3.3Å; A64-A68 WeakPolarHBondContact O-CB 3.35Å; A64-A68 PolarHBondContact O-N 2.93Å; A64-L83 HydrophobicContact CB-CD1 4.46Å |
| 65 | L | 90.9 | Very high | 85.2 | Confident | 69 Ų | 69 | 70.1 Ų | 70.1 | 36% | 0.361 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.3 | -36.6 | 176.1 | -71.4 | 173.8 | 0 | 0 | 0 | 112.5 | I61 I62 G69 Y70 I71 | I61-L65 HydrophobicContact CG2-CD1 3.96Å; I61-L65 HydrophobicContact CG2-CG 4.43Å; I61-L65 WeakPolarHBondContact O-CB 3.15Å; I61-L65 VanDerWaalsContact O-CG 3.28Å; I61-L65 WeakPolarHBondContact O-CG 3.02Å; I61-L65 PolarHBondContact O-N 3.39Å; I62-L65 PolarHBondContact O-N 3.11Å; L65-G69 PolarHBondContact O-N 3.34Å; L65-Y70 HydrophobicContact CD2-CD2 4.26Å; L65-Y70 PolarHBondContact O-N 2.89Å; L65-I71 HydrophobicContact CB-CD1 3.68Å; L65-I71 HydrophobicContact CB-CG1 4.4Å; L65-I71 HydrophobicContact CD1-CD1 4.17Å |
| 66 | L | 89.1 | Confident | 84 | Confident | 37 Ų | 37 | 69.7 Ų | 69.7 | 19% | 0.194 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 172.2 | -74.8 | 171.3 | 0 | 0 | 0 | 111.1 | I62 G63 G69 I71 A79 | I62-L66 HydrophobicContact CG2-CD1 3.85Å; I62-L66 HydrophobicContact CG2-CG 4.27Å; I62-L66 WeakPolarHBondContact O-CB 3.12Å; I62-L66 VanDerWaalsContact O-CG 3.3Å; I62-L66 WeakPolarHBondContact O-CG 3.42Å; I62-L66 PolarHBondContact O-N 3.21Å; G63-L66 PolarHBondContact O-N 3.29Å; L66-G69 PolarHBondContact O-N 3Å; L66-I71 HydrophobicContact CD2-CB 3.97Å; L66-I71 HydrophobicContact CD2-CG2 3.81Å; L66-A79 HydrophobicContact CB-CB 3.69Å |
| 67 | L | 87 | Confident | 83.3 | Confident | 89 Ų | 89 | 76.1 Ų | 76.1 | 47% | 0.466 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 178.4 | -174 | 63.6 | 0 | 0 | 0 | 112.1 | G63 A64 G69 T76 A79 | G63-L67 WeakPolarHBondContact O-CB 3.46Å; G63-L67 PolarHBondContact O-N 2.67Å; A64-L67 PolarHBondContact O-N 3.05Å; L67-G69 PolarHBondContact O-N 3.19Å; L67-T76 HydrophobicContact CD1-CG2 3.93Å; L67-A79 HydrophobicContact CB-CB 3.9Å; L67-A79 HydrophobicContact CD1-CB 4.32Å |
| 68 | A | 87.4 | Confident | 82.6 | Confident | 64 Ų | 64 | 82.6 Ų | 82.6 | 53% | 0.529 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -4.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A64 Y70 | A64-A68 VanDerWaalsContact O-CB 3.3Å; A64-A68 WeakPolarHBondContact O-CB 3.35Å; A64-A68 PolarHBondContact O-N 2.93Å; A68-Y70 VanDerWaalsContact C-N 3.29Å; A68-Y70 HydrophobicContact CB-CD2 3.67Å; A68-Y70 HydrophobicContact CB-CE2 3.98Å; A68-Y70 PolarHBondContact O-N 3.25Å |
| 69 | G | 83.3 | Confident | 82.3 | Confident | 43 Ų | 43 | 76.4 Ų | 76.4 | 44% | 0.443 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 11.7 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | L65 L66 L67 I71 | L65-G69 PolarHBondContact O-N 3.34Å; L66-G69 PolarHBondContact O-N 3Å; L67-G69 PolarHBondContact O-N 3.19Å; G69-I71 VanDerWaalsContact C-N 3.35Å |
| 70 | Y | 83.1 | Confident | 82.1 | Confident | 191 Ų | 191 | 78.3 Ų | 78.3 | 75% | 0.749 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -68.9 | -31.8 | 178.1 | -80.9 | -79.7 | 0 | 0 | 0 | 112.9 | L65 A68 | L65-Y70 HydrophobicContact CD2-CD2 4.26Å; L65-Y70 PolarHBondContact O-N 2.89Å; A68-Y70 VanDerWaalsContact C-N 3.29Å; A68-Y70 HydrophobicContact CB-CD2 3.67Å; A68-Y70 HydrophobicContact CB-CE2 3.98Å; A68-Y70 PolarHBondContact O-N 3.25Å |
| 71 | I | 74.9 | Confident | 81.9 | Confident | 106 Ų | 106 | 79.2 Ų | 79.2 | 54% | 0.544 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -106.7 | -27.3 | -171.9 | -65.5 | 169.7 | 0 | 0 | 0 | 112.6 | L65 L66 G69 | L65-I71 HydrophobicContact CB-CD1 3.68Å; L65-I71 HydrophobicContact CB-CG1 4.4Å; L65-I71 HydrophobicContact CD1-CD1 4.17Å; L66-I71 HydrophobicContact CD2-CB 3.97Å; L66-I71 HydrophobicContact CD2-CG2 3.81Å; G69-I71 VanDerWaalsContact C-N 3.35Å |
| 72 | S | 64 | Low | 81.9 | Confident | 47 Ų | 47 | 77 Ų | 77 | 33% | 0.329 | 43% | 0.425 | S | S | . | . | trans | -149.2 | 133.6 | 179.9 | -166 | 0 | 0 | 0 | 0 | 112 | G74 | S72-G74 PolarHBondContact O-N 3.25Å; S72-G74 PolarHBondContact OG-N 2.81Å | ||
| 73 | K | 62.7 | Low | 81.9 | Confident | 227 Ų | 227 | 76.8 Ų | 76.8 | 99% | 0.987 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -73.5 | -6.7 | 172.2 | -100.6 | 179.2 | 172.2 | 174.4 | 0 | 113.4 | ||
| 74 | G | 58.3 | Low | 82.2 | Confident | 45 Ų | 45 | 81 Ų | 81 | 46% | 0.464 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -124.6 | 57.3 | -163.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | S72 | S72-G74 PolarHBondContact O-N 3.25Å; S72-G74 PolarHBondContact OG-N 2.81Å |
| 75 | G | 61.5 | Low | 82.4 | Confident | 27 Ų | 27 | 83.1 Ų | 83.1 | 28% | 0.278 | 45% | 0.45 | S | S | . | . | trans | 128.8 | 110.7 | 146 | 0 | 0 | 0 | 0 | 0 | 115.5 | D77 R78 | G75-D77 PolarHBondContact O-N 2.69Å; G75-R78 PolarHBondContact O-N 3.3Å | ||
| 76 | T | 71.1 | Confident | 82.6 | Confident | 73 Ų | 73 | 79.9 Ų | 79.9 | 45% | 0.448 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -34.9 | -34.9 | 148.5 | -57.8 | 0 | 0 | 0 | 0 | 112.4 | L67 R78 A79 I80 | L67-T76 HydrophobicContact CD1-CG2 3.93Å; T76-R78 PolarHBondContact O-N 2.88Å; T76-R78 VanDerWaalsContact O-N 3.16Å; T76-A79 PolarHBondContact O-N 3.34Å; T76-I80 HydrophobicContact CG2-CD1 3.47Å; T76-I80 VanDerWaalsContact CG2-CD1 3.47Å; T76-I80 HydrophobicContact CG2-CG1 3.82Å; T76-I80 WeakPolarHBondContact O-CG1 3.35Å; T76-I80 PolarHBondContact O-N 2.92Å |
| 77 | D | 81.8 | Confident | 83 | Confident | 135 Ų | 135 | 81.5 Ų | 81.5 | 72% | 0.722 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -52.6 | -32.3 | 175.9 | -48.3 | -18.6 | 0 | 0 | 0 | 114.3 | G75 P81 | G75-D77 PolarHBondContact O-N 2.69Å; D77-P81 WeakPolarHBondContact O-CD 3.24Å; D77-P81 WeakPolarHBondContact O-CG 3.27Å |
| 78 | R | 83.1 | Confident | 83.4 | Confident | 176 Ų | 176 | 82.8 Ų | 82.8 | 66% | 0.664 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -92.1 | -30.7 | 177.1 | -59.1 | -179.3 | -172.4 | -170.2 | 1.3 | 112.3 | G75 T76 V82 | G75-R78 PolarHBondContact O-N 3.3Å; T76-R78 PolarHBondContact O-N 2.88Å; T76-R78 VanDerWaalsContact O-N 3.16Å; R78-V82 VanDerWaalsContact O-CG2 3.32Å; R78-V82 WeakPolarHBondContact O-CG2 3.25Å |
| 79 | A | 89.6 | Confident | 83.8 | Confident | 1 Ų | 1 | 81.8 Ų | 81.8 | 1% | 0.008 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -72.8 | -42.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | L66 L67 T76 V82 L83 | L66-A79 HydrophobicContact CB-CB 3.69Å; L67-A79 HydrophobicContact CB-CB 3.9Å; L67-A79 HydrophobicContact CD1-CB 4.32Å; T76-A79 PolarHBondContact O-N 3.34Å; A79-V82 PolarHBondContact O-N 2.88Å; A79-L83 WeakPolarHBondContact O-CB 3.46Å; A79-L83 PolarHBondContact O-N 3.02Å |
| 80 | I | 90.2 | Very high | 84.4 | Confident | 82 Ų | 82 | 82.1 Ų | 82.1 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.3 | -50.7 | -176.3 | -70.3 | 179.8 | 0 | 0 | 0 | 112 | T76 V82 L83 I84 | T76-I80 HydrophobicContact CG2-CD1 3.47Å; T76-I80 VanDerWaalsContact CG2-CD1 3.47Å; T76-I80 HydrophobicContact CG2-CG1 3.82Å; T76-I80 WeakPolarHBondContact O-CG1 3.35Å; T76-I80 PolarHBondContact O-N 2.92Å; I80-V82 VanDerWaalsContact C-N 3.35Å; I80-V82 PolarHBondContact O-N 3.43Å; I80-L83 PolarHBondContact O-N 3.31Å; I80-I84 HydrophobicContact CG2-CD1 3.62Å; I80-I84 HydrophobicContact CG2-CG1 4.29Å; I80-I84 VanDerWaalsContact O-CG1 3.3Å; I80-I84 WeakPolarHBondContact O-CG1 3.38Å; I80-I84 PolarHBondContact O-N 2.98Å |
| 81 | P | 93.3 | Very high | 85 | Confident | 64 Ų | 64 | 78 Ų | 78 | 42% | 0.416 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 179.1 | -24.2 | 34.5 | 0 | 0 | 0 | 112.9 | D77 L83 I84 I85 | D77-P81 WeakPolarHBondContact O-CD 3.24Å; D77-P81 WeakPolarHBondContact O-CG 3.27Å; P81-L83 VanDerWaalsContact C-N 3.32Å; P81-L83 PolarHBondContact O-N 2.9Å; P81-I84 PolarHBondContact O-N 3.28Å; P81-I85 VanDerWaalsContact O-CG1 3.26Å; P81-I85 WeakPolarHBondContact O-CG1 3.44Å; P81-I85 PolarHBondContact O-N 3.46Å |
| 82 | V | 93 | Very high | 85.8 | Confident | 43 Ų | 43 | 75.3 Ų | 75.3 | 26% | 0.261 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 178 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | I62 R78 A79 I80 I85 G86 | I62-V82 HydrophobicContact CG2-CG1 4.48Å; R78-V82 VanDerWaalsContact O-CG2 3.32Å; R78-V82 WeakPolarHBondContact O-CG2 3.25Å; A79-V82 PolarHBondContact O-N 2.88Å; I80-V82 VanDerWaalsContact C-N 3.35Å; I80-V82 PolarHBondContact O-N 3.43Å; V82-I85 PolarHBondContact O-N 3.37Å; V82-G86 PolarHBondContact O-N 3.16Å |
| 83 | L | 94.1 | Very high | 87.2 | Confident | 48 Ų | 48 | 73.1 Ų | 73.1 | 25% | 0.251 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 177.6 | -164.8 | 106.1 | 0 | 0 | 0 | 111.6 | A64 A79 I80 P81 G86 I87 | A64-L83 HydrophobicContact CB-CD1 4.46Å; A79-L83 WeakPolarHBondContact O-CB 3.46Å; A79-L83 PolarHBondContact O-N 3.02Å; I80-L83 PolarHBondContact O-N 3.31Å; P81-L83 VanDerWaalsContact C-N 3.32Å; P81-L83 PolarHBondContact O-N 2.9Å; L83-G86 PolarHBondContact O-N 3.38Å; L83-I87 HydrophobicContact CD2-CD1 3.9Å; L83-I87 HydrophobicContact CG-CD1 4.19Å; L83-I87 VanDerWaalsContact O-CG1 3.29Å; L83-I87 WeakPolarHBondContact O-CG1 2.85Å; L83-I87 PolarHBondContact O-N 3.31Å |
| 84 | I | 95.6 | Very high | 88.7 | Confident | 89 Ų | 89 | 67.3 Ų | 67.3 | 46% | 0.456 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60 | -48.7 | 177 | -69 | 168.5 | 0 | 0 | 0 | 110.2 | I80 P81 G86 I87 L88 | I80-I84 HydrophobicContact CG2-CD1 3.62Å; I80-I84 HydrophobicContact CG2-CG1 4.29Å; I80-I84 VanDerWaalsContact O-CG1 3.3Å; I80-I84 WeakPolarHBondContact O-CG1 3.38Å; I80-I84 PolarHBondContact O-N 2.98Å; P81-I84 PolarHBondContact O-N 3.28Å; I84-G86 VanDerWaalsContact C-N 3.33Å; I84-G86 PolarHBondContact O-N 2.91Å; I84-I87 PolarHBondContact O-N 2.94Å; I84-L88 HydrophobicContact CG2-CD1 3.97Å; I84-L88 HydrophobicContact CG2-CG 4.41Å; I84-L88 WeakPolarHBondContact O-CG 3.25Å; I84-L88 PolarHBondContact O-N 3.4Å |
| 85 | I | 95.9 | Very high | 90.3 | Very high | 90 Ų | 90 | 71.6 Ų | 71.6 | 46% | 0.462 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 178.3 | -66.1 | 166.1 | 0 | 0 | 0 | 110.3 | L59 P81 V82 I87 L88 V89 | L59-I85 HydrophobicContact CD2-CB 4.43Å; L59-I85 HydrophobicContact CD2-CG2 3.77Å; P81-I85 VanDerWaalsContact O-CG1 3.26Å; P81-I85 WeakPolarHBondContact O-CG1 3.44Å; P81-I85 PolarHBondContact O-N 3.46Å; V82-I85 PolarHBondContact O-N 3.37Å; I85-I87 VanDerWaalsContact C-N 3.34Å; I85-I87 PolarHBondContact O-N 2.64Å; I85-L88 PolarHBondContact O-N 3.23Å; I85-V89 HydrophobicContact CG2-CG2 4.32Å; I85-V89 WeakPolarHBondContact O-CG2 3.29Å; I85-V89 PolarHBondContact O-N 2.93Å |
| 86 | G | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.6 | -46.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V82 L83 I84 V89 F90 | V82-G86 PolarHBondContact O-N 3.16Å; L83-G86 PolarHBondContact O-N 3.38Å; I84-G86 VanDerWaalsContact C-N 3.33Å; I84-G86 PolarHBondContact O-N 2.91Å; G86-V89 PolarHBondContact O-N 3.34Å; G86-F90 WeakPolarHBondContact O-CB 3.45Å; G86-F90 PolarHBondContact O-N 2.96Å |
| 87 | I | 96.4 | Very high | 92.6 | Very high | 71 Ų | 71 | 71.3 Ų | 71.3 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.5 | -47.8 | 176.4 | -68.7 | 167.2 | 0 | 0 | 0 | 110.9 | I60 L83 I84 I85 V89 F90 L91 | I60-I87 HydrophobicContact CD1-CG1 4.12Å; I60-I87 HydrophobicContact CG1-CG1 4.17Å; L83-I87 HydrophobicContact CD2-CD1 3.9Å; L83-I87 HydrophobicContact CG-CD1 4.19Å; L83-I87 VanDerWaalsContact O-CG1 3.29Å; L83-I87 WeakPolarHBondContact O-CG1 2.85Å; L83-I87 PolarHBondContact O-N 3.31Å; I84-I87 PolarHBondContact O-N 2.94Å; I85-I87 VanDerWaalsContact C-N 3.34Å; I85-I87 PolarHBondContact O-N 2.64Å; I87-V89 VanDerWaalsContact C-N 3.3Å; I87-V89 PolarHBondContact O-N 2.92Å; I87-F90 PolarHBondContact O-N 2.92Å; I87-L91 HydrophobicContact CG2-CD1 3.6Å; I87-L91 WeakPolarHBondContact O-CD1 3.34Å; I87-L91 PolarHBondContact O-N 3.34Å |
| 88 | L | 96.6 | Very high | 93.1 | Very high | 116 Ų | 116 | 69.2 Ų | 69.2 | 61% | 0.607 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61 | -36.7 | -179.5 | -72.4 | 174.4 | 0 | 0 | 0 | 113 | I84 I85 P92 | I84-L88 HydrophobicContact CG2-CD1 3.97Å; I84-L88 HydrophobicContact CG2-CG 4.41Å; I84-L88 WeakPolarHBondContact O-CG 3.25Å; I84-L88 PolarHBondContact O-N 3.4Å; I85-L88 PolarHBondContact O-N 3.23Å; L88-P92 WeakPolarHBondContact O-CD 2.99Å |
| 89 | V | 95.9 | Very high | 93.3 | Very high | 44 Ų | 44 | 61.2 Ų | 61.2 | 27% | 0.267 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -77.8 | -35.4 | 176.4 | 176 | 0 | 0 | 0 | 0 | 111.6 | L52 I55 I85 G86 I87 P92 | L52-V89 HydrophobicContact CB-CG1 4.46Å; L52-V89 HydrophobicContact CG-CG1 4.37Å; I55-V89 HydrophobicContact CG2-CG1 4.4Å; I85-V89 HydrophobicContact CG2-CG2 4.32Å; I85-V89 WeakPolarHBondContact O-CG2 3.29Å; I85-V89 PolarHBondContact O-N 2.93Å; G86-V89 PolarHBondContact O-N 3.34Å; I87-V89 VanDerWaalsContact C-N 3.3Å; I87-V89 PolarHBondContact O-N 2.92Å; V89-P92 WeakPolarHBondContact O-CD 3.34Å; V89-P92 WeakPolarHBondContact O-CG 3.36Å |
| 90 | F | 95.6 | Very high | 93.2 | Very high | 50 Ų | 50 | 61.5 Ų | 61.5 | 22% | 0.219 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.5 | -42.6 | -179.6 | 177.6 | -91.5 | 0 | 0 | 0 | 112.9 | F53 T57 I60 G86 I87 G93 F94 | F53-F90 AromaticContact CD2-CD2 3.91Å; F53-F90 HydrophobicContact CD2-CD2 3.91Å; F53-F90 AromaticContact CD2-CE2 3.5Å; F53-F90 HydrophobicContact CD2-CE2 3.5Å; F53-F90 VanDerWaalsContact CD2-CE2 3.5Å; F53-F90 HydrophobicContact CD2-CZ 4.11Å; F53-F90 HydrophobicContact CE2-CD2 4.02Å; F53-F90 AromaticContact CE2-CE2 3.14Å; F53-F90 HydrophobicContact CE2-CE2 3.14Å; F53-F90 AromaticContact CE2-CZ 3.57Å; F53-F90 HydrophobicContact CE2-CZ 3.57Å; F53-F90 AromaticContact CZ-CE2 4Å; F53-F90 HydrophobicContact CZ-CE2 4Å; T57-F90 WeakPolarHBondContact OG1-CD2 3.46Å; T57-F90 WeakPolarHBondContact OG1-CE2 3.3Å; I60-F90 HydrophobicContact CD1-CB 3.7Å; I60-F90 HydrophobicContact CD1-CD1 4.38Å; I60-F90 HydrophobicContact CD1-CD2 4.1Å; I60-F90 HydrophobicContact CD1-CG 3.82Å; G86-F90 WeakPolarHBondContact O-CB 3.45Å; G86-F90 PolarHBondContact O-N 2.96Å; I87-F90 PolarHBondContact O-N 2.92Å; F90-G93 PolarHBondContact O-N 3.45Å; F90-F94 HydrophobicContact CD1-CB 4.16Å; F90-F94 HydrophobicContact CE1-CB 3.77Å; F90-F94 HydrophobicContact CE1-CD1 4.38Å; F90-F94 AromaticContact CE1-CG 3.98Å; F90-F94 HydrophobicContact CE1-CG 3.98Å; F90-F94 HydrophobicContact CZ-CB 4Å; F90-F94 HydrophobicContact CZ-CD2 4.16Å; F90-F94 HydrophobicContact CZ-CG 4.08Å; F90-F94 WeakPolarHBondContact O-CB 3.41Å; F90-F94 PolarHBondContact O-N 3.48Å |
| 91 | L | 95.3 | Very high | 93.1 | Very high | 103 Ų | 103 | 63.1 Ų | 63.1 | 54% | 0.539 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -52.3 | -56.2 | -177 | -101.1 | 70.1 | 0 | 0 | 0 | 113.8 | I87 G93 Y95 | I87-L91 HydrophobicContact CG2-CD1 3.6Å; I87-L91 WeakPolarHBondContact O-CD1 3.34Å; I87-L91 PolarHBondContact O-N 3.34Å; L91-G93 PolarHBondContact O-N 3.28Å; L91-Y95 VanDerWaalsContact O-CB 3.28Å; L91-Y95 WeakPolarHBondContact O-CB 3.34Å; L91-Y95 PolarHBondContact O-N 3.29Å |
| 92 | P | 92.8 | Very high | 92.8 | Very high | 51 Ų | 51 | 63.6 Ų | 63.6 | 33% | 0.331 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 179.2 | 24.5 | -32.8 | 0 | 0 | 0 | 112.1 | L52 L88 V89 Y95 H96 | L52-P92 HydrophobicContact CD2-CG 4.22Å; L88-P92 WeakPolarHBondContact O-CD 2.99Å; V89-P92 WeakPolarHBondContact O-CD 3.34Å; V89-P92 WeakPolarHBondContact O-CG 3.36Å; P92-Y95 PolarHBondContact O-N 2.92Å; P92-H96 PolarHBondContact O-CD2 2.97Å; P92-H96 PolarHBondContact O-N 3.45Å |
| 93 | G | 92.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.6 | -48.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F90 L91 L97 | F90-G93 PolarHBondContact O-N 3.45Å; L91-G93 PolarHBondContact O-N 3.28Å; G93-L97 WeakPolarHBondContact O-CB 3.3Å; G93-L97 PolarHBondContact O-N 2.87Å |
| 94 | F | 94.3 | Very high | 91.9 | Very high | 105 Ų | 105 | 63.3 Ų | 63.3 | 46% | 0.461 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 178.1 | -179.8 | -111.2 | 0 | 0 | 0 | 112.3 | F53 F90 L97 R98 | F53-F94 HydrophobicContact CD2-CB 3.99Å; F53-F94 HydrophobicContact CD2-CD2 4.18Å; F53-F94 HydrophobicContact CE2-CB 4.28Å; F53-F94 AromaticContact CE2-CD2 3.73Å; F53-F94 HydrophobicContact CE2-CD2 3.73Å; F53-F94 HydrophobicContact CE2-CG 4.45Å; F90-F94 HydrophobicContact CD1-CB 4.16Å; F90-F94 HydrophobicContact CE1-CB 3.77Å; F90-F94 HydrophobicContact CE1-CD1 4.38Å; F90-F94 AromaticContact CE1-CG 3.98Å; F90-F94 HydrophobicContact CE1-CG 3.98Å; F90-F94 HydrophobicContact CZ-CB 4Å; F90-F94 HydrophobicContact CZ-CD2 4.16Å; F90-F94 HydrophobicContact CZ-CG 4.08Å; F90-F94 WeakPolarHBondContact O-CB 3.41Å; F90-F94 PolarHBondContact O-N 3.48Å; F94-L97 PolarHBondContact O-N 2.92Å; F94-R98 WeakPolarHBondContact O-CB 3.46Å; F94-R98 PolarHBondContact O-N 2.9Å |
| 95 | Y | 91.5 | Very high | 91.3 | Very high | 135 Ų | 135 | 64.7 Ų | 64.7 | 53% | 0.529 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.7 | -52.1 | -179.7 | 175.9 | -101.4 | 0 | 0 | 0 | 112.2 | L91 P92 R98 I99 | L91-Y95 VanDerWaalsContact O-CB 3.28Å; L91-Y95 WeakPolarHBondContact O-CB 3.34Å; L91-Y95 PolarHBondContact O-N 3.29Å; P92-Y95 PolarHBondContact O-N 2.92Å; Y95-R98 PolarHBondContact O-N 2.88Å; Y95-I99 HydrophobicContact CD1-CD1 3.99Å; Y95-I99 HydrophobicContact CD2-CD1 4.45Å; Y95-I99 HydrophobicContact CE1-CD1 3.46Å; Y95-I99 VanDerWaalsContact CE1-CD1 3.46Å; Y95-I99 HydrophobicContact CE2-CD1 3.98Å; Y95-I99 HydrophobicContact CG-CD1 4.45Å; Y95-I99 VanDerWaalsContact CZ-CD1 3.45Å; Y95-I99 PolarHBondContact O-N 3.41Å |
| 96 | H | 90.8 | Very high | 90.4 | Very high | 49 Ų | 49 | 63.3 Ų | 63.3 | 23% | 0.227 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.6 | -37.2 | 180 | -69 | -61.7 | 0 | 0 | 0 | 112.4 | A49 P92 R98 I99 A100 | A49-H96 HydrophobicContact CB-CB 3.8Å; P92-H96 PolarHBondContact O-CD2 2.97Å; P92-H96 PolarHBondContact O-N 3.45Å; H96-R98 VanDerWaalsContact C-N 3.29Å; H96-R98 PolarHBondContact O-N 3.29Å; H96-I99 PolarHBondContact O-N 3.44Å; H96-A100 WeakPolarHBondContact O-CB 3.25Å; H96-A100 PolarHBondContact O-N 2.93Å |
| 97 | L | 91 | Very high | 89.6 | Confident | 46 Ų | 46 | 69.3 Ų | 69.3 | 24% | 0.241 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.1 | -38 | 175.9 | -173.7 | 59.7 | 0 | 0 | 0 | 111.8 | I50 F53 G93 F94 A100 Y101 | I50-L97 HydrophobicContact CD1-CD1 4.45Å; I50-L97 HydrophobicContact CG1-CD1 3.69Å; F53-L97 HydrophobicContact CB-CD2 4.22Å; F53-L97 HydrophobicContact CD1-CD2 3.94Å; F53-L97 HydrophobicContact CD2-CD2 4.33Å; F53-L97 HydrophobicContact CE1-CD2 4.41Å; F53-L97 HydrophobicContact CG-CD2 3.9Å; G93-L97 WeakPolarHBondContact O-CB 3.3Å; G93-L97 PolarHBondContact O-N 2.87Å; F94-L97 PolarHBondContact O-N 2.92Å; L97-A100 PolarHBondContact O-N 3.36Å; L97-Y101 WeakPolarHBondContact O-CB 3.26Å; L97-Y101 PolarHBondContact O-N 3.25Å |
| 98 | R | 90.8 | Very high | 88.5 | Confident | 91 Ų | 91 | 77.6 Ų | 77.6 | 34% | 0.343 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.3 | -48.2 | 176.2 | -177.3 | -97 | -177.4 | -178.4 | -12.2 | 111.4 | F94 Y95 H96 Y101 Y102 Y110 | F94-R98 WeakPolarHBondContact O-CB 3.46Å; F94-R98 PolarHBondContact O-N 2.9Å; Y95-R98 PolarHBondContact O-N 2.88Å; H96-R98 VanDerWaalsContact C-N 3.29Å; H96-R98 PolarHBondContact O-N 3.29Å; R98-Y101 PolarHBondContact O-N 3.4Å; R98-Y102 HydrophobicContact CG-CD2 3.8Å; R98-Y102 HydrophobicContact CG-CE2 3.6Å; R98-Y102 VanDerWaalsContact NE-CD2 3.32Å; R98-Y102 WeakPolarHBondContact O-CD2 3.39Å; R98-Y102 PolarHBondContact O-N 3.34Å; R98-Y110 PolarHBondContact NH1-OH 2.82Å; R98-Y110 PolarHBondContact NH2-OH 3.06Å |
| 99 | I | 88.9 | Confident | 87.5 | Confident | 8 Ų | 8 | 75.6 Ų | 75.6 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 176.4 | -67.4 | 163.2 | 0 | 0 | 0 | 110.5 | Y95 H96 Y101 Y102 A103 Y110 D114 I115 | Y95-I99 HydrophobicContact CD1-CD1 3.99Å; Y95-I99 HydrophobicContact CD2-CD1 4.45Å; Y95-I99 HydrophobicContact CE1-CD1 3.46Å; Y95-I99 VanDerWaalsContact CE1-CD1 3.46Å; Y95-I99 HydrophobicContact CE2-CD1 3.98Å; Y95-I99 HydrophobicContact CG-CD1 4.45Å; Y95-I99 VanDerWaalsContact CZ-CD1 3.45Å; Y95-I99 PolarHBondContact O-N 3.41Å; H96-I99 PolarHBondContact O-N 3.44Å; I99-Y101 VanDerWaalsContact C-N 3.29Å; I99-Y101 PolarHBondContact O-N 2.95Å; I99-Y102 PolarHBondContact O-N 3.32Å; I99-A103 VanDerWaalsContact O-CB 3.3Å; I99-A103 WeakPolarHBondContact O-CB 3.27Å; I99-A103 PolarHBondContact O-N 3.32Å; I99-Y110 HydrophobicContact CG1-CD1 4.47Å; I99-Y110 HydrophobicContact CG2-CD1 4.41Å; I99-D114 HydrophobicContact CG2-CB 4.11Å; I99-I115 HydrophobicContact CG2-CD1 4.49Å; I99-I115 HydrophobicContact CG2-CG1 4.06Å |
| 100 | A | 87.7 | Confident | 86.6 | Confident | 7 Ų | 7 | 76.9 Ų | 76.9 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.4 | -38.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I46 H96 L97 S104 I115 | I46-A100 HydrophobicContact CD1-CB 4.29Å; I46-A100 HydrophobicContact CG1-CB 3.99Å; H96-A100 WeakPolarHBondContact O-CB 3.25Å; H96-A100 PolarHBondContact O-N 2.93Å; L97-A100 PolarHBondContact O-N 3.36Å; A100-S104 WeakPolarHBondContact O-CB 3.31Å; A100-S104 PolarHBondContact O-N 2.94Å; A100-I115 HydrophobicContact CB-CD1 3.72Å |
| 101 | Y | 88.2 | Confident | 85.7 | Confident | 116 Ų | 116 | 76.3 Ų | 76.3 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.9 | -41.8 | 176.8 | 178.8 | -96 | 0 | 0 | 0 | 112.8 | L97 R98 I99 S104 K105 | L97-Y101 WeakPolarHBondContact O-CB 3.26Å; L97-Y101 PolarHBondContact O-N 3.25Å; R98-Y101 PolarHBondContact O-N 3.4Å; I99-Y101 VanDerWaalsContact C-N 3.29Å; I99-Y101 PolarHBondContact O-N 2.95Å; Y101-S104 PolarHBondContact O-N 3.49Å; Y101-S104 PolarHBondContact O-OG 3.3Å; Y101-K105 HydrophobicContact CE1-CD 3.95Å; Y101-K105 PolarHBondContact O-N 2.92Å; Y101-K105 WeakPolarHBondContact OH-CE 3.28Å; Y101-K105 PolarHBondContact OH-NZ 2.99Å |
| 102 | Y | 86.3 | Confident | 84.8 | Confident | 73 Ų | 73 | 73.3 Ų | 73.3 | 29% | 0.286 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -72.4 | -33.7 | 177.1 | -76.6 | -69 | 0 | 0 | 0 | 112.2 | R98 I99 K105 G106 Y107 Y110 | R98-Y102 HydrophobicContact CG-CD2 3.8Å; R98-Y102 HydrophobicContact CG-CE2 3.6Å; R98-Y102 VanDerWaalsContact NE-CD2 3.32Å; R98-Y102 WeakPolarHBondContact O-CD2 3.39Å; R98-Y102 PolarHBondContact O-N 3.34Å; I99-Y102 PolarHBondContact O-N 3.32Å; Y102-K105 PolarHBondContact O-N 2.8Å; Y102-G106 PolarHBondContact O-N 3.42Å; Y102-Y107 AromaticContact CD1-CD2 3.7Å; Y102-Y107 HydrophobicContact CD1-CD2 3.7Å; Y102-Y107 HydrophobicContact CD1-CE2 4.08Å; Y102-Y107 AromaticContact CD1-CG 3.93Å; Y102-Y107 HydrophobicContact CD1-CG 3.93Å; Y102-Y107 HydrophobicContact CE1-CD2 4.44Å; Y102-Y107 HydrophobicContact CE1-CE2 4.42Å; Y102-Y107 PolarHBondContact O-N 2.84Å; Y102-Y107 VanDerWaalsContact O-N 3.11Å; Y102-Y110 HydrophobicContact CD2-CE1 4.32Å; Y102-Y110 HydrophobicContact CG-CD1 4.43Å; Y102-Y110 HydrophobicContact CG-CD2 4.27Å; Y102-Y110 HydrophobicContact CG-CE1 4.41Å; Y102-Y110 HydrophobicContact CG-CE2 4.25Å; Y102-Y110 HydrophobicContact CG-CG 4.38Å |
| 103 | A | 85.3 | Confident | 83.9 | Confident | 12 Ų | 12 | 75.3 Ų | 75.3 | 10% | 0.099 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I99 K105 G106 Y112 | I99-A103 VanDerWaalsContact O-CB 3.3Å; I99-A103 WeakPolarHBondContact O-CB 3.27Å; I99-A103 PolarHBondContact O-N 3.32Å; A103-K105 VanDerWaalsContact C-N 3.3Å; A103-K105 PolarHBondContact O-N 3.2Å; A103-G106 PolarHBondContact O-N 3.47Å; A103-Y112 HydrophobicContact CB-CD1 4.11Å; A103-Y112 HydrophobicContact CB-CD2 4.22Å; A103-Y112 HydrophobicContact CB-CE1 3.96Å; A103-Y112 HydrophobicContact CB-CE2 4.09Å; A103-Y112 HydrophobicContact CB-CG 4.24Å |
| 104 | S | 82.1 | Confident | 83.1 | Confident | 73 Ų | 73 | 79.6 Ų | 79.6 | 51% | 0.51 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.9 | -30.9 | 178.9 | 73.4 | 0 | 0 | 0 | 0 | 113.4 | A100 Y101 G106 Y112 | A100-S104 WeakPolarHBondContact O-CB 3.31Å; A100-S104 PolarHBondContact O-N 2.94Å; Y101-S104 PolarHBondContact O-N 3.49Å; Y101-S104 PolarHBondContact O-OG 3.3Å; S104-G106 VanDerWaalsContact C-N 3.3Å; S104-Y112 WeakPolarHBondContact CA-OH 3.14Å; S104-Y112 WeakPolarHBondContact CB-OH 3.39Å; S104-Y112 PolarHBondContact N-OH 3.45Å |
| 105 | K | 83.1 | Confident | 82.3 | Confident | 118 Ų | 118 | 75.1 Ų | 75.1 | 51% | 0.513 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -2.9 | 173.4 | -79.1 | -167.3 | 167.4 | -175.7 | 0 | 114.3 | Y101 Y102 A103 Y107 | Y101-K105 HydrophobicContact CE1-CD 3.95Å; Y101-K105 PolarHBondContact O-N 2.92Å; Y101-K105 WeakPolarHBondContact OH-CE 3.28Å; Y101-K105 PolarHBondContact OH-NZ 2.99Å; Y102-K105 PolarHBondContact O-N 2.8Å; A103-K105 VanDerWaalsContact C-N 3.3Å; A103-K105 PolarHBondContact O-N 3.2Å; K105-Y107 VanDerWaalsContact C-N 3.34Å; K105-Y107 HydrophobicContact CB-CD2 3.62Å; K105-Y107 HydrophobicContact CB-CE2 3.71Å; K105-Y107 HydrophobicContact CD-CE2 3.95Å; K105-Y107 HydrophobicContact CG-CE2 4.49Å; K105-Y107 PolarHBondContact O-N 2.95Å |
| 106 | G | 78.3 | Confident | 81.5 | Confident | 62 Ų | 62 | 71.3 Ų | 71.3 | 64% | 0.639 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 26.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y102 A103 S104 R108 | Y102-G106 PolarHBondContact O-N 3.42Å; A103-G106 PolarHBondContact O-N 3.47Å; S104-G106 VanDerWaalsContact C-N 3.3Å; G106-R108 PolarHBondContact O-N 3.01Å |
| 107 | Y | 78.6 | Confident | 80.7 | Confident | 126 Ų | 126 | 72.9 Ų | 72.9 | 49% | 0.494 | 38% | 0.376 | S | S | . | . | trans | -65.3 | 132.9 | 174.6 | -82.9 | -94.7 | 0 | 0 | 0 | 110.5 | Y102 K105 G109 Y110 | Y102-Y107 AromaticContact CD1-CD2 3.7Å; Y102-Y107 HydrophobicContact CD1-CD2 3.7Å; Y102-Y107 HydrophobicContact CD1-CE2 4.08Å; Y102-Y107 AromaticContact CD1-CG 3.93Å; Y102-Y107 HydrophobicContact CD1-CG 3.93Å; Y102-Y107 HydrophobicContact CE1-CD2 4.44Å; Y102-Y107 HydrophobicContact CE1-CE2 4.42Å; Y102-Y107 PolarHBondContact O-N 2.84Å; Y102-Y107 VanDerWaalsContact O-N 3.11Å; K105-Y107 VanDerWaalsContact C-N 3.34Å; K105-Y107 HydrophobicContact CB-CD2 3.62Å; K105-Y107 HydrophobicContact CB-CE2 3.71Å; K105-Y107 HydrophobicContact CD-CE2 3.95Å; K105-Y107 HydrophobicContact CG-CE2 4.49Å; K105-Y107 PolarHBondContact O-N 2.95Å; Y107-G109 PolarHBondContact O-N 2.95Å; Y107-Y110 PolarHBondContact O-N 3.16Å | ||
| 108 | R | 73.4 | Confident | 79.7 | Confident | 245 Ų | 245 | 75.9 Ų | 75.9 | 93% | 0.925 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 126.6 | 177.9 | -64.6 | 176.1 | 67.1 | 176.2 | 0.8 | 109.6 | G106 | G106-R108 PolarHBondContact O-N 3.01Š|
| 109 | G | 76.1 | Confident | 78.3 | Confident | 74 Ų | 74 | 74.2 Ų | 74.2 | 76% | 0.763 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.2 | 4.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y107 | Y107-G109 PolarHBondContact O-N 2.95Š|
| 110 | Y | 75.8 | Confident | 76.9 | Confident | 71 Ų | 71 | 84.9 Ų | 84.9 | 28% | 0.278 | 44% | 0.442 | S | S | . | . | trans | -116.2 | 119.4 | 170 | -65.1 | -85.9 | 0 | 0 | 0 | 109.2 | R98 I99 Y102 Y107 | R98-Y110 PolarHBondContact NH1-OH 2.82Å; R98-Y110 PolarHBondContact NH2-OH 3.06Å; I99-Y110 HydrophobicContact CG1-CD1 4.47Å; I99-Y110 HydrophobicContact CG2-CD1 4.41Å; Y102-Y110 HydrophobicContact CD2-CE1 4.32Å; Y102-Y110 HydrophobicContact CG-CD1 4.43Å; Y102-Y110 HydrophobicContact CG-CD2 4.27Å; Y102-Y110 HydrophobicContact CG-CE1 4.41Å; Y102-Y110 HydrophobicContact CG-CE2 4.25Å; Y102-Y110 HydrophobicContact CG-CG 4.38Å; Y107-Y110 PolarHBondContact O-N 3.16Å | ||
| 111 | S | 76.7 | Confident | 76.4 | Confident | 37 Ų | 37 | 88.8 Ų | 88.8 | 26% | 0.259 | 46% | 0.462 | S | S | . | . | trans | -116.6 | 152.2 | 173.3 | -167.2 | 0 | 0 | 0 | 0 | 110.3 | D113 D114 | S111-D113 PolarHBondContact O-N 3.46Å; S111-D113 WeakPolarHBondContact OG-CB 3.11Å; S111-D113 PolarHBondContact OG-N 3.26Å; S111-D113 PolarHBondContact OG-OD2 3.18Å; S111-D114 PolarHBondContact N-OD2 3.37Å; S111-D114 WeakPolarHBondContact O-CB 3.48Å; S111-D114 PolarHBondContact O-N 3.37Å | ||
| 112 | Y | 77.3 | Confident | 75.8 | Confident | 41 Ų | 41 | 87.4 Ų | 87.4 | 16% | 0.161 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -64.7 | -20 | 165.2 | -71.8 | -67.8 | 0 | 0 | 0 | 112 | I41 I46 A103 S104 D114 I115 | I41-Y112 HydrophobicContact CG1-CD2 4.16Å; I41-Y112 HydrophobicContact CG1-CE2 4.05Å; I41-Y112 HydrophobicContact CG2-CD1 4.24Å; I41-Y112 HydrophobicContact CG2-CE1 4.02Å; I46-Y112 HydrophobicContact CD1-CD1 4.32Å; I46-Y112 HydrophobicContact CD1-CE1 3.95Å; A103-Y112 HydrophobicContact CB-CD1 4.11Å; A103-Y112 HydrophobicContact CB-CD2 4.22Å; A103-Y112 HydrophobicContact CB-CE1 3.96Å; A103-Y112 HydrophobicContact CB-CE2 4.09Å; A103-Y112 HydrophobicContact CB-CG 4.24Å; S104-Y112 WeakPolarHBondContact CA-OH 3.14Å; S104-Y112 WeakPolarHBondContact CB-OH 3.39Å; S104-Y112 PolarHBondContact N-OH 3.45Å; Y112-D114 PolarHBondContact O-N 3.33Å; Y112-I115 HydrophobicContact CD1-CD1 4Å; Y112-I115 PolarHBondContact O-N 2.91Å; Y112-I115 VanDerWaalsContact O-N 3.15Å |
| 113 | D | 74.3 | Confident | 75.2 | Confident | 92 Ų | 92 | 88.2 Ų | 88.2 | 49% | 0.492 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -60 | -21.9 | 173 | -56.7 | -27.5 | 0 | 0 | 0 | 112.7 | K36 S111 I115 | K36-D113 IonicContact NZ-OD2 2.92Å; K36-D113 PolarHBondContact NZ-OD2 3.3Å; S111-D113 PolarHBondContact O-N 3.46Å; S111-D113 WeakPolarHBondContact OG-CB 3.11Å; S111-D113 PolarHBondContact OG-N 3.26Å; S111-D113 PolarHBondContact OG-OD2 3.18Å; D113-I115 VanDerWaalsContact C-N 3.26Å; D113-I115 PolarHBondContact O-N 3.46Å |
| 114 | D | 75.6 | Confident | 74.6 | Confident | 90 Ų | 90 | 92.6 Ų | 92.6 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -83.2 | -3.8 | -179.1 | -57.5 | -49 | 0 | 0 | 0 | 112.8 | I99 S111 Y112 | I99-D114 HydrophobicContact CG2-CB 4.11Å; S111-D114 PolarHBondContact N-OD2 3.37Å; S111-D114 WeakPolarHBondContact O-CB 3.48Å; S111-D114 PolarHBondContact O-N 3.37Å; Y112-D114 PolarHBondContact O-N 3.33Å |
| 115 | I | 76 | Confident | 74.1 | Confident | 11 Ų | 11 | 93.9 Ų | 93.9 | 6% | 0.056 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -100.6 | 128.6 | 178.6 | -58.5 | 173.2 | 0 | 0 | 0 | 107.7 | P42 A45 I46 I99 A100 Y112 D113 D117 | P42-I115 HydrophobicContact CG-CB 3.89Å; P42-I115 HydrophobicContact CG-CD1 4.27Å; P42-I115 HydrophobicContact CG-CG2 3.93Å; A45-I115 HydrophobicContact CB-CG2 3.41Å; A45-I115 VanDerWaalsContact CB-CG2 3.41Å; I46-I115 HydrophobicContact CG1-CD1 4.28Å; I99-I115 HydrophobicContact CG2-CD1 4.49Å; I99-I115 HydrophobicContact CG2-CG1 4.06Å; A100-I115 HydrophobicContact CB-CD1 3.72Å; Y112-I115 HydrophobicContact CD1-CD1 4Å; Y112-I115 PolarHBondContact O-N 2.91Å; Y112-I115 VanDerWaalsContact O-N 3.15Å; D113-I115 VanDerWaalsContact C-N 3.26Å; D113-I115 PolarHBondContact O-N 3.46Å; I115-D117 PolarHBondContact O-N 2.85Å |
| 116 | P | 75.7 | Confident | 73.5 | Confident | 56 Ų | 56 | 92.3 Ų | 92.3 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -55 | 127.6 | 175.7 | -23.4 | 32.4 | 0 | 0 | 0 | 111.1 | A45 F118 | A45-P116 WeakPolarHBondContact CB-O 3.38Å; P116-F118 HydrophobicContact CB-CE1 4.46Å; P116-F118 HydrophobicContact CB-CE2 3.93Å; P116-F118 HydrophobicContact CB-CZ 3.86Å; P116-F118 HydrophobicContact CG-CZ 4.5Å; P116-F118 WeakPolarHBondContact O-CD2 3.26Å |
| 117 | D | 73.3 | Confident | 73.2 | Confident | 82 Ų | 82 | 94.4 Ų | 94.4 | 44% | 0.439 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 133.8 | 168.6 | -160.2 | -8.1 | 0 | 0 | 0 | 108.3 | K40 I115 D119 | K40-D117 IonicContact NZ-OD2 2.67Å; K40-D117 PolarHBondContact NZ-OD2 2.92Å; K40-D117 VanDerWaalsContact NZ-OD2 3.08Å; I115-D117 PolarHBondContact O-N 2.85Å; D117-D119 VanDerWaalsContact OD1-CB 3.3Å; D117-D119 WeakPolarHBondContact OD1-CB 3.32Å; D117-D119 VanDerWaalsContact OD1-CG 3.29Å; D117-D119 PolarHBondContact OD1-N 3.21Å |
| 118 | F | 69.6 | Low | 72.8 | Confident | 108 Ų | 108 | 92 Ų | 92 | 47% | 0.474 | 48% | 0.48 | S | S | . | . | trans | -115 | 21.4 | 177.6 | -62.3 | -79.4 | 0 | 0 | 0 | 110.7 | A45 L48 P116 D120 | A45-F118 HydrophobicContact CB-CD2 3.68Å; A45-F118 HydrophobicContact CB-CE2 3.91Å; L48-F118 HydrophobicContact CD2-CE2 4.42Å; P116-F118 HydrophobicContact CB-CE1 4.46Å; P116-F118 HydrophobicContact CB-CE2 3.93Å; P116-F118 HydrophobicContact CB-CZ 3.86Å; P116-F118 HydrophobicContact CG-CZ 4.5Å; P116-F118 WeakPolarHBondContact O-CD2 3.26Å; F118-D120 PolarHBondContact O-N 3.36Å | ||
| 119 | D | 62.5 | Low | 72.8 | Confident | 57 Ų | 57 | 79.3 Ų | 79.3 | 31% | 0.305 | 44% | 0.443 | S | S | . | . | trans | -88.6 | 67.2 | 173.7 | -69.6 | -22.2 | 0 | 0 | 0 | 111.3 | K40 K44 D117 | K40-D119 VanDerWaalsContact CE-OD2 3.31Å; K40-D119 WeakPolarHBondContact CE-OD2 3.49Å; K40-D119 IonicContact NZ-OD2 3.08Å; K40-D119 PolarHBondContact NZ-OD2 3.28Å; K44-D119 WeakPolarHBondContact CD-OD1 3.3Å; K44-D119 WeakPolarHBondContact CE-OD1 3.41Å; K44-D119 IonicContact NZ-OD1 2.64Å; K44-D119 PolarHBondContact NZ-OD1 3.42Å; D117-D119 VanDerWaalsContact OD1-CB 3.3Å; D117-D119 WeakPolarHBondContact OD1-CB 3.32Å; D117-D119 VanDerWaalsContact OD1-CG 3.29Å; D117-D119 PolarHBondContact OD1-N 3.21Å | ||
| 120 | D | 60.3 | Low | 72.5 | Confident | 232 Ų | 232 | 79.7 Ų | 79.7 | 100% | 1.241 | 41% | 0.414 | S | S | * | . | trans | -102.2 | 0 | 159.3 | -71.1 | -34.2 | 0 | 0 | 0 | 110.5 | F118 | F118-D120 PolarHBondContact O-N 3.36Š|
Retrieved 120 of 120 residues in 51.4 ms
(Link to these results)