| 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 | 30.5 | Very low | 27.5 | Very low | 233 Ų | 233 | 127.1 Ų | 127.1 | 100% | 1.148 | 84% | 0.838 | S | S | * | * | 0 | 102.3 | 0 | -76.3 | 171.4 | 166.8 | 0 | 0 | 107 | |||||
| 2 | V | 27 | Very low | 27.3 | Very low | 154 Ų | 154 | 127.9 Ų | 127.9 | 93% | 0.933 | 84% | 0.838 | S | S | * | * | 64.7 | 123 | 114.9 | -174.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 3 | G | 26.2 | Very low | 27.1 | Very low | 66 Ų | 66 | 125.3 Ų | 125.3 | 68% | 0.68 | 82% | 0.824 | S | S | * | * | cis | 163.4 | 155.8 | 6.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 4 | A | 27.6 | Very low | 26.9 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 88% | 0.884 | 83% | 0.831 | S | S | * | * | trans | 53.5 | 166.4 | 147.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 5 | K | 26.9 | Very low | 26.7 | Very low | 201 Ų | 201 | 125.4 Ų | 125.4 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | cis | -177.5 | 151.5 | -38.9 | -172.2 | 174.8 | -178.8 | -178.9 | 0 | 104.2 | ||||
| 6 | A | 28.1 | Very low | 26.7 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 83% | 0.826 | 84% | 0.836 | S | S | * | * | trans | 84 | 131.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 7 | G | 24.9 | Very low | 26.5 | Very low | 71 Ų | 71 | 126.8 Ų | 126.8 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | trans | -105.4 | -169 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 8 | P | 29.4 | Very low | 26.4 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | trans | -142.9 | 152.7 | 138.9 | 32.8 | -14.7 | 0 | 0 | 0 | 114.2 | ||||
| 9 | S | 26.6 | Very low | 26.2 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | trans | -74.4 | 170.5 | 163.5 | -48.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 10 | P | 32.7 | Very low | 26.1 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 73% | 0.734 | 85% | 0.845 | S | S | * | * | cis | -149.4 | -179.4 | 29.7 | 39.9 | -16.5 | 0 | 0 | 0 | 118.4 | ||||
| 11 | S | 22.9 | Very low | 26.1 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 85% | 0.845 | S | S | * | * | trans | 98.8 | 127.6 | 147.1 | 78.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 12 | T | 25.4 | Very low | 25.8 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 84% | 0.84 | 83% | 0.829 | S | S | * | * | trans | 105.8 | 125.2 | 142.8 | -27.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 13 | S | 23.6 | Very low | 25.6 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 66% | 0.657 | 82% | 0.821 | S | S | * | * | trans | -67.7 | 147.9 | -172.3 | 54.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 14 | L | 24.6 | Very low | 25.6 | Very low | 176 Ų | 176 | 130.8 Ų | 130.8 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | -179.5 | 138.1 | 119.5 | -125.1 | 84.2 | 0 | 0 | 0 | 110.6 | |||||
| 15 | G | 25 | Very low | 25.5 | Very low | 76 Ų | 76 | 130.8 Ų | 130.8 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | trans | 135.5 | 97.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 16 | L | 25.3 | Very low | 25.4 | Very low | 182 Ų | 182 | 127.4 Ų | 127.4 | 95% | 0.953 | 82% | 0.821 | S | S | * | * | trans | -49.1 | 140.7 | 171.2 | -83.1 | 128.8 | 0 | 0 | 0 | 115.5 | ||||
| 17 | A | 24.4 | Very low | 25.3 | Very low | 92 Ų | 92 | 129.1 Ų | 129.1 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | 179.4 | 110.6 | 120.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 18 | Q | 24.5 | Very low | 25.4 | Very low | 197 Ų | 197 | 132 Ų | 132 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | 66.1 | 88.8 | 137.2 | -147.6 | 150.6 | -22 | 0 | 0 | 120 | ||||
| 19 | Q | 22.9 | Very low | 25.2 | Very low | 197 Ų | 197 | 134.1 Ų | 134.1 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -101.7 | 114.7 | 167.6 | -155.6 | 174.6 | -3 | 0 | 0 | 110.1 | ||||
| 20 | R | 24 | Very low | 25.3 | Very low | 248 Ų | 248 | 133.6 Ų | 133.6 | 94% | 0.936 | 81% | 0.81 | S | S | * | * | trans | -90.6 | 111 | 172.2 | -142.2 | 176.8 | -168.2 | 179.1 | 2.7 | 107.6 | ||||
| 21 | S | 25.2 | Very low | 25.5 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -72.3 | 140.1 | 176.9 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 22 | G | 25.4 | Very low | 25.9 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -81.8 | 147.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 23 | G | 22.8 | Very low | 26.5 | Very low | 75 Ų | 75 | 133.1 Ų | 133.1 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -124.2 | 123.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | S25 | G23-S25 PolarHBondContact O-N 3.23Š| ||
| 24 | S | 26.3 | Very low | 27.1 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -56.2 | 115.1 | -174.5 | -57.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 25 | S | 24 | Very low | 27.8 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | trans | -85.5 | 116.5 | 161.3 | 48.3 | 0 | 0 | 0 | 0 | 109.1 | G23 L27 | G23-S25 PolarHBondContact O-N 3.23Å; S25-L27 VanDerWaalsContact C-N 3.29Å; S25-L27 PolarHBondContact O-N 2.89Å | ||
| 26 | V | 25.5 | Very low | 28.4 | Very low | 131 Ų | 131 | 125.4 Ų | 125.4 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | trans | -65.2 | 95.5 | 165.3 | 175 | 0 | 0 | 0 | 0 | 106.9 | V28 | V26-V28 PolarHBondContact O-N 2.98Š| ||
| 27 | L | 26.1 | Very low | 29.3 | Very low | 136 Ų | 136 | 120.3 Ų | 120.3 | 71% | 0.712 | 71% | 0.709 | S | S | * | * | trans | -67.7 | 94.4 | 173.2 | -169.7 | 85.8 | 0 | 0 | 0 | 108.2 | S25 K29 | S25-L27 VanDerWaalsContact C-N 3.29Å; S25-L27 PolarHBondContact O-N 2.89Å; L27-K29 HydrophobicContact CD2-CG 4.2Å; L27-K29 PolarHBondContact O-N 3.09Å | ||
| 28 | V | 27.1 | Very low | 30.1 | Very low | 130 Ų | 130 | 120.6 Ų | 120.6 | 79% | 0.788 | 70% | 0.704 | S | S | * | * | trans | -62.5 | 100.3 | 165.4 | 177.3 | 0 | 0 | 0 | 0 | 107.2 | V26 S30 | V26-V28 PolarHBondContact O-N 2.98Å; V28-S30 PolarHBondContact O-N 2.96Å; V28-S30 VanDerWaalsContact O-N 3.17Å | ||
| 29 | K | 24.9 | Very low | 30.8 | Very low | 179 Ų | 179 | 112.1 Ų | 112.1 | 78% | 0.778 | 67% | 0.669 | S | S | * | * | trans | -67.6 | 108.2 | 175.1 | -76.1 | 178.9 | 176.4 | 177 | 0 | 109.1 | L27 | L27-K29 HydrophobicContact CD2-CG 4.2Å; L27-K29 PolarHBondContact O-N 3.09Å | ||
| 30 | S | 28.6 | Very low | 31.8 | Very low | 103 Ų | 103 | 107.2 Ų | 107.2 | 72% | 0.72 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 133.8 | 161.2 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | V28 F32 | V28-S30 PolarHBondContact O-N 2.96Å; V28-S30 VanDerWaalsContact O-N 3.17Å; S30-F32 PolarHBondContact O-N 3.47Å |
| 31 | P | 36.1 | Very low | 32.6 | Very low | 105 Ų | 105 | 98.5 Ų | 98.5 | 68% | 0.682 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 126.2 | -171.2 | 30.2 | -31.2 | 0 | 0 | 0 | 111.4 | ||
| 32 | F | 32.6 | Very low | 33.2 | Very low | 156 Ų | 156 | 96.8 Ų | 96.8 | 68% | 0.684 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 144 | 157.7 | -98.4 | -102.3 | 0 | 0 | 0 | 110 | S30 Q34 | S30-F32 PolarHBondContact O-N 3.47Å; F32-Q34 PolarHBondContact O-N 3.09Å |
| 33 | C | 36.7 | Very low | 33.7 | Very low | 85 Ų | 85 | 96.2 Ų | 96.2 | 57% | 0.574 | 61% | 0.605 | S | S | * | * | trans | -79.4 | 98.6 | 178.1 | -157.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 34 | Q | 37.1 | Very low | 34.5 | Very low | 75 Ų | 75 | 97.5 Ų | 97.5 | 35% | 0.35 | 61% | 0.608 | S | S | . | * | trans | -118.8 | 109.9 | 164.4 | -163 | 163.3 | -1.9 | 0 | 0 | 107.2 | F32 C36 C43 S45 | F32-Q34 PolarHBondContact O-N 3.09Å; Q34-C36 PolarHBondContact O-N 3.43Å; Q34-C43 VanDerWaalsContact CB-O 3.23Å; Q34-C43 WeakPolarHBondContact CB-O 3.4Å; Q34-C43 VanDerWaalsContact CD-O 3.3Å; Q34-C43 HydrophobicContact CG-CB 4.49Å; Q34-C43 PolarHBondContact OE1-O 3.02Å; Q34-S45 PolarHBondContact NE2-O 2.89Å; Q34-S45 PolarHBondContact OE1-O 2.89Å | ||
| 35 | V | 40.1 | Very low | 35 | Very low | 66 Ų | 66 | 95.2 Ų | 95.2 | 40% | 0.4 | 59% | 0.592 | S | S | . | * | trans | -70.4 | 99.7 | 179.8 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | C37 F63 | V35-C37 PolarHBondContact O-N 3.31Å; V35-F63 HydrophobicContact CG1-CZ 4.45Å; V35-F63 HydrophobicContact CG2-CE2 4.14Å; V35-F63 HydrophobicContact CG2-CZ 4.09Å | ||
| 36 | C | 37.8 | Very low | 35.3 | Very low | 42 Ų | 42 | 95.1 Ų | 95.1 | 28% | 0.284 | 59% | 0.59 | S | S | . | * | trans | -76.9 | 112.3 | 165 | -160 | 0 | 0 | 0 | 0 | 107.4 | Q34 C38 | Q34-C36 PolarHBondContact O-N 3.43Å; C36-C38 PolarHBondContact O-N 3.1Å; C36-C38 VanDerWaalsContact O-N 3.13Å | ||
| 37 | C | 43 | Very low | 35.5 | Very low | 76 Ų | 76 | 94.3 Ų | 94.3 | 51% | 0.514 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.2 | -17.3 | -180 | -69.5 | 0 | 0 | 0 | 0 | 113.2 | V35 L156 | V35-C37 PolarHBondContact O-N 3.31Å; C37-L156 WeakPolarHBondContact O-CB 3.36Å |
| 38 | C | 40.9 | Very low | 36 | Very low | 97 Ų | 97 | 97.2 Ų | 97.2 | 66% | 0.655 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.9 | 16 | -164.6 | -59.1 | 0 | 0 | 0 | 0 | 116.4 | C36 L156 | C36-C38 PolarHBondContact O-N 3.1Å; C36-C38 VanDerWaalsContact O-N 3.13Å; C38-L156 WeakPolarHBondContact SG-CD2 3.36Å |
| 39 | G | 40 | Very low | 36.4 | Very low | 19 Ų | 19 | 95.7 Ų | 95.7 | 20% | 0.196 | 59% | 0.594 | C | S | . | * | trans | -164.6 | 169.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 117 | A41 | G39-A41 VanDerWaalsContact C-N 3.31Å; G39-A41 PolarHBondContact O-N 3.06Å | ||
| 40 | P | 43.2 | Very low | 36.9 | Very low | 95 Ų | 95 | 98.7 Ų | 98.7 | 62% | 0.617 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -79.8 | -3.3 | -178.8 | 29.5 | -31.4 | 0 | 0 | 0 | 114.6 | F154 | P40-F154 HydrophobicContact CB-CE1 4.43Å; P40-F154 HydrophobicContact CB-CE2 4.36Å; P40-F154 HydrophobicContact CB-CZ 3.75Å; P40-F154 HydrophobicContact CG-CE1 4.5Å; P40-F154 HydrophobicContact CG-CZ 4.12Å |
| 41 | A | 41.5 | Very low | 37.1 | Very low | 64 Ų | 64 | 104.9 Ų | 104.9 | 53% | 0.529 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -107.6 | 137 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | G39 C43 | G39-A41 VanDerWaalsContact C-N 3.31Å; G39-A41 PolarHBondContact O-N 3.06Å; A41-C43 PolarHBondContact O-N 2.85Å |
| 42 | P | 37.7 | Very low | 36.9 | Very low | 85 Ų | 85 | 105.2 Ų | 105.2 | 55% | 0.552 | 61% | 0.61 | S | S | * | * | trans | -71 | 117.6 | 170.9 | 26.9 | -28.7 | 0 | 0 | 0 | 109.4 | A44 | P42-A44 PolarHBondContact O-N 2.86Š| ||
| 43 | C | 35.2 | Very low | 37.1 | Very low | 67 Ų | 67 | 103.5 Ų | 103.5 | 45% | 0.453 | 62% | 0.618 | S | S | . | * | trans | -61.3 | 126.9 | 166 | -70.5 | 0 | 0 | 0 | 0 | 107.9 | Q34 A41 | Q34-C43 VanDerWaalsContact CB-O 3.23Å; Q34-C43 WeakPolarHBondContact CB-O 3.4Å; Q34-C43 VanDerWaalsContact CD-O 3.3Å; Q34-C43 HydrophobicContact CG-CB 4.49Å; Q34-C43 PolarHBondContact OE1-O 3.02Å; A41-C43 PolarHBondContact O-N 2.85Å | ||
| 44 | A | 39.6 | Very low | 37.6 | Very low | 101 Ų | 101 | 104.5 Ų | 104.5 | 84% | 0.835 | 62% | 0.617 | S | S | * | * | trans | -111.1 | 82.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | P42 | P42-A44 PolarHBondContact O-N 2.86Š| ||
| 45 | S | 36.8 | Very low | 38.5 | Very low | 82 Ų | 82 | 104.9 Ų | 104.9 | 57% | 0.573 | 62% | 0.624 | S | S | * | * | trans | -167 | 125.9 | 161.4 | -170 | 0 | 0 | 0 | 0 | 109.8 | Q34 | Q34-S45 PolarHBondContact NE2-O 2.89Å; Q34-S45 PolarHBondContact OE1-O 2.89Å | ||
| 46 | C | 31.3 | Very low | 39.4 | Very low | 103 Ų | 103 | 105.1 Ų | 105.1 | 70% | 0.696 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 82.9 | 89.1 | 173.3 | -52.7 | 0 | 0 | 0 | 0 | 116.4 | ||
| 47 | C | 29.8 | Very low | 40.4 | Very low | 115 Ų | 115 | 103.9 Ų | 103.9 | 78% | 0.777 | 63% | 0.625 | S | S | * | * | 171.6 | 107.8 | 120.7 | -90.5 | 0 | 0 | 0 | 0 | 110.9 | S49 | C47-S49 PolarHBondContact O-N 2.91Š| |||
| 48 | H | 35.8 | Very low | 41.2 | Very low | 197 Ų | 197 | 101.7 Ų | 101.7 | 91% | 0.912 | 61% | 0.609 | S | S | * | * | trans | -75.2 | 107.5 | 163.5 | -111.1 | -65.5 | 0 | 0 | 0 | 108.2 | ||||
| 49 | S | 36.3 | Very low | 42.5 | Very low | 98 Ų | 98 | 98.1 Ų | 98.1 | 69% | 0.685 | 59% | 0.585 | S | S | * | * | trans | -156.4 | 153.2 | 157.2 | -162.3 | 0 | 0 | 0 | 0 | 113.2 | C47 W51 | C47-S49 PolarHBondContact O-N 2.91Å; S49-W51 PolarHBondContact O-N 3.5Å; S49-W51 VanDerWaalsContact O-N 3.11Å | ||
| 50 | R | 34.8 | Very low | 44.1 | Very low | 241 Ų | 241 | 97.3 Ų | 97.3 | 91% | 0.909 | 58% | 0.576 | S | S | * | * | trans | -84.3 | 67 | -154.9 | -168.4 | -175.7 | -74.4 | -164.8 | -4.7 | 111.9 | ||||
| 51 | W | 33.1 | Very low | 45.6 | Very low | 233 Ų | 233 | 94.5 Ų | 94.5 | 88% | 0.883 | 55% | 0.553 | S | S | * | * | trans | -118.6 | 146.1 | 175.7 | -83.2 | -16.6 | 0 | 0 | 0 | 113.3 | S49 | S49-W51 PolarHBondContact O-N 3.5Å; S49-W51 VanDerWaalsContact O-N 3.11Å | ||
| 52 | P | 32.4 | Very low | 47.1 | Very low | 112 Ų | 112 | 95.4 Ų | 95.4 | 73% | 0.727 | 55% | 0.549 | S | S | * | . | trans | -60.9 | 140.9 | 179.8 | 24.9 | -31.8 | 0 | 0 | 0 | 110.8 | L54 | P52-L54 PolarHBondContact O-N 3.46Š| ||
| 53 | S | 36.6 | Very low | 49.2 | Very low | 121 Ų | 121 | 94.3 Ų | 94.3 | 85% | 0.846 | 54% | 0.536 | S | S | * | . | trans | -63.2 | 100.1 | -177.6 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 54 | L | 45.9 | Very low | 51.4 | Low | 106 Ų | 106 | 91.1 Ų | 91.1 | 56% | 0.555 | 51% | 0.514 | S | S | * | . | trans | -73.7 | 128.3 | 171.5 | -74 | 158.9 | 0 | 0 | 0 | 109.8 | P52 T58 | P52-L54 PolarHBondContact O-N 3.46Å; L54-T58 HydrophobicContact CD2-CG2 3.85Å | ||
| 55 | T | 57.6 | Low | 53.1 | Low | 82 Ų | 82 | 87.4 Ų | 87.4 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | trans | -66.9 | 147.5 | 173.7 | 73.6 | 0 | 0 | 0 | 0 | 110.7 | S57 T58 C59 | T55-S57 PolarHBondContact O-N 2.94Å; T55-S57 VanDerWaalsContact O-N 3.07Å; T55-S57 PolarHBondContact OG1-OG 3.09Å; T55-T58 WeakPolarHBondContact O-CB 2.88Å; T55-T58 PolarHBondContact O-N 3.44Å; T55-T58 PolarHBondContact OG1-N 3.33Å; T55-T58 PolarHBondContact OG1-OG1 2.89Å; T55-T58 VanDerWaalsContact OG1-OG1 3.1Å; T55-C59 PolarHBondContact O-N 2.85Å; T55-C59 VanDerWaalsContact O-N 3.15Å | ||
| 56 | A | 59.3 | Low | 55.1 | Low | 72 Ų | 72 | 88.9 Ų | 88.9 | 60% | 0.595 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -53.5 | -31.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S60 | A56-S60 PolarHBondContact O-N 3.06Å; A56-S60 VanDerWaalsContact O-N 3.12Å; A56-S60 PolarHBondContact O-OG 3.35Å |
| 57 | S | 56.9 | Low | 57.7 | Low | 16 Ų | 16 | 85.7 Ų | 85.7 | 11% | 0.112 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -72.4 | -31.1 | 176.9 | 86.4 | 0 | 0 | 0 | 0 | 113.5 | T55 R61 S422 | T55-S57 PolarHBondContact O-N 2.94Å; T55-S57 VanDerWaalsContact O-N 3.07Å; T55-S57 PolarHBondContact OG1-OG 3.09Å; S57-R61 WeakPolarHBondContact O-CG 3.08Å; S57-R61 PolarHBondContact O-N 2.85Å; S57-R61 PolarHBondContact O-NE 3.43Å; S57-S422 VanDerWaalsContact CB-OG 3.27Å; S57-S422 WeakPolarHBondContact CB-OG 2.85Å; S57-S422 PolarHBondContact OG-OG 3.09Å |
| 58 | T | 61.2 | Low | 60.2 | Low | 29 Ų | 29 | 80.5 Ų | 80.5 | 18% | 0.178 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -72.1 | -43.3 | 174.2 | -57.6 | 0 | 0 | 0 | 0 | 110.8 | L54 T55 S60 R61 L62 | L54-T58 HydrophobicContact CD2-CG2 3.85Å; T55-T58 WeakPolarHBondContact O-CB 2.88Å; T55-T58 PolarHBondContact O-N 3.44Å; T55-T58 PolarHBondContact OG1-N 3.33Å; T55-T58 PolarHBondContact OG1-OG1 2.89Å; T55-T58 VanDerWaalsContact OG1-OG1 3.1Å; T58-S60 VanDerWaalsContact C-N 3.33Å; T58-S60 PolarHBondContact O-N 2.81Å; T58-R61 PolarHBondContact O-N 3.47Å; T58-R61 PolarHBondContact OG1-NH2 2.81Å; T58-L62 HydrophobicContact CG2-CD1 4.48Å; T58-L62 WeakPolarHBondContact O-CG 3.39Å; T58-L62 PolarHBondContact O-N 3.24Å; T58-L62 VanDerWaalsContact O-N 3.17Å |
| 59 | C | 67.9 | Low | 62.1 | Low | 22 Ų | 22 | 73.2 Ų | 73.2 | 15% | 0.149 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61 | -42.6 | 177.7 | -165.2 | 0 | 0 | 0 | 0 | 111.9 | T55 R61 L62 F63 | T55-C59 PolarHBondContact O-N 2.85Å; T55-C59 VanDerWaalsContact O-N 3.15Å; C59-R61 PolarHBondContact O-N 3.32Å; C59-L62 PolarHBondContact O-N 2.8Å; C59-F63 WeakPolarHBondContact O-CD2 3.49Å; C59-F63 PolarHBondContact O-N 3.36Å; C59-F63 VanDerWaalsContact O-N 3.08Å; C59-F63 WeakPolarHBondContact SG-CE2 3.33Å |
| 60 | S | 73.6 | Confident | 64.2 | Low | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.014 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.4 | -38 | 179.1 | -55.1 | 0 | 0 | 0 | 0 | 113.5 | A56 T58 F63 Y64 N152 W155 | A56-S60 PolarHBondContact O-N 3.06Å; A56-S60 VanDerWaalsContact O-N 3.12Å; A56-S60 PolarHBondContact O-OG 3.35Å; T58-S60 VanDerWaalsContact C-N 3.33Å; T58-S60 PolarHBondContact O-N 2.81Å; S60-F63 PolarHBondContact O-N 2.77Å; S60-Y64 WeakPolarHBondContact O-CD2 3.46Å; S60-Y64 PolarHBondContact O-N 2.79Å; S60-N152 WeakPolarHBondContact OG-CA 3.29Å; S60-N152 PolarHBondContact OG-O 3.13Å; S60-N152 PolarHBondContact OG-OD1 3.12Å; S60-W155 VanDerWaalsContact CA-CZ2 3.48Å; S60-W155 WeakPolarHBondContact O-CH2 3.32Å |
| 61 | R | 75.3 | Confident | 66.7 | Low | 36 Ų | 36 | 59.1 Ų | 59.1 | 14% | 0.136 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.7 | -47.7 | 174 | -72.4 | 178.8 | -71.7 | 170.5 | 8.4 | 111.4 | S57 T58 C59 F63 Y64 I65 Y423 F428 | S57-R61 WeakPolarHBondContact O-CG 3.08Å; S57-R61 PolarHBondContact O-N 2.85Å; S57-R61 PolarHBondContact O-NE 3.43Å; T58-R61 PolarHBondContact O-N 3.47Å; T58-R61 PolarHBondContact OG1-NH2 2.81Å; C59-R61 PolarHBondContact O-N 3.32Å; R61-F63 VanDerWaalsContact C-N 3.31Å; R61-F63 PolarHBondContact O-N 3.49Å; R61-Y64 PolarHBondContact O-N 2.98Å; R61-I65 VanDerWaalsContact O-CG1 3.3Å; R61-I65 WeakPolarHBondContact O-CG1 2.99Å; R61-I65 PolarHBondContact O-N 2.82Å; R61-Y423 HydrophobicContact CG-CE1 3.76Å; R61-Y423 HydrophobicContact CG-CE2 4.39Å; R61-Y423 VanDerWaalsContact CG-OH 3.25Å; R61-Y423 WeakPolarHBondContact CG-OH 3.41Å; R61-F428 HydrophobicContact CB-CE2 4.35Å; R61-F428 HydrophobicContact CB-CZ 4.3Å; R61-F428 HydrophobicContact CG-CE2 3.92Å; R61-F428 HydrophobicContact CG-CZ 4.08Å |
| 62 | L | 72.9 | Confident | 68.9 | Low | 83 Ų | 83 | 48.7 Ų | 48.7 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.9 | -43.1 | 178.5 | -70.4 | 171.7 | 0 | 0 | 0 | 112 | T58 C59 Y64 I65 L66 | T58-L62 HydrophobicContact CG2-CD1 4.48Å; T58-L62 WeakPolarHBondContact O-CG 3.39Å; T58-L62 PolarHBondContact O-N 3.24Å; T58-L62 VanDerWaalsContact O-N 3.17Å; C59-L62 PolarHBondContact O-N 2.8Å; L62-Y64 PolarHBondContact O-N 3.34Å; L62-I65 WeakPolarHBondContact O-CB 3.48Å; L62-I65 PolarHBondContact O-N 3.03Å; L62-L66 VanDerWaalsContact O-CG 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.13Å; L62-L66 PolarHBondContact O-N 3.2Å |
| 63 | F | 80.8 | Confident | 71.1 | Confident | 63 Ų | 63 | 44.6 Ų | 44.6 | 28% | 0.276 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 177.4 | -80.4 | -64.1 | 0 | 0 | 0 | 113.2 | V35 C59 S60 R61 I65 L66 L67 W155 | V35-F63 HydrophobicContact CG1-CZ 4.45Å; V35-F63 HydrophobicContact CG2-CE2 4.14Å; V35-F63 HydrophobicContact CG2-CZ 4.09Å; C59-F63 WeakPolarHBondContact O-CD2 3.49Å; C59-F63 PolarHBondContact O-N 3.36Å; C59-F63 VanDerWaalsContact O-N 3.08Å; C59-F63 WeakPolarHBondContact SG-CE2 3.33Å; S60-F63 PolarHBondContact O-N 2.77Å; R61-F63 VanDerWaalsContact C-N 3.31Å; R61-F63 PolarHBondContact O-N 3.49Å; F63-I65 VanDerWaalsContact C-N 3.33Å; F63-I65 PolarHBondContact O-N 3.06Å; F63-L66 PolarHBondContact O-N 3.49Å; F63-L67 WeakPolarHBondContact O-CG 3.22Å; F63-L67 PolarHBondContact O-N 3.24Å; F63-W155 HydrophobicContact CB-CD2 4.15Å; F63-W155 HydrophobicContact CB-CE3 3.69Å; F63-W155 HydrophobicContact CB-CH2 3.47Å; F63-W155 VanDerWaalsContact CB-CH2 3.47Å; F63-W155 HydrophobicContact CB-CZ2 3.93Å; F63-W155 HydrophobicContact CB-CZ3 3.32Å; F63-W155 HydrophobicContact CD2-CD2 4.18Å; F63-W155 AromaticContact CD2-CE2 3.76Å; F63-W155 HydrophobicContact CD2-CH2 4.31Å; F63-W155 AromaticContact CD2-CZ2 3.87Å; F63-W155 HydrophobicContact CD2-CZ2 3.87Å; F63-W155 HydrophobicContact CG-CD2 4.16Å; F63-W155 HydrophobicContact CG-CE3 4.16Å; F63-W155 HydrophobicContact CG-CH2 4.27Å; F63-W155 HydrophobicContact CG-CZ2 4.25Å; F63-W155 HydrophobicContact CG-CZ3 4.21Å |
| 64 | Y | 81.4 | Confident | 73.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 175.1 | -74 | -56.8 | 0 | 0 | 0 | 112.8 | S60 R61 L62 L67 H68 F129 Q133 H151 W155 K158 F428 H429 | S60-Y64 WeakPolarHBondContact O-CD2 3.46Å; S60-Y64 PolarHBondContact O-N 2.79Å; R61-Y64 PolarHBondContact O-N 2.98Å; L62-Y64 PolarHBondContact O-N 3.34Å; Y64-L67 HydrophobicContact CD1-CD1 4.21Å; Y64-L67 PolarHBondContact O-N 3.07Å; Y64-H68 WeakPolarHBondContact O-CB 3.45Å; Y64-H68 PolarHBondContact O-N 3.31Å; Y64-F129 HydrophobicContact CD1-CE1 4.35Å; Y64-F129 HydrophobicContact CE1-CE1 4.17Å; Y64-F129 HydrophobicContact CE1-CZ 4.14Å; Y64-Q133 VanDerWaalsContact CE1-NE2 3.32Å; Y64-Q133 PolarHBondContact OH-NE2 3.43Å; Y64-Q133 PolarHBondContact OH-OE1 3.44Å; Y64-H151 AromaticContact CE2-CE1 3.5Å; Y64-H151 VanDerWaalsContact CE2-CE1 3.5Å; Y64-H151 WeakPolarHBondContact CE2-CE1 3.44Å; Y64-H151 AromaticContact CE2-ND1 3.76Å; Y64-H151 PolarHBondContact OH-O 2.84Å; Y64-W155 HydrophobicContact CD1-CZ3 4.19Å; Y64-W155 HydrophobicContact CD2-CH2 4.04Å; Y64-W155 HydrophobicContact CD2-CZ3 4.33Å; Y64-W155 HydrophobicContact CE1-CH2 4.42Å; Y64-W155 AromaticContact CE1-CZ3 3.93Å; Y64-W155 HydrophobicContact CE1-CZ3 3.93Å; Y64-W155 AromaticContact CE2-CH2 3.79Å; Y64-W155 HydrophobicContact CE2-CH2 3.79Å; Y64-W155 HydrophobicContact CE2-CZ3 4.14Å; Y64-W155 HydrophobicContact CG-CH2 4.5Å; Y64-W155 HydrophobicContact CG-CZ3 4.37Å; Y64-W155 AromaticContact CZ-CH2 3.99Å; Y64-W155 AromaticContact CZ-CZ3 3.93Å; Y64-K158 HydrophobicContact CE1-CD 4.24Å; Y64-K158 WeakPolarHBondContact OH-CD 3.38Å; Y64-K158 WeakPolarHBondContact OH-CE 3.42Å; Y64-K158 PolarHBondContact OH-NZ 2.98Å; Y64-F428 AromaticContact CD2-CE1 3.69Å; Y64-F428 HydrophobicContact CD2-CE1 3.69Å; Y64-F428 HydrophobicContact CD2-CZ 4.26Å; Y64-F428 HydrophobicContact CG-CE1 4.07Å; Y64-H429 AromaticContact CD1-CE1 3.77Å; Y64-H429 AromaticContact CD2-CE1 3.83Å; Y64-H429 AromaticContact CE1-CE1 3.64Å; Y64-H429 AromaticContact CE2-CE1 3.64Å; Y64-H429 AromaticContact CE2-NE2 3.65Å; Y64-H429 AromaticContact CG-CE1 3.88Å; Y64-H429 AromaticContact CZ-CE1 3.54Å; Y64-H429 AromaticContact CZ-NE2 3.71Å |
| 65 | I | 75.7 | Confident | 75.1 | Confident | 23 Ų | 23 | 37.9 Ų | 37.9 | 12% | 0.118 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.8 | -48.9 | 172.4 | -64.8 | 161.8 | 0 | 0 | 0 | 109.8 | R61 L62 F63 L67 H68 V69 F432 | R61-I65 VanDerWaalsContact O-CG1 3.3Å; R61-I65 WeakPolarHBondContact O-CG1 2.99Å; R61-I65 PolarHBondContact O-N 2.82Å; L62-I65 WeakPolarHBondContact O-CB 3.48Å; L62-I65 PolarHBondContact O-N 3.03Å; F63-I65 VanDerWaalsContact C-N 3.33Å; F63-I65 PolarHBondContact O-N 3.06Å; I65-L67 PolarHBondContact O-N 2.94Å; I65-H68 PolarHBondContact O-N 3.47Å; I65-V69 HydrophobicContact CG2-CG2 4.19Å; I65-V69 WeakPolarHBondContact O-CB 3.2Å; I65-V69 VanDerWaalsContact O-CG2 3.3Å; I65-V69 WeakPolarHBondContact O-CG2 3.23Å; I65-V69 PolarHBondContact O-N 3.05Å; I65-F432 HydrophobicContact CG1-CZ 3.78Å |
| 66 | L | 78.1 | Confident | 75.9 | Confident | 112 Ų | 112 | 35.2 Ų | 35.2 | 59% | 0.586 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -62 | -40.9 | 179.4 | -71 | 172.3 | 0 | 0 | 0 | 112.5 | L62 F63 G70 | L62-L66 VanDerWaalsContact O-CG 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.13Å; L62-L66 PolarHBondContact O-N 3.2Å; F63-L66 PolarHBondContact O-N 3.49Å; L66-G70 PolarHBondContact O-N 3.06Å |
| 67 | L | 85.8 | Confident | 76.8 | Confident | 37 Ų | 37 | 36.1 Ų | 36.1 | 19% | 0.194 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | 175.1 | -73.7 | 173.4 | 0 | 0 | 0 | 111.4 | F63 Y64 I65 G70 A71 L159 | F63-L67 WeakPolarHBondContact O-CG 3.22Å; F63-L67 PolarHBondContact O-N 3.24Å; Y64-L67 HydrophobicContact CD1-CD1 4.21Å; Y64-L67 PolarHBondContact O-N 3.07Å; I65-L67 PolarHBondContact O-N 2.94Å; L67-G70 PolarHBondContact O-N 3.38Å; L67-A71 WeakPolarHBondContact O-CB 3.45Å; L67-A71 PolarHBondContact O-N 2.84Å; L67-L159 HydrophobicContact CD2-CD1 3.89Å |
| 68 | H | 81.8 | Confident | 77.8 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.028 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69 | -42.5 | -179.6 | -172 | 80.9 | 0 | 0 | 0 | 112.5 | Y64 I65 G70 A71 S72 H130 F432 S436 | Y64-H68 WeakPolarHBondContact O-CB 3.45Å; Y64-H68 PolarHBondContact O-N 3.31Å; I65-H68 PolarHBondContact O-N 3.47Å; H68-G70 VanDerWaalsContact C-N 3.35Å; H68-A71 PolarHBondContact O-N 3.45Å; H68-S72 WeakPolarHBondContact O-CB 3.38Å; H68-S72 PolarHBondContact O-N 3.35Å; H68-S72 PolarHBondContact O-OG 2.88Å; H68-H130 AromaticContact ND1-NE2 3.92Å; H68-F432 HydrophobicContact CB-CD1 3.73Å; H68-F432 HydrophobicContact CB-CE1 3.67Å; H68-F432 AromaticContact CG-CD1 3.61Å; H68-F432 AromaticContact CG-CE1 3.86Å; H68-F432 AromaticContact ND1-CD1 3.8Å; H68-S436 PolarHBondContact CE1-N 3.28Å; H68-S436 PolarHBondContact CE1-OG 2.72Å; H68-S436 VanDerWaalsContact CE1-OG 3.25Å |
| 69 | V | 77.6 | Confident | 78.4 | Confident | 44 Ų | 44 | 35.9 Ų | 35.9 | 27% | 0.267 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.9 | -43.3 | 174.1 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | I65 A71 S72 A73 L353 | I65-V69 HydrophobicContact CG2-CG2 4.19Å; I65-V69 WeakPolarHBondContact O-CB 3.2Å; I65-V69 VanDerWaalsContact O-CG2 3.3Å; I65-V69 WeakPolarHBondContact O-CG2 3.23Å; I65-V69 PolarHBondContact O-N 3.05Å; V69-A71 PolarHBondContact O-N 3.19Å; V69-S72 PolarHBondContact O-N 3.11Å; V69-A73 WeakPolarHBondContact O-CB 3.02Å; V69-A73 PolarHBondContact O-N 3Å; V69-L353 HydrophobicContact CG1-CD2 3.94Å; V69-L353 HydrophobicContact CG2-CD2 4.28Å |
| 70 | G | 80.3 | Confident | 78.6 | Confident | 31 Ų | 31 | 35.4 Ų | 35.4 | 32% | 0.32 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.7 | -45.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L66 L67 H68 S72 A73 I74 | L66-G70 PolarHBondContact O-N 3.06Å; L67-G70 PolarHBondContact O-N 3.38Å; H68-G70 VanDerWaalsContact C-N 3.35Å; G70-S72 PolarHBondContact O-N 3.34Å; G70-A73 PolarHBondContact O-N 2.91Å; G70-I74 WeakPolarHBondContact O-CG1 3.15Å; G70-I74 PolarHBondContact O-N 3.48Å |
| 71 | A | 85.7 | Confident | 78.4 | Confident | 12 Ų | 12 | 40.7 Ų | 40.7 | 10% | 0.099 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L67 H68 V69 I74 C75 T126 | L67-A71 WeakPolarHBondContact O-CB 3.45Å; L67-A71 PolarHBondContact O-N 2.84Å; H68-A71 PolarHBondContact O-N 3.45Å; V69-A71 PolarHBondContact O-N 3.19Å; A71-I74 WeakPolarHBondContact O-CB 3.5Å; A71-I74 PolarHBondContact O-N 3.14Å; A71-C75 PolarHBondContact O-N 3.34Å; A71-C75 PolarHBondContact O-SG 3.38Å; A71-C75 VanDerWaalsContact O-SG 3.37Å; A71-T126 HydrophobicContact CB-CG2 3.51Å |
| 72 | S | 80.6 | Confident | 78 | Confident | 14 Ų | 14 | 41.3 Ų | 41.3 | 10% | 0.098 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.6 | -41 | 175.6 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | H68 V69 G70 C75 C76 | H68-S72 WeakPolarHBondContact O-CB 3.38Å; H68-S72 PolarHBondContact O-N 3.35Å; H68-S72 PolarHBondContact O-OG 2.88Å; V69-S72 PolarHBondContact O-N 3.11Å; G70-S72 PolarHBondContact O-N 3.34Å; S72-C75 WeakPolarHBondContact O-CB 3.31Å; S72-C75 PolarHBondContact O-N 2.81Å; S72-C76 PolarHBondContact O-N 2.67Å; S72-C76 PolarHBondContact O-SG 3.5Å; S72-C76 VanDerWaalsContact O-SG 3.4Å |
| 73 | A | 77.8 | Confident | 77.9 | Confident | 26 Ų | 26 | 39.8 Ų | 39.8 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.3 | -43.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V69 G70 C75 C76 L77 | V69-A73 WeakPolarHBondContact O-CB 3.02Å; V69-A73 PolarHBondContact O-N 3Å; G70-A73 PolarHBondContact O-N 2.91Å; A73-C75 PolarHBondContact O-N 2.89Å; A73-C76 WeakPolarHBondContact O-CB 3.23Å; A73-C76 PolarHBondContact O-N 3.26Å; A73-L77 VanDerWaalsContact O-CG 3.31Å; A73-L77 WeakPolarHBondContact O-CG 3.13Å; A73-L77 PolarHBondContact O-N 3.23Å |
| 74 | I | 83.1 | Confident | 77.3 | Confident | 84 Ų | 84 | 37.9 Ų | 37.9 | 43% | 0.431 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.7 | -48.5 | 173.1 | -68.3 | 164.4 | 0 | 0 | 0 | 110.3 | G70 A71 C76 L77 L78 | G70-I74 WeakPolarHBondContact O-CG1 3.15Å; G70-I74 PolarHBondContact O-N 3.48Å; A71-I74 WeakPolarHBondContact O-CB 3.5Å; A71-I74 PolarHBondContact O-N 3.14Å; I74-C76 VanDerWaalsContact C-N 3.3Å; I74-C76 PolarHBondContact O-N 3.4Å; I74-L77 WeakPolarHBondContact O-CB 3.31Å; I74-L77 PolarHBondContact O-N 3.43Å; I74-L78 HydrophobicContact CG2-CD1 3.86Å; I74-L78 HydrophobicContact CG2-CG 4.08Å; I74-L78 VanDerWaalsContact O-CG 3.3Å; I74-L78 WeakPolarHBondContact O-CG 3.43Å; I74-L78 PolarHBondContact O-N 3.04Å |
| 75 | C | 83.2 | Confident | 76.8 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.6 | -43 | 176.5 | -68.8 | 0 | 0 | 0 | 0 | 112.6 | A71 S72 A73 L78 L79 V119 V122 L443 | A71-C75 PolarHBondContact O-N 3.34Å; A71-C75 PolarHBondContact O-SG 3.38Å; A71-C75 VanDerWaalsContact O-SG 3.37Å; S72-C75 WeakPolarHBondContact O-CB 3.31Å; S72-C75 PolarHBondContact O-N 2.81Å; A73-C75 PolarHBondContact O-N 2.89Å; C75-L78 PolarHBondContact O-N 2.99Å; C75-L79 WeakPolarHBondContact O-CB 3.32Å; C75-L79 PolarHBondContact O-N 3.11Å; C75-L79 VanDerWaalsContact O-N 3.11Å; C75-V119 HydrophobicContact CB-CG1 4.05Å; C75-V119 HydrophobicContact CB-CG2 4.16Å; C75-V119 WeakPolarHBondContact O-CG2 3.36Å; C75-V122 VanDerWaalsContact SG-CG1 3.53Å; C75-L443 HydrophobicContact CB-CD1 3.54Å |
| 76 | C | 74.9 | Confident | 76.6 | Confident | 26 Ų | 26 | 51 Ų | 51 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 175.5 | -69 | 0 | 0 | 0 | 0 | 112.4 | S72 A73 I74 L79 S80 | S72-C76 PolarHBondContact O-N 2.67Å; S72-C76 PolarHBondContact O-SG 3.5Å; S72-C76 VanDerWaalsContact O-SG 3.4Å; A73-C76 WeakPolarHBondContact O-CB 3.23Å; A73-C76 PolarHBondContact O-N 3.26Å; I74-C76 VanDerWaalsContact C-N 3.3Å; I74-C76 PolarHBondContact O-N 3.4Å; C76-L79 PolarHBondContact O-N 3.01Å; C76-S80 PolarHBondContact O-N 3.18Å; C76-S80 VanDerWaalsContact O-N 3.17Å |
| 77 | L | 78.1 | Confident | 76.1 | Confident | 92 Ų | 92 | 50.5 Ų | 50.5 | 48% | 0.482 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 177.7 | -65.7 | 170.5 | 0 | 0 | 0 | 111.3 | A73 I74 L79 S80 V83 | A73-L77 VanDerWaalsContact O-CG 3.31Å; A73-L77 WeakPolarHBondContact O-CG 3.13Å; A73-L77 PolarHBondContact O-N 3.23Å; I74-L77 WeakPolarHBondContact O-CB 3.31Å; I74-L77 PolarHBondContact O-N 3.43Å; L77-L79 PolarHBondContact O-N 3.06Å; L77-S80 PolarHBondContact O-N 3.17Å; L77-V83 HydrophobicContact CD2-CG1 3.9Å |
| 78 | L | 77.3 | Confident | 75.1 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 19% | 0.194 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.2 | -26.5 | 179.2 | -63.7 | -179.1 | 0 | 0 | 0 | 112.8 | I74 C75 L113 S114 G115 A118 V122 | I74-L78 HydrophobicContact CG2-CD1 3.86Å; I74-L78 HydrophobicContact CG2-CG 4.08Å; I74-L78 VanDerWaalsContact O-CG 3.3Å; I74-L78 WeakPolarHBondContact O-CG 3.43Å; I74-L78 PolarHBondContact O-N 3.04Å; C75-L78 PolarHBondContact O-N 2.99Å; L78-L113 WeakPolarHBondContact CD2-O 3.34Å; L78-S114 WeakPolarHBondContact O-CA 3.41Å; L78-S114 WeakPolarHBondContact O-CB 3.42Å; L78-G115 PolarHBondContact O-N 3.36Å; L78-A118 HydrophobicContact CB-CB 4.39Å; L78-A118 HydrophobicContact CD1-CB 4.1Å; L78-V122 HydrophobicContact CD1-CG2 3.92Å |
| 79 | L | 74.9 | Confident | 74.3 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -86.7 | -18.5 | 178.2 | -162.4 | 64.2 | 0 | 0 | 0 | 113.1 | C75 C76 L77 V119 L443 L454 | C75-L79 WeakPolarHBondContact O-CB 3.32Å; C75-L79 PolarHBondContact O-N 3.11Å; C75-L79 VanDerWaalsContact O-N 3.11Å; C76-L79 PolarHBondContact O-N 3.01Å; L77-L79 PolarHBondContact O-N 3.06Å; L79-V119 HydrophobicContact CB-CG2 4.09Å; L79-V119 HydrophobicContact CD1-CG2 4.24Å; L79-L443 HydrophobicContact CD2-CB 4.08Å; L79-L443 WeakPolarHBondContact CD2-O 3.18Å; L79-L454 HydrophobicContact CB-CB 4.17Å; L79-L454 HydrophobicContact CD2-CB 4.04Å; L79-L454 HydrophobicContact CD2-CD1 3.79Å; L79-L454 HydrophobicContact CG-CB 3.79Å; L79-L454 HydrophobicContact CG-CD1 4.4Å; L79-L454 WeakPolarHBondContact O-CB 3.46Å; L79-L454 PolarHBondContact O-N 3.31Å |
| 80 | S | 72.6 | Confident | 73.4 | Confident | 12 Ų | 12 | 64.3 Ų | 64.3 | 8% | 0.084 | 33% | 0.327 | C | S | . | . | trans | -82.9 | 113.4 | -179.7 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | C76 L77 V83 V84 | C76-S80 PolarHBondContact O-N 3.18Å; C76-S80 VanDerWaalsContact O-N 3.17Å; L77-S80 PolarHBondContact O-N 3.17Å; S80-V83 WeakPolarHBondContact OG-CG2 3.31Å; S80-V83 PolarHBondContact OG-N 3.12Å; S80-V84 WeakPolarHBondContact O-CB 3.47Å; S80-V84 WeakPolarHBondContact O-CG2 3.39Å; S80-V84 PolarHBondContact O-N 2.94Å | ||
| 81 | R | 68.3 | Low | 72.1 | Confident | 113 Ų | 113 | 69.1 Ų | 69.1 | 43% | 0.426 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 176 | -74.2 | -169 | 167.5 | -178.7 | 4.5 | 112.2 | V83 V84 E85 E453 | R81-V83 VanDerWaalsContact C-N 3.31Å; R81-V83 PolarHBondContact O-N 2.97Å; R81-V84 PolarHBondContact O-N 3.36Å; R81-E85 WeakPolarHBondContact O-CB 3.39Å; R81-E85 WeakPolarHBondContact O-CG 3.46Å; R81-E85 PolarHBondContact O-N 3.22Å; R81-E453 VanDerWaalsContact CD-OE1 3.3Å; R81-E453 WeakPolarHBondContact CD-OE1 3.47Å; R81-E453 IonicContact CZ-OE1 2.66Å; R81-E453 IonicContact CZ-OE2 3.34Å; R81-E453 VanDerWaalsContact NE-CD 3.27Å; R81-E453 IonicContact NE-OE1 3.86Å; R81-E453 PolarHBondContact NE-OE1 3.1Å; R81-E453 IonicContact NE-OE2 2.69Å; R81-E453 IonicContact NH1-OE1 3.43Å; R81-E453 PolarHBondContact NH1-OE1 3.16Å; R81-E453 IonicContact NH1-OE2 2.95Å; R81-E453 PolarHBondContact NH1-OE2 2.05Å; R81-E453 IonicContact NH2-OE1 3.71Å; R81-E453 PolarHBondContact NH2-OE1 2.99Å; R81-E453 IonicContact NH2-OE2 3.55Å; R81-E453 PolarHBondContact NH2-OE2 2.94Å |
| 82 | T | 68 | Low | 70.3 | Confident | 49 Ų | 49 | 75.1 Ų | 75.1 | 30% | 0.301 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.3 | -43.3 | 179 | -56.7 | 0 | 0 | 0 | 0 | 112.5 | R86 E455 | T82-R86 WeakPolarHBondContact O-CB 3.44Å; T82-R86 WeakPolarHBondContact O-CG 3.44Å; T82-R86 PolarHBondContact O-N 3.38Å; T82-R86 VanDerWaalsContact O-N 3.08Å; T82-E455 WeakPolarHBondContact CB-OE1 3.43Å; T82-E455 PolarHBondContact N-OE1 3.5Å; T82-E455 PolarHBondContact OG1-OE1 3.38Å |
| 83 | V | 69.4 | Low | 69 | Low | 50 Ų | 50 | 84.2 Ų | 84.2 | 30% | 0.303 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -70.9 | -46.3 | 179.3 | 175.6 | 0 | 0 | 0 | 0 | 110.5 | L77 S80 R81 E85 R86 V87 | L77-V83 HydrophobicContact CD2-CG1 3.9Å; S80-V83 WeakPolarHBondContact OG-CG2 3.31Å; S80-V83 PolarHBondContact OG-N 3.12Å; R81-V83 VanDerWaalsContact C-N 3.31Å; R81-V83 PolarHBondContact O-N 2.97Å; V83-E85 VanDerWaalsContact C-N 3.32Å; V83-E85 PolarHBondContact O-N 3.09Å; V83-R86 PolarHBondContact O-N 3.37Å; V83-V87 HydrophobicContact CG1-CG2 4.05Å; V83-V87 WeakPolarHBondContact O-CG2 3.2Å; V83-V87 PolarHBondContact O-N 2.88Å |
| 84 | V | 69.1 | Low | 68 | Low | 23 Ų | 23 | 83.9 Ų | 83.9 | 14% | 0.139 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -56.1 | -46.6 | 176.8 | 162.4 | 0 | 0 | 0 | 0 | 111.2 | S80 R81 R86 W88 I94 | S80-V84 WeakPolarHBondContact O-CB 3.47Å; S80-V84 WeakPolarHBondContact O-CG2 3.39Å; S80-V84 PolarHBondContact O-N 2.94Å; R81-V84 PolarHBondContact O-N 3.36Å; V84-R86 PolarHBondContact O-N 3.29Å; V84-W88 VanDerWaalsContact O-CB 3.31Å; V84-W88 WeakPolarHBondContact O-CB 3.33Å; V84-W88 PolarHBondContact O-N 3.39Å; V84-I94 HydrophobicContact CB-CD1 4.44Å; V84-I94 HydrophobicContact CG1-CD1 3.62Å; V84-I94 HydrophobicContact CG1-CG1 3.94Å; V84-I94 HydrophobicContact CG2-CD1 4.19Å |
| 85 | E | 70.1 | Confident | 66.8 | Low | 89 Ų | 89 | 85.6 Ų | 85.6 | 42% | 0.416 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.8 | -33.8 | 179.1 | -73 | 178.6 | -165.3 | 0 | 0 | 113.1 | R81 V83 G89 | R81-E85 WeakPolarHBondContact O-CB 3.39Å; R81-E85 WeakPolarHBondContact O-CG 3.46Å; R81-E85 PolarHBondContact O-N 3.22Å; V83-E85 VanDerWaalsContact C-N 3.32Å; V83-E85 PolarHBondContact O-N 3.09Å; E85-G89 CarbonylContact O-C 3.45Å; E85-G89 WeakPolarHBondContact O-CA 3.34Å; E85-G89 PolarHBondContact O-N 2.92Å |
| 86 | R | 71.6 | Confident | 65.5 | Low | 209 Ų | 209 | 87.5 Ų | 87.5 | 79% | 0.789 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -74.4 | -39.9 | 177.4 | -80.6 | -174.1 | -175.5 | 158.2 | 3 | 113.2 | T82 V83 V84 | T82-R86 WeakPolarHBondContact O-CB 3.44Å; T82-R86 WeakPolarHBondContact O-CG 3.44Å; T82-R86 PolarHBondContact O-N 3.38Å; T82-R86 VanDerWaalsContact O-N 3.08Å; V83-R86 PolarHBondContact O-N 3.37Å; V84-R86 PolarHBondContact O-N 3.29Å |
| 87 | V | 68.4 | Low | 64.7 | Low | 102 Ų | 102 | 90.3 Ų | 90.3 | 62% | 0.618 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -80.2 | -36.9 | -177.8 | -178.4 | 0 | 0 | 0 | 0 | 110.7 | V83 | V83-V87 HydrophobicContact CG1-CG2 4.05Å; V83-V87 WeakPolarHBondContact O-CG2 3.2Å; V83-V87 PolarHBondContact O-N 2.88Å |
| 88 | W | 65.6 | Low | 63.7 | Low | 164 Ų | 164 | 90.6 Ų | 90.6 | 62% | 0.621 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -114.5 | -4.7 | -170.6 | -119.1 | -89.4 | 0 | 0 | 0 | 115.3 | V84 I94 | V84-W88 VanDerWaalsContact O-CB 3.31Å; V84-W88 WeakPolarHBondContact O-CB 3.33Å; V84-W88 PolarHBondContact O-N 3.39Å; W88-I94 HydrophobicContact CB-CD1 4.33Å; W88-I94 HydrophobicContact CB-CG1 4.27Å; W88-I94 HydrophobicContact CD2-CD1 4.43Å; W88-I94 HydrophobicContact CG-CD1 4.24Å; W88-I94 HydrophobicContact CG-CG1 4.16Å |
| 89 | G | 63.6 | Low | 62.8 | Low | 35 Ų | 35 | 91.2 Ų | 91.2 | 36% | 0.361 | 46% | 0.462 | S | S | . | . | trans | 84.4 | 158 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E85 T91 | E85-G89 CarbonylContact O-C 3.45Å; E85-G89 WeakPolarHBondContact O-CA 3.34Å; E85-G89 PolarHBondContact O-N 2.92Å; G89-T91 PolarHBondContact O-N 3.44Å | ||
| 90 | K | 59.2 | Low | 62 | Low | 179 Ų | 179 | 95 Ų | 95 | 78% | 0.778 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -21.4 | -174.8 | -73 | -176.8 | 176.2 | -179.3 | 0 | 115 | ||
| 91 | T | 52 | Low | 61.6 | Low | 132 Ų | 132 | 94.5 Ų | 94.5 | 81% | 0.81 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -12.2 | -164.3 | -30.8 | 0 | 0 | 0 | 0 | 113.7 | G89 | G89-T91 PolarHBondContact O-N 3.44Š|
| 92 | H | 48.3 | Very low | 61.3 | Low | 138 Ų | 138 | 92 Ų | 92 | 64% | 0.639 | 48% | 0.481 | S | S | * | . | trans | -119.4 | 106.9 | -179.8 | -71.8 | 57.2 | 0 | 0 | 0 | 108.9 | I94 | H92-I94 PolarHBondContact O-N 2.71Š| ||
| 93 | R | 53.7 | Low | 61.1 | Low | 205 Ų | 205 | 97.5 Ų | 97.5 | 77% | 0.774 | 50% | 0.503 | S | S | * | . | trans | -54.9 | 126.5 | 154.9 | -71.8 | -166.1 | 176.8 | 179.6 | 1.9 | 105.4 | Q95 | R93-Q95 PolarHBondContact O-N 2.87Š| ||
| 94 | I | 56.6 | Low | 60.6 | Low | 19 Ų | 19 | 99.8 Ų | 99.8 | 10% | 0.097 | 51% | 0.513 | C | S | . | . | trans | -62.2 | 92 | -176.4 | -47.9 | 178.5 | 0 | 0 | 0 | 107.8 | V84 W88 H92 L113 | V84-I94 HydrophobicContact CB-CD1 4.44Å; V84-I94 HydrophobicContact CG1-CD1 3.62Å; V84-I94 HydrophobicContact CG1-CG1 3.94Å; V84-I94 HydrophobicContact CG2-CD1 4.19Å; W88-I94 HydrophobicContact CB-CD1 4.33Å; W88-I94 HydrophobicContact CB-CG1 4.27Å; W88-I94 HydrophobicContact CD2-CD1 4.43Å; W88-I94 HydrophobicContact CG-CD1 4.24Å; W88-I94 HydrophobicContact CG-CG1 4.16Å; H92-I94 PolarHBondContact O-N 2.71Å; I94-L113 HydrophobicContact CB-CB 3.95Å; I94-L113 HydrophobicContact CG2-CB 3.55Å; I94-L113 HydrophobicContact CG2-CD1 3.53Å; I94-L113 HydrophobicContact CG2-CG 4.21Å; I94-L113 WeakPolarHBondContact O-CB 3.48Å; I94-L113 PolarHBondContact O-N 2.94Å | ||
| 95 | Q | 57.8 | Low | 60.2 | Low | 119 Ų | 119 | 101.7 Ų | 101.7 | 56% | 0.556 | 52% | 0.52 | S | S | * | . | B | Isolated β-bridge | trans | -100.5 | 141 | 165.5 | -77.2 | 173.4 | -22.2 | 0 | 0 | 105.8 | R93 C110 | R93-Q95 PolarHBondContact O-N 2.87Å; Q95-C110 HydrophobicContact CB-CB 4.4Å |
| 96 | M | 55.6 | Low | 59.6 | Low | 41 Ų | 41 | 100.7 Ų | 100.7 | 20% | 0.202 | 53% | 0.533 | C | S | . | . | P | Polyproline II helix | trans | -50 | 137.3 | 171.3 | -81.7 | -70.2 | -95.7 | 0 | 0 | 109 | S98 L100 C101 F105 C110 L113 | M96-S98 PolarHBondContact O-N 3.44Å; M96-S98 VanDerWaalsContact O-N 3.09Å; M96-L100 HydrophobicContact CE-CD2 3.91Å; M96-C101 HydrophobicContact CB-CB 3.88Å; M96-F105 HydrophobicContact CE-CE2 3.64Å; M96-F105 HydrophobicContact CE-CZ 4.19Å; M96-C110 HydrophobicContact CB-CB 4.38Å; M96-L113 HydrophobicContact CB-CD1 4.4Å; M96-L113 HydrophobicContact CG-CD1 3.71Å; M96-L113 HydrophobicContact CG-CD2 4.46Å; M96-L113 HydrophobicContact CG-CG 4.28Å; M96-L113 HydrophobicContact SD-CD1 3.82Å; M96-L113 HydrophobicContact SD-CD2 4.4Å |
| 97 | P | 58.7 | Low | 59.1 | Low | 85 Ų | 85 | 94.6 Ų | 94.6 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -49.2 | 123.9 | 176.7 | -24.8 | 31.9 | 0 | 0 | 0 | 109.3 | G99 L100 C101 | P97-G99 PolarHBondContact O-N 3.37Å; P97-G99 VanDerWaalsContact O-N 3.08Å; P97-L100 HydrophobicContact CB-CB 4.17Å; P97-L100 WeakPolarHBondContact O-CA 3.45Å; P97-L100 PolarHBondContact O-N 3.46Å; P97-C101 WeakPolarHBondContact O-CB 3.4Å; P97-C101 PolarHBondContact O-N 3.4Å |
| 98 | S | 56.8 | Low | 58.5 | Low | 98 Ų | 98 | 95.4 Ų | 95.4 | 69% | 0.685 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -54.6 | -35.2 | -169 | 52.8 | 0 | 0 | 0 | 0 | 113 | M96 A102 | M96-S98 PolarHBondContact O-N 3.44Å; M96-S98 VanDerWaalsContact O-N 3.09Å; S98-A102 WeakPolarHBondContact O-CB 3.4Å; S98-A102 PolarHBondContact O-N 3.03Å |
| 99 | G | 58 | Low | 58.3 | Low | 51 Ų | 51 | 94.4 Ų | 94.4 | 53% | 0.526 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.7 | -39.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | P97 H103 | P97-G99 PolarHBondContact O-N 3.37Å; P97-G99 VanDerWaalsContact O-N 3.08Å; G99-H103 WeakPolarHBondContact O-CB 3.35Å; G99-H103 PolarHBondContact O-N 3.23Å |
| 100 | L | 59.9 | Low | 58.2 | Low | 83 Ų | 83 | 93.8 Ų | 93.8 | 44% | 0.435 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.8 | -36.7 | 176.4 | -168.5 | 72.5 | 0 | 0 | 0 | 110.9 | M96 P97 L104 | M96-L100 HydrophobicContact CE-CD2 3.91Å; P97-L100 HydrophobicContact CB-CB 4.17Å; P97-L100 WeakPolarHBondContact O-CA 3.45Å; P97-L100 PolarHBondContact O-N 3.46Å; L100-L104 HydrophobicContact CD1-CD1 3.82Å; L100-L104 HydrophobicContact CD1-CG 4.22Å; L100-L104 HydrophobicContact CD2-CD1 4.22Å; L100-L104 HydrophobicContact CG-CD1 3.66Å; L100-L104 HydrophobicContact CG-CG 4.28Å; L100-L104 WeakPolarHBondContact O-CB 3.43Å; L100-L104 VanDerWaalsContact O-CG 3.3Å; L100-L104 WeakPolarHBondContact O-CG 3.38Å; L100-L104 PolarHBondContact O-N 3.44Å |
| 101 | C | 62.3 | Low | 58.4 | Low | 0 Ų | 0 | 86.2 Ų | 86.2 | 0% | 0 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -67.2 | -46.5 | 177.1 | 178.5 | 0 | 0 | 0 | 0 | 112.1 | M96 P97 F105 G106 C110 | M96-C101 HydrophobicContact CB-CB 3.88Å; P97-C101 WeakPolarHBondContact O-CB 3.4Å; P97-C101 PolarHBondContact O-N 3.4Å; C101-F105 WeakPolarHBondContact O-CA 3.46Å; C101-F105 WeakPolarHBondContact O-CB 3.3Å; C101-F105 PolarHBondContact O-N 3.49Å; C101-G106 PolarHBondContact O-N 2.92Å; C101-C110 HydrophobicContact CB-CB 4.12Å; C101-C110 WeakPolarHBondContact CB-SG 3.29Å; C101-C110 VanDerWaalsContact SG-CA 3.55Å; C101-C110 WeakPolarHBondContact SG-CB 3.26Å; C101-C110 CovalentContact SG-SG 2.05Å; C101-C110 PolarHBondContact SG-SG 3.2Å |
| 102 | A | 62.1 | Low | 59.1 | Low | 60 Ų | 60 | 83.1 Ų | 83.1 | 50% | 0.496 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S98 G106 | S98-A102 WeakPolarHBondContact O-CB 3.4Å; S98-A102 PolarHBondContact O-N 3.03Å; A102-G106 WeakPolarHBondContact O-CA 3.2Å; A102-G106 PolarHBondContact O-N 3.24Å; A102-G106 VanDerWaalsContact O-N 3.12Å |
| 103 | H | 64.9 | Low | 60.2 | Low | 166 Ų | 166 | 78.3 Ų | 78.3 | 77% | 0.769 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -75 | -36.6 | -179.8 | -172.2 | -68.8 | 0 | 0 | 0 | 113.6 | G99 | G99-H103 WeakPolarHBondContact O-CB 3.35Å; G99-H103 PolarHBondContact O-N 3.23Å |
| 104 | L | 59.3 | Low | 61.2 | Low | 98 Ų | 98 | 69.9 Ų | 69.9 | 51% | 0.513 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -87.7 | -32.1 | -179.8 | -69.4 | 176.7 | 0 | 0 | 0 | 113.3 | L100 | L100-L104 HydrophobicContact CD1-CD1 3.82Å; L100-L104 HydrophobicContact CD1-CG 4.22Å; L100-L104 HydrophobicContact CD2-CD1 4.22Å; L100-L104 HydrophobicContact CG-CD1 3.66Å; L100-L104 HydrophobicContact CG-CG 4.28Å; L100-L104 WeakPolarHBondContact O-CB 3.43Å; L100-L104 VanDerWaalsContact O-CG 3.3Å; L100-L104 WeakPolarHBondContact O-CG 3.38Å; L100-L104 PolarHBondContact O-N 3.44Å |
| 105 | F | 60.1 | Low | 62 | Low | 63 Ų | 63 | 70.1 Ų | 70.1 | 28% | 0.276 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -127 | -10.6 | -167.2 | -48.1 | -64.6 | 0 | 0 | 0 | 114.9 | M96 C101 L107 C171 | M96-F105 HydrophobicContact CE-CE2 3.64Å; M96-F105 HydrophobicContact CE-CZ 4.19Å; C101-F105 WeakPolarHBondContact O-CA 3.46Å; C101-F105 WeakPolarHBondContact O-CB 3.3Å; C101-F105 PolarHBondContact O-N 3.49Å; F105-L107 HydrophobicContact CB-CD1 3.98Å; F105-L107 HydrophobicContact CB-CG 4.38Å; F105-L107 PolarHBondContact O-N 3.35Å; F105-L107 VanDerWaalsContact O-N 3.08Å; F105-C171 WeakPolarHBondContact CD1-SG 3.31Å; F105-C171 WeakPolarHBondContact CE1-SG 3.43Å |
| 106 | G | 58 | Low | 63 | Low | 68 Ų | 68 | 65.5 Ų | 65.5 | 70% | 0.701 | 41% | 0.412 | S | S | * | . | trans | 61.1 | 17.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | C101 A102 | C101-G106 PolarHBondContact O-N 2.92Å; A102-G106 WeakPolarHBondContact O-CA 3.2Å; A102-G106 PolarHBondContact O-N 3.24Å; A102-G106 VanDerWaalsContact O-N 3.12Å | ||
| 107 | L | 61 | Low | 64.2 | Low | 80 Ų | 80 | 64.3 Ų | 64.3 | 42% | 0.419 | 41% | 0.41 | S | S | . | . | trans | -97.5 | 138.3 | -177.4 | -72.2 | 161.2 | 0 | 0 | 0 | 110.7 | F105 | F105-L107 HydrophobicContact CB-CD1 3.98Å; F105-L107 HydrophobicContact CB-CG 4.38Å; F105-L107 PolarHBondContact O-N 3.35Å; F105-L107 VanDerWaalsContact O-N 3.08Å | ||
| 108 | S | 55.5 | Low | 65.5 | Low | 119 Ų | 119 | 60.3 Ų | 60.3 | 83% | 0.832 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -79.2 | -27.1 | 174.6 | 44.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 109 | D | 60 | Low | 66.8 | Low | 143 Ų | 143 | 55.6 Ų | 55.6 | 77% | 0.765 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -111.6 | 113.9 | 175.2 | -73.7 | -43.7 | 0 | 0 | 0 | 110.3 | ||
| 110 | C | 62.7 | Low | 68.2 | Low | 22 Ų | 22 | 53.2 Ų | 53.2 | 15% | 0.149 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 141 | -175.7 | -63.3 | 0 | 0 | 0 | 0 | 112.3 | Q95 M96 C101 | Q95-C110 HydrophobicContact CB-CB 4.4Å; M96-C110 HydrophobicContact CB-CB 4.38Å; C101-C110 HydrophobicContact CB-CB 4.12Å; C101-C110 WeakPolarHBondContact CB-SG 3.29Å; C101-C110 VanDerWaalsContact SG-CA 3.55Å; C101-C110 WeakPolarHBondContact SG-CB 3.26Å; C101-C110 CovalentContact SG-SG 2.05Å; C101-C110 PolarHBondContact SG-SG 3.2Å |
| 111 | P | 62.6 | Low | 69.7 | Low | 21 Ų | 21 | 49.8 Ų | 49.8 | 14% | 0.136 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 141.1 | -178.6 | 26.1 | -33.6 | 0 | 0 | 0 | 111.1 | L113 | P111-L113 PolarHBondContact O-N 3.35Š|
| 112 | V | 67.4 | Low | 71 | Confident | 66 Ų | 66 | 50.3 Ų | 50.3 | 40% | 0.4 | 31% | 0.311 | S | S | . | . | B | Isolated β-bridge | trans | -73.6 | 120.7 | 173.1 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | S114 | V112-S114 VanDerWaalsContact C-N 3.3Å; V112-S114 WeakPolarHBondContact CG1-O 3.42Å; V112-S114 PolarHBondContact O-N 3.41Å |
| 113 | L | 70.9 | Confident | 72.5 | Confident | 37 Ų | 37 | 47.6 Ų | 47.6 | 19% | 0.194 | 29% | 0.288 | C | S | . | . | trans | -85.3 | 4.1 | -175.5 | -76.5 | 152.6 | 0 | 0 | 0 | 113.6 | L78 I94 M96 P111 A118 F170 | L78-L113 WeakPolarHBondContact CD2-O 3.34Å; I94-L113 HydrophobicContact CB-CB 3.95Å; I94-L113 HydrophobicContact CG2-CB 3.55Å; I94-L113 HydrophobicContact CG2-CD1 3.53Å; I94-L113 HydrophobicContact CG2-CG 4.21Å; I94-L113 WeakPolarHBondContact O-CB 3.48Å; I94-L113 PolarHBondContact O-N 2.94Å; M96-L113 HydrophobicContact CB-CD1 4.4Å; M96-L113 HydrophobicContact CG-CD1 3.71Å; M96-L113 HydrophobicContact CG-CD2 4.46Å; M96-L113 HydrophobicContact CG-CG 4.28Å; M96-L113 HydrophobicContact SD-CD1 3.82Å; M96-L113 HydrophobicContact SD-CD2 4.4Å; P111-L113 PolarHBondContact O-N 3.35Å; L113-A118 WeakPolarHBondContact O-CB 3.37Å; L113-F170 HydrophobicContact CD2-CD1 4.19Å; L113-F170 HydrophobicContact CD2-CE1 3.97Å; L113-F170 HydrophobicContact CD2-CZ 4.41Å | ||
| 114 | S | 73.9 | Confident | 73.8 | Confident | 29 Ų | 29 | 40 Ų | 40 | 20% | 0.203 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -134.7 | 161.5 | 179.5 | 62.8 | 0 | 0 | 0 | 0 | 112.3 | L78 V112 | L78-S114 WeakPolarHBondContact O-CA 3.41Å; L78-S114 WeakPolarHBondContact O-CB 3.42Å; V112-S114 VanDerWaalsContact C-N 3.3Å; V112-S114 WeakPolarHBondContact CG1-O 3.42Å; V112-S114 PolarHBondContact O-N 3.41Å |
| 115 | G | 75.1 | Confident | 75.5 | Confident | 23 Ų | 23 | 35.4 Ų | 35.4 | 24% | 0.237 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 90 | -169.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L78 G117 A118 V119 | L78-G115 PolarHBondContact O-N 3.36Å; G115-G117 PolarHBondContact O-N 3.36Å; G115-A118 PolarHBondContact O-N 3.35Å; G115-V119 PolarHBondContact O-N 3.39Å |
| 116 | S | 78 | Confident | 77.1 | Confident | 23 Ų | 23 | 32.7 Ų | 32.7 | 16% | 0.161 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.8 | -41.7 | -173.7 | 54.9 | 0 | 0 | 0 | 0 | 113 | A118 V119 Y120 Y449 | S116-A118 VanDerWaalsContact C-N 3.31Å; S116-A118 PolarHBondContact O-N 3.09Å; S116-V119 WeakPolarHBondContact O-CB 3.45Å; S116-V119 PolarHBondContact O-N 3.42Å; S116-V119 VanDerWaalsContact O-N 3.09Å; S116-Y120 WeakPolarHBondContact O-CD2 3.4Å; S116-Y120 PolarHBondContact O-N 3.04Å; S116-Y449 PolarHBondContact OG-O 3.17Å; S116-Y449 VanDerWaalsContact OG-O 3.06Å |
| 117 | G | 81.6 | Confident | 78.8 | Confident | 16 Ų | 16 | 29.4 Ų | 29.4 | 17% | 0.165 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.9 | -38.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G115 Y120 R121 F178 | G115-G117 PolarHBondContact O-N 3.36Å; G117-Y120 PolarHBondContact O-N 2.92Å; G117-R121 WeakPolarHBondContact O-CD 3.44Å; G117-R121 VanDerWaalsContact O-CG 3.3Å; G117-R121 WeakPolarHBondContact O-CG 3.36Å; G117-R121 PolarHBondContact O-N 3.48Å; G117-R121 VanDerWaalsContact O-N 3.14Å; G117-F178 VanDerWaalsContact CA-CZ 3.47Å |
| 118 | A | 84.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.5 | -38.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L78 L113 G115 S116 R121 V122 F170 | L78-A118 HydrophobicContact CB-CB 4.39Å; L78-A118 HydrophobicContact CD1-CB 4.1Å; L113-A118 WeakPolarHBondContact O-CB 3.37Å; G115-A118 PolarHBondContact O-N 3.35Å; S116-A118 VanDerWaalsContact C-N 3.31Å; S116-A118 PolarHBondContact O-N 3.09Å; A118-R121 PolarHBondContact O-N 2.85Å; A118-V122 WeakPolarHBondContact O-CG2 3.28Å; A118-V122 PolarHBondContact O-N 3.05Å; A118-F170 HydrophobicContact CB-CE1 4.18Å; A118-F170 HydrophobicContact CB-CZ 4.21Å |
| 119 | V | 85.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 173.5 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | C75 L79 G115 S116 R121 V122 C123 L443 T444 | C75-V119 HydrophobicContact CB-CG1 4.05Å; C75-V119 HydrophobicContact CB-CG2 4.16Å; C75-V119 WeakPolarHBondContact O-CG2 3.36Å; L79-V119 HydrophobicContact CB-CG2 4.09Å; L79-V119 HydrophobicContact CD1-CG2 4.24Å; G115-V119 PolarHBondContact O-N 3.39Å; S116-V119 WeakPolarHBondContact O-CB 3.45Å; S116-V119 PolarHBondContact O-N 3.42Å; S116-V119 VanDerWaalsContact O-N 3.09Å; V119-R121 VanDerWaalsContact C-N 3.27Å; V119-R121 PolarHBondContact O-N 3.35Å; V119-V122 PolarHBondContact O-N 3.12Å; V119-C123 VanDerWaalsContact O-CB 3.23Å; V119-C123 WeakPolarHBondContact O-CB 3.46Å; V119-C123 PolarHBondContact O-N 2.98Å; V119-C123 PolarHBondContact O-SG 3.43Å; V119-C123 VanDerWaalsContact O-SG 3.41Å; V119-L443 HydrophobicContact CG1-CB 4.07Å; V119-L443 HydrophobicContact CG1-CD1 4.12Å; V119-T444 HydrophobicContact CB-CG2 4.04Å; V119-T444 HydrophobicContact CG1-CG2 3.9Å |
| 120 | Y | 87.5 | Confident | 84.1 | Confident | 1 Ų | 1 | 15.6 Ų | 15.6 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55 | -44.2 | 175.9 | -91.2 | -106.8 | 0 | 0 | 0 | 111.6 | S116 G117 A124 F178 W181 H182 M440 T444 | S116-Y120 WeakPolarHBondContact O-CD2 3.4Å; S116-Y120 PolarHBondContact O-N 3.04Å; G117-Y120 PolarHBondContact O-N 2.92Å; Y120-A124 VanDerWaalsContact O-CB 3.24Å; Y120-A124 WeakPolarHBondContact O-CB 3.41Å; Y120-A124 PolarHBondContact O-N 2.93Å; Y120-F178 HydrophobicContact CD1-CD1 4.19Å; Y120-F178 HydrophobicContact CG-CD1 4.32Å; Y120-F178 HydrophobicContact CG-CE1 4.31Å; Y120-W181 AromaticContact CD1-CD1 3.87Å; Y120-H182 HydrophobicContact CE1-CB 4.12Å; Y120-H182 AromaticContact CZ-ND1 3.86Å; Y120-H182 PolarHBondContact OH-ND1 3.49Å; Y120-M440 HydrophobicContact CD1-CE 4.41Å; Y120-M440 HydrophobicContact CD1-CG 4.32Å; Y120-M440 HydrophobicContact CD1-SD 3.72Å; Y120-M440 HydrophobicContact CD2-CG 4.32Å; Y120-M440 HydrophobicContact CE1-CE 4.16Å; Y120-M440 HydrophobicContact CE1-CG 4.38Å; Y120-M440 HydrophobicContact CE1-SD 3.99Å; Y120-M440 HydrophobicContact CE2-CG 4.43Å; Y120-M440 HydrophobicContact CG-CG 4.23Å; Y120-M440 HydrophobicContact CG-SD 4.04Å; Y120-T444 HydrophobicContact CD2-CG2 3.75Å; Y120-T444 VanDerWaalsContact CE2-CB 3.5Å; Y120-T444 HydrophobicContact CE2-CG2 3.5Å; Y120-T444 VanDerWaalsContact CE2-OG1 3.24Å; Y120-T444 WeakPolarHBondContact CE2-OG1 3.23Å; Y120-T444 PolarHBondContact OH-OG1 3.48Å |
| 121 | R | 89.9 | Confident | 85.7 | Confident | 11 Ų | 11 | 17.7 Ų | 17.7 | 4% | 0.042 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -70.6 | -45 | -177.4 | -66.6 | 164.1 | 178.7 | -92.5 | 9.6 | 112.8 | G117 A118 V119 A124 G125 A169 F170 I172 D174 L177 | G117-R121 WeakPolarHBondContact O-CD 3.44Å; G117-R121 VanDerWaalsContact O-CG 3.3Å; G117-R121 WeakPolarHBondContact O-CG 3.36Å; G117-R121 PolarHBondContact O-N 3.48Å; G117-R121 VanDerWaalsContact O-N 3.14Å; A118-R121 PolarHBondContact O-N 2.85Å; V119-R121 VanDerWaalsContact C-N 3.27Å; V119-R121 PolarHBondContact O-N 3.35Å; R121-A124 WeakPolarHBondContact O-CB 3.46Å; R121-A124 PolarHBondContact O-N 3.05Å; R121-G125 PolarHBondContact O-N 3.3Å; R121-A169 HydrophobicContact CB-CB 4.11Å; R121-A169 WeakPolarHBondContact CG-O 3.3Å; R121-A169 PolarHBondContact NH1-O 3.3Å; R121-A169 VanDerWaalsContact O-CB 3.27Å; R121-A169 WeakPolarHBondContact O-CB 3.47Å; R121-F170 HydrophobicContact CB-CD1 4.39Å; R121-F170 HydrophobicContact CB-CD2 4.26Å; R121-F170 HydrophobicContact CB-CE1 4.23Å; R121-F170 HydrophobicContact CB-CE2 4.09Å; R121-F170 HydrophobicContact CB-CG 4.39Å; R121-F170 HydrophobicContact CB-CZ 4.07Å; R121-F170 PolarHBondContact NH1-O 3.3Å; R121-I172 PolarHBondContact NH1-O 2.85Å; R121-I172 PolarHBondContact NH2-O 3.4Å; R121-D174 IonicContact CZ-OD1 2.96Å; R121-D174 IonicContact NE-OD1 3.82Å; R121-D174 IonicContact NH2-OD1 3.27Å; R121-D174 PolarHBondContact NH2-OD1 3.45Å; R121-L177 HydrophobicContact CG-CD2 3.72Å |
| 122 | V | 91.4 | Very high | 87.3 | Confident | 11 Ų | 11 | 20.6 Ų | 20.6 | 7% | 0.067 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.8 | -43.4 | 175.6 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | C75 L78 A118 V119 A124 G125 T126 F170 | C75-V122 VanDerWaalsContact SG-CG1 3.53Å; L78-V122 HydrophobicContact CD1-CG2 3.92Å; A118-V122 WeakPolarHBondContact O-CG2 3.28Å; A118-V122 PolarHBondContact O-N 3.05Å; V119-V122 PolarHBondContact O-N 3.12Å; V122-A124 VanDerWaalsContact C-N 3.31Å; V122-A124 PolarHBondContact O-N 3.44Å; V122-G125 PolarHBondContact O-N 3.19Å; V122-T126 HydrophobicContact CG1-CG2 4.45Å; V122-T126 VanDerWaalsContact O-CG2 3.3Å; V122-T126 WeakPolarHBondContact O-CG2 3.48Å; V122-T126 PolarHBondContact O-N 3.44Å; V122-T126 PolarHBondContact O-OG1 2.86Å; V122-F170 HydrophobicContact CG2-CE2 3.88Å; V122-F170 HydrophobicContact CG2-CZ 4.05Å |
| 123 | C | 91.7 | Very high | 88.5 | Confident | 3 Ų | 3 | 18.2 Ų | 18.2 | 2% | 0.02 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.7 | -34.9 | 174.7 | -73.7 | 0 | 0 | 0 | 0 | 112.1 | V119 T126 A127 M440 | V119-C123 VanDerWaalsContact O-CB 3.23Å; V119-C123 WeakPolarHBondContact O-CB 3.46Å; V119-C123 PolarHBondContact O-N 2.98Å; V119-C123 PolarHBondContact O-SG 3.43Å; V119-C123 VanDerWaalsContact O-SG 3.41Å; C123-T126 WeakPolarHBondContact CA-OG1 3.26Å; C123-T126 PolarHBondContact O-OG1 3.3Å; C123-A127 WeakPolarHBondContact O-CB 3.36Å; C123-A127 PolarHBondContact O-N 3.19Å; C123-M440 HydrophobicContact CB-CB 3.6Å; C123-M440 HydrophobicContact CB-CG 3.83Å; C123-M440 HydrophobicContact CB-SD 3.95Å |
| 124 | A | 93.1 | Very high | 89.5 | Confident | 6 Ų | 6 | 16.7 Ų | 16.7 | 5% | 0.05 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62 | -47.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y120 R121 V122 T128 A169 W181 | Y120-A124 VanDerWaalsContact O-CB 3.24Å; Y120-A124 WeakPolarHBondContact O-CB 3.41Å; Y120-A124 PolarHBondContact O-N 2.93Å; R121-A124 WeakPolarHBondContact O-CB 3.46Å; R121-A124 PolarHBondContact O-N 3.05Å; V122-A124 VanDerWaalsContact C-N 3.31Å; V122-A124 PolarHBondContact O-N 3.44Å; A124-T128 VanDerWaalsContact O-CB 3.27Å; A124-T128 WeakPolarHBondContact O-CB 3.38Å; A124-T128 PolarHBondContact O-N 3.34Å; A124-T128 PolarHBondContact O-OG1 3.39Å; A124-A169 HydrophobicContact CB-CB 4.25Å; A124-W181 VanDerWaalsContact CA-CZ2 3.49Å; A124-W181 HydrophobicContact CB-CD2 4.32Å; A124-W181 HydrophobicContact CB-CZ2 3.92Å |
| 125 | G | 94.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.6 | -47.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R121 V122 T128 F129 | R121-G125 PolarHBondContact O-N 3.3Å; V122-G125 PolarHBondContact O-N 3.19Å; G125-T128 PolarHBondContact O-N 2.66Å; G125-F129 WeakPolarHBondContact O-CB 3.3Å; G125-F129 PolarHBondContact O-N 2.86Å |
| 126 | T | 93.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 22.3 Ų | 22.3 | 4% | 0.037 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.2 | -40.9 | 179.7 | 59.7 | 0 | 0 | 0 | 0 | 113.2 | A71 V122 C123 F129 H130 L162 S436 | A71-T126 HydrophobicContact CB-CG2 3.51Å; V122-T126 HydrophobicContact CG1-CG2 4.45Å; V122-T126 VanDerWaalsContact O-CG2 3.3Å; V122-T126 WeakPolarHBondContact O-CG2 3.48Å; V122-T126 PolarHBondContact O-N 3.44Å; V122-T126 PolarHBondContact O-OG1 2.86Å; C123-T126 WeakPolarHBondContact CA-OG1 3.26Å; C123-T126 PolarHBondContact O-OG1 3.3Å; T126-F129 WeakPolarHBondContact O-CB 3.04Å; T126-F129 PolarHBondContact O-N 3.33Å; T126-H130 PolarHBondContact O-CD2 3.05Å; T126-H130 PolarHBondContact O-N 2.96Å; T126-H130 VanDerWaalsContact O-N 3.1Å; T126-L162 HydrophobicContact CG2-CD1 3.85Å; T126-S436 PolarHBondContact OG1-OG 2.94Å |
| 127 | A | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.6 | -47.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | C123 F129 H130 L131 W181 F433 L437 | C123-A127 WeakPolarHBondContact O-CB 3.36Å; C123-A127 PolarHBondContact O-N 3.19Å; A127-F129 VanDerWaalsContact C-N 3.34Å; A127-F129 PolarHBondContact O-N 3.05Å; A127-H130 PolarHBondContact O-N 3.4Å; A127-L131 WeakPolarHBondContact O-CB 3.16Å; A127-L131 PolarHBondContact O-N 2.81Å; A127-W181 HydrophobicContact CB-CH2 4.13Å; A127-W181 HydrophobicContact CB-CZ2 3.8Å; A127-F433 HydrophobicContact CB-CD2 3.8Å; A127-F433 HydrophobicContact CB-CE2 4.08Å; A127-F433 WeakPolarHBondContact O-CD2 3.47Å; A127-L437 HydrophobicContact CB-CD2 4.14Å; A127-L437 HydrophobicContact CB-CG 4.49Å |
| 128 | T | 95.8 | Very high | 92.3 | Very high | 48 Ų | 48 | 23.4 Ų | 23.4 | 29% | 0.294 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -60.7 | -43.8 | 177.8 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | A124 G125 H130 L131 L132 L165 | A124-T128 VanDerWaalsContact O-CB 3.27Å; A124-T128 WeakPolarHBondContact O-CB 3.38Å; A124-T128 PolarHBondContact O-N 3.34Å; A124-T128 PolarHBondContact O-OG1 3.39Å; G125-T128 PolarHBondContact O-N 2.66Å; T128-H130 PolarHBondContact O-N 2.88Å; T128-L131 PolarHBondContact O-N 3.25Å; T128-L132 HydrophobicContact CG2-CD1 3.96Å; T128-L132 HydrophobicContact CG2-CG 4.24Å; T128-L132 WeakPolarHBondContact O-CB 3.44Å; T128-L132 VanDerWaalsContact O-CG 3.28Å; T128-L132 WeakPolarHBondContact O-CG 3.49Å; T128-L132 PolarHBondContact O-N 3.5Å; T128-L165 HydrophobicContact CG2-CD1 4.43Å; T128-L165 HydrophobicContact CG2-CD2 4.19Å |
| 129 | F | 96.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -54.4 | -50.4 | 175.3 | 171.1 | -101.9 | 0 | 0 | 0 | 111.9 | Y64 G125 T126 A127 Q133 K158 F161 L162 L165 | Y64-F129 HydrophobicContact CD1-CE1 4.35Å; Y64-F129 HydrophobicContact CE1-CE1 4.17Å; Y64-F129 HydrophobicContact CE1-CZ 4.14Å; G125-F129 WeakPolarHBondContact O-CB 3.3Å; G125-F129 PolarHBondContact O-N 2.86Å; T126-F129 WeakPolarHBondContact O-CB 3.04Å; T126-F129 PolarHBondContact O-N 3.33Å; A127-F129 VanDerWaalsContact C-N 3.34Å; A127-F129 PolarHBondContact O-N 3.05Å; F129-Q133 WeakPolarHBondContact O-CG 3.32Å; F129-Q133 PolarHBondContact O-N 2.71Å; F129-Q133 VanDerWaalsContact O-N 3.14Å; F129-K158 HydrophobicContact CE2-CB 4.25Å; F129-K158 HydrophobicContact CZ-CB 4.21Å; F129-F161 AromaticContact CD2-CD1 3.65Å; F129-F161 HydrophobicContact CD2-CD1 3.65Å; F129-F161 HydrophobicContact CD2-CE1 4.06Å; F129-F161 AromaticContact CE2-CD1 3.95Å; F129-F161 HydrophobicContact CE2-CD1 3.95Å; F129-L162 HydrophobicContact CB-CD1 3.7Å; F129-L162 HydrophobicContact CD1-CD1 4.18Å; F129-L162 HydrophobicContact CD2-CB 3.95Å; F129-L162 HydrophobicContact CD2-CD1 4.33Å; F129-L162 HydrophobicContact CE2-CB 4.09Å; F129-L162 HydrophobicContact CG-CB 4.29Å; F129-L162 HydrophobicContact CG-CD1 3.84Å; F129-L165 HydrophobicContact CB-CD1 3.71Å; F129-L165 HydrophobicContact CD2-CD1 4.38Å |
| 130 | H | 94.5 | Very high | 92.1 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.9 | -37.2 | 179.8 | -73.6 | -53.7 | 0 | 0 | 0 | 112.6 | H68 T126 A127 T128 Q133 A134 H429 F432 F433 | H68-H130 AromaticContact ND1-NE2 3.92Å; T126-H130 PolarHBondContact O-CD2 3.05Å; T126-H130 PolarHBondContact O-N 2.96Å; T126-H130 VanDerWaalsContact O-N 3.1Å; A127-H130 PolarHBondContact O-N 3.4Å; T128-H130 PolarHBondContact O-N 2.88Å; H130-Q133 PolarHBondContact O-N 3.38Å; H130-A134 WeakPolarHBondContact O-CB 3.41Å; H130-A134 PolarHBondContact O-N 2.99Å; H130-H429 AromaticContact ND1-CE1 3.98Å; H130-H429 AromaticContact ND1-ND1 3.29Å; H130-H429 PolarHBondContact ND1-ND1 3.02Å; H130-H429 WeakPolarHBondContact O-CB 3.05Å; H130-F432 HydrophobicContact CB-CB 4.13Å; H130-F433 HydrophobicContact CB-CB 4.1Å |
| 131 | L | 95.8 | Very high | 91.6 | Very high | 66 Ų | 66 | 38.6 Ų | 38.6 | 35% | 0.346 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.7 | -44.4 | 176.2 | -175.6 | 61.3 | 0 | 0 | 0 | 111.7 | A127 T128 Q133 A134 V135 F433 | A127-L131 WeakPolarHBondContact O-CB 3.16Å; A127-L131 PolarHBondContact O-N 2.81Å; T128-L131 PolarHBondContact O-N 3.25Å; L131-Q133 VanDerWaalsContact C-N 3.33Å; L131-Q133 PolarHBondContact O-N 2.77Å; L131-A134 WeakPolarHBondContact O-CB 3.22Å; L131-A134 PolarHBondContact O-N 3.23Å; L131-A134 VanDerWaalsContact O-N 3.16Å; L131-V135 WeakPolarHBondContact O-CG2 3.43Å; L131-V135 PolarHBondContact O-N 2.64Å; L131-F433 HydrophobicContact CB-CD2 3.84Å; L131-F433 HydrophobicContact CB-CE2 4.24Å; L131-F433 HydrophobicContact CB-CG 4.23Å; L131-F433 HydrophobicContact CD1-CD1 4.38Å; L131-F433 HydrophobicContact CD1-CE1 4.47Å; L131-F433 HydrophobicContact CD1-CG 4.38Å; L131-F433 HydrophobicContact CD2-CD2 4.49Å; L131-F433 HydrophobicContact CD2-CE2 4.07Å; L131-F433 HydrophobicContact CD2-CZ 4.33Å |
| 132 | L | 96.6 | Very high | 91 | Very high | 82 Ų | 82 | 40.4 Ų | 40.4 | 43% | 0.429 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 176.8 | -71.4 | 175.2 | 0 | 0 | 0 | 111.7 | T128 V135 L136 F161 L165 | T128-L132 HydrophobicContact CG2-CD1 3.96Å; T128-L132 HydrophobicContact CG2-CG 4.24Å; T128-L132 WeakPolarHBondContact O-CB 3.44Å; T128-L132 VanDerWaalsContact O-CG 3.28Å; T128-L132 WeakPolarHBondContact O-CG 3.49Å; T128-L132 PolarHBondContact O-N 3.5Å; L132-V135 PolarHBondContact O-N 3.18Å; L132-L136 WeakPolarHBondContact O-CB 3.48Å; L132-L136 PolarHBondContact O-N 2.79Å; L132-F161 HydrophobicContact CD1-CE1 4.19Å; L132-F161 HydrophobicContact CD1-CZ 3.78Å; L132-L165 HydrophobicContact CD1-CD1 4.37Å |
| 133 | Q | 93.6 | Very high | 90.2 | Very high | 16 Ų | 16 | 41.7 Ų | 41.7 | 8% | 0.075 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.6 | -40.8 | 173.3 | -71.6 | -153 | 63.3 | 0 | 0 | 112.5 | Y64 F129 H130 L131 V135 L136 L137 H429 | Y64-Q133 VanDerWaalsContact CE1-NE2 3.32Å; Y64-Q133 PolarHBondContact OH-NE2 3.43Å; Y64-Q133 PolarHBondContact OH-OE1 3.44Å; F129-Q133 WeakPolarHBondContact O-CG 3.32Å; F129-Q133 PolarHBondContact O-N 2.71Å; F129-Q133 VanDerWaalsContact O-N 3.14Å; H130-Q133 PolarHBondContact O-N 3.38Å; L131-Q133 VanDerWaalsContact C-N 3.33Å; L131-Q133 PolarHBondContact O-N 2.77Å; Q133-V135 VanDerWaalsContact C-N 3.33Å; Q133-V135 PolarHBondContact O-N 2.99Å; Q133-L136 PolarHBondContact O-N 3.36Å; Q133-L137 HydrophobicContact CB-CD1 4.44Å; Q133-L137 WeakPolarHBondContact O-CB 3.38Å; Q133-L137 VanDerWaalsContact O-CD1 3.29Å; Q133-L137 WeakPolarHBondContact O-CD1 3.49Å; Q133-L137 WeakPolarHBondContact O-CG 3.46Å; Q133-L137 PolarHBondContact O-N 2.91Å; Q133-L137 VanDerWaalsContact O-N 3.09Å; Q133-H429 HydrophobicContact CB-CB 4.25Å; Q133-H429 PolarHBondContact OE1-NE2 3.12Å |
| 134 | A | 91.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.033 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.6 | -47 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | H130 L131 L137 V138 S426 H429 F430 | H130-A134 WeakPolarHBondContact O-CB 3.41Å; H130-A134 PolarHBondContact O-N 2.99Å; L131-A134 WeakPolarHBondContact O-CB 3.22Å; L131-A134 PolarHBondContact O-N 3.23Å; L131-A134 VanDerWaalsContact O-N 3.16Å; A134-L137 PolarHBondContact O-N 3.31Å; A134-V138 WeakPolarHBondContact O-CG2 3.32Å; A134-V138 PolarHBondContact O-N 3.23Å; A134-S426 WeakPolarHBondContact CB-O 3.43Å; A134-S426 VanDerWaalsContact O-CB 3.3Å; A134-S426 WeakPolarHBondContact O-CB 3.47Å; A134-S426 PolarHBondContact O-OG 2.92Å; A134-H429 HydrophobicContact CB-CB 3.79Å; A134-F430 HydrophobicContact CB-CB 4.27Å |
| 135 | V | 94.8 | Very high | 89.2 | Confident | 95 Ų | 95 | 46.6 Ų | 46.6 | 58% | 0.576 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.9 | -46 | 178.1 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | L131 L132 Q133 L137 V138 | L131-V135 WeakPolarHBondContact O-CG2 3.43Å; L131-V135 PolarHBondContact O-N 2.64Å; L132-V135 PolarHBondContact O-N 3.18Å; Q133-V135 VanDerWaalsContact C-N 3.33Å; Q133-V135 PolarHBondContact O-N 2.99Å; V135-L137 PolarHBondContact O-N 3.35Å; V135-V138 WeakPolarHBondContact O-CB 3.28Å; V135-V138 WeakPolarHBondContact O-CG2 3.43Å; V135-V138 PolarHBondContact O-N 3.34Å |
| 136 | L | 93.1 | Very high | 88.8 | Confident | 76 Ų | 76 | 51.4 Ų | 51.4 | 40% | 0.398 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.5 | -34.2 | 179.7 | -176.8 | 63.1 | 0 | 0 | 0 | 112.3 | L132 Q133 R147 L150 | L132-L136 WeakPolarHBondContact O-CB 3.48Å; L132-L136 PolarHBondContact O-N 2.79Å; Q133-L136 PolarHBondContact O-N 3.36Å; L136-R147 VanDerWaalsContact O-CD 3.31Å; L136-R147 WeakPolarHBondContact O-CD 3.39Å; L136-R147 PolarHBondContact O-NH1 3.41Å; L136-L150 HydrophobicContact CD2-CD2 3.45Å; L136-L150 VanDerWaalsContact CD2-CD2 3.45Å |
| 137 | L | 89.8 | Confident | 88.5 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 8.5 | -172.7 | -61.5 | 164.8 | 0 | 0 | 0 | 113.5 | Q133 A134 V135 L140 R147 H151 Y425 | Q133-L137 HydrophobicContact CB-CD1 4.44Å; Q133-L137 WeakPolarHBondContact O-CB 3.38Å; Q133-L137 VanDerWaalsContact O-CD1 3.29Å; Q133-L137 WeakPolarHBondContact O-CD1 3.49Å; Q133-L137 WeakPolarHBondContact O-CG 3.46Å; Q133-L137 PolarHBondContact O-N 2.91Å; Q133-L137 VanDerWaalsContact O-N 3.09Å; A134-L137 PolarHBondContact O-N 3.31Å; V135-L137 PolarHBondContact O-N 3.35Å; L137-L140 HydrophobicContact CD2-CD2 3.97Å; L137-R147 HydrophobicContact CD2-CB 4.24Å; L137-R147 WeakPolarHBondContact CD2-O 3.29Å; L137-H151 HydrophobicContact CD1-CB 4.16Å; L137-H151 HydrophobicContact CD2-CB 4.08Å; L137-Y425 HydrophobicContact CD2-CD2 4.36Å |
| 138 | V | 89.5 | Confident | 88 | Confident | 59 Ų | 59 | 55.8 Ų | 55.8 | 36% | 0.358 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 136.8 | 174.5 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | A134 V135 L140 R147 S426 | A134-V138 WeakPolarHBondContact O-CG2 3.32Å; A134-V138 PolarHBondContact O-N 3.23Å; V135-V138 WeakPolarHBondContact O-CB 3.28Å; V135-V138 WeakPolarHBondContact O-CG2 3.43Å; V135-V138 PolarHBondContact O-N 3.34Å; V138-L140 VanDerWaalsContact C-N 3.31Å; V138-L140 PolarHBondContact O-N 2.93Å; V138-R147 PolarHBondContact O-NH1 2.89Å; V138-S426 WeakPolarHBondContact CG2-OG 3.28Å |
| 139 | H | 83.7 | Confident | 87.5 | Confident | 148 Ų | 148 | 58 Ų | 58 | 69% | 0.685 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 37.5 | 180 | -60.6 | 112.6 | 0 | 0 | 0 | 114.8 | H141 | H139-H141 PolarHBondContact O-CE1 3.44Å; H139-H141 PolarHBondContact O-N 2.89Å; H139-H141 PolarHBondContact O-ND1 3.33Å |
| 140 | L | 82.5 | Confident | 87 | Confident | 16 Ų | 16 | 61 Ų | 61 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | trans | -79 | 116.2 | 174.9 | -156.5 | 71.7 | 0 | 0 | 0 | 111.4 | L137 V138 S145 R147 A148 L421 Y425 | L137-L140 HydrophobicContact CD2-CD2 3.97Å; V138-L140 VanDerWaalsContact C-N 3.31Å; V138-L140 PolarHBondContact O-N 2.93Å; L140-S145 WeakPolarHBondContact CD1-OG 3.5Å; L140-R147 HydrophobicContact CD1-CB 3.79Å; L140-A148 HydrophobicContact CD2-CB 3.76Å; L140-L421 HydrophobicContact CB-CD2 4.32Å; L140-L421 HydrophobicContact CD2-CD2 4.09Å; L140-L421 HydrophobicContact CG-CD2 4.37Å; L140-Y425 HydrophobicContact CD2-CD2 3.61Å; L140-Y425 HydrophobicContact CD2-CE2 3.99Å | ||
| 141 | H | 76.9 | Confident | 86.7 | Confident | 156 Ų | 156 | 60.9 Ų | 60.9 | 72% | 0.722 | 33% | 0.325 | S | S | * | . | trans | -109.2 | -22.7 | -177.6 | -66.8 | 82.5 | 0 | 0 | 0 | 113.8 | H139 L421 | H139-H141 PolarHBondContact O-CE1 3.44Å; H139-H141 PolarHBondContact O-N 2.89Å; H139-H141 PolarHBondContact O-ND1 3.33Å; H141-L421 VanDerWaalsContact O-CD1 3.22Å; H141-L421 WeakPolarHBondContact O-CD1 3.37Å | ||
| 142 | S | 77.6 | Confident | 86.1 | Confident | 50 Ų | 50 | 59.1 Ų | 59.1 | 35% | 0.35 | 32% | 0.316 | S | S | . | . | trans | -115.9 | 129.3 | -176.6 | 174 | 0 | 0 | 0 | 0 | 112.2 | T144 S145 | S142-T144 VanDerWaalsContact C-N 3.25Å; S142-T144 PolarHBondContact O-N 2.98Å; S142-T144 PolarHBondContact OG-N 3.14Å; S142-T144 PolarHBondContact OG-OG1 3.36Å; S142-S145 PolarHBondContact O-N 3.46Å; S142-S145 PolarHBondContact O-OG 2.9Å | ||
| 143 | P | 74.3 | Confident | 85.5 | Confident | 37 Ų | 37 | 57 Ų | 57 | 24% | 0.24 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -12.4 | 178.7 | 30 | -32 | 0 | 0 | 0 | 113.5 | A148 Q419 L421 | P143-A148 VanDerWaalsContact O-CB 3.29Å; P143-A148 WeakPolarHBondContact O-CB 3.5Å; P143-Q419 VanDerWaalsContact CD-O 3.26Å; P143-Q419 WeakPolarHBondContact CD-O 3.27Å; P143-Q419 HydrophobicContact CG-CB 3.77Å; P143-Q419 WeakPolarHBondContact CG-O 3.46Å; P143-L421 HydrophobicContact CB-CD1 4.48Å |
| 144 | T | 77 | Confident | 85.3 | Confident | 89 Ų | 89 | 59 Ų | 59 | 55% | 0.546 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -9.5 | 179.1 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | S142 Q149 | S142-T144 VanDerWaalsContact C-N 3.25Å; S142-T144 PolarHBondContact O-N 2.98Å; S142-T144 PolarHBondContact OG-N 3.14Å; S142-T144 PolarHBondContact OG-OG1 3.36Å; T144-Q149 PolarHBondContact O-NE2 3.44Å; T144-Q149 VanDerWaalsContact O-NE2 3.12Å |
| 145 | S | 85.8 | Confident | 85.1 | Confident | 23 Ų | 23 | 60.4 Ų | 60.4 | 16% | 0.161 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -61 | 150.1 | -179 | 64.3 | 0 | 0 | 0 | 0 | 112.6 | L140 S142 R147 A148 Q149 | L140-S145 WeakPolarHBondContact CD1-OG 3.5Å; S142-S145 PolarHBondContact O-N 3.46Å; S142-S145 PolarHBondContact O-OG 2.9Å; S145-R147 PolarHBondContact O-N 3.08Å; S145-R147 VanDerWaalsContact O-N 3.16Å; S145-A148 WeakPolarHBondContact O-CA 3.05Å; S145-A148 WeakPolarHBondContact O-CB 3.37Å; S145-A148 PolarHBondContact O-N 3.05Å; S145-A148 WeakPolarHBondContact OG-CB 3.4Å; S145-A148 PolarHBondContact OG-N 3.28Å; S145-Q149 PolarHBondContact O-N 3.35Å |
| 146 | P | 85.8 | Confident | 84.8 | Confident | 103 Ų | 103 | 59.3 Ų | 59.3 | 67% | 0.669 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59.7 | -31 | -179.8 | 23.1 | -34 | 0 | 0 | 0 | 112.5 | Q149 L150 | P146-Q149 PolarHBondContact O-N 3.31Å; P146-L150 PolarHBondContact O-N 3.29Å |
| 147 | R | 89.1 | Confident | 84.7 | Confident | 98 Ų | 98 | 60.7 Ų | 60.7 | 37% | 0.37 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 173.2 | -65.5 | -170.9 | -72.5 | 156.9 | -4.4 | 112.2 | L136 L137 V138 L140 S145 L150 H151 | L136-R147 VanDerWaalsContact O-CD 3.31Å; L136-R147 WeakPolarHBondContact O-CD 3.39Å; L136-R147 PolarHBondContact O-NH1 3.41Å; L137-R147 HydrophobicContact CD2-CB 4.24Å; L137-R147 WeakPolarHBondContact CD2-O 3.29Å; V138-R147 PolarHBondContact O-NH1 2.89Å; L140-R147 HydrophobicContact CD1-CB 3.79Å; S145-R147 PolarHBondContact O-N 3.08Å; S145-R147 VanDerWaalsContact O-N 3.16Å; R147-L150 PolarHBondContact O-N 3.31Å; R147-H151 PolarHBondContact O-N 3.08Å |
| 148 | A | 83.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.2 | -34.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L140 P143 S145 H151 N152 Y425 | L140-A148 HydrophobicContact CD2-CB 3.76Å; P143-A148 VanDerWaalsContact O-CB 3.29Å; P143-A148 WeakPolarHBondContact O-CB 3.5Å; S145-A148 WeakPolarHBondContact O-CA 3.05Å; S145-A148 WeakPolarHBondContact O-CB 3.37Å; S145-A148 PolarHBondContact O-N 3.05Å; S145-A148 WeakPolarHBondContact OG-CB 3.4Å; S145-A148 PolarHBondContact OG-N 3.28Å; A148-H151 WeakPolarHBondContact O-CB 3.41Å; A148-H151 PolarHBondContact O-N 3.47Å; A148-N152 PolarHBondContact O-N 3.16Å; A148-N152 VanDerWaalsContact O-N 3.08Å; A148-N152 PolarHBondContact O-ND2 3.49Å; A148-Y425 HydrophobicContact CB-CE2 4.24Å |
| 149 | Q | 84.5 | Confident | 85 | Confident | 94 Ų | 94 | 61.5 Ų | 61.5 | 44% | 0.439 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 172.9 | -65.5 | -180 | 27.2 | 0 | 0 | 111.2 | T144 S145 P146 H151 N152 S153 | T144-Q149 PolarHBondContact O-NE2 3.44Å; T144-Q149 VanDerWaalsContact O-NE2 3.12Å; S145-Q149 PolarHBondContact O-N 3.35Å; P146-Q149 PolarHBondContact O-N 3.31Å; Q149-H151 VanDerWaalsContact C-N 3.28Å; Q149-H151 PolarHBondContact O-N 2.83Å; Q149-N152 PolarHBondContact O-N 2.84Å; Q149-S153 VanDerWaalsContact O-CB 3.28Å; Q149-S153 WeakPolarHBondContact O-CB 3.25Å; Q149-S153 PolarHBondContact O-N 3.15Å; Q149-S153 PolarHBondContact O-OG 3.18Å |
| 150 | L | 87 | Confident | 85.5 | Confident | 64 Ų | 64 | 59.2 Ų | 59.2 | 34% | 0.335 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 173.6 | -174.8 | 69.6 | 0 | 0 | 0 | 110.9 | L136 P146 R147 N152 F154 K158 | L136-L150 HydrophobicContact CD2-CD2 3.45Å; L136-L150 VanDerWaalsContact CD2-CD2 3.45Å; P146-L150 PolarHBondContact O-N 3.29Å; R147-L150 PolarHBondContact O-N 3.31Å; L150-N152 PolarHBondContact O-N 3.46Å; L150-F154 HydrophobicContact CD1-CD2 4.32Å; L150-K158 WeakPolarHBondContact O-CE 3.49Å; L150-K158 PolarHBondContact O-NZ 3.32Å |
| 151 | H | 87 | Confident | 86.1 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 176.7 | -179.2 | 72.3 | 0 | 0 | 0 | 113.6 | Y64 L137 R147 A148 Q149 K158 Y423 Y425 H429 | Y64-H151 AromaticContact CE2-CE1 3.5Å; Y64-H151 VanDerWaalsContact CE2-CE1 3.5Å; Y64-H151 WeakPolarHBondContact CE2-CE1 3.44Å; Y64-H151 AromaticContact CE2-ND1 3.76Å; Y64-H151 PolarHBondContact OH-O 2.84Å; L137-H151 HydrophobicContact CD1-CB 4.16Å; L137-H151 HydrophobicContact CD2-CB 4.08Å; R147-H151 PolarHBondContact O-N 3.08Å; A148-H151 WeakPolarHBondContact O-CB 3.41Å; A148-H151 PolarHBondContact O-N 3.47Å; Q149-H151 VanDerWaalsContact C-N 3.28Å; Q149-H151 PolarHBondContact O-N 2.83Å; H151-K158 VanDerWaalsContact C-NZ 3.3Å; H151-K158 PolarHBondContact O-NZ 2.94Å; H151-Y423 AromaticContact NE2-CZ 3.79Å; H151-Y423 PolarHBondContact NE2-OH 3.3Å; H151-Y425 HydrophobicContact CB-CD2 3.84Å; H151-Y425 HydrophobicContact CB-CE2 4.1Å; H151-Y425 AromaticContact CD2-CD1 3.92Å; H151-Y425 AromaticContact CD2-CD2 3.32Å; H151-Y425 WeakPolarHBondContact CD2-CD2 3.4Å; H151-Y425 AromaticContact CD2-CE1 3.96Å; H151-Y425 AromaticContact CD2-CE2 3.37Å; H151-Y425 WeakPolarHBondContact CD2-CE2 3.5Å; H151-Y425 AromaticContact CD2-CG 3.59Å; H151-Y425 AromaticContact CD2-CZ 3.68Å; H151-Y425 AromaticContact CG-CD2 3.5Å; H151-Y425 AromaticContact CG-CE2 3.88Å; H151-Y425 AromaticContact CG-CG 3.92Å; H151-Y425 AromaticContact NE2-CD1 3.73Å; H151-Y425 AromaticContact NE2-CD2 3.89Å; H151-Y425 AromaticContact NE2-CG 3.65Å; H151-H429 AromaticContact CE1-CD2 3.8Å; H151-H429 AromaticContact CE1-NE2 3.15Å; H151-H429 PolarHBondContact CE1-NE2 3.26Å; H151-H429 AromaticContact ND1-CD2 3.82Å; H151-H429 AromaticContact ND1-NE2 3.18Å; H151-H429 PolarHBondContact ND1-NE2 2.85Å; H151-H429 VanDerWaalsContact ND1-NE2 3.18Å |
| 152 | N | 84.8 | Confident | 86.9 | Confident | 28 Ų | 28 | 56.1 Ų | 56.1 | 15% | 0.15 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -92.4 | -10.7 | -173 | -66.5 | -58.4 | 0 | 0 | 0 | 114.6 | S60 A148 Q149 L150 Y425 | S60-N152 WeakPolarHBondContact OG-CA 3.29Å; S60-N152 PolarHBondContact OG-O 3.13Å; S60-N152 PolarHBondContact OG-OD1 3.12Å; A148-N152 PolarHBondContact O-N 3.16Å; A148-N152 VanDerWaalsContact O-N 3.08Å; A148-N152 PolarHBondContact O-ND2 3.49Å; Q149-N152 PolarHBondContact O-N 2.84Å; L150-N152 PolarHBondContact O-N 3.46Å; N152-Y425 PolarHBondContact ND2-OH 3.39Å |
| 153 | S | 84.3 | Confident | 87.7 | Confident | 37 Ų | 37 | 58.5 Ų | 58.5 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -132 | -164.8 | -171.9 | -54 | 0 | 0 | 0 | 0 | 112.7 | Q149 W155 K158 | Q149-S153 VanDerWaalsContact O-CB 3.28Å; Q149-S153 WeakPolarHBondContact O-CB 3.25Å; Q149-S153 PolarHBondContact O-N 3.15Å; Q149-S153 PolarHBondContact O-OG 3.18Å; S153-W155 PolarHBondContact O-N 3.32Å; S153-K158 VanDerWaalsContact O-CE 3.23Å; S153-K158 WeakPolarHBondContact O-CE 3.38Å; S153-K158 PolarHBondContact O-NZ 3.19Å |
| 154 | F | 87.6 | Confident | 88.6 | Confident | 59 Ų | 59 | 58.6 Ų | 58.6 | 26% | 0.259 | 31% | 0.313 | S | S | . | . | trans | 52.7 | 46.1 | 173.8 | -56.7 | -79.6 | 0 | 0 | 0 | 115.7 | P40 L150 L156 L157 K158 | P40-F154 HydrophobicContact CB-CE1 4.43Å; P40-F154 HydrophobicContact CB-CE2 4.36Å; P40-F154 HydrophobicContact CB-CZ 3.75Å; P40-F154 HydrophobicContact CG-CE1 4.5Å; P40-F154 HydrophobicContact CG-CZ 4.12Å; L150-F154 HydrophobicContact CD1-CD2 4.32Å; F154-L156 PolarHBondContact O-N 3.3Å; F154-L157 HydrophobicContact CB-CB 4.3Å; F154-L157 PolarHBondContact O-N 3.19Å; F154-K158 WeakPolarHBondContact O-CG 3.33Å; F154-K158 PolarHBondContact O-N 3.44Å; F154-K158 VanDerWaalsContact O-N 3.1Å | ||
| 155 | W | 87.5 | Confident | 89.4 | Confident | 34 Ų | 34 | 55.7 Ų | 55.7 | 13% | 0.129 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.8 | -42.6 | -175.3 | -65.9 | 105 | 0 | 0 | 0 | 114.5 | S60 F63 Y64 S153 L157 K158 L159 | S60-W155 VanDerWaalsContact CA-CZ2 3.48Å; S60-W155 WeakPolarHBondContact O-CH2 3.32Å; F63-W155 HydrophobicContact CB-CD2 4.15Å; F63-W155 HydrophobicContact CB-CE3 3.69Å; F63-W155 HydrophobicContact CB-CH2 3.47Å; F63-W155 VanDerWaalsContact CB-CH2 3.47Å; F63-W155 HydrophobicContact CB-CZ2 3.93Å; F63-W155 HydrophobicContact CB-CZ3 3.32Å; F63-W155 HydrophobicContact CD2-CD2 4.18Å; F63-W155 AromaticContact CD2-CE2 3.76Å; F63-W155 HydrophobicContact CD2-CH2 4.31Å; F63-W155 AromaticContact CD2-CZ2 3.87Å; F63-W155 HydrophobicContact CD2-CZ2 3.87Å; F63-W155 HydrophobicContact CG-CD2 4.16Å; F63-W155 HydrophobicContact CG-CE3 4.16Å; F63-W155 HydrophobicContact CG-CH2 4.27Å; F63-W155 HydrophobicContact CG-CZ2 4.25Å; F63-W155 HydrophobicContact CG-CZ3 4.21Å; Y64-W155 HydrophobicContact CD1-CZ3 4.19Å; Y64-W155 HydrophobicContact CD2-CH2 4.04Å; Y64-W155 HydrophobicContact CD2-CZ3 4.33Å; Y64-W155 HydrophobicContact CE1-CH2 4.42Å; Y64-W155 AromaticContact CE1-CZ3 3.93Å; Y64-W155 HydrophobicContact CE1-CZ3 3.93Å; Y64-W155 AromaticContact CE2-CH2 3.79Å; Y64-W155 HydrophobicContact CE2-CH2 3.79Å; Y64-W155 HydrophobicContact CE2-CZ3 4.14Å; Y64-W155 HydrophobicContact CG-CH2 4.5Å; Y64-W155 HydrophobicContact CG-CZ3 4.37Å; Y64-W155 AromaticContact CZ-CH2 3.99Å; Y64-W155 AromaticContact CZ-CZ3 3.93Å; S153-W155 PolarHBondContact O-N 3.32Å; W155-L157 VanDerWaalsContact C-N 3.34Å; W155-L157 PolarHBondContact O-N 3.3Å; W155-K158 HydrophobicContact CE3-CD 4.17Å; W155-K158 HydrophobicContact CZ3-CD 4.3Å; W155-K158 PolarHBondContact O-N 3.31Å; W155-L159 PolarHBondContact O-N 3.38Å |
| 156 | L | 89.4 | Confident | 89.7 | Confident | 72 Ų | 72 | 55.4 Ų | 55.4 | 38% | 0.377 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 178.2 | -178.8 | 64.6 | 0 | 0 | 0 | 111.3 | C37 C38 F154 K158 L159 L160 | C37-L156 WeakPolarHBondContact O-CB 3.36Å; C38-L156 WeakPolarHBondContact SG-CD2 3.36Å; F154-L156 PolarHBondContact O-N 3.3Å; L156-K158 VanDerWaalsContact C-N 3.32Å; L156-K158 PolarHBondContact O-N 3.48Å; L156-L159 PolarHBondContact O-N 2.89Å; L156-L160 HydrophobicContact CD1-CG 4.43Å; L156-L160 HydrophobicContact CG-CD1 4.2Å; L156-L160 HydrophobicContact CG-CG 4.47Å; L156-L160 WeakPolarHBondContact O-CG 3.47Å; L156-L160 PolarHBondContact O-N 3.48Å |
| 157 | L | 90.3 | Very high | 89.8 | Confident | 104 Ų | 104 | 52.8 Ų | 52.8 | 55% | 0.545 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 177.8 | -178.5 | 63.3 | 0 | 0 | 0 | 111.3 | F154 W155 L160 F161 | F154-L157 HydrophobicContact CB-CB 4.3Å; F154-L157 PolarHBondContact O-N 3.19Å; W155-L157 VanDerWaalsContact C-N 3.34Å; W155-L157 PolarHBondContact O-N 3.3Å; L157-L160 PolarHBondContact O-N 3.05Å; L157-F161 VanDerWaalsContact O-CB 3.28Å; L157-F161 WeakPolarHBondContact O-CB 3.1Å; L157-F161 PolarHBondContact O-N 3.5Å |
| 158 | K | 92.5 | Very high | 89.8 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 4% | 0.043 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 174.9 | -71.9 | 170.7 | -178 | 160.7 | 0 | 112.6 | Y64 F129 L150 H151 S153 F154 W155 L156 F161 L162 | Y64-K158 HydrophobicContact CE1-CD 4.24Å; Y64-K158 WeakPolarHBondContact OH-CD 3.38Å; Y64-K158 WeakPolarHBondContact OH-CE 3.42Å; Y64-K158 PolarHBondContact OH-NZ 2.98Å; F129-K158 HydrophobicContact CE2-CB 4.25Å; F129-K158 HydrophobicContact CZ-CB 4.21Å; L150-K158 WeakPolarHBondContact O-CE 3.49Å; L150-K158 PolarHBondContact O-NZ 3.32Å; H151-K158 VanDerWaalsContact C-NZ 3.3Å; H151-K158 PolarHBondContact O-NZ 2.94Å; S153-K158 VanDerWaalsContact O-CE 3.23Å; S153-K158 WeakPolarHBondContact O-CE 3.38Å; S153-K158 PolarHBondContact O-NZ 3.19Å; F154-K158 WeakPolarHBondContact O-CG 3.33Å; F154-K158 PolarHBondContact O-N 3.44Å; F154-K158 VanDerWaalsContact O-N 3.1Å; W155-K158 HydrophobicContact CE3-CD 4.17Å; W155-K158 HydrophobicContact CZ3-CD 4.3Å; W155-K158 PolarHBondContact O-N 3.31Å; L156-K158 VanDerWaalsContact C-N 3.32Å; L156-K158 PolarHBondContact O-N 3.48Å; K158-F161 PolarHBondContact O-N 2.9Å; K158-L162 WeakPolarHBondContact O-CB 3.49Å; K158-L162 PolarHBondContact O-N 3.17Å |
| 159 | L | 92.8 | Very high | 90 | Very high | 68 Ų | 68 | 53.4 Ų | 53.4 | 36% | 0.356 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 176.9 | 178.3 | 62.6 | 0 | 0 | 0 | 110.6 | L67 W155 L156 F161 L162 L163 | L67-L159 HydrophobicContact CD2-CD1 3.89Å; W155-L159 PolarHBondContact O-N 3.38Å; L156-L159 PolarHBondContact O-N 2.89Å; L159-F161 VanDerWaalsContact C-N 3.31Å; L159-F161 PolarHBondContact O-N 2.77Å; L159-L162 PolarHBondContact O-N 3.28Å; L159-L163 HydrophobicContact CD1-CD1 4.33Å; L159-L163 HydrophobicContact CD1-CG 4.34Å; L159-L163 HydrophobicContact CG-CD1 4.15Å; L159-L163 WeakPolarHBondContact O-CB 3.31Å; L159-L163 VanDerWaalsContact O-CG 3.29Å; L159-L163 WeakPolarHBondContact O-CG 3.06Å; L159-L163 PolarHBondContact O-N 3.02Å |
| 160 | L | 94.1 | Very high | 90 | Very high | 100 Ų | 100 | 50.3 Ų | 50.3 | 52% | 0.524 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 175.6 | -68.9 | 174.8 | 0 | 0 | 0 | 111.6 | L156 L157 L163 G164 | L156-L160 HydrophobicContact CD1-CG 4.43Å; L156-L160 HydrophobicContact CG-CD1 4.2Å; L156-L160 HydrophobicContact CG-CG 4.47Å; L156-L160 WeakPolarHBondContact O-CG 3.47Å; L156-L160 PolarHBondContact O-N 3.48Å; L157-L160 PolarHBondContact O-N 3.05Å; L160-L163 PolarHBondContact O-N 3.46Å; L160-G164 PolarHBondContact O-N 2.85Å |
| 161 | F | 95.2 | Very high | 89.7 | Confident | 96 Ų | 96 | 49.5 Ų | 49.5 | 42% | 0.421 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 176.3 | -178.1 | -118.2 | 0 | 0 | 0 | 112.1 | F129 L132 L157 K158 L159 G164 L165 | F129-F161 AromaticContact CD2-CD1 3.65Å; F129-F161 HydrophobicContact CD2-CD1 3.65Å; F129-F161 HydrophobicContact CD2-CE1 4.06Å; F129-F161 AromaticContact CE2-CD1 3.95Å; F129-F161 HydrophobicContact CE2-CD1 3.95Å; L132-F161 HydrophobicContact CD1-CE1 4.19Å; L132-F161 HydrophobicContact CD1-CZ 3.78Å; L157-F161 VanDerWaalsContact O-CB 3.28Å; L157-F161 WeakPolarHBondContact O-CB 3.1Å; L157-F161 PolarHBondContact O-N 3.5Å; K158-F161 PolarHBondContact O-N 2.9Å; L159-F161 VanDerWaalsContact C-N 3.31Å; L159-F161 PolarHBondContact O-N 2.77Å; F161-G164 PolarHBondContact O-N 3.18Å; F161-L165 HydrophobicContact CD1-CD1 4.11Å; F161-L165 HydrophobicContact CE1-CD1 3.61Å; F161-L165 HydrophobicContact CE1-CG 4.39Å; F161-L165 HydrophobicContact CE2-CD1 4.33Å; F161-L165 HydrophobicContact CE2-CD2 4.45Å; F161-L165 HydrophobicContact CE2-CG 4.27Å; F161-L165 HydrophobicContact CZ-CD1 3.74Å; F161-L165 HydrophobicContact CZ-CD2 4.31Å; F161-L165 HydrophobicContact CZ-CG 4.13Å; F161-L165 WeakPolarHBondContact O-CG 3.19Å; F161-L165 PolarHBondContact O-N 3.49Å |
| 162 | L | 95.3 | Very high | 89.3 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 174.6 | 173.9 | 60.5 | 0 | 0 | 0 | 111.6 | T126 F129 K158 L159 G164 L165 C166 | T126-L162 HydrophobicContact CG2-CD1 3.85Å; F129-L162 HydrophobicContact CB-CD1 3.7Å; F129-L162 HydrophobicContact CD1-CD1 4.18Å; F129-L162 HydrophobicContact CD2-CB 3.95Å; F129-L162 HydrophobicContact CD2-CD1 4.33Å; F129-L162 HydrophobicContact CE2-CB 4.09Å; F129-L162 HydrophobicContact CG-CB 4.29Å; F129-L162 HydrophobicContact CG-CD1 3.84Å; K158-L162 WeakPolarHBondContact O-CB 3.49Å; K158-L162 PolarHBondContact O-N 3.17Å; L159-L162 PolarHBondContact O-N 3.28Å; L162-G164 VanDerWaalsContact C-N 3.3Å; L162-G164 PolarHBondContact O-N 3.44Å; L162-L165 PolarHBondContact O-N 2.93Å; L162-C166 PolarHBondContact O-N 3.45Å; L162-C166 PolarHBondContact O-SG 2.85Å |
| 163 | L | 93.1 | Very high | 89 | Confident | 99 Ų | 99 | 54.5 Ų | 54.5 | 52% | 0.518 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 176.9 | -69.5 | 173.4 | 0 | 0 | 0 | 111.5 | L159 L160 C166 A167 | L159-L163 HydrophobicContact CD1-CD1 4.33Å; L159-L163 HydrophobicContact CD1-CG 4.34Å; L159-L163 HydrophobicContact CG-CD1 4.15Å; L159-L163 WeakPolarHBondContact O-CB 3.31Å; L159-L163 VanDerWaalsContact O-CG 3.29Å; L159-L163 WeakPolarHBondContact O-CG 3.06Å; L159-L163 PolarHBondContact O-N 3.02Å; L160-L163 PolarHBondContact O-N 3.46Å; L163-C166 PolarHBondContact O-N 3.23Å; L163-A167 WeakPolarHBondContact O-CB 3.45Å; L163-A167 PolarHBondContact O-N 2.98Å |
| 164 | G | 93.6 | Very high | 88.5 | Confident | 40 Ų | 40 | 56.5 Ų | 56.5 | 41% | 0.412 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L160 F161 L162 A167 L168 | L160-G164 PolarHBondContact O-N 2.85Å; F161-G164 PolarHBondContact O-N 3.18Å; L162-G164 VanDerWaalsContact C-N 3.3Å; L162-G164 PolarHBondContact O-N 3.44Å; G164-A167 PolarHBondContact O-N 2.95Å; G164-L168 WeakPolarHBondContact O-CB 3.3Å; G164-L168 PolarHBondContact O-N 3.4Å |
| 165 | L | 94.9 | Very high | 87.8 | Confident | 27 Ų | 27 | 61 Ų | 61 | 14% | 0.141 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 174.7 | -72.6 | 173.2 | 0 | 0 | 0 | 112.2 | T128 F129 L132 F161 L162 L168 A169 | T128-L165 HydrophobicContact CG2-CD1 4.43Å; T128-L165 HydrophobicContact CG2-CD2 4.19Å; F129-L165 HydrophobicContact CB-CD1 3.71Å; F129-L165 HydrophobicContact CD2-CD1 4.38Å; L132-L165 HydrophobicContact CD1-CD1 4.37Å; F161-L165 HydrophobicContact CD1-CD1 4.11Å; F161-L165 HydrophobicContact CE1-CD1 3.61Å; F161-L165 HydrophobicContact CE1-CG 4.39Å; F161-L165 HydrophobicContact CE2-CD1 4.33Å; F161-L165 HydrophobicContact CE2-CD2 4.45Å; F161-L165 HydrophobicContact CE2-CG 4.27Å; F161-L165 HydrophobicContact CZ-CD1 3.74Å; F161-L165 HydrophobicContact CZ-CD2 4.31Å; F161-L165 HydrophobicContact CZ-CG 4.13Å; F161-L165 WeakPolarHBondContact O-CG 3.19Å; F161-L165 PolarHBondContact O-N 3.49Å; L162-L165 PolarHBondContact O-N 2.93Å; L165-L168 PolarHBondContact O-N 3.36Å; L165-A169 PolarHBondContact O-N 3.04Å |
| 166 | C | 91.5 | Very high | 87.2 | Confident | 17 Ų | 17 | 66.2 Ų | 66.2 | 12% | 0.115 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 173.2 | -69.7 | 0 | 0 | 0 | 0 | 111.1 | L162 L163 L168 A169 F170 | L162-C166 PolarHBondContact O-N 3.45Å; L162-C166 PolarHBondContact O-SG 2.85Å; L163-C166 PolarHBondContact O-N 3.23Å; C166-L168 VanDerWaalsContact C-N 3.32Å; C166-L168 PolarHBondContact O-N 2.85Å; C166-A169 WeakPolarHBondContact O-CB 3.49Å; C166-A169 PolarHBondContact O-N 2.86Å; C166-A169 VanDerWaalsContact O-N 3.11Å; C166-F170 WeakPolarHBondContact O-CD2 3.29Å; C166-F170 PolarHBondContact O-N 3.32Å; C166-F170 VanDerWaalsContact O-N 3.13Å |
| 167 | A | 87.8 | Confident | 86.5 | Confident | 48 Ų | 48 | 63.6 Ų | 63.6 | 40% | 0.397 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L163 G164 A169 F170 C171 | L163-A167 WeakPolarHBondContact O-CB 3.45Å; L163-A167 PolarHBondContact O-N 2.98Å; G164-A167 PolarHBondContact O-N 2.95Å; A167-A169 VanDerWaalsContact C-N 3.33Å; A167-A169 PolarHBondContact O-N 3.05Å; A167-F170 WeakPolarHBondContact O-CA 3.4Å; A167-F170 WeakPolarHBondContact O-CB 3.38Å; A167-F170 PolarHBondContact O-N 2.89Å; A167-C171 PolarHBondContact O-N 3.17Å; A167-C171 PolarHBondContact O-SG 2.95Å |
| 168 | L | 88.4 | Confident | 85.9 | Confident | 106 Ų | 106 | 59.5 Ų | 59.5 | 56% | 0.555 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.4 | -41.2 | 174.2 | -178.4 | 62.1 | 0 | 0 | 0 | 111.6 | G164 L165 C166 F170 C171 | G164-L168 WeakPolarHBondContact O-CB 3.3Å; G164-L168 PolarHBondContact O-N 3.4Å; L165-L168 PolarHBondContact O-N 3.36Å; C166-L168 VanDerWaalsContact C-N 3.32Å; C166-L168 PolarHBondContact O-N 2.85Å; L168-F170 PolarHBondContact O-N 3.32Å; L168-C171 VanDerWaalsContact O-CB 3.27Å; L168-C171 WeakPolarHBondContact O-CB 3.34Å; L168-C171 PolarHBondContact O-N 2.94Å |
| 169 | A | 88.8 | Confident | 85.2 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 5% | 0.05 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.2 | -28.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | R121 A124 L165 C166 A167 C171 | R121-A169 HydrophobicContact CB-CB 4.11Å; R121-A169 WeakPolarHBondContact CG-O 3.3Å; R121-A169 PolarHBondContact NH1-O 3.3Å; R121-A169 VanDerWaalsContact O-CB 3.27Å; R121-A169 WeakPolarHBondContact O-CB 3.47Å; A124-A169 HydrophobicContact CB-CB 4.25Å; L165-A169 PolarHBondContact O-N 3.04Å; C166-A169 WeakPolarHBondContact O-CB 3.49Å; C166-A169 PolarHBondContact O-N 2.86Å; C166-A169 VanDerWaalsContact O-N 3.11Å; A167-A169 VanDerWaalsContact C-N 3.33Å; A167-A169 PolarHBondContact O-N 3.05Å; A169-C171 VanDerWaalsContact C-N 3.28Å; A169-C171 PolarHBondContact O-N 3.18Å |
| 170 | F | 84.3 | Confident | 84.7 | Confident | 29 Ų | 29 | 61.7 Ų | 61.7 | 13% | 0.127 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -72.2 | -16.2 | 171.1 | -79.6 | -82.5 | 0 | 0 | 0 | 114.2 | L113 A118 R121 V122 C166 A167 L168 | L113-F170 HydrophobicContact CD2-CD1 4.19Å; L113-F170 HydrophobicContact CD2-CE1 3.97Å; L113-F170 HydrophobicContact CD2-CZ 4.41Å; A118-F170 HydrophobicContact CB-CE1 4.18Å; A118-F170 HydrophobicContact CB-CZ 4.21Å; R121-F170 HydrophobicContact CB-CD1 4.39Å; R121-F170 HydrophobicContact CB-CD2 4.26Å; R121-F170 HydrophobicContact CB-CE1 4.23Å; R121-F170 HydrophobicContact CB-CE2 4.09Å; R121-F170 HydrophobicContact CB-CG 4.39Å; R121-F170 HydrophobicContact CB-CZ 4.07Å; R121-F170 PolarHBondContact NH1-O 3.3Å; V122-F170 HydrophobicContact CG2-CE2 3.88Å; V122-F170 HydrophobicContact CG2-CZ 4.05Å; C166-F170 WeakPolarHBondContact O-CD2 3.29Å; C166-F170 PolarHBondContact O-N 3.32Å; C166-F170 VanDerWaalsContact O-N 3.13Å; A167-F170 WeakPolarHBondContact O-CA 3.4Å; A167-F170 WeakPolarHBondContact O-CB 3.38Å; A167-F170 PolarHBondContact O-N 2.89Å; L168-F170 PolarHBondContact O-N 3.32Å |
| 171 | C | 80.4 | Confident | 84.4 | Confident | 46 Ų | 46 | 58.7 Ų | 58.7 | 31% | 0.311 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -83.5 | -20.1 | 177.3 | -54.7 | 0 | 0 | 0 | 0 | 113.2 | F105 A167 L168 A169 | F105-C171 WeakPolarHBondContact CD1-SG 3.31Å; F105-C171 WeakPolarHBondContact CE1-SG 3.43Å; A167-C171 PolarHBondContact O-N 3.17Å; A167-C171 PolarHBondContact O-SG 2.95Å; L168-C171 VanDerWaalsContact O-CB 3.27Å; L168-C171 WeakPolarHBondContact O-CB 3.34Å; L168-C171 PolarHBondContact O-N 2.94Å; A169-C171 VanDerWaalsContact C-N 3.28Å; A169-C171 PolarHBondContact O-N 3.18Å |
| 172 | I | 80 | Confident | 84 | Confident | 62 Ų | 62 | 55 Ų | 55 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -80.3 | 131.7 | -174.6 | -56.9 | 171.7 | 0 | 0 | 0 | 109.4 | R121 H176 L177 | R121-I172 PolarHBondContact NH1-O 2.85Å; R121-I172 PolarHBondContact NH2-O 3.4Å; I172-H176 HydrophobicContact CG2-CB 4.3Å; I172-L177 HydrophobicContact CB-CB 4.48Å; I172-L177 HydrophobicContact CB-CD1 4.4Å; I172-L177 HydrophobicContact CD1-CD1 3.95Å; I172-L177 HydrophobicContact CG2-CB 3.87Å; I172-L177 HydrophobicContact CG2-CD1 4.17Å |
| 173 | P | 77.3 | Confident | 83.6 | Confident | 72 Ų | 72 | 62.1 Ų | 62.1 | 47% | 0.468 | 34% | 0.341 | S | S | . | . | trans | -63.8 | 150.8 | 176.2 | -17.7 | 29.4 | 0 | 0 | 0 | 112.4 | E175 H176 L177 | P173-E175 VanDerWaalsContact C-N 3.29Å; P173-E175 PolarHBondContact O-N 2.84Å; P173-H176 PolarHBondContact O-N 3.34Å; P173-L177 PolarHBondContact O-N 3.34Å | ||
| 174 | D | 74.3 | Confident | 83.5 | Confident | 79 Ų | 79 | 60.9 Ų | 60.9 | 42% | 0.422 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.8 | -41.1 | -178.1 | -69.1 | -16.7 | 0 | 0 | 0 | 112.3 | R121 H176 L177 F178 | R121-D174 IonicContact CZ-OD1 2.96Å; R121-D174 IonicContact NE-OD1 3.82Å; R121-D174 IonicContact NH2-OD1 3.27Å; R121-D174 PolarHBondContact NH2-OD1 3.45Å; D174-H176 PolarHBondContact O-N 3.46Å; D174-H176 VanDerWaalsContact O-N 3.15Å; D174-L177 PolarHBondContact O-N 3.38Å; D174-F178 HydrophobicContact CB-CD2 3.89Å; D174-F178 HydrophobicContact CB-CE2 3.69Å; D174-F178 HydrophobicContact CB-CZ 4.24Å; D174-F178 VanDerWaalsContact CG-CE2 3.42Å; D174-F178 PolarHBondContact O-N 3.47Å; D174-F178 WeakPolarHBondContact OD1-CE2 3.3Å; D174-F178 WeakPolarHBondContact OD1-CZ 3.25Å |
| 175 | E | 72.1 | Confident | 83.3 | Confident | 154 Ų | 154 | 59 Ų | 59 | 72% | 0.72 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -56.2 | -31.2 | -179.7 | -59.2 | -58.6 | 154.2 | 0 | 0 | 113.8 | P173 P179 | P173-E175 VanDerWaalsContact C-N 3.29Å; P173-E175 PolarHBondContact O-N 2.84Å; E175-P179 WeakPolarHBondContact O-CD 3.5Å |
| 176 | H | 74.4 | Confident | 82.9 | Confident | 143 Ų | 143 | 58.8 Ų | 58.8 | 66% | 0.662 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -96.7 | -32.4 | -177.5 | -62.8 | -51.1 | 0 | 0 | 0 | 112.7 | I172 P173 D174 | I172-H176 HydrophobicContact CG2-CB 4.3Å; P173-H176 PolarHBondContact O-N 3.34Å; D174-H176 PolarHBondContact O-N 3.46Å; D174-H176 VanDerWaalsContact O-N 3.15Å |
| 177 | L | 75.3 | Confident | 82.8 | Confident | 18 Ų | 18 | 62.2 Ų | 62.2 | 9% | 0.094 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -82.3 | -49 | -175.6 | -167.4 | 73.2 | 0 | 0 | 0 | 111.5 | R121 I172 P173 D174 W181 | R121-L177 HydrophobicContact CG-CD2 3.72Å; I172-L177 HydrophobicContact CB-CB 4.48Å; I172-L177 HydrophobicContact CB-CD1 4.4Å; I172-L177 HydrophobicContact CD1-CD1 3.95Å; I172-L177 HydrophobicContact CG2-CB 3.87Å; I172-L177 HydrophobicContact CG2-CD1 4.17Å; P173-L177 PolarHBondContact O-N 3.34Å; D174-L177 PolarHBondContact O-N 3.38Å; L177-W181 WeakPolarHBondContact O-CB 3.28Å; L177-W181 PolarHBondContact O-N 3.42Å; L177-W181 VanDerWaalsContact O-N 3.13Å |
| 178 | F | 77.5 | Confident | 82.7 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.2 | -42.4 | -163.9 | -65.2 | -10.8 | 0 | 0 | 0 | 114.9 | G117 Y120 D174 A180 W181 H182 Y449 | G117-F178 VanDerWaalsContact CA-CZ 3.47Å; Y120-F178 HydrophobicContact CD1-CD1 4.19Å; Y120-F178 HydrophobicContact CG-CD1 4.32Å; Y120-F178 HydrophobicContact CG-CE1 4.31Å; D174-F178 HydrophobicContact CB-CD2 3.89Å; D174-F178 HydrophobicContact CB-CE2 3.69Å; D174-F178 HydrophobicContact CB-CZ 4.24Å; D174-F178 VanDerWaalsContact CG-CE2 3.42Å; D174-F178 PolarHBondContact O-N 3.47Å; D174-F178 WeakPolarHBondContact OD1-CE2 3.3Å; D174-F178 WeakPolarHBondContact OD1-CZ 3.25Å; F178-A180 PolarHBondContact O-N 3.07Å; F178-W181 PolarHBondContact O-N 3.21Å; F178-H182 WeakPolarHBondContact O-CB 3.42Å; F178-H182 PolarHBondContact O-N 3.09Å; F178-Y449 HydrophobicContact CB-CE2 4.37Å; F178-Y449 HydrophobicContact CD2-CE2 4.04Å |
| 179 | P | 78.9 | Confident | 82.4 | Confident | 66 Ų | 66 | 55.1 Ų | 55.1 | 43% | 0.429 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.7 | -51.9 | -176.1 | -25.7 | 35.1 | 0 | 0 | 0 | 112.9 | E175 Y183 | E175-P179 WeakPolarHBondContact O-CD 3.5Å; P179-Y183 WeakPolarHBondContact O-CD2 3.37Å |
| 180 | A | 82.6 | Confident | 82.2 | Confident | 59 Ų | 59 | 60.1 Ų | 60.1 | 49% | 0.488 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -72.2 | -43.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F178 H182 Y183 I184 | F178-A180 PolarHBondContact O-N 3.07Å; A180-H182 VanDerWaalsContact C-N 3.3Å; A180-H182 PolarHBondContact O-N 2.89Å; A180-Y183 PolarHBondContact O-N 2.9Å; A180-I184 WeakPolarHBondContact O-CG1 3.4Å; A180-I184 PolarHBondContact O-N 3.48Å; A180-I184 VanDerWaalsContact O-N 3.12Å |
| 181 | W | 87.4 | Confident | 82.1 | Confident | 37 Ų | 37 | 60.6 Ų | 60.6 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.7 | -30.2 | -175.2 | -161.1 | -112.7 | 0 | 0 | 0 | 112.6 | Y120 A124 A127 L177 F178 I184 G185 L437 M440 | Y120-W181 AromaticContact CD1-CD1 3.87Å; A124-W181 VanDerWaalsContact CA-CZ2 3.49Å; A124-W181 HydrophobicContact CB-CD2 4.32Å; A124-W181 HydrophobicContact CB-CZ2 3.92Å; A127-W181 HydrophobicContact CB-CH2 4.13Å; A127-W181 HydrophobicContact CB-CZ2 3.8Å; L177-W181 WeakPolarHBondContact O-CB 3.28Å; L177-W181 PolarHBondContact O-N 3.42Å; L177-W181 VanDerWaalsContact O-N 3.13Å; F178-W181 PolarHBondContact O-N 3.21Å; W181-I184 HydrophobicContact CE3-CB 4.49Å; W181-I184 HydrophobicContact CE3-CD1 3.96Å; W181-I184 HydrophobicContact CE3-CG2 4.41Å; W181-I184 HydrophobicContact CZ3-CD1 4.21Å; W181-I184 HydrophobicContact CZ3-CG2 4.24Å; W181-G185 PolarHBondContact O-N 2.84Å; W181-L437 HydrophobicContact CH2-CD2 4.2Å; W181-L437 HydrophobicContact CZ2-CD2 3.65Å; W181-M440 HydrophobicContact CG-CE 4.46Å; W181-M440 HydrophobicContact CG-SD 4.46Å; W181-M440 PolarHBondContact NE1-SD 2.83Å; W181-M440 WeakPolarHBondContact O-CE 3.35Å |
| 182 | H | 85.3 | Confident | 82.2 | Confident | 18 Ų | 18 | 58.5 Ų | 58.5 | 8% | 0.083 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.9 | -50.7 | 172.3 | -178.3 | 75.7 | 0 | 0 | 0 | 112.6 | Y120 F178 A180 G185 I186 W446 Y449 | Y120-H182 HydrophobicContact CE1-CB 4.12Å; Y120-H182 AromaticContact CZ-ND1 3.86Å; Y120-H182 PolarHBondContact OH-ND1 3.49Å; F178-H182 WeakPolarHBondContact O-CB 3.42Å; F178-H182 PolarHBondContact O-N 3.09Å; A180-H182 VanDerWaalsContact C-N 3.3Å; A180-H182 PolarHBondContact O-N 2.89Å; H182-G185 WeakPolarHBondContact O-CA 3.49Å; H182-G185 PolarHBondContact O-N 3.47Å; H182-G185 VanDerWaalsContact O-N 3.17Å; H182-I186 VanDerWaalsContact NE2-CD1 3.32Å; H182-I186 WeakPolarHBondContact NE2-CD1 3.35Å; H182-I186 WeakPolarHBondContact O-CG1 3.36Å; H182-I186 PolarHBondContact O-N 3.01Å; H182-W446 PolarHBondContact CE1-O 2.98Å; H182-Y449 AromaticContact CE1-CD1 3.87Å; H182-Y449 AromaticContact ND1-CD1 3.92Å |
| 183 | Y | 87 | Confident | 82.1 | Confident | 161 Ų | 161 | 56 Ų | 56 | 63% | 0.631 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.9 | -42.1 | 178.5 | -69.3 | -67.2 | 0 | 0 | 0 | 112.2 | P179 A180 G185 I186 C187 | P179-Y183 WeakPolarHBondContact O-CD2 3.37Å; A180-Y183 PolarHBondContact O-N 2.9Å; Y183-G185 PolarHBondContact O-N 2.91Å; Y183-I186 PolarHBondContact O-N 3.28Å; Y183-C187 PolarHBondContact O-N 3.44Å; Y183-C187 PolarHBondContact O-SG 3.33Å; Y183-C187 VanDerWaalsContact O-SG 3.41Å |
| 184 | I | 91.4 | Very high | 82.2 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 173.6 | -66.8 | 168.1 | 0 | 0 | 0 | 110 | A180 W181 G188 L437 | A180-I184 WeakPolarHBondContact O-CG1 3.4Å; A180-I184 PolarHBondContact O-N 3.48Å; A180-I184 VanDerWaalsContact O-N 3.12Å; W181-I184 HydrophobicContact CE3-CB 4.49Å; W181-I184 HydrophobicContact CE3-CD1 3.96Å; W181-I184 HydrophobicContact CE3-CG2 4.41Å; W181-I184 HydrophobicContact CZ3-CD1 4.21Å; W181-I184 HydrophobicContact CZ3-CG2 4.24Å; I184-G188 PolarHBondContact O-N 3.44Å; I184-L437 HydrophobicContact CG2-CD1 3.98Å; I184-L437 HydrophobicContact CG2-CD2 4.18Å |
| 185 | G | 88.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56 | -50.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | W181 H182 Y183 G188 G189 V441 | W181-G185 PolarHBondContact O-N 2.84Å; H182-G185 WeakPolarHBondContact O-CA 3.49Å; H182-G185 PolarHBondContact O-N 3.47Å; H182-G185 VanDerWaalsContact O-N 3.17Å; Y183-G185 PolarHBondContact O-N 2.91Å; G185-G188 PolarHBondContact O-N 3.05Å; G185-G189 WeakPolarHBondContact O-CA 3.38Å; G185-G189 PolarHBondContact O-N 3.19Å; G185-V441 WeakPolarHBondContact O-CG1 3.23Å |
| 186 | I | 86.6 | Confident | 82.4 | Confident | 23 Ų | 23 | 47.7 Ų | 47.7 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -49.1 | -179 | -70 | 166.9 | 0 | 0 | 0 | 110.5 | H182 Y183 G188 G189 F190 V441 F447 | H182-I186 VanDerWaalsContact NE2-CD1 3.32Å; H182-I186 WeakPolarHBondContact NE2-CD1 3.35Å; H182-I186 WeakPolarHBondContact O-CG1 3.36Å; H182-I186 PolarHBondContact O-N 3.01Å; Y183-I186 PolarHBondContact O-N 3.28Å; I186-G188 PolarHBondContact O-N 3.08Å; I186-G189 PolarHBondContact O-N 3.02Å; I186-F190 WeakPolarHBondContact O-CB 3.45Å; I186-F190 PolarHBondContact O-N 2.81Å; I186-V441 HydrophobicContact CG1-CG1 4.28Å; I186-F447 HydrophobicContact CD1-CD1 3.77Å; I186-F447 HydrophobicContact CD1-CE1 3.77Å; I186-F447 HydrophobicContact CG1-CE1 4.49Å; I186-F447 HydrophobicContact CG2-CE1 4.14Å; I186-F447 HydrophobicContact CG2-CZ 4.15Å |
| 187 | C | 90.1 | Very high | 82.5 | Confident | 89 Ų | 89 | 40.9 Ų | 40.9 | 60% | 0.601 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -61.8 | -45.6 | 178.8 | -68.1 | 0 | 0 | 0 | 0 | 111.6 | Y183 F190 A191 | Y183-C187 PolarHBondContact O-N 3.44Å; Y183-C187 PolarHBondContact O-SG 3.33Å; Y183-C187 VanDerWaalsContact O-SG 3.41Å; C187-F190 PolarHBondContact O-N 2.96Å; C187-A191 WeakPolarHBondContact O-CB 3.45Å; C187-A191 PolarHBondContact O-N 3.44Å |
| 188 | G | 86.9 | Confident | 82.6 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 6% | 0.062 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.4 | -41 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I184 G185 I186 A191 F192 | I184-G188 PolarHBondContact O-N 3.44Å; G185-G188 PolarHBondContact O-N 3.05Å; I186-G188 PolarHBondContact O-N 3.08Å; G188-A191 PolarHBondContact O-N 3.5Å; G188-F192 WeakPolarHBondContact O-CB 3.46Å; G188-F192 PolarHBondContact O-N 3.47Å |
| 189 | G | 81.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.5 | -42 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G185 I186 F192 I193 | G185-G189 WeakPolarHBondContact O-CA 3.38Å; G185-G189 PolarHBondContact O-N 3.19Å; I186-G189 PolarHBondContact O-N 3.02Å; G189-F192 PolarHBondContact O-N 2.92Å; G189-I193 WeakPolarHBondContact O-CG1 3.39Å; G189-I193 PolarHBondContact O-N 2.86Å |
| 190 | F | 83.8 | Confident | 81.8 | Confident | 111 Ų | 111 | 40 Ų | 40 | 49% | 0.487 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.7 | -44.9 | 172.8 | 180 | -100.9 | 0 | 0 | 0 | 112.2 | I186 C187 F192 I193 L194 | I186-F190 WeakPolarHBondContact O-CB 3.45Å; I186-F190 PolarHBondContact O-N 2.81Å; C187-F190 PolarHBondContact O-N 2.96Å; F190-F192 VanDerWaalsContact C-N 3.29Å; F190-F192 PolarHBondContact O-N 3.21Å; F190-I193 WeakPolarHBondContact O-CB 3.5Å; F190-I193 PolarHBondContact O-N 2.86Å; F190-L194 HydrophobicContact CD1-CD1 4.09Å; F190-L194 HydrophobicContact CD1-CG 4.48Å; F190-L194 HydrophobicContact CE1-CD1 3.45Å; F190-L194 VanDerWaalsContact CE1-CD1 3.45Å; F190-L194 HydrophobicContact CE1-CG 4.05Å; F190-L194 HydrophobicContact CZ-CD1 3.84Å; F190-L194 HydrophobicContact CZ-CD2 4.27Å; F190-L194 HydrophobicContact CZ-CG 4.11Å; F190-L194 PolarHBondContact O-N 3.23Å |
| 191 | A | 82.8 | Confident | 81.5 | Confident | 38 Ų | 38 | 37.3 Ų | 37.3 | 31% | 0.314 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.5 | -39.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | C187 G188 L194 L195 L434 | C187-A191 WeakPolarHBondContact O-CB 3.45Å; C187-A191 PolarHBondContact O-N 3.44Å; G188-A191 PolarHBondContact O-N 3.5Å; A191-L194 PolarHBondContact O-N 3.43Å; A191-L195 WeakPolarHBondContact O-CB 3.31Å; A191-L195 PolarHBondContact O-N 3.16Å; A191-L434 HydrophobicContact CB-CD1 4.4Å; A191-L434 HydrophobicContact CB-CD2 4.25Å |
| 192 | F | 81.7 | Confident | 80.8 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.9 | -41 | 175.7 | -170.4 | -103 | 0 | 0 | 0 | 112.5 | G188 G189 F190 L195 Q196 A359 V431 L434 A435 Y438 | G188-F192 WeakPolarHBondContact O-CB 3.46Å; G188-F192 PolarHBondContact O-N 3.47Å; G189-F192 PolarHBondContact O-N 2.92Å; F190-F192 VanDerWaalsContact C-N 3.29Å; F190-F192 PolarHBondContact O-N 3.21Å; F192-L195 WeakPolarHBondContact O-CB 3.43Å; F192-L195 PolarHBondContact O-N 2.94Å; F192-Q196 WeakPolarHBondContact O-CB 3.23Å; F192-Q196 PolarHBondContact O-N 3.49Å; F192-A359 HydrophobicContact CZ-CB 4.25Å; F192-V431 HydrophobicContact CE2-CG1 4.12Å; F192-L434 HydrophobicContact CB-CB 4.04Å; F192-L434 HydrophobicContact CD2-CB 3.77Å; F192-L434 HydrophobicContact CG-CB 4.36Å; F192-A435 HydrophobicContact CD2-CB 4.1Å; F192-A435 HydrophobicContact CE2-CB 3.51Å; F192-A435 HydrophobicContact CZ-CB 3.74Å; F192-Y438 HydrophobicContact CB-CG 4.47Å; F192-Y438 AromaticContact CD1-CD1 3.68Å; F192-Y438 HydrophobicContact CD1-CD1 3.68Å; F192-Y438 HydrophobicContact CD1-CD2 4.06Å; F192-Y438 HydrophobicContact CD1-CE1 4.43Å; F192-Y438 AromaticContact CD1-CG 3.46Å; F192-Y438 HydrophobicContact CD1-CG 3.46Å; F192-Y438 VanDerWaalsContact CD1-CG 3.46Å; F192-Y438 AromaticContact CE1-CD1 3.79Å; F192-Y438 HydrophobicContact CE1-CD1 3.79Å; F192-Y438 HydrophobicContact CE1-CE1 4.38Å; F192-Y438 HydrophobicContact CE1-CG 4.08Å; F192-Y438 HydrophobicContact CG-CG 4.27Å |
| 193 | I | 78.1 | Confident | 80.2 | Confident | 10 Ų | 10 | 37.3 Ų | 37.3 | 5% | 0.051 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.6 | -52.3 | 173.5 | -74.1 | 174.1 | 0 | 0 | 0 | 110 | G189 F190 L195 Q196 L197 Y438 W446 V468 S472 | G189-I193 WeakPolarHBondContact O-CG1 3.39Å; G189-I193 PolarHBondContact O-N 2.86Å; F190-I193 WeakPolarHBondContact O-CB 3.5Å; F190-I193 PolarHBondContact O-N 2.86Å; I193-L195 VanDerWaalsContact C-N 3.29Å; I193-L195 PolarHBondContact O-N 3.29Å; I193-Q196 WeakPolarHBondContact O-CB 3.48Å; I193-Q196 PolarHBondContact O-N 3.31Å; I193-Q196 VanDerWaalsContact O-N 3.17Å; I193-L197 HydrophobicContact CG2-CD1 4.11Å; I193-L197 HydrophobicContact CG2-CG 4.3Å; I193-L197 VanDerWaalsContact O-CG 3.29Å; I193-L197 WeakPolarHBondContact O-CG 3.49Å; I193-L197 PolarHBondContact O-N 3.3Å; I193-Y438 HydrophobicContact CD1-CE2 4.13Å; I193-Y438 HydrophobicContact CG1-CD2 4.07Å; I193-Y438 HydrophobicContact CG1-CE2 3.81Å; I193-W446 HydrophobicContact CD1-CH2 3.54Å; I193-W446 HydrophobicContact CD1-CZ2 3.63Å; I193-V468 HydrophobicContact CD1-CG1 3.74Å; I193-S472 WeakPolarHBondContact CG2-OG 3.33Å |
| 194 | L | 79.9 | Confident | 79.8 | Confident | 68 Ų | 68 | 29.7 Ų | 29.7 | 36% | 0.356 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.3 | -42.9 | 180 | -69.3 | -178 | 0 | 0 | 0 | 111.9 | F190 A191 L197 V198 A475 | F190-L194 HydrophobicContact CD1-CD1 4.09Å; F190-L194 HydrophobicContact CD1-CG 4.48Å; F190-L194 HydrophobicContact CE1-CD1 3.45Å; F190-L194 VanDerWaalsContact CE1-CD1 3.45Å; F190-L194 HydrophobicContact CE1-CG 4.05Å; F190-L194 HydrophobicContact CZ-CD1 3.84Å; F190-L194 HydrophobicContact CZ-CD2 4.27Å; F190-L194 HydrophobicContact CZ-CG 4.11Å; F190-L194 PolarHBondContact O-N 3.23Å; A191-L194 PolarHBondContact O-N 3.43Å; L194-L197 HydrophobicContact CD2-CD1 4.49Å; L194-L197 PolarHBondContact O-N 3.2Å; L194-V198 WeakPolarHBondContact O-CG2 3.28Å; L194-V198 PolarHBondContact O-N 2.93Å; L194-V198 VanDerWaalsContact O-N 3.09Å; L194-A475 HydrophobicContact CD2-CB 4.48Å |
| 195 | L | 75.5 | Confident | 79.2 | Confident | 39 Ų | 39 | 27.5 Ų | 27.5 | 20% | 0.204 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.5 | -54.8 | 174.5 | 180 | 67 | 0 | 0 | 0 | 110 | A191 F192 I193 L197 V198 L199 V431 | A191-L195 WeakPolarHBondContact O-CB 3.31Å; A191-L195 PolarHBondContact O-N 3.16Å; F192-L195 WeakPolarHBondContact O-CB 3.43Å; F192-L195 PolarHBondContact O-N 2.94Å; I193-L195 VanDerWaalsContact C-N 3.29Å; I193-L195 PolarHBondContact O-N 3.29Å; L195-L197 VanDerWaalsContact C-N 3.3Å; L195-L197 PolarHBondContact O-N 3.23Å; L195-V198 WeakPolarHBondContact O-CB 2.84Å; L195-V198 PolarHBondContact O-N 3.4Å; L195-L199 HydrophobicContact CD1-CD2 4.04Å; L195-L199 HydrophobicContact CG-CD1 4.36Å; L195-L199 HydrophobicContact CG-CD2 4.4Å; L195-L199 HydrophobicContact CG-CG 4.35Å; L195-L199 VanDerWaalsContact O-CG 3.31Å; L195-L199 WeakPolarHBondContact O-CG 3.34Å; L195-L199 PolarHBondContact O-N 2.88Å; L195-V431 HydrophobicContact CD2-CB 4.34Å; L195-V431 HydrophobicContact CD2-CG1 3.9Å; L195-V431 HydrophobicContact CD2-CG2 3.74Å |
| 196 | Q | 74.8 | Confident | 78.4 | Confident | 24 Ų | 24 | 28.8 Ų | 28.8 | 11% | 0.112 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.3 | -42.9 | 179.4 | 174.8 | 178.6 | 79.9 | 0 | 0 | 112.7 | F192 I193 V198 L199 I200 | F192-Q196 WeakPolarHBondContact O-CB 3.23Å; F192-Q196 PolarHBondContact O-N 3.49Å; I193-Q196 WeakPolarHBondContact O-CB 3.48Å; I193-Q196 PolarHBondContact O-N 3.31Å; I193-Q196 VanDerWaalsContact O-N 3.17Å; Q196-V198 VanDerWaalsContact C-N 3.31Å; Q196-V198 PolarHBondContact O-N 2.91Å; Q196-L199 PolarHBondContact O-N 3.41Å; Q196-I200 WeakPolarHBondContact O-CG2 3.23Å; Q196-I200 PolarHBondContact O-N 3.36Å |
| 197 | L | 76.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.7 | -42.1 | 176.9 | -69.2 | -178.9 | 0 | 0 | 0 | 111.6 | I193 L194 L195 I200 T201 Y297 L301 S472 A475 C476 L479 | I193-L197 HydrophobicContact CG2-CD1 4.11Å; I193-L197 HydrophobicContact CG2-CG 4.3Å; I193-L197 VanDerWaalsContact O-CG 3.29Å; I193-L197 WeakPolarHBondContact O-CG 3.49Å; I193-L197 PolarHBondContact O-N 3.3Å; L194-L197 HydrophobicContact CD2-CD1 4.49Å; L194-L197 PolarHBondContact O-N 3.2Å; L195-L197 VanDerWaalsContact C-N 3.3Å; L195-L197 PolarHBondContact O-N 3.23Å; L197-I200 VanDerWaalsContact O-CG2 3.31Å; L197-I200 WeakPolarHBondContact O-CG2 3.46Å; L197-T201 WeakPolarHBondContact O-CB 3.45Å; L197-T201 PolarHBondContact O-N 3.44Å; L197-T201 PolarHBondContact O-OG1 2.85Å; L197-T201 VanDerWaalsContact O-OG1 3.05Å; L197-Y297 HydrophobicContact CD2-CE1 3.53Å; L197-L301 HydrophobicContact CD2-CD1 4.48Å; L197-S472 WeakPolarHBondContact CD1-O 3.12Å; L197-A475 HydrophobicContact CD1-CB 3.75Å; L197-C476 HydrophobicContact CD2-CB 3.81Å; L197-L479 HydrophobicContact CB-CD1 3.81Å |
| 198 | V | 76.6 | Confident | 77.7 | Confident | 31 Ų | 31 | 27 Ų | 27 | 19% | 0.188 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.5 | -43.9 | 174.9 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | L194 L195 Q196 T201 A202 I371 L479 | L194-V198 WeakPolarHBondContact O-CG2 3.28Å; L194-V198 PolarHBondContact O-N 2.93Å; L194-V198 VanDerWaalsContact O-N 3.09Å; L195-V198 WeakPolarHBondContact O-CB 2.84Å; L195-V198 PolarHBondContact O-N 3.4Å; Q196-V198 VanDerWaalsContact C-N 3.31Å; Q196-V198 PolarHBondContact O-N 2.91Å; V198-T201 PolarHBondContact O-N 2.88Å; V198-A202 WeakPolarHBondContact O-CB 3.09Å; V198-A202 PolarHBondContact O-N 2.75Å; V198-I371 HydrophobicContact CG1-CD1 4.36Å; V198-I371 HydrophobicContact CG1-CG1 4.39Å; V198-L479 HydrophobicContact CG2-CD1 4Å; V198-L479 HydrophobicContact CG2-CD2 4.31Å |
| 199 | L | 70.4 | Confident | 77.5 | Confident | 15 Ų | 15 | 29 Ų | 29 | 8% | 0.079 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.5 | -47 | -178.1 | -51.2 | -177 | 0 | 0 | 0 | 111.4 | L195 Q196 T201 A202 F203 A359 L362 W370 | L195-L199 HydrophobicContact CD1-CD2 4.04Å; L195-L199 HydrophobicContact CG-CD1 4.36Å; L195-L199 HydrophobicContact CG-CD2 4.4Å; L195-L199 HydrophobicContact CG-CG 4.35Å; L195-L199 VanDerWaalsContact O-CG 3.31Å; L195-L199 WeakPolarHBondContact O-CG 3.34Å; L195-L199 PolarHBondContact O-N 2.88Å; Q196-L199 PolarHBondContact O-N 3.41Å; L199-T201 VanDerWaalsContact C-N 3.34Å; L199-T201 PolarHBondContact O-N 3.22Å; L199-A202 PolarHBondContact O-N 3.23Å; L199-F203 VanDerWaalsContact O-CB 3.3Å; L199-F203 WeakPolarHBondContact O-CB 3.24Å; L199-F203 PolarHBondContact O-N 2.92Å; L199-A359 HydrophobicContact CD1-CB 4.36Å; L199-L362 HydrophobicContact CB-CB 4.29Å; L199-L362 HydrophobicContact CB-CD1 3.8Å; L199-L362 HydrophobicContact CD1-CB 4.4Å; L199-W370 HydrophobicContact CB-CH2 3.88Å; L199-W370 HydrophobicContact CB-CZ3 4.02Å; L199-W370 HydrophobicContact CD2-CE3 3.53Å; L199-W370 HydrophobicContact CD2-CH2 3.7Å; L199-W370 HydrophobicContact CD2-CZ3 3.07Å; L199-W370 HydrophobicContact CG-CH2 4.33Å; L199-W370 HydrophobicContact CG-CZ3 3.99Å |
| 200 | I | 71 | Confident | 77.4 | Confident | 37 Ų | 37 | 33.5 Ų | 33.5 | 19% | 0.19 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.7 | -37.3 | -178.2 | -165.2 | 171.6 | 0 | 0 | 0 | 111.7 | Q196 L197 F203 A204 Y297 | Q196-I200 WeakPolarHBondContact O-CG2 3.23Å; Q196-I200 PolarHBondContact O-N 3.36Å; L197-I200 VanDerWaalsContact O-CG2 3.31Å; L197-I200 WeakPolarHBondContact O-CG2 3.46Å; I200-F203 WeakPolarHBondContact O-CB 3.27Å; I200-A204 PolarHBondContact O-N 3.33Å; I200-Y297 HydrophobicContact CD1-CD1 4.07Å; I200-Y297 HydrophobicContact CD1-CD2 3.42Å; I200-Y297 VanDerWaalsContact CD1-CD2 3.42Å; I200-Y297 HydrophobicContact CD1-CE1 4.31Å; I200-Y297 HydrophobicContact CD1-CE2 3.71Å; I200-Y297 HydrophobicContact CD1-CG 3.61Å; I200-Y297 HydrophobicContact CG2-CD1 4.3Å; I200-Y297 HydrophobicContact CG2-CE1 4.06Å |
| 201 | T | 75.9 | Confident | 77.3 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.4 | -44.4 | 177 | -63.1 | 0 | 0 | 0 | 0 | 112 | L197 V198 L199 F203 A204 H205 Y480 L483 | L197-T201 WeakPolarHBondContact O-CB 3.45Å; L197-T201 PolarHBondContact O-N 3.44Å; L197-T201 PolarHBondContact O-OG1 2.85Å; L197-T201 VanDerWaalsContact O-OG1 3.05Å; V198-T201 PolarHBondContact O-N 2.88Å; L199-T201 VanDerWaalsContact C-N 3.34Å; L199-T201 PolarHBondContact O-N 3.22Å; T201-F203 VanDerWaalsContact C-N 3.35Å; T201-A204 PolarHBondContact O-N 2.91Å; T201-H205 PolarHBondContact O-N 3.15Å; T201-Y480 HydrophobicContact CG2-CD2 3.9Å; T201-L483 HydrophobicContact CG2-CD1 3.38Å |
| 202 | A | 72.6 | Confident | 77.3 | Confident | 15 Ų | 15 | 32.5 Ų | 32.5 | 12% | 0.124 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -73.5 | -28.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V198 L199 H205 S206 W370 | V198-A202 WeakPolarHBondContact O-CB 3.09Å; V198-A202 PolarHBondContact O-N 2.75Å; L199-A202 PolarHBondContact O-N 3.23Å; A202-H205 PolarHBondContact O-N 3.24Å; A202-S206 WeakPolarHBondContact O-CB 3.46Å; A202-S206 PolarHBondContact O-N 2.94Å; A202-W370 HydrophobicContact CB-CH2 4.23Å; A202-W370 HydrophobicContact CB-CZ2 3.25Å |
| 203 | F | 73.3 | Confident | 77.4 | Confident | 39 Ų | 39 | 35 Ų | 35 | 17% | 0.171 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.6 | -52.5 | 165.3 | 173 | -114.9 | 0 | 0 | 0 | 112.1 | L199 I200 T201 H205 S206 W207 L362 | L199-F203 VanDerWaalsContact O-CB 3.3Å; L199-F203 WeakPolarHBondContact O-CB 3.24Å; L199-F203 PolarHBondContact O-N 2.92Å; I200-F203 WeakPolarHBondContact O-CB 3.27Å; T201-F203 VanDerWaalsContact C-N 3.35Å; F203-H205 VanDerWaalsContact C-N 3.25Å; F203-H205 PolarHBondContact O-N 2.64Å; F203-S206 PolarHBondContact O-N 3.21Å; F203-S206 VanDerWaalsContact O-N 3.12Å; F203-W207 HydrophobicContact CD1-CE3 4.36Å; F203-W207 AromaticContact CE1-CE3 3.35Å; F203-W207 HydrophobicContact CE1-CE3 3.35Å; F203-W207 AromaticContact CE1-CZ3 3.65Å; F203-W207 HydrophobicContact CE1-CZ3 3.65Å; F203-W207 HydrophobicContact CE2-CE3 4.03Å; F203-W207 HydrophobicContact CZ-CD2 4.12Å; F203-W207 AromaticContact CZ-CE3 3.15Å; F203-W207 HydrophobicContact CZ-CE3 3.15Å; F203-W207 AromaticContact CZ-CZ3 3.44Å; F203-W207 HydrophobicContact CZ-CZ3 3.44Å; F203-W207 VanDerWaalsContact CZ-CZ3 3.44Å; F203-W207 WeakPolarHBondContact O-CB 3.13Å; F203-W207 PolarHBondContact O-N 3.36Å; F203-L362 HydrophobicContact CB-CD1 4.17Å; F203-L362 HydrophobicContact CB-CD2 3.49Å; F203-L362 VanDerWaalsContact CB-CD2 3.49Å; F203-L362 HydrophobicContact CB-CG 4.49Å; F203-L362 HydrophobicContact CD2-CD2 3.44Å; F203-L362 VanDerWaalsContact CD2-CD2 3.44Å; F203-L362 HydrophobicContact CE2-CD2 4.32Å; F203-L362 HydrophobicContact CG-CD2 3.63Å |
| 204 | A | 77 | Confident | 77.6 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 2% | 0.017 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.5 | -41.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I200 T201 N208 Q290 V293 I294 | I200-A204 PolarHBondContact O-N 3.33Å; T201-A204 PolarHBondContact O-N 2.91Å; A204-N208 VanDerWaalsContact O-CB 3.3Å; A204-N208 WeakPolarHBondContact O-CB 3.37Å; A204-N208 PolarHBondContact O-N 2.92Å; A204-Q290 HydrophobicContact CB-CB 4.25Å; A204-V293 HydrophobicContact CB-CB 4.31Å; A204-V293 HydrophobicContact CB-CG1 4.03Å; A204-I294 HydrophobicContact CB-CD1 4.09Å; A204-I294 HydrophobicContact CB-CG1 4.26Å |
| 205 | H | 78.9 | Confident | 77.9 | Confident | 27 Ų | 27 | 32.6 Ų | 32.6 | 13% | 0.125 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 175.2 | -165.7 | 66.6 | 0 | 0 | 0 | 112.4 | T201 A202 F203 N208 K209 Q283 Q290 E378 | T201-H205 PolarHBondContact O-N 3.15Å; A202-H205 PolarHBondContact O-N 3.24Å; F203-H205 VanDerWaalsContact C-N 3.25Å; F203-H205 PolarHBondContact O-N 2.64Å; H205-N208 PolarHBondContact O-N 3.13Å; H205-K209 VanDerWaalsContact O-CB 3.28Å; H205-K209 WeakPolarHBondContact O-CB 3.36Å; H205-K209 PolarHBondContact O-N 3.28Å; H205-Q283 PolarHBondContact CE1-NE2 3.1Å; H205-Q290 PolarHBondContact ND1-OE1 3.49Å; H205-E378 IonicContact CD2-OE1 2.69Å; H205-E378 PolarHBondContact CD2-OE1 3.29Å; H205-E378 IonicContact NE2-OE1 2.78Å; H205-E378 PolarHBondContact NE2-OE1 3.2Å; H205-E378 IonicContact NE2-OE2 3.1Å |
| 206 | S | 73.4 | Confident | 78.3 | Confident | 26 Ų | 26 | 35 Ų | 35 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | -179.9 | -172.2 | 0 | 0 | 0 | 0 | 112.4 | A202 F203 K209 N210 | A202-S206 WeakPolarHBondContact O-CB 3.46Å; A202-S206 PolarHBondContact O-N 2.94Å; F203-S206 PolarHBondContact O-N 3.21Å; F203-S206 VanDerWaalsContact O-N 3.12Å; S206-K209 PolarHBondContact O-N 2.9Å; S206-N210 WeakPolarHBondContact O-CB 3.33Å; S206-N210 PolarHBondContact O-N 2.74Å; S206-N210 PolarHBondContact O-ND2 3.21Å; S206-N210 PolarHBondContact O-OD1 3.29Å |
| 207 | W | 75.9 | Confident | 78.8 | Confident | 75 Ų | 75 | 41.1 Ų | 41.1 | 28% | 0.284 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.5 | -51.9 | 176.2 | -169.9 | -13 | 0 | 0 | 0 | 109.8 | F203 K209 N210 W211 | F203-W207 HydrophobicContact CD1-CE3 4.36Å; F203-W207 AromaticContact CE1-CE3 3.35Å; F203-W207 HydrophobicContact CE1-CE3 3.35Å; F203-W207 AromaticContact CE1-CZ3 3.65Å; F203-W207 HydrophobicContact CE1-CZ3 3.65Å; F203-W207 HydrophobicContact CE2-CE3 4.03Å; F203-W207 HydrophobicContact CZ-CD2 4.12Å; F203-W207 AromaticContact CZ-CE3 3.15Å; F203-W207 HydrophobicContact CZ-CE3 3.15Å; F203-W207 AromaticContact CZ-CZ3 3.44Å; F203-W207 HydrophobicContact CZ-CZ3 3.44Å; F203-W207 VanDerWaalsContact CZ-CZ3 3.44Å; F203-W207 WeakPolarHBondContact O-CB 3.13Å; F203-W207 PolarHBondContact O-N 3.36Å; W207-K209 VanDerWaalsContact C-N 3.32Å; W207-K209 PolarHBondContact O-N 3.3Å; W207-N210 PolarHBondContact O-N 2.68Å; W207-W211 AromaticContact CD1-CD1 3.41Å; W207-W211 VanDerWaalsContact CD1-CD1 3.41Å; W207-W211 AromaticContact CD1-CD2 3.81Å; W207-W211 AromaticContact CD1-CE2 3.72Å; W207-W211 AromaticContact CD1-CG 3.64Å; W207-W211 AromaticContact CD1-NE1 3.44Å; W207-W211 HydrophobicContact CZ2-CH2 4.37Å; W207-W211 HydrophobicContact CZ2-CZ2 4.05Å; W207-W211 AromaticContact NE1-CD1 3.54Å; W207-W211 AromaticContact NE1-CD2 3.34Å; W207-W211 VanDerWaalsContact NE1-CD2 3.34Å; W207-W211 AromaticContact NE1-CE2 2.97Å; W207-W211 AromaticContact NE1-CG 3.7Å; W207-W211 AromaticContact NE1-CZ2 3.36Å; W207-W211 AromaticContact NE1-NE1 3.09Å; W207-W211 PolarHBondContact O-N 3.17Å |
| 208 | N | 84.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.2 | -46.6 | 177 | 172.5 | 72.8 | 0 | 0 | 0 | 111.5 | A204 H205 N210 W211 Q212 R285 L289 Q290 | A204-N208 VanDerWaalsContact O-CB 3.3Å; A204-N208 WeakPolarHBondContact O-CB 3.37Å; A204-N208 PolarHBondContact O-N 2.92Å; H205-N208 PolarHBondContact O-N 3.13Å; N208-N210 PolarHBondContact O-N 2.96Å; N208-W211 PolarHBondContact O-N 3.29Å; N208-Q212 WeakPolarHBondContact O-CB 3.49Å; N208-Q212 WeakPolarHBondContact O-CG 3.08Å; N208-Q212 PolarHBondContact O-N 3.45Å; N208-R285 PolarHBondContact ND2-O 2.94Å; N208-L289 HydrophobicContact CB-CB 4.39Å; N208-Q290 HydrophobicContact CB-CB 3.81Å; N208-Q290 HydrophobicContact CB-CG 4.13Å |
| 209 | K | 82.6 | Confident | 80 | Confident | 49 Ų | 49 | 48.7 Ų | 48.7 | 21% | 0.213 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.2 | -48.4 | 176.5 | 168.8 | 168.5 | 177.3 | -178.8 | 0 | 112.7 | H205 S206 W207 T213 | H205-K209 VanDerWaalsContact O-CB 3.28Å; H205-K209 WeakPolarHBondContact O-CB 3.36Å; H205-K209 PolarHBondContact O-N 3.28Å; S206-K209 PolarHBondContact O-N 2.9Å; W207-K209 VanDerWaalsContact C-N 3.32Å; W207-K209 PolarHBondContact O-N 3.3Å; K209-T213 PolarHBondContact O-N 2.82Å; K209-T213 PolarHBondContact O-OG1 2.68Å |
| 210 | N | 80 | Confident | 80.9 | Confident | 93 Ų | 93 | 52.6 Ų | 52.6 | 50% | 0.497 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | -177.7 | -70.8 | -10.5 | 0 | 0 | 0 | 112 | S206 W207 N208 T213 G214 | S206-N210 WeakPolarHBondContact O-CB 3.33Å; S206-N210 PolarHBondContact O-N 2.74Å; S206-N210 PolarHBondContact O-ND2 3.21Å; S206-N210 PolarHBondContact O-OD1 3.29Å; W207-N210 PolarHBondContact O-N 2.68Å; N208-N210 PolarHBondContact O-N 2.96Å; N210-T213 VanDerWaalsContact C-OG1 3.32Å; N210-T213 WeakPolarHBondContact CA-OG1 3.47Å; N210-T213 PolarHBondContact O-N 3.29Å; N210-T213 PolarHBondContact O-OG1 3.43Å; N210-G214 PolarHBondContact O-N 3.46Å |
| 211 | W | 81.6 | Confident | 81.7 | Confident | 65 Ų | 65 | 55.9 Ų | 55.9 | 25% | 0.246 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -75.7 | -34.4 | 179.9 | -78.7 | 32.5 | 0 | 0 | 0 | 112.2 | W207 N208 T213 G214 A215 W221 A224 V225 A228 L289 | W207-W211 AromaticContact CD1-CD1 3.41Å; W207-W211 VanDerWaalsContact CD1-CD1 3.41Å; W207-W211 AromaticContact CD1-CD2 3.81Å; W207-W211 AromaticContact CD1-CE2 3.72Å; W207-W211 AromaticContact CD1-CG 3.64Å; W207-W211 AromaticContact CD1-NE1 3.44Å; W207-W211 HydrophobicContact CZ2-CH2 4.37Å; W207-W211 HydrophobicContact CZ2-CZ2 4.05Å; W207-W211 AromaticContact NE1-CD1 3.54Å; W207-W211 AromaticContact NE1-CD2 3.34Å; W207-W211 VanDerWaalsContact NE1-CD2 3.34Å; W207-W211 AromaticContact NE1-CE2 2.97Å; W207-W211 AromaticContact NE1-CG 3.7Å; W207-W211 AromaticContact NE1-CZ2 3.36Å; W207-W211 AromaticContact NE1-NE1 3.09Å; W207-W211 PolarHBondContact O-N 3.17Å; N208-W211 PolarHBondContact O-N 3.29Å; W211-T213 VanDerWaalsContact C-N 3.28Å; W211-T213 PolarHBondContact O-N 3.21Å; W211-G214 PolarHBondContact O-N 2.92Å; W211-A215 WeakPolarHBondContact O-CB 2.97Å; W211-A215 PolarHBondContact O-N 3.42Å; W211-W221 AromaticContact CD1-CZ3 3.83Å; W211-W221 HydrophobicContact CD2-CE3 4.29Å; W211-W221 AromaticContact CD2-CZ3 3.93Å; W211-W221 HydrophobicContact CD2-CZ3 3.93Å; W211-W221 AromaticContact CE2-CZ3 3.76Å; W211-W221 HydrophobicContact CG-CE3 4.28Å; W211-W221 AromaticContact CG-CZ3 3.98Å; W211-W221 HydrophobicContact CG-CZ3 3.98Å; W211-W221 HydrophobicContact CZ2-CZ3 4.38Å; W211-W221 AromaticContact NE1-CZ3 3.7Å; W211-A224 HydrophobicContact CE3-CB 4.33Å; W211-A224 HydrophobicContact CZ3-CB 3.93Å; W211-V225 HydrophobicContact CB-CG2 3.62Å; W211-V225 HydrophobicContact CE3-CG2 3.95Å; W211-A228 HydrophobicContact CZ3-CB 3.97Å; W211-L289 HydrophobicContact CB-CD2 4.4Å; W211-L289 HydrophobicContact CE3-CD2 4.22Å |
| 212 | Q | 83.1 | Confident | 82.3 | Confident | 63 Ų | 63 | 61.3 Ų | 61.3 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.4 | -32.5 | 172.6 | -72.5 | -73.1 | -10.6 | 0 | 0 | 112 | N208 A215 A216 | N208-Q212 WeakPolarHBondContact O-CB 3.49Å; N208-Q212 WeakPolarHBondContact O-CG 3.08Å; N208-Q212 PolarHBondContact O-N 3.45Å; Q212-A215 PolarHBondContact O-N 3.21Å; Q212-A216 PolarHBondContact O-N 3.15Å; Q212-A216 VanDerWaalsContact O-N 3.12Å |
| 213 | T | 83.6 | Confident | 83.2 | Confident | 56 Ų | 56 | 65 Ų | 65 | 34% | 0.344 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 172.4 | 42.7 | 0 | 0 | 0 | 0 | 112.7 | K209 N210 W211 | K209-T213 PolarHBondContact O-N 2.82Å; K209-T213 PolarHBondContact O-OG1 2.68Å; N210-T213 VanDerWaalsContact C-OG1 3.32Å; N210-T213 WeakPolarHBondContact CA-OG1 3.47Å; N210-T213 PolarHBondContact O-N 3.29Å; N210-T213 PolarHBondContact O-OG1 3.43Å; W211-T213 VanDerWaalsContact C-N 3.28Å; W211-T213 PolarHBondContact O-N 3.21Å |
| 214 | G | 83.3 | Confident | 84 | Confident | 11 Ų | 11 | 64.6 Ų | 64.6 | 11% | 0.113 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N210 W211 A216 Q217 D218 | N210-G214 PolarHBondContact O-N 3.46Å; W211-G214 PolarHBondContact O-N 2.92Å; G214-A216 PolarHBondContact O-N 2.72Å; G214-Q217 PolarHBondContact O-N 3.46Å; G214-D218 PolarHBondContact O-N 2.94Å |
| 215 | A | 85.6 | Confident | 84.6 | Confident | 16 Ų | 16 | 64.9 Ų | 64.9 | 13% | 0.132 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.9 | -23 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | W211 Q212 Q217 W221 F222 V225 | W211-A215 WeakPolarHBondContact O-CB 2.97Å; W211-A215 PolarHBondContact O-N 3.42Å; Q212-A215 PolarHBondContact O-N 3.21Å; A215-Q217 VanDerWaalsContact C-N 3.25Å; A215-W221 HydrophobicContact CB-CB 4.35Å; A215-F222 HydrophobicContact CB-CB 4.02Å; A215-F222 HydrophobicContact CB-CD2 4.42Å; A215-V225 HydrophobicContact CB-CG2 4.33Å |
| 216 | A | 83.5 | Confident | 85.2 | Confident | 88 Ų | 88 | 68.1 Ų | 68.1 | 73% | 0.727 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -19.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q212 G214 | Q212-A216 PolarHBondContact O-N 3.15Å; Q212-A216 VanDerWaalsContact O-N 3.12Å; G214-A216 PolarHBondContact O-N 2.72Å |
| 217 | Q | 85.3 | Confident | 86.2 | Confident | 153 Ų | 153 | 71.7 Ų | 71.7 | 72% | 0.715 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -40.9 | -176.5 | -64.3 | 177.3 | -9.6 | 0 | 0 | 111.4 | G214 A215 | G214-Q217 PolarHBondContact O-N 3.46Å; A215-Q217 VanDerWaalsContact C-N 3.25Å |
| 218 | D | 89.2 | Confident | 86.7 | Confident | 83 Ų | 83 | 69.2 Ų | 69.2 | 44% | 0.444 | 38% | 0.383 | S | S | . | . | trans | -128 | 137 | -172.4 | -59.6 | -39.8 | 0 | 0 | 0 | 113.4 | G214 S220 W221 F222 | G214-D218 PolarHBondContact O-N 2.94Å; D218-S220 VanDerWaalsContact C-N 3.3Å; D218-S220 PolarHBondContact O-N 3.25Å; D218-W221 HydrophobicContact CB-CB 4.44Å; D218-W221 PolarHBondContact O-N 3.46Å; D218-F222 PolarHBondContact O-N 2.86Å | ||
| 219 | C | 89.9 | Confident | 87.2 | Confident | 107 Ų | 107 | 69.9 Ų | 69.9 | 72% | 0.723 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.8 | -33.4 | 176.8 | -168.8 | 0 | 0 | 0 | 0 | 112.7 | W221 F222 L223 | C219-W221 VanDerWaalsContact C-N 3.33Å; C219-W221 PolarHBondContact O-N 3.21Å; C219-F222 WeakPolarHBondContact O-CB 3.12Å; C219-F222 PolarHBondContact O-N 3.12Å; C219-L223 PolarHBondContact O-N 3.41Å |
| 220 | S | 89.5 | Confident | 87.8 | Confident | 97 Ų | 97 | 72.5 Ų | 72.5 | 68% | 0.678 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.4 | -38.6 | 176.9 | -58 | 0 | 0 | 0 | 0 | 112.3 | D218 L223 A224 | D218-S220 VanDerWaalsContact C-N 3.3Å; D218-S220 PolarHBondContact O-N 3.25Å; S220-L223 PolarHBondContact O-N 3.1Å; S220-A224 WeakPolarHBondContact O-CB 3.35Å; S220-A224 PolarHBondContact O-N 3.22Å |
| 221 | W | 86.1 | Confident | 88.2 | Confident | 106 Ų | 106 | 70 Ų | 70 | 40% | 0.402 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.5 | -36.2 | 175.1 | -81.1 | 107.6 | 0 | 0 | 0 | 111.9 | W211 A215 D218 C219 A224 V225 | W211-W221 AromaticContact CD1-CZ3 3.83Å; W211-W221 HydrophobicContact CD2-CE3 4.29Å; W211-W221 AromaticContact CD2-CZ3 3.93Å; W211-W221 HydrophobicContact CD2-CZ3 3.93Å; W211-W221 AromaticContact CE2-CZ3 3.76Å; W211-W221 HydrophobicContact CG-CE3 4.28Å; W211-W221 AromaticContact CG-CZ3 3.98Å; W211-W221 HydrophobicContact CG-CZ3 3.98Å; W211-W221 HydrophobicContact CZ2-CZ3 4.38Å; W211-W221 AromaticContact NE1-CZ3 3.7Å; A215-W221 HydrophobicContact CB-CB 4.35Å; D218-W221 HydrophobicContact CB-CB 4.44Å; D218-W221 PolarHBondContact O-N 3.46Å; C219-W221 VanDerWaalsContact C-N 3.33Å; C219-W221 PolarHBondContact O-N 3.21Å; W221-A224 PolarHBondContact O-N 3.44Å; W221-V225 WeakPolarHBondContact O-CG2 3.49Å; W221-V225 PolarHBondContact O-N 2.84Å |
| 222 | F | 89.2 | Confident | 88.5 | Confident | 116 Ų | 116 | 69.1 Ų | 69.1 | 51% | 0.509 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 172.2 | -179.5 | -96.3 | 0 | 0 | 0 | 112 | A215 D218 C219 A224 V225 L226 | A215-F222 HydrophobicContact CB-CB 4.02Å; A215-F222 HydrophobicContact CB-CD2 4.42Å; D218-F222 PolarHBondContact O-N 2.86Å; C219-F222 WeakPolarHBondContact O-CB 3.12Å; C219-F222 PolarHBondContact O-N 3.12Å; F222-A224 VanDerWaalsContact C-N 3.32Å; F222-A224 PolarHBondContact O-N 3.15Å; F222-V225 PolarHBondContact O-N 3.09Å; F222-L226 PolarHBondContact O-N 3.24Å |
| 223 | L | 91.7 | Very high | 89.1 | Confident | 92 Ų | 92 | 69.1 Ų | 69.1 | 48% | 0.482 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 175 | -178.8 | 62.1 | 0 | 0 | 0 | 111.5 | C219 S220 V225 L226 L227 | C219-L223 PolarHBondContact O-N 3.41Å; S220-L223 PolarHBondContact O-N 3.1Å; L223-V225 PolarHBondContact O-N 3.19Å; L223-L226 PolarHBondContact O-N 3.43Å; L223-L227 HydrophobicContact CD1-CD1 4.13Å; L223-L227 HydrophobicContact CD1-CG 4.06Å; L223-L227 HydrophobicContact CG-CD1 3.96Å; L223-L227 HydrophobicContact CG-CG 4.3Å; L223-L227 WeakPolarHBondContact O-CB 3.49Å; L223-L227 WeakPolarHBondContact O-CG 3.3Å; L223-L227 PolarHBondContact O-N 2.87Å |
| 224 | A | 89.3 | Confident | 89.5 | Confident | 31 Ų | 31 | 69.3 Ų | 69.3 | 26% | 0.256 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W211 S220 W221 F222 L226 L227 A228 | W211-A224 HydrophobicContact CE3-CB 4.33Å; W211-A224 HydrophobicContact CZ3-CB 3.93Å; S220-A224 WeakPolarHBondContact O-CB 3.35Å; S220-A224 PolarHBondContact O-N 3.22Å; W221-A224 PolarHBondContact O-N 3.44Å; F222-A224 VanDerWaalsContact C-N 3.32Å; F222-A224 PolarHBondContact O-N 3.15Å; A224-L226 VanDerWaalsContact C-N 3.35Å; A224-L226 PolarHBondContact O-N 3.07Å; A224-L227 PolarHBondContact O-N 2.92Å; A224-A228 VanDerWaalsContact O-CB 3.25Å; A224-A228 WeakPolarHBondContact O-CB 3.43Å; A224-A228 PolarHBondContact O-N 2.92Å |
| 225 | V | 89.5 | Confident | 89.5 | Confident | 9 Ų | 9 | 74 Ų | 74 | 6% | 0.055 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 175 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | W211 A215 W221 F222 L223 T229 L289 | W211-V225 HydrophobicContact CB-CG2 3.62Å; W211-V225 HydrophobicContact CE3-CG2 3.95Å; A215-V225 HydrophobicContact CB-CG2 4.33Å; W221-V225 WeakPolarHBondContact O-CG2 3.49Å; W221-V225 PolarHBondContact O-N 2.84Å; F222-V225 PolarHBondContact O-N 3.09Å; L223-V225 PolarHBondContact O-N 3.19Å; V225-T229 VanDerWaalsContact O-CB 3.3Å; V225-T229 WeakPolarHBondContact O-CB 3.35Å; V225-T229 PolarHBondContact O-N 3.03Å; V225-T229 PolarHBondContact O-OG1 2.92Å; V225-L289 HydrophobicContact CG1-CB 4.36Å; V225-L289 HydrophobicContact CG1-CD2 4.33Å; V225-L289 HydrophobicContact CG2-CD2 4.45Å |
| 226 | L | 93 | Very high | 89.7 | Confident | 94 Ų | 94 | 73.7 Ų | 73.7 | 49% | 0.492 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.3 | -49.9 | 179.7 | -179.5 | 65.5 | 0 | 0 | 0 | 111.5 | F222 L223 A224 T229 L230 | F222-L226 PolarHBondContact O-N 3.24Å; L223-L226 PolarHBondContact O-N 3.43Å; A224-L226 VanDerWaalsContact C-N 3.35Å; A224-L226 PolarHBondContact O-N 3.07Å; L226-T229 PolarHBondContact O-N 3.44Å; L226-L230 WeakPolarHBondContact O-CB 3.47Å; L226-L230 PolarHBondContact O-N 3.33Å |
| 227 | L | 94.1 | Very high | 90.1 | Very high | 102 Ų | 102 | 71.1 Ų | 71.1 | 53% | 0.534 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 179.5 | -70.2 | 176.3 | 0 | 0 | 0 | 111.7 | L223 A224 L230 G231 | L223-L227 HydrophobicContact CD1-CD1 4.13Å; L223-L227 HydrophobicContact CD1-CG 4.06Å; L223-L227 HydrophobicContact CG-CD1 3.96Å; L223-L227 HydrophobicContact CG-CG 4.3Å; L223-L227 WeakPolarHBondContact O-CB 3.49Å; L223-L227 WeakPolarHBondContact O-CG 3.3Å; L223-L227 PolarHBondContact O-N 2.87Å; A224-L227 PolarHBondContact O-N 2.92Å; L227-L230 PolarHBondContact O-N 3.02Å; L227-G231 PolarHBondContact O-N 3.2Å |
| 228 | A | 86.9 | Confident | 90.1 | Very high | 22 Ų | 22 | 68.1 Ų | 68.1 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | W211 A224 L230 G231 F232 L289 | W211-A228 HydrophobicContact CZ3-CB 3.97Å; A224-A228 VanDerWaalsContact O-CB 3.25Å; A224-A228 WeakPolarHBondContact O-CB 3.43Å; A224-A228 PolarHBondContact O-N 2.92Å; A228-L230 PolarHBondContact O-N 3.38Å; A228-G231 PolarHBondContact O-N 3.31Å; A228-F232 HydrophobicContact CB-CE2 4.41Å; A228-F232 WeakPolarHBondContact O-CD2 3.14Å; A228-F232 PolarHBondContact O-N 3.36Å; A228-L289 HydrophobicContact CB-CD1 3.74Å |
| 229 | T | 94.3 | Very high | 89.9 | Confident | 14 Ų | 14 | 65.1 Ų | 65.1 | 9% | 0.086 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 177.6 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | V225 L226 F232 Y233 L288 L289 | V225-T229 VanDerWaalsContact O-CB 3.3Å; V225-T229 WeakPolarHBondContact O-CB 3.35Å; V225-T229 PolarHBondContact O-N 3.03Å; V225-T229 PolarHBondContact O-OG1 2.92Å; L226-T229 PolarHBondContact O-N 3.44Å; T229-F232 PolarHBondContact O-N 3.25Å; T229-Y233 HydrophobicContact CG2-CD2 3.84Å; T229-Y233 HydrophobicContact CG2-CE2 3.71Å; T229-Y233 WeakPolarHBondContact O-CD2 3.46Å; T229-Y233 PolarHBondContact O-N 3.03Å; T229-L288 HydrophobicContact CG2-CB 3.69Å; T229-L289 WeakPolarHBondContact OG1-CA 3.3Å; T229-L289 WeakPolarHBondContact OG1-CB 3.34Å |
| 230 | L | 95.7 | Very high | 90 | Very high | 105 Ų | 105 | 60.3 Ų | 60.3 | 55% | 0.55 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 177.7 | -178.1 | 64.3 | 0 | 0 | 0 | 111.6 | L226 L227 A228 Y233 S234 | L226-L230 WeakPolarHBondContact O-CB 3.47Å; L226-L230 PolarHBondContact O-N 3.33Å; L227-L230 PolarHBondContact O-N 3.02Å; A228-L230 PolarHBondContact O-N 3.38Å; L230-Y233 PolarHBondContact O-N 3.17Å; L230-S234 VanDerWaalsContact O-CB 3.27Å; L230-S234 WeakPolarHBondContact O-CB 3.37Å; L230-S234 PolarHBondContact O-N 3.4Å; L230-S234 PolarHBondContact O-OG 2.96Å |
| 231 | G | 88.8 | Confident | 90 | Very high | 39 Ų | 39 | 60.4 Ų | 60.4 | 40% | 0.402 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.8 | -48.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L227 A228 S234 M235 | L227-G231 PolarHBondContact O-N 3.2Å; A228-G231 PolarHBondContact O-N 3.31Å; G231-S234 PolarHBondContact O-N 2.84Å; G231-M235 WeakPolarHBondContact O-CB 3.2Å; G231-M235 PolarHBondContact O-N 3.13Å |
| 232 | F | 88.2 | Confident | 90 | Very high | 48 Ų | 48 | 59.4 Ų | 59.4 | 21% | 0.211 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 177.4 | -73.2 | -58.9 | 0 | 0 | 0 | 112.1 | A228 T229 S234 M235 A236 L289 S292 V293 C296 | A228-F232 HydrophobicContact CB-CE2 4.41Å; A228-F232 WeakPolarHBondContact O-CD2 3.14Å; A228-F232 PolarHBondContact O-N 3.36Å; T229-F232 PolarHBondContact O-N 3.25Å; F232-S234 VanDerWaalsContact C-N 3.29Å; F232-S234 PolarHBondContact O-N 3.21Å; F232-M235 HydrophobicContact CD1-CE 3.78Å; F232-M235 HydrophobicContact CE1-CE 4.2Å; F232-M235 PolarHBondContact O-N 3.43Å; F232-A236 PolarHBondContact O-N 3.08Å; F232-L289 HydrophobicContact CD2-CD1 4.04Å; F232-L289 HydrophobicContact CE2-CD1 4.2Å; F232-S292 WeakPolarHBondContact CB-OG 3.34Å; F232-V293 HydrophobicContact CD1-CG2 4.38Å; F232-V293 HydrophobicContact CD2-CG2 3.67Å; F232-V293 HydrophobicContact CE1-CG2 4.36Å; F232-V293 HydrophobicContact CE2-CG2 3.64Å; F232-V293 HydrophobicContact CG-CG2 4.09Å; F232-V293 HydrophobicContact CZ-CG2 4.01Å; F232-C296 VanDerWaalsContact C-SG 3.57Å; F232-C296 PolarHBondContact O-SG 3.26Å |
| 233 | Y | 95.2 | Very high | 89.9 | Confident | 63 Ų | 63 | 54.2 Ų | 54.2 | 25% | 0.247 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.5 | -37 | 176 | -79.6 | -52.7 | 0 | 0 | 0 | 113 | T229 L230 A236 G237 S271 L288 A291 | T229-Y233 HydrophobicContact CG2-CD2 3.84Å; T229-Y233 HydrophobicContact CG2-CE2 3.71Å; T229-Y233 WeakPolarHBondContact O-CD2 3.46Å; T229-Y233 PolarHBondContact O-N 3.03Å; L230-Y233 PolarHBondContact O-N 3.17Å; Y233-A236 PolarHBondContact O-N 2.87Å; Y233-G237 PolarHBondContact O-N 2.71Å; Y233-S271 WeakPolarHBondContact CE1-OG 2.91Å; Y233-S271 WeakPolarHBondContact OH-CB 3.46Å; Y233-S271 PolarHBondContact OH-OG 3.1Å; Y233-L288 HydrophobicContact CE2-CB 4.44Å; Y233-L288 HydrophobicContact CE2-CD2 4.38Å; Y233-A291 WeakPolarHBondContact OH-CB 3.23Å |
| 234 | S | 91.6 | Very high | 89.8 | Confident | 60 Ų | 60 | 53.3 Ų | 53.3 | 42% | 0.42 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 175.2 | -58.8 | 0 | 0 | 0 | 0 | 111 | L230 G231 F232 A236 G237 V238 | L230-S234 VanDerWaalsContact O-CB 3.27Å; L230-S234 WeakPolarHBondContact O-CB 3.37Å; L230-S234 PolarHBondContact O-N 3.4Å; L230-S234 PolarHBondContact O-OG 2.96Å; G231-S234 PolarHBondContact O-N 2.84Å; F232-S234 VanDerWaalsContact C-N 3.29Å; F232-S234 PolarHBondContact O-N 3.21Å; S234-A236 PolarHBondContact O-N 3.5Å; S234-G237 PolarHBondContact O-N 2.9Å; S234-V238 WeakPolarHBondContact O-CB 3.46Å; S234-V238 WeakPolarHBondContact O-CG2 3.28Å; S234-V238 PolarHBondContact O-N 3.33Å |
| 235 | M | 84.1 | Confident | 89.7 | Confident | 109 Ų | 109 | 60.3 Ų | 60.3 | 54% | 0.537 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 175.7 | -177.4 | 169.3 | 64 | 0 | 0 | 112 | G231 F232 G239 C296 | G231-M235 WeakPolarHBondContact O-CB 3.2Å; G231-M235 PolarHBondContact O-N 3.13Å; F232-M235 HydrophobicContact CD1-CE 3.78Å; F232-M235 HydrophobicContact CE1-CE 4.2Å; F232-M235 PolarHBondContact O-N 3.43Å; M235-G239 PolarHBondContact O-N 3.29Å; M235-C296 HydrophobicContact CE-CB 3.95Å; M235-C296 WeakPolarHBondContact CE-SG 3.46Å |
| 236 | A | 88 | Confident | 89.3 | Confident | 9 Ų | 9 | 65.8 Ų | 65.8 | 7% | 0.074 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F232 Y233 S234 G239 A240 M299 | F232-A236 PolarHBondContact O-N 3.08Å; Y233-A236 PolarHBondContact O-N 2.87Å; S234-A236 PolarHBondContact O-N 3.5Å; A236-G239 PolarHBondContact O-N 3.47Å; A236-A240 WeakPolarHBondContact O-CB 3.24Å; A236-A240 PolarHBondContact O-N 3.07Å; A236-M299 HydrophobicContact CB-CG 4.01Å |
| 237 | G | 91.8 | Very high | 88.8 | Confident | 35 Ų | 35 | 62.1 Ų | 62.1 | 36% | 0.361 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.6 | -47.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y233 S234 G239 A240 V241 | Y233-G237 PolarHBondContact O-N 2.71Å; S234-G237 PolarHBondContact O-N 2.9Å; G237-G239 VanDerWaalsContact C-N 3.34Å; G237-G239 PolarHBondContact O-N 2.76Å; G237-A240 WeakPolarHBondContact O-CB 3.21Å; G237-A240 PolarHBondContact O-N 2.71Å; G237-V241 WeakPolarHBondContact O-CG2 3.43Å; G237-V241 PolarHBondContact O-N 2.74Å |
| 238 | V | 86.5 | Confident | 88.5 | Confident | 89 Ų | 89 | 58.5 Ų | 58.5 | 54% | 0.539 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 174 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | S234 A240 V241 L242 | S234-V238 WeakPolarHBondContact O-CB 3.46Å; S234-V238 WeakPolarHBondContact O-CG2 3.28Å; S234-V238 PolarHBondContact O-N 3.33Å; V238-A240 VanDerWaalsContact C-N 3.31Å; V238-A240 PolarHBondContact O-N 3.32Å; V238-V241 PolarHBondContact O-N 2.8Å; V238-L242 HydrophobicContact CG1-CD1 3.92Å; V238-L242 HydrophobicContact CG1-CG 4.31Å; V238-L242 VanDerWaalsContact O-CG 3.28Å; V238-L242 WeakPolarHBondContact O-CG 3.42Å; V238-L242 PolarHBondContact O-N 2.98Å |
| 239 | G | 84.2 | Confident | 88.3 | Confident | 21 Ų | 21 | 60.8 Ų | 60.8 | 22% | 0.216 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -54.7 | -46.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M235 A236 G237 V241 L242 L243 | M235-G239 PolarHBondContact O-N 3.29Å; A236-G239 PolarHBondContact O-N 3.47Å; G237-G239 VanDerWaalsContact C-N 3.34Å; G237-G239 PolarHBondContact O-N 2.76Å; G239-V241 PolarHBondContact O-N 2.94Å; G239-L242 PolarHBondContact O-N 2.86Å; G239-L243 VanDerWaalsContact O-CG 3.27Å; G239-L243 WeakPolarHBondContact O-CG 3.41Å; G239-L243 PolarHBondContact O-N 2.96Å |
| 240 | A | 91.7 | Very high | 87.6 | Confident | 6 Ų | 6 | 65.6 Ų | 65.6 | 5% | 0.05 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A236 G237 V238 L242 L243 F244 L264 M299 | A236-A240 WeakPolarHBondContact O-CB 3.24Å; A236-A240 PolarHBondContact O-N 3.07Å; G237-A240 WeakPolarHBondContact O-CB 3.21Å; G237-A240 PolarHBondContact O-N 2.71Å; V238-A240 VanDerWaalsContact C-N 3.31Å; V238-A240 PolarHBondContact O-N 3.32Å; A240-L242 PolarHBondContact O-N 3.26Å; A240-L243 PolarHBondContact O-N 3.27Å; A240-F244 WeakPolarHBondContact O-CD2 3.44Å; A240-F244 PolarHBondContact O-N 3.44Å; A240-L264 HydrophobicContact CB-CD1 4.23Å; A240-L264 HydrophobicContact CB-CD2 3.78Å; A240-L264 HydrophobicContact CB-CG 4.49Å; A240-M299 HydrophobicContact CB-SD 3.86Å |
| 241 | V | 90.6 | Very high | 86.7 | Confident | 99 Ų | 99 | 64 Ų | 64 | 60% | 0.6 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61 | -45.3 | 176.7 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | G237 V238 G239 L243 F244 R245 | G237-V241 WeakPolarHBondContact O-CG2 3.43Å; G237-V241 PolarHBondContact O-N 2.74Å; V238-V241 PolarHBondContact O-N 2.8Å; G239-V241 PolarHBondContact O-N 2.94Å; V241-L243 VanDerWaalsContact C-N 3.33Å; V241-L243 PolarHBondContact O-N 3.29Å; V241-F244 PolarHBondContact O-N 2.97Å; V241-R245 VanDerWaalsContact O-CB 3.31Å; V241-R245 WeakPolarHBondContact O-CB 3.3Å; V241-R245 PolarHBondContact O-N 3.22Å |
| 242 | L | 86.8 | Confident | 86.3 | Confident | 85 Ų | 85 | 63.1 Ų | 63.1 | 45% | 0.445 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 176.7 | -64.9 | 171.5 | 0 | 0 | 0 | 111 | V238 G239 A240 R245 Y246 | V238-L242 HydrophobicContact CG1-CD1 3.92Å; V238-L242 HydrophobicContact CG1-CG 4.31Å; V238-L242 VanDerWaalsContact O-CG 3.28Å; V238-L242 WeakPolarHBondContact O-CG 3.42Å; V238-L242 PolarHBondContact O-N 2.98Å; G239-L242 PolarHBondContact O-N 2.86Å; A240-L242 PolarHBondContact O-N 3.26Å; L242-R245 PolarHBondContact O-N 3.29Å; L242-Y246 HydrophobicContact CB-CD2 4.29Å; L242-Y246 HydrophobicContact CD2-CD2 4.4Å; L242-Y246 HydrophobicContact CD2-CE2 3.79Å; L242-Y246 WeakPolarHBondContact O-CB 3.43Å; L242-Y246 WeakPolarHBondContact O-CD2 3.31Å; L242-Y246 PolarHBondContact O-N 3.39Å |
| 243 | L | 86.7 | Confident | 86.1 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 176.9 | -71.2 | 178.5 | 0 | 0 | 0 | 112.3 | G239 A240 V241 R245 Y247 L260 T302 F303 L306 | G239-L243 VanDerWaalsContact O-CG 3.27Å; G239-L243 WeakPolarHBondContact O-CG 3.41Å; G239-L243 PolarHBondContact O-N 2.96Å; A240-L243 PolarHBondContact O-N 3.27Å; V241-L243 VanDerWaalsContact C-N 3.33Å; V241-L243 PolarHBondContact O-N 3.29Å; L243-R245 VanDerWaalsContact C-N 3.31Å; L243-R245 PolarHBondContact O-N 3.25Å; L243-Y247 HydrophobicContact CD2-CD2 3.64Å; L243-Y247 HydrophobicContact CD2-CE2 3.92Å; L243-Y247 HydrophobicContact CD2-CG 4.45Å; L243-Y247 WeakPolarHBondContact O-CA 3.43Å; L243-Y247 WeakPolarHBondContact O-CB 3.47Å; L243-Y247 PolarHBondContact O-N 3.47Å; L243-L260 HydrophobicContact CB-CD1 4.1Å; L243-L260 HydrophobicContact CB-CD2 3.7Å; L243-L260 HydrophobicContact CD1-CD1 3.9Å; L243-T302 HydrophobicContact CD1-CG2 4.08Å; L243-F303 HydrophobicContact CD1-CB 4.25Å; L243-F303 HydrophobicContact CD2-CB 3.88Å; L243-F303 HydrophobicContact CD2-CD2 3.81Å; L243-F303 HydrophobicContact CD2-CG 4.34Å; L243-L306 HydrophobicContact CD2-CD1 4.15Å |
| 244 | F | 89.8 | Confident | 85.8 | Confident | 73 Ų | 73 | 64.3 Ų | 64.3 | 32% | 0.32 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 173 | -86.5 | -65.6 | 0 | 0 | 0 | 111.5 | A240 V241 T248 L260 L264 | A240-F244 WeakPolarHBondContact O-CD2 3.44Å; A240-F244 PolarHBondContact O-N 3.44Å; V241-F244 PolarHBondContact O-N 2.97Å; F244-T248 HydrophobicContact CD1-CG2 4Å; F244-T248 PolarHBondContact O-N 3.03Å; F244-T248 PolarHBondContact O-OG1 3.47Å; F244-L260 HydrophobicContact CB-CD2 4.26Å; F244-L260 HydrophobicContact CD1-CD2 3.66Å; F244-L260 HydrophobicContact CD2-CD2 3.48Å; F244-L260 VanDerWaalsContact CD2-CD2 3.48Å; F244-L260 HydrophobicContact CD2-CG 4.14Å; F244-L260 HydrophobicContact CE1-CB 4.44Å; F244-L260 HydrophobicContact CE1-CD2 3.74Å; F244-L260 HydrophobicContact CE1-CG 4.18Å; F244-L260 HydrophobicContact CE2-CD2 3.59Å; F244-L260 HydrophobicContact CE2-CG 3.75Å; F244-L260 HydrophobicContact CG-CD2 3.5Å; F244-L260 HydrophobicContact CZ-CB 4.25Å; F244-L260 HydrophobicContact CZ-CD2 3.71Å; F244-L260 HydrophobicContact CZ-CG 3.75Å; F244-L264 HydrophobicContact CE2-CD1 3.55Å; F244-L264 HydrophobicContact CZ-CD1 4.22Å |
| 245 | R | 86.3 | Confident | 85.7 | Confident | 177 Ų | 177 | 64.3 Ų | 64.3 | 67% | 0.668 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -68.7 | -37.3 | -175.5 | -177.4 | 61.2 | -177.6 | 88.6 | -3.7 | 114 | V241 L242 L243 | V241-R245 VanDerWaalsContact O-CB 3.31Å; V241-R245 WeakPolarHBondContact O-CB 3.3Å; V241-R245 PolarHBondContact O-N 3.22Å; L242-R245 PolarHBondContact O-N 3.29Å; L243-R245 VanDerWaalsContact C-N 3.31Å; L243-R245 PolarHBondContact O-N 3.25Å |
| 246 | Y | 81.7 | Confident | 86 | Confident | 124 Ų | 124 | 59.1 Ų | 59.1 | 49% | 0.486 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -105.5 | -28.8 | -171.9 | -68.1 | -66.1 | 0 | 0 | 0 | 114.2 | L242 L325 | L242-Y246 HydrophobicContact CB-CD2 4.29Å; L242-Y246 HydrophobicContact CD2-CD2 4.4Å; L242-Y246 HydrophobicContact CD2-CE2 3.79Å; L242-Y246 WeakPolarHBondContact O-CB 3.43Å; L242-Y246 WeakPolarHBondContact O-CD2 3.31Å; L242-Y246 PolarHBondContact O-N 3.39Å; Y246-L325 CarbonylContact O-C 3.52Å |
| 247 | Y | 82.8 | Confident | 86.2 | Confident | 17 Ų | 17 | 61.4 Ų | 61.4 | 7% | 0.067 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -107.8 | 1.6 | -176.3 | -70.4 | -91.4 | 0 | 0 | 0 | 113.5 | L243 N256 F303 L306 S307 C324 P326 | L243-Y247 HydrophobicContact CD2-CD2 3.64Å; L243-Y247 HydrophobicContact CD2-CE2 3.92Å; L243-Y247 HydrophobicContact CD2-CG 4.45Å; L243-Y247 WeakPolarHBondContact O-CA 3.43Å; L243-Y247 WeakPolarHBondContact O-CB 3.47Å; L243-Y247 PolarHBondContact O-N 3.47Å; Y247-N256 WeakPolarHBondContact O-CB 3.47Å; Y247-N256 PolarHBondContact O-ND2 3.47Å; Y247-F303 HydrophobicContact CE2-CD2 4.14Å; Y247-F303 HydrophobicContact CE2-CE2 4.19Å; Y247-L306 HydrophobicContact CD1-CB 3.75Å; Y247-L306 HydrophobicContact CE1-CB 4.09Å; Y247-L306 HydrophobicContact CG-CB 4.16Å; Y247-L306 HydrophobicContact CG-CD1 4.35Å; Y247-S307 PolarHBondContact OH-OG 3.42Å; Y247-C324 WeakPolarHBondContact CD1-O 2.91Å; Y247-P326 VanDerWaalsContact CE1-CD 3.44Å; Y247-P326 HydrophobicContact CE1-CG 4.2Å; Y247-P326 HydrophobicContact CE2-CG 4.18Å; Y247-P326 VanDerWaalsContact CZ-CD 3.46Å; Y247-P326 WeakPolarHBondContact OH-CG 3.06Å |
| 248 | T | 86.7 | Confident | 86.3 | Confident | 26 Ų | 26 | 65.3 Ų | 65.3 | 16% | 0.16 | 35% | 0.349 | C | S | . | . | trans | -127.7 | 154.6 | 174.3 | 82.7 | 0 | 0 | 0 | 0 | 111.8 | F244 N256 K257 | F244-T248 HydrophobicContact CD1-CG2 4Å; F244-T248 PolarHBondContact O-N 3.03Å; F244-T248 PolarHBondContact O-OG1 3.47Å; T248-N256 HydrophobicContact CG2-CB 4.15Å; T248-K257 HydrophobicContact CG2-CG 3.98Å | ||
| 249 | H | 83.1 | Confident | 86.7 | Confident | 70 Ų | 70 | 61.5 Ų | 61.5 | 32% | 0.324 | 33% | 0.326 | S | S | . | . | trans | -139.6 | 139.1 | 177.4 | -171.7 | -91.6 | 0 | 0 | 0 | 109.5 | A251 G252 K257 L323 | H249-A251 VanDerWaalsContact C-N 3.31Å; H249-A251 PolarHBondContact ND1-N 2.9Å; H249-A251 VanDerWaalsContact ND1-N 3.17Å; H249-A251 PolarHBondContact O-N 3.03Å; H249-G252 CarbonylContact O-C 3.49Å; H249-G252 PolarHBondContact O-N 3.35Å; H249-G252 VanDerWaalsContact O-N 3.09Å; H249-K257 WeakPolarHBondContact O-CE 3.5Å; H249-K257 PolarHBondContact O-NZ 2.89Å; H249-L323 HydrophobicContact CB-CD2 4.44Å | ||
| 250 | P | 80.3 | Confident | 87.2 | Confident | 115 Ų | 115 | 60.5 Ų | 60.5 | 75% | 0.747 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -44.6 | -178.3 | 18.4 | -31.5 | 0 | 0 | 0 | 112.7 | G252 K257 | P250-G252 VanDerWaalsContact C-N 3.28Å; P250-G252 PolarHBondContact O-N 3.48Å; P250-K257 PolarHBondContact O-NZ 3.24Å |
| 251 | A | 76.8 | Confident | 87.5 | Confident | 72 Ų | 72 | 62.9 Ų | 62.9 | 60% | 0.595 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 0.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | H249 L316 | H249-A251 VanDerWaalsContact C-N 3.31Å; H249-A251 PolarHBondContact ND1-N 2.9Å; H249-A251 VanDerWaalsContact ND1-N 3.17Å; H249-A251 PolarHBondContact O-N 3.03Å; A251-L316 HydrophobicContact CB-CD2 3.96Å |
| 252 | G | 79.4 | Confident | 87.8 | Confident | 21 Ų | 21 | 61.3 Ų | 61.3 | 22% | 0.216 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -163.8 | -154.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H249 P250 L254 K257 | H249-G252 CarbonylContact O-C 3.49Å; H249-G252 PolarHBondContact O-N 3.35Å; H249-G252 VanDerWaalsContact O-N 3.09Å; P250-G252 VanDerWaalsContact C-N 3.28Å; P250-G252 PolarHBondContact O-N 3.48Å; G252-L254 VanDerWaalsContact C-N 3.35Å; G252-L254 PolarHBondContact O-N 2.86Å; G252-K257 WeakPolarHBondContact O-CE 3.25Å; G252-K257 PolarHBondContact O-NZ 2.66Å |
| 253 | C | 83.9 | Confident | 88.3 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 8% | 0.081 | 30% | 0.299 | C | S | . | . | trans | 58.5 | 35.6 | 172.5 | -44.1 | 0 | 0 | 0 | 0 | 115.5 | L255 N256 K257 C324 | C253-L255 VanDerWaalsContact C-N 3.32Å; C253-L255 PolarHBondContact O-N 3.22Å; C253-N256 HydrophobicContact CB-CB 4.32Å; C253-N256 PolarHBondContact O-N 3.48Å; C253-N256 VanDerWaalsContact O-N 3.13Å; C253-K257 WeakPolarHBondContact O-CG 3.4Å; C253-K257 PolarHBondContact O-N 3.28Å; C253-C324 WeakPolarHBondContact CA-SG 3.36Å; C253-C324 HydrophobicContact CB-CB 3.86Å; C253-C324 WeakPolarHBondContact CB-SG 3.08Å; C253-C324 WeakPolarHBondContact SG-CA 3Å; C253-C324 WeakPolarHBondContact SG-CB 3.46Å; C253-C324 CovalentContact SG-SG 2.01Å; C253-C324 PolarHBondContact SG-SG 3.37Å | ||
| 254 | L | 88.3 | Confident | 88.8 | Confident | 124 Ų | 124 | 59.8 Ų | 59.8 | 65% | 0.649 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -55.5 | -45.2 | -175.5 | -176.4 | 63 | 0 | 0 | 0 | 112.3 | G252 N256 K257 M258 | G252-L254 VanDerWaalsContact C-N 3.35Å; G252-L254 PolarHBondContact O-N 2.86Å; L254-N256 VanDerWaalsContact C-N 3.34Å; L254-N256 PolarHBondContact O-N 3.08Å; L254-K257 WeakPolarHBondContact O-CB 3.23Å; L254-K257 PolarHBondContact O-N 2.95Å; L254-M258 HydrophobicContact CD1-CG 3.95Å; L254-M258 HydrophobicContact CD1-SD 4.36Å; L254-M258 HydrophobicContact CG-CG 4.15Å; L254-M258 VanDerWaalsContact O-CG 3.3Å; L254-M258 WeakPolarHBondContact O-CG 3.41Å; L254-M258 PolarHBondContact O-N 3.46Å |
| 255 | L | 89.7 | Confident | 89.1 | Confident | 60 Ų | 60 | 60.2 Ų | 60.2 | 31% | 0.314 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.3 | -46.8 | 177.7 | -179.6 | 62.5 | 0 | 0 | 0 | 112.3 | C253 K257 M258 L259 W463 F466 | C253-L255 VanDerWaalsContact C-N 3.32Å; C253-L255 PolarHBondContact O-N 3.22Å; L255-K257 VanDerWaalsContact C-N 3.34Å; L255-K257 PolarHBondContact O-N 2.87Å; L255-M258 PolarHBondContact O-N 3.42Å; L255-L259 VanDerWaalsContact O-CB 3.23Å; L255-L259 WeakPolarHBondContact O-CB 3.3Å; L255-L259 PolarHBondContact O-N 3.15Å; L255-W463 HydrophobicContact CD2-CH2 3.94Å; L255-W463 HydrophobicContact CD2-CZ3 3.77Å; L255-F466 HydrophobicContact CD2-CE1 4.27Å; L255-F466 HydrophobicContact CD2-CZ 4.04Å; L255-F466 HydrophobicContact CG-CZ 4.45Å |
| 256 | N | 91.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.8 | -40.6 | -179.6 | -65.8 | 15.1 | 0 | 0 | 0 | 111 | Y247 T248 C253 L254 L260 L306 R309 | Y247-N256 WeakPolarHBondContact O-CB 3.47Å; Y247-N256 PolarHBondContact O-ND2 3.47Å; T248-N256 HydrophobicContact CG2-CB 4.15Å; C253-N256 HydrophobicContact CB-CB 4.32Å; C253-N256 PolarHBondContact O-N 3.48Å; C253-N256 VanDerWaalsContact O-N 3.13Å; L254-N256 VanDerWaalsContact C-N 3.34Å; L254-N256 PolarHBondContact O-N 3.08Å; N256-L260 WeakPolarHBondContact O-CB 3.4Å; N256-L260 PolarHBondContact O-N 3.49Å; N256-L306 HydrophobicContact CB-CD2 3.89Å; N256-L306 VanDerWaalsContact CG-CD2 3.46Å; N256-R309 PolarHBondContact OD1-NH1 3.41Å |
| 257 | K | 91.6 | Very high | 90.4 | Very high | 57 Ų | 57 | 48.9 Ų | 48.9 | 25% | 0.248 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.8 | -50.3 | 176.6 | -68.6 | 171.1 | 179.1 | 165.6 | 0 | 111.5 | T248 H249 P250 G252 C253 L254 L255 S261 | T248-K257 HydrophobicContact CG2-CG 3.98Å; H249-K257 WeakPolarHBondContact O-CE 3.5Å; H249-K257 PolarHBondContact O-NZ 2.89Å; P250-K257 PolarHBondContact O-NZ 3.24Å; G252-K257 WeakPolarHBondContact O-CE 3.25Å; G252-K257 PolarHBondContact O-NZ 2.66Å; C253-K257 WeakPolarHBondContact O-CG 3.4Å; C253-K257 PolarHBondContact O-N 3.28Å; L254-K257 WeakPolarHBondContact O-CB 3.23Å; L254-K257 PolarHBondContact O-N 2.95Å; L255-K257 VanDerWaalsContact C-N 3.34Å; L255-K257 PolarHBondContact O-N 2.87Å; K257-S261 WeakPolarHBondContact O-CB 3.45Å; K257-S261 PolarHBondContact O-N 2.98Å; K257-S261 PolarHBondContact O-OG 3.28Å; K257-S261 VanDerWaalsContact O-OG 3.08Å |
| 258 | M | 94.6 | Very high | 91.1 | Very high | 116 Ų | 116 | 50.1 Ų | 50.1 | 57% | 0.571 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -66.1 | -40.6 | -178.1 | -65.6 | -58.9 | -73.1 | 0 | 0 | 111.9 | L254 L255 S261 L262 | L254-M258 HydrophobicContact CD1-CG 3.95Å; L254-M258 HydrophobicContact CD1-SD 4.36Å; L254-M258 HydrophobicContact CG-CG 4.15Å; L254-M258 VanDerWaalsContact O-CG 3.3Å; L254-M258 WeakPolarHBondContact O-CG 3.41Å; L254-M258 PolarHBondContact O-N 3.46Å; L255-M258 PolarHBondContact O-N 3.42Å; M258-S261 WeakPolarHBondContact CA-OG 3.42Å; M258-S261 PolarHBondContact O-OG 3.24Å; M258-L262 VanDerWaalsContact O-CB 3.23Å; M258-L262 WeakPolarHBondContact O-CB 3.3Å; M258-L262 PolarHBondContact O-N 3.49Å |
| 259 | L | 95.4 | Very high | 91.5 | Very high | 10 Ų | 10 | 52.3 Ų | 52.3 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.6 | -45.5 | 178.4 | -176.2 | 67.1 | 0 | 0 | 0 | 111.5 | L255 L262 H263 L306 F466 V470 W474 | L255-L259 VanDerWaalsContact O-CB 3.23Å; L255-L259 WeakPolarHBondContact O-CB 3.3Å; L255-L259 PolarHBondContact O-N 3.15Å; L259-L262 PolarHBondContact O-N 2.92Å; L259-H263 WeakPolarHBondContact CD1-NE2 3.43Å; L259-H263 PolarHBondContact O-N 2.95Å; L259-L306 HydrophobicContact CD2-CD2 4.41Å; L259-F466 HydrophobicContact CD2-CE2 4.17Å; L259-F466 HydrophobicContact CD2-CZ 3.78Å; L259-V470 HydrophobicContact CD1-CG1 3.84Å; L259-V470 HydrophobicContact CD1-CG2 4.28Å; L259-V470 HydrophobicContact CD2-CG2 3.66Å; L259-W474 HydrophobicContact CD1-CZ2 4.4Å |
| 260 | L | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 179.6 | -176.1 | 58.4 | 0 | 0 | 0 | 111.6 | L243 F244 N256 H263 L264 M299 T302 | L243-L260 HydrophobicContact CB-CD1 4.1Å; L243-L260 HydrophobicContact CB-CD2 3.7Å; L243-L260 HydrophobicContact CD1-CD1 3.9Å; F244-L260 HydrophobicContact CB-CD2 4.26Å; F244-L260 HydrophobicContact CD1-CD2 3.66Å; F244-L260 HydrophobicContact CD2-CD2 3.48Å; F244-L260 VanDerWaalsContact CD2-CD2 3.48Å; F244-L260 HydrophobicContact CD2-CG 4.14Å; F244-L260 HydrophobicContact CE1-CB 4.44Å; F244-L260 HydrophobicContact CE1-CD2 3.74Å; F244-L260 HydrophobicContact CE1-CG 4.18Å; F244-L260 HydrophobicContact CE2-CD2 3.59Å; F244-L260 HydrophobicContact CE2-CG 3.75Å; F244-L260 HydrophobicContact CG-CD2 3.5Å; F244-L260 HydrophobicContact CZ-CB 4.25Å; F244-L260 HydrophobicContact CZ-CD2 3.71Å; F244-L260 HydrophobicContact CZ-CG 3.75Å; N256-L260 WeakPolarHBondContact O-CB 3.4Å; N256-L260 PolarHBondContact O-N 3.49Å; L260-H263 PolarHBondContact O-N 3.43Å; L260-L264 WeakPolarHBondContact O-CG 3.33Å; L260-L264 PolarHBondContact O-N 3.48Å; L260-M299 HydrophobicContact CD1-SD 4.46Å; L260-T302 HydrophobicContact CD1-CG2 3.86Å |
| 261 | S | 96.2 | Very high | 92.8 | Very high | 55 Ų | 55 | 44.3 Ų | 44.3 | 39% | 0.385 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 175.2 | 65 | 0 | 0 | 0 | 0 | 112.1 | K257 M258 L264 C265 | K257-S261 WeakPolarHBondContact O-CB 3.45Å; K257-S261 PolarHBondContact O-N 2.98Å; K257-S261 PolarHBondContact O-OG 3.28Å; K257-S261 VanDerWaalsContact O-OG 3.08Å; M258-S261 WeakPolarHBondContact CA-OG 3.42Å; M258-S261 PolarHBondContact O-OG 3.24Å; S261-L264 PolarHBondContact O-N 3.49Å; S261-C265 WeakPolarHBondContact O-CB 3.37Å; S261-C265 PolarHBondContact O-N 2.96Å |
| 262 | L | 97.4 | Very high | 93.7 | Very high | 67 Ų | 67 | 47.3 Ų | 47.3 | 35% | 0.351 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 175 | 178.7 | 65.3 | 0 | 0 | 0 | 111.7 | M258 L259 L264 C265 F266 | M258-L262 VanDerWaalsContact O-CB 3.23Å; M258-L262 WeakPolarHBondContact O-CB 3.3Å; M258-L262 PolarHBondContact O-N 3.49Å; L259-L262 PolarHBondContact O-N 2.92Å; L262-L264 VanDerWaalsContact C-N 3.33Å; L262-L264 PolarHBondContact O-N 3.33Å; L262-C265 VanDerWaalsContact O-CB 3.31Å; L262-C265 WeakPolarHBondContact O-CB 3.48Å; L262-C265 PolarHBondContact O-N 3.44Å; L262-C265 VanDerWaalsContact O-N 3.15Å; L262-F266 HydrophobicContact CD1-CE1 3.93Å; L262-F266 HydrophobicContact CD1-CE2 3.98Å; L262-F266 HydrophobicContact CD1-CZ 3.59Å; L262-F266 HydrophobicContact CD2-CE2 3.99Å; L262-F266 HydrophobicContact CD2-CZ 4.15Å; L262-F266 HydrophobicContact CG-CD2 4.24Å; L262-F266 HydrophobicContact CG-CE1 4.5Å; L262-F266 HydrophobicContact CG-CE2 3.66Å; L262-F266 HydrophobicContact CG-CZ 3.81Å; L262-F266 PolarHBondContact O-N 3.25Å |
| 263 | H | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 179.8 | -70.2 | -179.5 | 0 | 0 | 0 | 112.5 | L259 L260 F266 C267 I298 M299 T302 C473 W474 | L259-H263 WeakPolarHBondContact CD1-NE2 3.43Å; L259-H263 PolarHBondContact O-N 2.95Å; L260-H263 PolarHBondContact O-N 3.43Å; H263-F266 PolarHBondContact O-N 3.47Å; H263-C267 PolarHBondContact O-N 2.7Å; H263-C267 PolarHBondContact O-SG 2.91Å; H263-I298 HydrophobicContact CB-CG2 3.93Å; H263-M299 HydrophobicContact CB-CE 4.02Å; H263-T302 PolarHBondContact ND1-OG1 3.42Å; H263-C473 VanDerWaalsContact CE1-SG 3.59Å; H263-W474 AromaticContact CD2-NE1 3.91Å; H263-W474 AromaticContact NE2-CD1 3.63Å; H263-W474 AromaticContact NE2-NE1 3.16Å; H263-W474 PolarHBondContact NE2-NE1 3.08Å; H263-W474 VanDerWaalsContact NE2-NE1 3.16Å |
| 264 | L | 97.3 | Very high | 94.7 | Very high | 60 Ų | 60 | 47.3 Ų | 47.3 | 31% | 0.314 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66 | -38.1 | 171.3 | -73.2 | 172.5 | 0 | 0 | 0 | 112.6 | A240 F244 L260 S261 L262 F266 C267 G268 M299 | A240-L264 HydrophobicContact CB-CD1 4.23Å; A240-L264 HydrophobicContact CB-CD2 3.78Å; A240-L264 HydrophobicContact CB-CG 4.49Å; F244-L264 HydrophobicContact CE2-CD1 3.55Å; F244-L264 HydrophobicContact CZ-CD1 4.22Å; L260-L264 WeakPolarHBondContact O-CG 3.33Å; L260-L264 PolarHBondContact O-N 3.48Å; S261-L264 PolarHBondContact O-N 3.49Å; L262-L264 VanDerWaalsContact C-N 3.33Å; L262-L264 PolarHBondContact O-N 3.33Å; L264-F266 VanDerWaalsContact C-N 3.33Å; L264-C267 PolarHBondContact O-N 3.48Å; L264-G268 PolarHBondContact O-N 2.77Å; L264-M299 HydrophobicContact CD2-CE 3.98Å; L264-M299 HydrophobicContact CD2-SD 3.92Å; L264-M299 HydrophobicContact CG-CE 4.32Å |
| 265 | C | 97.4 | Very high | 94.8 | Very high | 82 Ų | 82 | 45.3 Ų | 45.3 | 55% | 0.554 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.6 | -44.1 | 172.5 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | S261 L262 G268 L269 | S261-C265 WeakPolarHBondContact O-CB 3.37Å; S261-C265 PolarHBondContact O-N 2.96Å; L262-C265 VanDerWaalsContact O-CB 3.31Å; L262-C265 WeakPolarHBondContact O-CB 3.48Å; L262-C265 PolarHBondContact O-N 3.44Å; L262-C265 VanDerWaalsContact O-N 3.15Å; C265-G268 PolarHBondContact O-N 3.43Å; C265-L269 WeakPolarHBondContact O-CB 3.28Å; C265-L269 PolarHBondContact O-N 3.38Å |
| 266 | F | 97.3 | Very high | 94.9 | Very high | 50 Ų | 50 | 43.1 Ų | 43.1 | 22% | 0.219 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 173.6 | -66.5 | -30.4 | 0 | 0 | 0 | 112.5 | L262 H263 L264 G268 L269 I270 W474 V477 | L262-F266 HydrophobicContact CD1-CE1 3.93Å; L262-F266 HydrophobicContact CD1-CE2 3.98Å; L262-F266 HydrophobicContact CD1-CZ 3.59Å; L262-F266 HydrophobicContact CD2-CE2 3.99Å; L262-F266 HydrophobicContact CD2-CZ 4.15Å; L262-F266 HydrophobicContact CG-CD2 4.24Å; L262-F266 HydrophobicContact CG-CE1 4.5Å; L262-F266 HydrophobicContact CG-CE2 3.66Å; L262-F266 HydrophobicContact CG-CZ 3.81Å; L262-F266 PolarHBondContact O-N 3.25Å; H263-F266 PolarHBondContact O-N 3.47Å; L264-F266 VanDerWaalsContact C-N 3.33Å; F266-G268 VanDerWaalsContact C-N 3.32Å; F266-G268 PolarHBondContact O-N 3.46Å; F266-L269 PolarHBondContact O-N 3.42Å; F266-I270 WeakPolarHBondContact O-CG1 3.46Å; F266-I270 WeakPolarHBondContact O-CG2 3.35Å; F266-I270 PolarHBondContact O-N 2.9Å; F266-W474 AromaticContact CE2-CD1 3.94Å; F266-V477 HydrophobicContact CB-CG1 4.23Å; F266-V477 HydrophobicContact CB-CG2 4.03Å; F266-V477 HydrophobicContact CD1-CG1 4.37Å; F266-V477 HydrophobicContact CD2-CG1 4.38Å; F266-V477 HydrophobicContact CD2-CG2 4.09Å; F266-V477 HydrophobicContact CG-CG1 4.1Å; F266-V477 HydrophobicContact CG-CG2 4.28Å |
| 267 | C | 97.1 | Very high | 94.7 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 8% | 0.081 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.1 | -44 | 174.2 | -67.7 | 0 | 0 | 0 | 0 | 112 | H263 L264 I270 S271 | H263-C267 PolarHBondContact O-N 2.7Å; H263-C267 PolarHBondContact O-SG 2.91Å; L264-C267 PolarHBondContact O-N 3.48Å; C267-I270 VanDerWaalsContact O-CG1 3.23Å; C267-I270 WeakPolarHBondContact O-CG1 3.28Å; C267-S271 WeakPolarHBondContact O-CB 3.37Å; C267-S271 PolarHBondContact O-N 3.05Å; C267-S271 VanDerWaalsContact O-N 3.13Å; C267-S271 PolarHBondContact O-OG 3.28Å |
| 268 | G | 96.6 | Very high | 94.4 | Very high | 43 Ų | 43 | 48.7 Ų | 48.7 | 44% | 0.443 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L264 C265 F266 S271 F272 | L264-G268 PolarHBondContact O-N 2.77Å; C265-G268 PolarHBondContact O-N 3.43Å; F266-G268 VanDerWaalsContact C-N 3.32Å; F266-G268 PolarHBondContact O-N 3.46Å; G268-S271 PolarHBondContact O-N 2.92Å; G268-F272 WeakPolarHBondContact O-CB 3.47Å; G268-F272 PolarHBondContact O-N 3.44Å |
| 269 | L | 96.1 | Very high | 93.9 | Very high | 72 Ų | 72 | 43.4 Ų | 43.4 | 38% | 0.377 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.3 | -49.7 | 179.1 | 178.2 | 63.4 | 0 | 0 | 0 | 112 | C265 F266 S271 F272 L273 | C265-L269 WeakPolarHBondContact O-CB 3.28Å; C265-L269 PolarHBondContact O-N 3.38Å; F266-L269 PolarHBondContact O-N 3.42Å; L269-S271 VanDerWaalsContact C-N 3.26Å; L269-S271 PolarHBondContact O-N 2.89Å; L269-F272 PolarHBondContact O-N 3.27Å; L269-L273 HydrophobicContact CD1-CD1 3.92Å; L269-L273 HydrophobicContact CD1-CG 4.09Å; L269-L273 HydrophobicContact CG-CD1 3.98Å; L269-L273 HydrophobicContact CG-CG 4.48Å; L269-L273 WeakPolarHBondContact O-CB 3.43Å; L269-L273 WeakPolarHBondContact O-CG 3.21Å; L269-L273 PolarHBondContact O-N 2.98Å |
| 270 | I | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -34.3 | 179.6 | 66.2 | 177.8 | 0 | 0 | 0 | 111.6 | F266 C267 S274 I294 I298 Y480 L481 | F266-I270 WeakPolarHBondContact O-CG1 3.46Å; F266-I270 WeakPolarHBondContact O-CG2 3.35Å; F266-I270 PolarHBondContact O-N 2.9Å; C267-I270 VanDerWaalsContact O-CG1 3.23Å; C267-I270 WeakPolarHBondContact O-CG1 3.28Å; I270-S274 WeakPolarHBondContact O-CB 3.39Å; I270-S274 PolarHBondContact O-N 2.92Å; I270-S274 PolarHBondContact O-OG 2.95Å; I270-I294 HydrophobicContact CD1-CB 4.24Å; I270-I294 HydrophobicContact CD1-CG2 3.78Å; I270-I298 HydrophobicContact CD1-CD1 3.85Å; I270-Y480 HydrophobicContact CB-CD1 3.83Å; I270-Y480 HydrophobicContact CB-CE1 3.75Å; I270-Y480 HydrophobicContact CD1-CD1 4.49Å; I270-Y480 HydrophobicContact CG2-CD1 3.82Å; I270-Y480 HydrophobicContact CG2-CE1 4.27Å; I270-L481 HydrophobicContact CG2-CD2 3.95Å; I270-L481 HydrophobicContact CG2-CG 4.26Å |
| 271 | S | 95.6 | Very high | 92.9 | Very high | 18 Ų | 18 | 56.3 Ų | 56.3 | 13% | 0.126 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67 | -46.8 | 176.7 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | Y233 C267 G268 L269 S274 | Y233-S271 WeakPolarHBondContact CE1-OG 2.91Å; Y233-S271 WeakPolarHBondContact OH-CB 3.46Å; Y233-S271 PolarHBondContact OH-OG 3.1Å; C267-S271 WeakPolarHBondContact O-CB 3.37Å; C267-S271 PolarHBondContact O-N 3.05Å; C267-S271 VanDerWaalsContact O-N 3.13Å; C267-S271 PolarHBondContact O-OG 3.28Å; G268-S271 PolarHBondContact O-N 2.92Å; L269-S271 VanDerWaalsContact C-N 3.26Å; L269-S271 PolarHBondContact O-N 2.89Å; S271-S274 PolarHBondContact O-N 3.08Å |
| 272 | F | 94.9 | Very high | 92.2 | Very high | 135 Ų | 135 | 60 Ų | 60 | 59% | 0.592 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60 | -49.7 | 175.8 | 173.3 | -100 | 0 | 0 | 0 | 111.8 | G268 L269 S274 I275 A276 | G268-F272 WeakPolarHBondContact O-CB 3.47Å; G268-F272 PolarHBondContact O-N 3.44Å; L269-F272 PolarHBondContact O-N 3.27Å; F272-S274 VanDerWaalsContact C-N 3.28Å; F272-S274 PolarHBondContact O-N 3.38Å; F272-I275 VanDerWaalsContact O-CG1 3.22Å; F272-I275 WeakPolarHBondContact O-CG1 3.27Å; F272-I275 PolarHBondContact O-N 2.92Å; F272-A276 PolarHBondContact O-N 3.05Å; F272-A276 VanDerWaalsContact O-N 3.1Å |
| 273 | L | 92.6 | Very high | 91.4 | Very high | 32 Ų | 32 | 57.7 Ų | 57.7 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.9 | -35.3 | 179.2 | -69.3 | 176.3 | 0 | 0 | 0 | 112.1 | L269 I275 A276 I279 L481 L484 | L269-L273 HydrophobicContact CD1-CD1 3.92Å; L269-L273 HydrophobicContact CD1-CG 4.09Å; L269-L273 HydrophobicContact CG-CD1 3.98Å; L269-L273 HydrophobicContact CG-CG 4.48Å; L269-L273 WeakPolarHBondContact O-CB 3.43Å; L269-L273 WeakPolarHBondContact O-CG 3.21Å; L269-L273 PolarHBondContact O-N 2.98Å; L273-I275 PolarHBondContact O-N 2.99Å; L273-A276 WeakPolarHBondContact O-CB 3.29Å; L273-A276 PolarHBondContact O-N 2.97Å; L273-A276 VanDerWaalsContact O-N 3.17Å; L273-I279 HydrophobicContact CB-CD1 3.81Å; L273-I279 HydrophobicContact CD2-CD1 4.1Å; L273-I279 HydrophobicContact CG-CD1 4.5Å; L273-I279 WeakPolarHBondContact O-CD1 3.4Å; L273-L481 HydrophobicContact CD1-CD2 3.45Å; L273-L481 VanDerWaalsContact CD1-CD2 3.45Å; L273-L484 HydrophobicContact CB-CD1 4.22Å |
| 274 | S | 91.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.1 | -24.5 | 179.8 | -61.8 | 0 | 0 | 0 | 0 | 113.6 | I270 S271 F272 S286 A291 Y480 | I270-S274 WeakPolarHBondContact O-CB 3.39Å; I270-S274 PolarHBondContact O-N 2.92Å; I270-S274 PolarHBondContact O-OG 2.95Å; S271-S274 PolarHBondContact O-N 3.08Å; F272-S274 VanDerWaalsContact C-N 3.28Å; F272-S274 PolarHBondContact O-N 3.38Å; S274-S286 PolarHBondContact O-OG 3.33Å; S274-A291 WeakPolarHBondContact OG-CB 3.37Å; S274-Y480 PolarHBondContact OG-OH 3.43Å |
| 275 | I | 92 | Very high | 89.1 | Confident | 83 Ų | 83 | 65 Ų | 65 | 43% | 0.426 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -105.1 | -7.2 | 176.4 | 61.4 | 171.3 | 0 | 0 | 0 | 114 | F272 L273 R280 L288 | F272-I275 VanDerWaalsContact O-CG1 3.22Å; F272-I275 WeakPolarHBondContact O-CG1 3.27Å; F272-I275 PolarHBondContact O-N 2.92Å; L273-I275 PolarHBondContact O-N 2.99Å; I275-R280 WeakPolarHBondContact O-CD 3.48Å; I275-L288 HydrophobicContact CG2-CD1 3.91Å; I275-L288 HydrophobicContact CG2-CD2 3.6Å; I275-L288 HydrophobicContact CG2-CG 3.44Å; I275-L288 VanDerWaalsContact CG2-CG 3.44Å |
| 276 | A | 90.3 | Very high | 88.4 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 11% | 0.107 | 32% | 0.323 | C | S | . | . | trans | -57 | 130.2 | -176 | 0 | 0 | 0 | 0 | 0 | 110.8 | F272 L273 C278 I279 R280 | F272-A276 PolarHBondContact O-N 3.05Å; F272-A276 VanDerWaalsContact O-N 3.1Å; L273-A276 WeakPolarHBondContact O-CB 3.29Å; L273-A276 PolarHBondContact O-N 2.97Å; L273-A276 VanDerWaalsContact O-N 3.17Å; A276-C278 PolarHBondContact O-N 2.98Å; A276-I279 HydrophobicContact CB-CD1 4.37Å; A276-I279 PolarHBondContact O-N 3.47Å; A276-R280 PolarHBondContact O-N 3.44Å | ||
| 277 | P | 86.9 | Confident | 88 | Confident | 100 Ų | 100 | 59.3 Ų | 59.3 | 65% | 0.649 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -55 | -40.3 | -177.3 | -27.5 | 34.2 | 0 | 0 | 0 | 113.1 | I279 R280 L281 | P277-I279 VanDerWaalsContact C-N 3.32Å; P277-I279 PolarHBondContact O-N 3.22Å; P277-R280 PolarHBondContact O-N 3.37Å; P277-L281 VanDerWaalsContact O-CG 3.23Å; P277-L281 WeakPolarHBondContact O-CG 3.49Å; P277-L281 PolarHBondContact O-N 2.86Å |
| 278 | C | 85.3 | Confident | 87.8 | Confident | 75 Ų | 75 | 61.8 Ų | 61.8 | 51% | 0.507 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -50.5 | -47.9 | 174.7 | 165.9 | 0 | 0 | 0 | 0 | 112.9 | A276 L488 | A276-C278 PolarHBondContact O-N 2.98Å; C278-L488 VanDerWaalsContact SG-CD2 3.57Å |
| 279 | I | 85.6 | Confident | 87.4 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -74.8 | -45.1 | -178.2 | -71.3 | 166.2 | 0 | 0 | 0 | 109.9 | L273 A276 P277 L281 K282 Q283 L484 L485 L488 | L273-I279 HydrophobicContact CB-CD1 3.81Å; L273-I279 HydrophobicContact CD2-CD1 4.1Å; L273-I279 HydrophobicContact CG-CD1 4.5Å; L273-I279 WeakPolarHBondContact O-CD1 3.4Å; A276-I279 HydrophobicContact CB-CD1 4.37Å; A276-I279 PolarHBondContact O-N 3.47Å; P277-I279 VanDerWaalsContact C-N 3.32Å; P277-I279 PolarHBondContact O-N 3.22Å; I279-L281 PolarHBondContact O-N 3.4Å; I279-K282 PolarHBondContact O-N 2.84Å; I279-Q283 PolarHBondContact O-N 3.29Å; I279-L484 HydrophobicContact CD1-CB 4.5Å; I279-L484 HydrophobicContact CG2-CD2 4.24Å; I279-L485 HydrophobicContact CD1-CD2 4.18Å; I279-L488 HydrophobicContact CG1-CD1 3.74Å |
| 280 | R | 84.5 | Confident | 87.1 | Confident | 132 Ų | 132 | 56.6 Ų | 56.6 | 50% | 0.498 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.2 | -28.3 | -178.8 | -69.4 | -173.3 | 65.4 | -144.2 | -2.1 | 113.7 | I275 A276 P277 K282 Q283 P284 | I275-R280 WeakPolarHBondContact O-CD 3.48Å; A276-R280 PolarHBondContact O-N 3.44Å; P277-R280 PolarHBondContact O-N 3.37Å; R280-K282 VanDerWaalsContact C-N 3.32Å; R280-K282 PolarHBondContact O-N 3.43Å; R280-Q283 CarbonylContact O-C 3.36Å; R280-P284 WeakPolarHBondContact O-CA 3.17Å |
| 281 | L | 84.1 | Confident | 87.1 | Confident | 149 Ų | 149 | 56.6 Ų | 56.6 | 78% | 0.78 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65.4 | -33.8 | 174.4 | -75.3 | 169 | 0 | 0 | 0 | 112.8 | P277 I279 | P277-L281 VanDerWaalsContact O-CG 3.23Å; P277-L281 WeakPolarHBondContact O-CG 3.49Å; P277-L281 PolarHBondContact O-N 2.86Å; I279-L281 PolarHBondContact O-N 3.4Å |
| 282 | K | 82.4 | Confident | 87 | Confident | 131 Ų | 131 | 55.7 Ų | 55.7 | 57% | 0.57 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -92.5 | -29.5 | 177.5 | -65.6 | -67.9 | -172.2 | 173 | 0 | 112.5 | I279 R280 P487 L488 | I279-K282 PolarHBondContact O-N 2.84Å; R280-K282 VanDerWaalsContact C-N 3.32Å; R280-K282 PolarHBondContact O-N 3.43Å; K282-P487 HydrophobicContact CB-CB 4.12Å; K282-L488 HydrophobicContact CB-CD2 4.48Å; K282-L488 HydrophobicContact CG-CD2 3.87Å |
| 283 | Q | 79.2 | Confident | 86.5 | Confident | 20 Ų | 20 | 50.1 Ų | 50.1 | 9% | 0.093 | 26% | 0.261 | C | S | . | . | trans | -132 | 80 | -178.5 | -164.2 | 177.2 | 7.3 | 0 | 0 | 109.9 | H205 I279 R280 R285 S286 | H205-Q283 PolarHBondContact CE1-NE2 3.1Å; I279-Q283 PolarHBondContact O-N 3.29Å; R280-Q283 CarbonylContact O-C 3.36Å; Q283-R285 PolarHBondContact O-N 3.43Å; Q283-S286 WeakPolarHBondContact O-CB 3.3Å; Q283-S286 PolarHBondContact O-N 3.47Å | ||
| 284 | P | 74 | Confident | 86.3 | Confident | 98 Ų | 98 | 48.6 Ų | 48.6 | 64% | 0.636 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.4 | -172.4 | 24.3 | -34.5 | 0 | 0 | 0 | 114.1 | R280 | R280-P284 WeakPolarHBondContact O-CA 3.17Š|
| 285 | R | 72.5 | Confident | 86.3 | Confident | 116 Ų | 116 | 48.7 Ų | 48.7 | 44% | 0.438 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -0 | 177.7 | -62.1 | -165.8 | 172.3 | 136.6 | -11.8 | 114 | N208 Q283 | N208-R285 PolarHBondContact ND2-O 2.94Å; Q283-R285 PolarHBondContact O-N 3.43Å |
| 286 | S | 83.1 | Confident | 86 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | trans | -61.5 | 135.9 | 168.2 | -178.4 | 0 | 0 | 0 | 0 | 110 | S274 Q283 Q290 | S274-S286 PolarHBondContact O-OG 3.33Å; Q283-S286 WeakPolarHBondContact O-CB 3.3Å; Q283-S286 PolarHBondContact O-N 3.47Å; S286-Q290 PolarHBondContact OG-NE2 2.93Å | ||
| 287 | G | 87.4 | Confident | 85.7 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 6% | 0.062 | 24% | 0.238 | C | C | . | . | trans | -153.7 | 168.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q290 | G287-Q290 WeakPolarHBondContact O-CG 3.21Š| ||
| 288 | L | 93.2 | Very high | 85.8 | Confident | 64 Ų | 64 | 41.4 Ų | 41.4 | 34% | 0.335 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -73.5 | -23.6 | -179 | -74.6 | 168.1 | 0 | 0 | 0 | 113.7 | T229 Y233 I275 A291 S292 | T229-L288 HydrophobicContact CG2-CB 3.69Å; Y233-L288 HydrophobicContact CE2-CB 4.44Å; Y233-L288 HydrophobicContact CE2-CD2 4.38Å; I275-L288 HydrophobicContact CG2-CD1 3.91Å; I275-L288 HydrophobicContact CG2-CD2 3.6Å; I275-L288 HydrophobicContact CG2-CG 3.44Å; I275-L288 VanDerWaalsContact CG2-CG 3.44Å; L288-A291 PolarHBondContact O-N 3.34Å; L288-S292 WeakPolarHBondContact O-CB 3.27Å; L288-S292 PolarHBondContact O-N 3.07Å; L288-S292 PolarHBondContact O-OG 3.2Å |
| 289 | L | 88.6 | Confident | 85.9 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.2 | -44.3 | -178.5 | 178.5 | 60.4 | 0 | 0 | 0 | 111.9 | N208 W211 V225 A228 T229 F232 A291 S292 V293 | N208-L289 HydrophobicContact CB-CB 4.39Å; W211-L289 HydrophobicContact CB-CD2 4.4Å; W211-L289 HydrophobicContact CE3-CD2 4.22Å; V225-L289 HydrophobicContact CG1-CB 4.36Å; V225-L289 HydrophobicContact CG1-CD2 4.33Å; V225-L289 HydrophobicContact CG2-CD2 4.45Å; A228-L289 HydrophobicContact CB-CD1 3.74Å; T229-L289 WeakPolarHBondContact OG1-CA 3.3Å; T229-L289 WeakPolarHBondContact OG1-CB 3.34Å; F232-L289 HydrophobicContact CD2-CD1 4.04Å; F232-L289 HydrophobicContact CE2-CD1 4.2Å; L289-A291 VanDerWaalsContact C-N 3.34Å; L289-A291 PolarHBondContact O-N 3.28Å; L289-S292 PolarHBondContact O-N 2.89Å; L289-S292 PolarHBondContact O-OG 3.46Å; L289-V293 WeakPolarHBondContact O-CG2 3.4Å; L289-V293 PolarHBondContact O-N 3.13Å |
| 290 | Q | 89.6 | Confident | 85.7 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64 | -40.4 | 174 | 52.3 | 172.5 | 22.2 | 0 | 0 | 111.6 | A204 H205 N208 S286 G287 S292 V293 I294 Y480 | A204-Q290 HydrophobicContact CB-CB 4.25Å; H205-Q290 PolarHBondContact ND1-OE1 3.49Å; N208-Q290 HydrophobicContact CB-CB 3.81Å; N208-Q290 HydrophobicContact CB-CG 4.13Å; S286-Q290 PolarHBondContact OG-NE2 2.93Å; G287-Q290 WeakPolarHBondContact O-CG 3.21Å; Q290-S292 PolarHBondContact O-N 3.32Å; Q290-V293 PolarHBondContact O-N 3.34Å; Q290-I294 VanDerWaalsContact O-CG1 3.28Å; Q290-I294 WeakPolarHBondContact O-CG1 3.3Å; Q290-I294 PolarHBondContact O-N 3.02Å; Q290-I294 VanDerWaalsContact O-N 3.08Å; Q290-Y480 HydrophobicContact CG-CE2 4.47Å; Q290-Y480 WeakPolarHBondContact CG-OH 3.48Å; Q290-Y480 PolarHBondContact NE2-OH 2.94Å |
| 291 | A | 94.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.2 | -36.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y233 S274 L288 L289 S295 | Y233-A291 WeakPolarHBondContact OH-CB 3.23Å; S274-A291 WeakPolarHBondContact OG-CB 3.37Å; L288-A291 PolarHBondContact O-N 3.34Å; L289-A291 VanDerWaalsContact C-N 3.34Å; L289-A291 PolarHBondContact O-N 3.28Å; A291-S295 WeakPolarHBondContact O-CB 3.39Å; A291-S295 PolarHBondContact O-N 3.45Å; A291-S295 PolarHBondContact O-OG 3.13Å |
| 292 | S | 93.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.6 | -40.9 | 177.3 | 68 | 0 | 0 | 0 | 0 | 112 | F232 L288 L289 Q290 S295 C296 | F232-S292 WeakPolarHBondContact CB-OG 3.34Å; L288-S292 WeakPolarHBondContact O-CB 3.27Å; L288-S292 PolarHBondContact O-N 3.07Å; L288-S292 PolarHBondContact O-OG 3.2Å; L289-S292 PolarHBondContact O-N 2.89Å; L289-S292 PolarHBondContact O-OG 3.46Å; Q290-S292 PolarHBondContact O-N 3.32Å; S292-S295 WeakPolarHBondContact O-CB 3.46Å; S292-S295 PolarHBondContact O-N 3.4Å; S292-C296 PolarHBondContact O-N 2.88Å; S292-C296 PolarHBondContact O-SG 3.11Å |
| 293 | V | 85.7 | Confident | 85.8 | Confident | 18 Ų | 18 | 24.8 Ų | 24.8 | 11% | 0.109 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.4 | -46.3 | 173.6 | 172 | 0 | 0 | 0 | 0 | 111 | A204 F232 L289 Q290 S295 C296 Y297 | A204-V293 HydrophobicContact CB-CB 4.31Å; A204-V293 HydrophobicContact CB-CG1 4.03Å; F232-V293 HydrophobicContact CD1-CG2 4.38Å; F232-V293 HydrophobicContact CD2-CG2 3.67Å; F232-V293 HydrophobicContact CE1-CG2 4.36Å; F232-V293 HydrophobicContact CE2-CG2 3.64Å; F232-V293 HydrophobicContact CG-CG2 4.09Å; F232-V293 HydrophobicContact CZ-CG2 4.01Å; L289-V293 WeakPolarHBondContact O-CG2 3.4Å; L289-V293 PolarHBondContact O-N 3.13Å; Q290-V293 PolarHBondContact O-N 3.34Å; V293-S295 VanDerWaalsContact C-N 3.32Å; V293-S295 PolarHBondContact O-N 3.48Å; V293-C296 WeakPolarHBondContact O-CB 3.43Å; V293-C296 PolarHBondContact O-N 2.99Å; V293-Y297 PolarHBondContact O-N 2.94Å; V293-Y297 VanDerWaalsContact O-N 3.08Å |
| 294 | I | 88.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.1 | -37.8 | 177 | -62 | -63.3 | 0 | 0 | 0 | 111.2 | A204 I270 Q290 C296 Y297 I298 Y480 | A204-I294 HydrophobicContact CB-CD1 4.09Å; A204-I294 HydrophobicContact CB-CG1 4.26Å; I270-I294 HydrophobicContact CD1-CB 4.24Å; I270-I294 HydrophobicContact CD1-CG2 3.78Å; Q290-I294 VanDerWaalsContact O-CG1 3.28Å; Q290-I294 WeakPolarHBondContact O-CG1 3.3Å; Q290-I294 PolarHBondContact O-N 3.02Å; Q290-I294 VanDerWaalsContact O-N 3.08Å; I294-C296 PolarHBondContact O-N 3.35Å; I294-Y297 PolarHBondContact O-N 3.32Å; I294-Y297 VanDerWaalsContact O-N 3.15Å; I294-I298 HydrophobicContact CG2-CD1 4Å; I294-I298 HydrophobicContact CG2-CG1 4.43Å; I294-I298 WeakPolarHBondContact O-CG1 3.24Å; I294-I298 PolarHBondContact O-N 2.89Å; I294-Y480 HydrophobicContact CD1-CD2 4.46Å; I294-Y480 HydrophobicContact CG1-CD2 3.81Å; I294-Y480 HydrophobicContact CG1-CE2 3.95Å; I294-Y480 HydrophobicContact CG2-CG 4.41Å |
| 295 | S | 92.1 | Very high | 86.1 | Confident | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.007 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 175.1 | -61.5 | 0 | 0 | 0 | 0 | 112.3 | A291 S292 V293 Y297 I298 M299 | A291-S295 WeakPolarHBondContact O-CB 3.39Å; A291-S295 PolarHBondContact O-N 3.45Å; A291-S295 PolarHBondContact O-OG 3.13Å; S292-S295 WeakPolarHBondContact O-CB 3.46Å; S292-S295 PolarHBondContact O-N 3.4Å; V293-S295 VanDerWaalsContact C-N 3.32Å; V293-S295 PolarHBondContact O-N 3.48Å; S295-Y297 VanDerWaalsContact C-N 3.32Å; S295-Y297 PolarHBondContact O-N 3.43Å; S295-I298 PolarHBondContact O-N 3.28Å; S295-M299 WeakPolarHBondContact O-CG 3.42Å; S295-M299 PolarHBondContact O-N 3.32Å |
| 296 | C | 85.5 | Confident | 86.6 | Confident | 18 Ų | 18 | 14.1 Ų | 14.1 | 12% | 0.122 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.9 | -43.6 | 171.5 | -72.5 | 0 | 0 | 0 | 0 | 111.9 | F232 M235 S292 V293 I294 M299 Y300 | F232-C296 VanDerWaalsContact C-SG 3.57Å; F232-C296 PolarHBondContact O-SG 3.26Å; M235-C296 HydrophobicContact CE-CB 3.95Å; M235-C296 WeakPolarHBondContact CE-SG 3.46Å; S292-C296 PolarHBondContact O-N 2.88Å; S292-C296 PolarHBondContact O-SG 3.11Å; V293-C296 WeakPolarHBondContact O-CB 3.43Å; V293-C296 PolarHBondContact O-N 2.99Å; I294-C296 PolarHBondContact O-N 3.35Å; C296-M299 PolarHBondContact O-N 2.66Å; C296-Y300 PolarHBondContact O-N 2.84Å |
| 297 | Y | 83.6 | Confident | 86.4 | Confident | 25 Ų | 25 | 15.6 Ų | 15.6 | 10% | 0.098 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.7 | -38.9 | -179.9 | -175.4 | -114.4 | 0 | 0 | 0 | 112.4 | L197 I200 V293 I294 S295 M299 Y300 L301 | L197-Y297 HydrophobicContact CD2-CE1 3.53Å; I200-Y297 HydrophobicContact CD1-CD1 4.07Å; I200-Y297 HydrophobicContact CD1-CD2 3.42Å; I200-Y297 VanDerWaalsContact CD1-CD2 3.42Å; I200-Y297 HydrophobicContact CD1-CE1 4.31Å; I200-Y297 HydrophobicContact CD1-CE2 3.71Å; I200-Y297 HydrophobicContact CD1-CG 3.61Å; I200-Y297 HydrophobicContact CG2-CD1 4.3Å; I200-Y297 HydrophobicContact CG2-CE1 4.06Å; V293-Y297 PolarHBondContact O-N 2.94Å; V293-Y297 VanDerWaalsContact O-N 3.08Å; I294-Y297 PolarHBondContact O-N 3.32Å; I294-Y297 VanDerWaalsContact O-N 3.15Å; S295-Y297 VanDerWaalsContact C-N 3.32Å; S295-Y297 PolarHBondContact O-N 3.43Å; Y297-M299 VanDerWaalsContact C-N 3.34Å; Y297-M299 PolarHBondContact O-N 3.02Å; Y297-Y300 AromaticContact CD2-CD1 3.97Å; Y297-Y300 HydrophobicContact CD2-CD1 3.97Å; Y297-Y300 AromaticContact CE2-CD1 3.9Å; Y297-Y300 HydrophobicContact CE2-CD1 3.9Å; Y297-Y300 HydrophobicContact CE2-CE1 4.26Å; Y297-Y300 WeakPolarHBondContact O-CB 3.3Å; Y297-Y300 PolarHBondContact O-N 3.31Å; Y297-L301 HydrophobicContact CD1-CD1 3.99Å; Y297-L301 HydrophobicContact CD1-CG 4.39Å; Y297-L301 HydrophobicContact CE1-CD1 3.45Å; Y297-L301 VanDerWaalsContact CE1-CD1 3.45Å; Y297-L301 HydrophobicContact CE1-CG 3.99Å; Y297-L301 HydrophobicContact CE2-CD2 4.4Å; Y297-L301 HydrophobicContact CE2-CG 4.27Å; Y297-L301 PolarHBondContact O-N 3.42Å |
| 298 | I | 89.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.7 | -45.5 | 171.2 | -72.1 | 166.5 | 0 | 0 | 0 | 110.5 | H263 I270 I294 S295 Y300 L301 T302 V477 | H263-I298 HydrophobicContact CB-CG2 3.93Å; I270-I298 HydrophobicContact CD1-CD1 3.85Å; I294-I298 HydrophobicContact CG2-CD1 4Å; I294-I298 HydrophobicContact CG2-CG1 4.43Å; I294-I298 WeakPolarHBondContact O-CG1 3.24Å; I294-I298 PolarHBondContact O-N 2.89Å; S295-I298 PolarHBondContact O-N 3.28Å; I298-Y300 PolarHBondContact O-N 2.85Å; I298-L301 PolarHBondContact O-N 2.92Å; I298-T302 WeakPolarHBondContact O-CB 3.38Å; I298-T302 PolarHBondContact O-N 3.19Å; I298-T302 PolarHBondContact O-OG1 3.45Å; I298-V477 HydrophobicContact CD1-CG2 3.61Å; I298-V477 HydrophobicContact CG1-CG2 4.2Å |
| 299 | M | 87.2 | Confident | 85.2 | Confident | 10 Ų | 10 | 13.9 Ų | 13.9 | 5% | 0.049 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 176.2 | -69 | -62.4 | 97.9 | 0 | 0 | 112.3 | A236 A240 L260 H263 L264 S295 C296 Y297 T302 F303 | A236-M299 HydrophobicContact CB-CG 4.01Å; A240-M299 HydrophobicContact CB-SD 3.86Å; L260-M299 HydrophobicContact CD1-SD 4.46Å; H263-M299 HydrophobicContact CB-CE 4.02Å; L264-M299 HydrophobicContact CD2-CE 3.98Å; L264-M299 HydrophobicContact CD2-SD 3.92Å; L264-M299 HydrophobicContact CG-CE 4.32Å; S295-M299 WeakPolarHBondContact O-CG 3.42Å; S295-M299 PolarHBondContact O-N 3.32Å; C296-M299 PolarHBondContact O-N 2.66Å; Y297-M299 VanDerWaalsContact C-N 3.34Å; Y297-M299 PolarHBondContact O-N 3.02Å; M299-T302 WeakPolarHBondContact O-CB 3.34Å; M299-T302 PolarHBondContact O-N 2.7Å; M299-F303 PolarHBondContact O-N 3Å |
| 300 | Y | 81.6 | Confident | 84.7 | Confident | 63 Ų | 63 | 15 Ų | 15 | 25% | 0.247 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61 | -48.7 | 173.3 | 164.8 | -100.4 | 0 | 0 | 0 | 112.2 | C296 Y297 I298 T302 F303 S304 C351 | C296-Y300 PolarHBondContact O-N 2.84Å; Y297-Y300 AromaticContact CD2-CD1 3.97Å; Y297-Y300 HydrophobicContact CD2-CD1 3.97Å; Y297-Y300 AromaticContact CE2-CD1 3.9Å; Y297-Y300 HydrophobicContact CE2-CD1 3.9Å; Y297-Y300 HydrophobicContact CE2-CE1 4.26Å; Y297-Y300 WeakPolarHBondContact O-CB 3.3Å; Y297-Y300 PolarHBondContact O-N 3.31Å; I298-Y300 PolarHBondContact O-N 2.85Å; Y300-T302 VanDerWaalsContact C-N 3.26Å; Y300-T302 PolarHBondContact O-N 2.73Å; Y300-F303 PolarHBondContact O-N 3.44Å; Y300-S304 VanDerWaalsContact O-CB 3.3Å; Y300-S304 WeakPolarHBondContact O-CB 3.41Å; Y300-S304 PolarHBondContact O-N 3.26Å; Y300-C351 HydrophobicContact CE2-CB 3.54Å; Y300-C351 WeakPolarHBondContact CE2-SG 3.36Å; Y300-C351 VanDerWaalsContact OH-CB 3.3Å; Y300-C351 WeakPolarHBondContact OH-CB 3.47Å |
| 301 | L | 81.4 | Confident | 83.8 | Confident | 12 Ų | 12 | 17.5 Ų | 17.5 | 6% | 0.063 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.4 | -36.6 | 177.4 | -73.1 | -179.5 | 0 | 0 | 0 | 111.5 | L197 Y297 I298 S304 A305 C473 | L197-L301 HydrophobicContact CD2-CD1 4.48Å; Y297-L301 HydrophobicContact CD1-CD1 3.99Å; Y297-L301 HydrophobicContact CD1-CG 4.39Å; Y297-L301 HydrophobicContact CE1-CD1 3.45Å; Y297-L301 VanDerWaalsContact CE1-CD1 3.45Å; Y297-L301 HydrophobicContact CE1-CG 3.99Å; Y297-L301 HydrophobicContact CE2-CD2 4.4Å; Y297-L301 HydrophobicContact CE2-CG 4.27Å; Y297-L301 PolarHBondContact O-N 3.42Å; I298-L301 PolarHBondContact O-N 2.92Å; L301-S304 PolarHBondContact O-N 3.01Å; L301-A305 WeakPolarHBondContact O-CB 3.39Å; L301-A305 PolarHBondContact O-N 3.19Å; L301-C473 HydrophobicContact CB-CB 4.14Å; L301-C473 HydrophobicContact CD1-CB 4.06Å |
| 302 | T | 87.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.7 | -49.4 | 175 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | L243 L260 H263 I298 M299 Y300 S304 A305 L306 | L243-T302 HydrophobicContact CD1-CG2 4.08Å; L260-T302 HydrophobicContact CD1-CG2 3.86Å; H263-T302 PolarHBondContact ND1-OG1 3.42Å; I298-T302 WeakPolarHBondContact O-CB 3.38Å; I298-T302 PolarHBondContact O-N 3.19Å; I298-T302 PolarHBondContact O-OG1 3.45Å; M299-T302 WeakPolarHBondContact O-CB 3.34Å; M299-T302 PolarHBondContact O-N 2.7Å; Y300-T302 VanDerWaalsContact C-N 3.26Å; Y300-T302 PolarHBondContact O-N 2.73Å; T302-S304 VanDerWaalsContact C-N 3.32Å; T302-S304 PolarHBondContact O-N 3Å; T302-A305 PolarHBondContact O-N 3.45Å; T302-L306 HydrophobicContact CG2-CD1 4Å; T302-L306 HydrophobicContact CG2-CG 4.41Å; T302-L306 WeakPolarHBondContact O-CB 3.31Å; T302-L306 VanDerWaalsContact O-CG 3.26Å; T302-L306 WeakPolarHBondContact O-CG 3.35Å; T302-L306 PolarHBondContact O-N 3.49Å |
| 303 | F | 83.3 | Confident | 81.2 | Confident | 59 Ų | 59 | 31.4 Ų | 31.4 | 26% | 0.259 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -56.7 | -47.6 | 174.1 | 165.9 | -106.8 | 0 | 0 | 0 | 111.5 | L243 Y247 M299 Y300 A305 L306 S307 | L243-F303 HydrophobicContact CD1-CB 4.25Å; L243-F303 HydrophobicContact CD2-CB 3.88Å; L243-F303 HydrophobicContact CD2-CD2 3.81Å; L243-F303 HydrophobicContact CD2-CG 4.34Å; Y247-F303 HydrophobicContact CE2-CD2 4.14Å; Y247-F303 HydrophobicContact CE2-CE2 4.19Å; M299-F303 PolarHBondContact O-N 3Å; Y300-F303 PolarHBondContact O-N 3.44Å; F303-A305 VanDerWaalsContact C-N 3.32Å; F303-A305 PolarHBondContact O-N 3.48Å; F303-L306 PolarHBondContact O-N 2.88Å; F303-S307 WeakPolarHBondContact CE2-OG 3.06Å; F303-S307 WeakPolarHBondContact O-CB 3.11Å; F303-S307 PolarHBondContact O-N 3.26Å; F303-S307 PolarHBondContact O-OG 3.08Å |
| 304 | S | 77.6 | Confident | 80.3 | Confident | 9 Ų | 9 | 33.3 Ų | 33.3 | 6% | 0.063 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.9 | -38.5 | -179.1 | -168.1 | 0 | 0 | 0 | 0 | 111.8 | Y300 L301 T302 S308 K469 | Y300-S304 VanDerWaalsContact O-CB 3.3Å; Y300-S304 WeakPolarHBondContact O-CB 3.41Å; Y300-S304 PolarHBondContact O-N 3.26Å; L301-S304 PolarHBondContact O-N 3.01Å; T302-S304 VanDerWaalsContact C-N 3.32Å; T302-S304 PolarHBondContact O-N 3Å; S304-S308 PolarHBondContact O-N 3.34Å; S304-S308 PolarHBondContact O-OG 3.14Å; S304-K469 VanDerWaalsContact C-CD 3.48Å; S304-K469 WeakPolarHBondContact O-CD 3.43Å; S304-K469 PolarHBondContact O-NZ 3.47Å; S304-K469 WeakPolarHBondContact OG-CD 3.33Å; S304-K469 VanDerWaalsContact OG-CE 3.23Å; S304-K469 WeakPolarHBondContact OG-CE 3.45Å; S304-K469 PolarHBondContact OG-NZ 3.19Å |
| 305 | A | 82.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.3 | -54.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | L301 T302 F303 S307 S308 R309 F466 K469 V470 | L301-A305 WeakPolarHBondContact O-CB 3.39Å; L301-A305 PolarHBondContact O-N 3.19Å; T302-A305 PolarHBondContact O-N 3.45Å; F303-A305 VanDerWaalsContact C-N 3.32Å; F303-A305 PolarHBondContact O-N 3.48Å; A305-S307 VanDerWaalsContact C-N 3.25Å; A305-S307 PolarHBondContact O-N 3.2Å; A305-S308 WeakPolarHBondContact O-CA 3.01Å; A305-S308 PolarHBondContact O-N 2.82Å; A305-R309 PolarHBondContact O-N 3.26Å; A305-F466 HydrophobicContact CB-CD2 4.29Å; A305-F466 HydrophobicContact CB-CE2 4.47Å; A305-F466 VanDerWaalsContact O-CD2 3.27Å; A305-F466 WeakPolarHBondContact O-CD2 3.11Å; A305-K469 HydrophobicContact CB-CB 3.75Å; A305-V470 HydrophobicContact CB-CG2 3.86Å |
| 306 | L | 83.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.1 | -36.5 | -178.7 | -66.5 | 175.7 | 0 | 0 | 0 | 112.4 | L243 Y247 N256 L259 T302 F303 S308 R309 F466 | L243-L306 HydrophobicContact CD2-CD1 4.15Å; Y247-L306 HydrophobicContact CD1-CB 3.75Å; Y247-L306 HydrophobicContact CE1-CB 4.09Å; Y247-L306 HydrophobicContact CG-CB 4.16Å; Y247-L306 HydrophobicContact CG-CD1 4.35Å; N256-L306 HydrophobicContact CB-CD2 3.89Å; N256-L306 VanDerWaalsContact CG-CD2 3.46Å; L259-L306 HydrophobicContact CD2-CD2 4.41Å; T302-L306 HydrophobicContact CG2-CD1 4Å; T302-L306 HydrophobicContact CG2-CG 4.41Å; T302-L306 WeakPolarHBondContact O-CB 3.31Å; T302-L306 VanDerWaalsContact O-CG 3.26Å; T302-L306 WeakPolarHBondContact O-CG 3.35Å; T302-L306 PolarHBondContact O-N 3.49Å; F303-L306 PolarHBondContact O-N 2.88Å; L306-S308 VanDerWaalsContact C-N 3.25Å; L306-S308 PolarHBondContact O-N 3.32Å; L306-R309 WeakPolarHBondContact O-CB 3.42Å; L306-R309 PolarHBondContact O-N 3.01Å; L306-F466 HydrophobicContact CD2-CE2 4.28Å |
| 307 | S | 77.8 | Confident | 76.7 | Confident | 37 Ų | 37 | 50.2 Ų | 50.2 | 26% | 0.259 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.8 | -22.9 | 175.4 | -55.4 | 0 | 0 | 0 | 0 | 113.5 | Y247 F303 A305 | Y247-S307 PolarHBondContact OH-OG 3.42Å; F303-S307 WeakPolarHBondContact CE2-OG 3.06Å; F303-S307 WeakPolarHBondContact O-CB 3.11Å; F303-S307 PolarHBondContact O-N 3.26Å; F303-S307 PolarHBondContact O-OG 3.08Å; A305-S307 VanDerWaalsContact C-N 3.25Å; A305-S307 PolarHBondContact O-N 3.2Å |
| 308 | S | 76.1 | Confident | 75.8 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 0.3 | 178.2 | -64.2 | 0 | 0 | 0 | 0 | 113.1 | S304 A305 L306 G461 S462 K469 | S304-S308 PolarHBondContact O-N 3.34Å; S304-S308 PolarHBondContact O-OG 3.14Å; A305-S308 WeakPolarHBondContact O-CA 3.01Å; A305-S308 PolarHBondContact O-N 2.82Å; L306-S308 VanDerWaalsContact C-N 3.25Å; L306-S308 PolarHBondContact O-N 3.32Å; S308-G461 CarbonylContact O-C 3.58Å; S308-G461 VanDerWaalsContact O-CA 3.32Å; S308-G461 WeakPolarHBondContact O-CA 3.45Å; S308-S462 CarbonylContact O-C 3.58Å; S308-S462 PolarHBondContact O-N 3.31Å; S308-S462 VanDerWaalsContact O-O 3.08Å; S308-K469 PolarHBondContact OG-NZ 3.33Å |
| 309 | R | 80.4 | Confident | 74.3 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 6% | 0.057 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -70.7 | 136.5 | 177 | -171.9 | -178 | 173.2 | -165.9 | -10.4 | 110.3 | N256 A305 L306 E312 W463 F466 | N256-R309 PolarHBondContact OD1-NH1 3.41Å; A305-R309 PolarHBondContact O-N 3.26Å; L306-R309 WeakPolarHBondContact O-CB 3.42Å; L306-R309 PolarHBondContact O-N 3.01Å; R309-E312 IonicContact CZ-OE2 3.94Å; R309-E312 IonicContact NH2-OE2 3.43Å; R309-E312 PolarHBondContact NH2-OE2 2.9Å; R309-W463 HydrophobicContact CG-CH2 4.02Å; R309-W463 HydrophobicContact CG-CZ2 4.46Å; R309-W463 HydrophobicContact CG-CZ3 4.07Å; R309-F466 HydrophobicContact CB-CD2 3.96Å; R309-F466 HydrophobicContact CB-CE2 4.46Å; R309-F466 HydrophobicContact CG-CD2 4.4Å |
| 310 | P | 77.8 | Confident | 73.3 | Confident | 27 Ų | 27 | 61.6 Ų | 61.6 | 18% | 0.175 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 144.6 | 173.5 | 27 | -33 | 0 | 0 | 0 | 112.2 | E312 K460 W463 | P310-E312 PolarHBondContact O-N 2.92Å; P310-K460 WeakPolarHBondContact CA-O 3.4Å; P310-K460 WeakPolarHBondContact CB-O 3.5Å; P310-W463 VanDerWaalsContact CG-CD1 3.48Å; P310-W463 HydrophobicContact CG-CD2 3.9Å; P310-W463 HydrophobicContact CG-CG 3.87Å; P310-W463 HydrophobicContact CG-CZ2 4.2Å |
| 311 | P | 70.3 | Confident | 72.6 | Confident | 54 Ų | 54 | 61.5 Ų | 61.5 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 129.4 | -176.3 | 28 | -33.3 | 0 | 0 | 0 | 111.1 | L325 K460 | P311-L325 HydrophobicContact CB-CD1 4.08Å; P311-L325 HydrophobicContact CB-CD2 4.35Å; P311-K460 WeakPolarHBondContact CD-O 3.07Å |
| 312 | E | 66.2 | Low | 72 | Confident | 101 Ų | 101 | 62 Ų | 62 | 47% | 0.472 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 129.8 | 175.6 | -167 | 171.2 | -166.8 | 0 | 0 | 109.4 | R309 P310 L323 | R309-E312 IonicContact CZ-OE2 3.94Å; R309-E312 IonicContact NH2-OE2 3.43Å; R309-E312 PolarHBondContact NH2-OE2 2.9Å; P310-E312 PolarHBondContact O-N 2.92Å; E312-L323 PolarHBondContact O-N 3.37Å |
| 313 | R | 66.4 | Low | 71.2 | Confident | 191 Ų | 191 | 63 Ų | 63 | 72% | 0.721 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 123.9 | 177.4 | -65.8 | -177.6 | -179.1 | -169.9 | -0.6 | 108.6 | T322 | R313-T322 HydrophobicContact CG-CG2 3.76Å |
| 314 | V | 66.8 | Low | 70.7 | Confident | 58 Ų | 58 | 60.8 Ų | 60.8 | 35% | 0.352 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 136.8 | 175.7 | -172 | 0 | 0 | 0 | 0 | 108.1 | L316 H321 L323 | V314-L316 HydrophobicContact CB-CD1 3.84Å; V314-L316 HydrophobicContact CG1-CD1 3.68Å; V314-L316 PolarHBondContact O-N 2.84Å; V314-H321 PolarHBondContact N-O 3.28Å; V314-H321 PolarHBondContact O-N 2.87Å; V314-L323 HydrophobicContact CB-CD1 4.18Å; V314-L323 HydrophobicContact CG2-CD1 4.17Å |
| 315 | I | 65.4 | Low | 70.3 | Confident | 121 Ų | 121 | 62.6 Ų | 62.6 | 62% | 0.621 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 105.6 | 173.2 | -58.9 | 168.5 | 0 | 0 | 0 | 107.2 | Q319 N320 | I315-Q319 WeakPolarHBondContact CA-O 2.96Å; I315-N320 WeakPolarHBondContact CG1-OD1 3.25Å |
| 316 | L | 63.3 | Low | 69.4 | Low | 49 Ų | 49 | 64.5 Ų | 64.5 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 129.8 | 168.2 | -81.5 | 92.9 | 0 | 0 | 0 | 108.4 | A251 V314 G318 Q319 L323 | A251-L316 HydrophobicContact CB-CD2 3.96Å; V314-L316 HydrophobicContact CB-CD1 3.84Å; V314-L316 HydrophobicContact CG1-CD1 3.68Å; V314-L316 PolarHBondContact O-N 2.84Å; L316-G318 PolarHBondContact O-N 3Å; L316-G318 VanDerWaalsContact O-N 3.11Å; L316-Q319 PolarHBondContact N-O 3.23Å; L316-Q319 PolarHBondContact O-N 3.44Å; L316-L323 HydrophobicContact CD1-CD1 3.68Å; L316-L323 HydrophobicContact CD1-CG 4.39Å |
| 317 | Q | 62.6 | Low | 67.9 | Low | 205 Ų | 205 | 67 Ų | 67 | 96% | 0.958 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 35.3 | 177.4 | -60.9 | -177.4 | -24.5 | 0 | 0 | 114 | Q319 | Q317-Q319 VanDerWaalsContact C-N 3.3Å; Q317-Q319 PolarHBondContact O-N 3.41Å |
| 318 | G | 63.3 | Low | 66.6 | Low | 69 Ų | 69 | 70.5 Ų | 70.5 | 71% | 0.711 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 2.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L316 | L316-G318 PolarHBondContact O-N 3Å; L316-G318 VanDerWaalsContact O-N 3.11Å |
| 319 | Q | 58.8 | Low | 65 | Low | 100 Ų | 100 | 73.6 Ų | 73.6 | 47% | 0.467 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 142.5 | 174.5 | -68.7 | -163.9 | -23.3 | 0 | 0 | 112.5 | I315 L316 Q317 H321 M331 | I315-Q319 WeakPolarHBondContact CA-O 2.96Å; L316-Q319 PolarHBondContact N-O 3.23Å; L316-Q319 PolarHBondContact O-N 3.44Å; Q317-Q319 VanDerWaalsContact C-N 3.3Å; Q317-Q319 PolarHBondContact O-N 3.41Å; Q319-H321 PolarHBondContact O-N 2.89Å; Q319-M331 HydrophobicContact CB-CE 4.26Å; Q319-M331 HydrophobicContact CG-CE 4.36Å |
| 320 | N | 66.4 | Low | 62.9 | Low | 105 Ų | 105 | 81.4 Ų | 81.4 | 56% | 0.561 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 102.8 | 177.2 | -78.8 | -32.4 | 0 | 0 | 0 | 110.4 | I315 | I315-N320 WeakPolarHBondContact CG1-OD1 3.25Å |
| 321 | H | 66.3 | Low | 61.1 | Low | 61 Ų | 61 | 86.3 Ų | 86.3 | 28% | 0.282 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 132.6 | 174.2 | -72.9 | -72.3 | 0 | 0 | 0 | 111.3 | V314 Q319 | V314-H321 PolarHBondContact N-O 3.28Å; V314-H321 PolarHBondContact O-N 2.87Å; Q319-H321 PolarHBondContact O-N 2.89Å |
| 322 | T | 70.3 | Confident | 59.3 | Low | 23 Ų | 23 | 90 Ų | 90 | 14% | 0.141 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 115.1 | 165 | 38.3 | 0 | 0 | 0 | 0 | 109.1 | R313 L328 | R313-T322 HydrophobicContact CG-CG2 3.76Å; T322-L328 HydrophobicContact CG2-CD2 3.95Å; T322-L328 WeakPolarHBondContact OG1-CB 3.38Å; T322-L328 WeakPolarHBondContact OG1-CD2 3.46Å; T322-L328 PolarHBondContact OG1-O 3.09Å; T322-L328 VanDerWaalsContact OG1-O 3.07Å |
| 323 | L | 70.8 | Confident | 57.9 | Low | 19 Ų | 19 | 91.7 Ų | 91.7 | 10% | 0.099 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 163.6 | 179.3 | -65.3 | -179.5 | 0 | 0 | 0 | 111.1 | H249 E312 V314 L316 L325 | H249-L323 HydrophobicContact CB-CD2 4.44Å; E312-L323 PolarHBondContact O-N 3.37Å; V314-L323 HydrophobicContact CB-CD1 4.18Å; V314-L323 HydrophobicContact CG2-CD1 4.17Å; L316-L323 HydrophobicContact CD1-CD1 3.68Å; L316-L323 HydrophobicContact CD1-CG 4.39Å; L323-L325 VanDerWaalsContact C-N 3.32Å; L323-L325 PolarHBondContact O-N 3.01Å |
| 324 | C | 72.8 | Confident | 56.3 | Low | 14 Ų | 14 | 89.4 Ų | 89.4 | 10% | 0.095 | 49% | 0.493 | C | S | . | . | S | Bend | trans | 71.2 | 14.2 | 168.6 | -32 | 0 | 0 | 0 | 0 | 116.7 | Y247 C253 | Y247-C324 WeakPolarHBondContact CD1-O 2.91Å; C253-C324 WeakPolarHBondContact CA-SG 3.36Å; C253-C324 HydrophobicContact CB-CB 3.86Å; C253-C324 WeakPolarHBondContact CB-SG 3.08Å; C253-C324 WeakPolarHBondContact SG-CA 3Å; C253-C324 WeakPolarHBondContact SG-CB 3.46Å; C253-C324 CovalentContact SG-SG 2.01Å; C253-C324 PolarHBondContact SG-SG 3.37Å |
| 325 | L | 67.8 | Low | 54.7 | Low | 47 Ų | 47 | 92.1 Ų | 92.1 | 25% | 0.246 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -125.6 | 148.4 | 171.9 | -84.8 | 86.2 | 0 | 0 | 0 | 111.1 | Y246 P311 L323 G327 | Y246-L325 CarbonylContact O-C 3.52Å; P311-L325 HydrophobicContact CB-CD1 4.08Å; P311-L325 HydrophobicContact CB-CD2 4.35Å; L323-L325 VanDerWaalsContact C-N 3.32Å; L323-L325 PolarHBondContact O-N 3.01Å; L325-G327 PolarHBondContact O-N 2.66Å |
| 326 | P | 64.3 | Low | 53.4 | Low | 40 Ų | 40 | 91 Ų | 91 | 26% | 0.26 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 125.7 | 173.1 | 25.4 | -32.1 | 0 | 0 | 0 | 110.8 | Y247 L328 L340 | Y247-P326 VanDerWaalsContact CE1-CD 3.44Å; Y247-P326 HydrophobicContact CE1-CG 4.2Å; Y247-P326 HydrophobicContact CE2-CG 4.18Å; Y247-P326 VanDerWaalsContact CZ-CD 3.46Å; Y247-P326 WeakPolarHBondContact OH-CG 3.06Å; P326-L328 PolarHBondContact O-N 3.43Å; P326-L340 HydrophobicContact CB-CD2 4.37Å |
| 327 | G | 52.3 | Low | 52.5 | Low | 53 Ų | 53 | 93.1 Ų | 93.1 | 55% | 0.546 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | -6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | L325 S329 | L325-G327 PolarHBondContact O-N 2.66Å; G327-S329 VanDerWaalsContact C-N 3.33Å; G327-S329 PolarHBondContact O-N 3.49Å |
| 328 | L | 49.5 | Very low | 51.5 | Low | 110 Ų | 110 | 87.2 Ų | 87.2 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | trans | -92.6 | 16.7 | -179.4 | -125.9 | 88.6 | 0 | 0 | 0 | 114.5 | T322 P326 | T322-L328 HydrophobicContact CG2-CD2 3.95Å; T322-L328 WeakPolarHBondContact OG1-CB 3.38Å; T322-L328 WeakPolarHBondContact OG1-CD2 3.46Å; T322-L328 PolarHBondContact OG1-O 3.09Å; T322-L328 VanDerWaalsContact OG1-O 3.07Å; P326-L328 PolarHBondContact O-N 3.43Å | ||
| 329 | S | 43.5 | Very low | 50.5 | Low | 84 Ų | 84 | 87.9 Ų | 87.9 | 59% | 0.587 | 49% | 0.494 | S | S | * | . | trans | -98.9 | 13.8 | -170.3 | 80.7 | 0 | 0 | 0 | 0 | 115.2 | G327 | G327-S329 VanDerWaalsContact C-N 3.33Å; G327-S329 PolarHBondContact O-N 3.49Å | ||
| 330 | K | 36.2 | Very low | 49.7 | Very low | 178 Ų | 178 | 86.8 Ų | 86.8 | 77% | 0.774 | 49% | 0.49 | S | S | * | . | trans | -125.8 | 116.3 | 173 | -71.7 | -172.2 | 177.2 | -177.5 | 0 | 110.3 | E332 | K330-E332 VanDerWaalsContact C-N 3.26Å; K330-E332 PolarHBondContact O-N 3.45Å | ||
| 331 | M | 39.9 | Very low | 48.5 | Very low | 131 Ų | 131 | 83.8 Ų | 83.8 | 65% | 0.645 | 48% | 0.481 | S | S | * | . | trans | -63 | 92.5 | 158.9 | -77.6 | -174.8 | -168.4 | 0 | 0 | 107.4 | Q319 | Q319-M331 HydrophobicContact CB-CE 4.26Å; Q319-M331 HydrophobicContact CG-CE 4.36Å | ||
| 332 | E | 33.1 | Very low | 47.3 | Very low | 131 Ų | 131 | 85.9 Ų | 85.9 | 61% | 0.612 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -143.5 | 136.3 | 160.7 | -164.2 | 78.5 | 169.2 | 0 | 0 | 104.7 | K330 Q334 | K330-E332 VanDerWaalsContact C-N 3.26Å; K330-E332 PolarHBondContact O-N 3.45Å; E332-Q334 HydrophobicContact CG-CG 4.04Å; E332-Q334 PolarHBondContact O-N 3.4Å |
| 333 | P | 35.3 | Very low | 45.9 | Very low | 136 Ų | 136 | 89.4 Ų | 89.4 | 88% | 0.883 | 51% | 0.509 | S | S | * | . | trans | -71.9 | 68 | 173 | 30.9 | -33.1 | 0 | 0 | 0 | 109.2 | ||||
| 334 | Q | 32.9 | Very low | 44.5 | Very low | 144 Ų | 144 | 90.5 Ų | 90.5 | 67% | 0.673 | 52% | 0.518 | S | S | * | . | trans | -106.9 | 126.8 | 165 | -70.5 | -167.5 | 0.2 | 0 | 0 | 107.2 | E332 | E332-Q334 HydrophobicContact CG-CG 4.04Å; E332-Q334 PolarHBondContact O-N 3.4Å | ||
| 335 | T | 34.1 | Very low | 42.9 | Very low | 115 Ų | 115 | 90.7 Ų | 90.7 | 71% | 0.706 | 52% | 0.521 | S | S | * | . | trans | -29.8 | 128 | 167.4 | 45 | 0 | 0 | 0 | 0 | 110.4 | D337 | T335-D337 PolarHBondContact O-N 3.44Š| ||
| 336 | P | 37.8 | Very low | 41.7 | Very low | 97 Ų | 97 | 90.1 Ų | 90.1 | 63% | 0.63 | 53% | 0.526 | S | S | * | . | trans | -49.4 | 131.9 | 178.2 | 22.3 | -32.6 | 0 | 0 | 0 | 107.7 | T338 | P336-T338 PolarHBondContact O-N 2.99Å; P336-T338 PolarHBondContact O-OG1 3.41Å | ||
| 337 | D | 43.7 | Very low | 40.8 | Very low | 93 Ų | 93 | 91.7 Ų | 91.7 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | trans | -57 | 79.6 | -179.3 | -73 | -36.3 | 0 | 0 | 0 | 109.6 | T335 S339 L340 A341 | T335-D337 PolarHBondContact O-N 3.44Å; D337-S339 PolarHBondContact O-N 3.41Å; D337-L340 HydrophobicContact CB-CB 4.01Å; D337-L340 PolarHBondContact O-N 2.85Å; D337-A341 PolarHBondContact O-N 3.5Å; D337-A341 VanDerWaalsContact O-N 3.15Å | ||
| 338 | T | 43.4 | Very low | 40.5 | Very low | 81 Ų | 81 | 91.1 Ų | 91.1 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -27.1 | -176.3 | -55 | 0 | 0 | 0 | 0 | 107.3 | P336 M342 | P336-T338 PolarHBondContact O-N 2.99Å; P336-T338 PolarHBondContact O-OG1 3.41Å; T338-M342 HydrophobicContact CG2-CE 4.19Å; T338-M342 HydrophobicContact CG2-CG 4.09Å; T338-M342 WeakPolarHBondContact O-CB 3.32Å; T338-M342 WeakPolarHBondContact O-CG 3.23Å; T338-M342 PolarHBondContact O-N 3.34Å |
| 339 | S | 40.9 | Very low | 40.4 | Very low | 84 Ų | 84 | 89.9 Ų | 89.9 | 59% | 0.587 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.4 | -41.6 | 169.9 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | D337 L343 | D337-S339 PolarHBondContact O-N 3.41Å; S339-L343 WeakPolarHBondContact O-CA 3.41Å; S339-L343 WeakPolarHBondContact O-CB 3.32Å; S339-L343 PolarHBondContact O-N 2.71Å |
| 340 | L | 43 | Very low | 40.4 | Very low | 76 Ų | 76 | 88.4 Ų | 88.4 | 40% | 0.398 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -78.1 | -37.3 | -178.7 | -173.2 | 65.3 | 0 | 0 | 0 | 111.7 | P326 D337 L343 S344 | P326-L340 HydrophobicContact CB-CD2 4.37Å; D337-L340 HydrophobicContact CB-CB 4.01Å; D337-L340 PolarHBondContact O-N 2.85Å; L340-L343 HydrophobicContact CD1-CD2 4.44Å; L340-L343 PolarHBondContact O-N 3.24Å; L340-S344 WeakPolarHBondContact O-CB 3.46Å; L340-S344 PolarHBondContact O-N 3.47Å; L340-S344 PolarHBondContact O-OG 3.38Å; L340-S344 VanDerWaalsContact O-OG 3.14Å |
| 341 | A | 40.1 | Very low | 40.8 | Very low | 43 Ų | 43 | 81.5 Ų | 81.5 | 36% | 0.355 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.1 | -36.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | D337 S344 A345 | D337-A341 PolarHBondContact O-N 3.5Å; D337-A341 VanDerWaalsContact O-N 3.15Å; A341-S344 WeakPolarHBondContact CA-OG 3.38Å; A341-S344 PolarHBondContact O-OG 3.18Å; A341-S344 VanDerWaalsContact O-OG 3.04Å; A341-A345 WeakPolarHBondContact O-CB 3.27Å; A341-A345 PolarHBondContact O-N 2.79Å |
| 342 | M | 41 | Very low | 40.9 | Very low | 105 Ų | 105 | 76.4 Ų | 76.4 | 52% | 0.517 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -73.5 | -31.1 | 172.4 | -69.7 | -73 | 170 | 0 | 0 | 112 | T338 G346 | T338-M342 HydrophobicContact CG2-CE 4.19Å; T338-M342 HydrophobicContact CG2-CG 4.09Å; T338-M342 WeakPolarHBondContact O-CB 3.32Å; T338-M342 WeakPolarHBondContact O-CG 3.23Å; T338-M342 PolarHBondContact O-N 3.34Å; M342-G346 VanDerWaalsContact O-CA 3.29Å; M342-G346 WeakPolarHBondContact O-CA 3.47Å; M342-G346 PolarHBondContact O-N 2.67Å |
| 343 | L | 42.5 | Very low | 41.4 | Very low | 97 Ų | 97 | 72.3 Ų | 72.3 | 51% | 0.508 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -71.8 | -40.8 | 172.8 | -179.5 | 65.2 | 0 | 0 | 0 | 110.8 | S339 L340 G346 I347 | S339-L343 WeakPolarHBondContact O-CA 3.41Å; S339-L343 WeakPolarHBondContact O-CB 3.32Å; S339-L343 PolarHBondContact O-N 2.71Å; L340-L343 HydrophobicContact CD1-CD2 4.44Å; L340-L343 PolarHBondContact O-N 3.24Å; L343-G346 PolarHBondContact O-N 2.69Å; L343-I347 HydrophobicContact CD1-CD1 3.88Å; L343-I347 HydrophobicContact CD1-CG1 4.13Å; L343-I347 HydrophobicContact CD2-CD1 4.48Å; L343-I347 HydrophobicContact CG-CD1 3.75Å; L343-I347 HydrophobicContact CG-CG1 4.38Å; L343-I347 VanDerWaalsContact O-CB 3.23Å; L343-I347 WeakPolarHBondContact O-CB 3.34Å; L343-I347 WeakPolarHBondContact O-CD1 3.26Å; L343-I347 WeakPolarHBondContact O-CG1 3.3Å; L343-I347 PolarHBondContact O-N 3.33Å |
| 344 | S | 39.5 | Very low | 41.8 | Very low | 42 Ų | 42 | 71.6 Ų | 71.6 | 29% | 0.294 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -71.3 | -39.6 | 175.8 | 67 | 0 | 0 | 0 | 0 | 111.6 | L340 A341 G346 M348 | L340-S344 WeakPolarHBondContact O-CB 3.46Å; L340-S344 PolarHBondContact O-N 3.47Å; L340-S344 PolarHBondContact O-OG 3.38Å; L340-S344 VanDerWaalsContact O-OG 3.14Å; A341-S344 WeakPolarHBondContact CA-OG 3.38Å; A341-S344 PolarHBondContact O-OG 3.18Å; A341-S344 VanDerWaalsContact O-OG 3.04Å; S344-G346 VanDerWaalsContact C-N 3.35Å; S344-M348 WeakPolarHBondContact O-CB 3.47Å; S344-M348 PolarHBondContact O-N 2.74Å |
| 345 | A | 41 | Very low | 42.2 | Very low | 18 Ų | 18 | 65.4 Ų | 65.4 | 15% | 0.149 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66 | -36.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A341 Y349 F458 | A341-A345 WeakPolarHBondContact O-CB 3.27Å; A341-A345 PolarHBondContact O-N 2.79Å; A345-Y349 WeakPolarHBondContact O-CA 3.41Å; A345-Y349 WeakPolarHBondContact O-CB 3.49Å; A345-Y349 PolarHBondContact O-N 2.94Å; A345-F458 HydrophobicContact CB-CD2 4.24Å; A345-F458 HydrophobicContact CB-CE2 3.98Å; A345-F458 HydrophobicContact CB-CZ 4.32Å |
| 346 | G | 42.5 | Very low | 42.6 | Very low | 34 Ų | 34 | 60.5 Ų | 60.5 | 35% | 0.351 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -72.5 | -40 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | M342 L343 S344 Y349 A350 | M342-G346 VanDerWaalsContact O-CA 3.29Å; M342-G346 WeakPolarHBondContact O-CA 3.47Å; M342-G346 PolarHBondContact O-N 2.67Å; L343-G346 PolarHBondContact O-N 2.69Å; S344-G346 VanDerWaalsContact C-N 3.35Å; G346-Y349 PolarHBondContact O-N 2.76Å; G346-A350 WeakPolarHBondContact O-CB 3.27Å; G346-A350 PolarHBondContact O-N 3.39Å |
| 347 | I | 45.5 | Very low | 42.9 | Very low | 74 Ų | 74 | 60 Ų | 60 | 38% | 0.379 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.8 | -43.6 | 171.2 | -71 | 166 | 0 | 0 | 0 | 109.3 | L343 Y349 A350 C351 | L343-I347 HydrophobicContact CD1-CD1 3.88Å; L343-I347 HydrophobicContact CD1-CG1 4.13Å; L343-I347 HydrophobicContact CD2-CD1 4.48Å; L343-I347 HydrophobicContact CG-CD1 3.75Å; L343-I347 HydrophobicContact CG-CG1 4.38Å; L343-I347 VanDerWaalsContact O-CB 3.23Å; L343-I347 WeakPolarHBondContact O-CB 3.34Å; L343-I347 WeakPolarHBondContact O-CD1 3.26Å; L343-I347 WeakPolarHBondContact O-CG1 3.3Å; L343-I347 PolarHBondContact O-N 3.33Å; I347-Y349 VanDerWaalsContact C-N 3.35Å; I347-Y349 PolarHBondContact O-N 2.8Å; I347-A350 CarbonylContact O-C 3.53Å; I347-A350 PolarHBondContact O-N 3.22Å; I347-C351 VanDerWaalsContact O-CB 3.24Å; I347-C351 WeakPolarHBondContact O-CB 3.49Å; I347-C351 PolarHBondContact O-N 3Å; I347-C351 PolarHBondContact O-SG 2.74Å |
| 348 | M | 44.7 | Very low | 42.8 | Very low | 41 Ų | 41 | 57.6 Ų | 57.6 | 20% | 0.202 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 175.7 | -171 | -163.4 | 66.7 | 0 | 0 | 111.4 | S344 C351 V352 F458 | S344-M348 WeakPolarHBondContact O-CB 3.47Å; S344-M348 PolarHBondContact O-N 2.74Å; M348-C351 CarbonylContact O-C 3.48Å; M348-C351 PolarHBondContact O-N 3.32Å; M348-V352 WeakPolarHBondContact O-CB 3.18Å; M348-V352 VanDerWaalsContact O-CG2 3.25Å; M348-V352 WeakPolarHBondContact O-CG2 3.45Å; M348-V352 PolarHBondContact O-N 3.34Å; M348-F458 HydrophobicContact CE-CD1 4.46Å; M348-F458 HydrophobicContact CE-CE1 3.25Å; M348-F458 HydrophobicContact CE-CZ 3.36Å; M348-F458 HydrophobicContact SD-CE1 3.9Å |
| 349 | Y | 48.2 | Very low | 42.8 | Very low | 84 Ų | 84 | 54.1 Ų | 54.1 | 33% | 0.329 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.4 | -43 | 174.4 | -179.6 | -109.4 | 0 | 0 | 0 | 111.3 | A345 G346 I347 C351 V352 L353 | A345-Y349 WeakPolarHBondContact O-CA 3.41Å; A345-Y349 WeakPolarHBondContact O-CB 3.49Å; A345-Y349 PolarHBondContact O-N 2.94Å; G346-Y349 PolarHBondContact O-N 2.76Å; I347-Y349 VanDerWaalsContact C-N 3.35Å; I347-Y349 PolarHBondContact O-N 2.8Å; Y349-C351 VanDerWaalsContact C-N 3.28Å; Y349-C351 PolarHBondContact O-N 3.15Å; Y349-V352 PolarHBondContact O-N 2.84Å; Y349-L353 HydrophobicContact CD1-CD1 3.67Å; Y349-L353 HydrophobicContact CD1-CG 4.29Å; Y349-L353 HydrophobicContact CD2-CD1 4.48Å; Y349-L353 HydrophobicContact CD2-CG 4.34Å; Y349-L353 HydrophobicContact CE1-CD1 3.2Å; Y349-L353 HydrophobicContact CE1-CG 4.05Å; Y349-L353 HydrophobicContact CE2-CD1 4.08Å; Y349-L353 HydrophobicContact CE2-CD2 4.34Å; Y349-L353 HydrophobicContact CE2-CG 4.07Å; Y349-L353 HydrophobicContact CG-CD1 4.3Å; Y349-L353 HydrophobicContact CG-CG 4.44Å; Y349-L353 VanDerWaalsContact CZ-CD1 3.43Å; Y349-L353 WeakPolarHBondContact O-CB 3.46Å; Y349-L353 VanDerWaalsContact O-CG 3.24Å; Y349-L353 WeakPolarHBondContact O-CG 3.49Å; Y349-L353 PolarHBondContact O-N 2.93Å |
| 350 | A | 44 | Very low | 42.6 | Very low | 53 Ų | 53 | 50.9 Ų | 50.9 | 44% | 0.438 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.6 | -36.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | G346 I347 F354 | G346-A350 WeakPolarHBondContact O-CB 3.27Å; G346-A350 PolarHBondContact O-N 3.39Å; I347-A350 CarbonylContact O-C 3.53Å; I347-A350 PolarHBondContact O-N 3.22Å; A350-F354 WeakPolarHBondContact O-CA 3.48Å; A350-F354 WeakPolarHBondContact O-CB 3.36Å; A350-F354 PolarHBondContact O-N 2.95Å |
| 351 | C | 44 | Very low | 42.6 | Very low | 32 Ų | 32 | 52.5 Ų | 52.5 | 22% | 0.216 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -75.3 | -32.6 | 176.2 | -71.3 | 0 | 0 | 0 | 0 | 113 | Y300 I347 M348 Y349 A355 | Y300-C351 HydrophobicContact CE2-CB 3.54Å; Y300-C351 WeakPolarHBondContact CE2-SG 3.36Å; Y300-C351 VanDerWaalsContact OH-CB 3.3Å; Y300-C351 WeakPolarHBondContact OH-CB 3.47Å; I347-C351 VanDerWaalsContact O-CB 3.24Å; I347-C351 WeakPolarHBondContact O-CB 3.49Å; I347-C351 PolarHBondContact O-N 3Å; I347-C351 PolarHBondContact O-SG 2.74Å; M348-C351 CarbonylContact O-C 3.48Å; M348-C351 PolarHBondContact O-N 3.32Å; Y349-C351 VanDerWaalsContact C-N 3.28Å; Y349-C351 PolarHBondContact O-N 3.15Å; C351-A355 WeakPolarHBondContact O-CA 3.23Å; C351-A355 WeakPolarHBondContact O-CB 3.49Å; C351-A355 PolarHBondContact O-N 3.29Å |
| 352 | V | 42.4 | Very low | 42.8 | Very low | 25 Ų | 25 | 50.7 Ų | 50.7 | 15% | 0.152 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73.3 | -43.3 | 173.1 | 168 | 0 | 0 | 0 | 0 | 109.8 | M348 Y349 A355 C356 | M348-V352 WeakPolarHBondContact O-CB 3.18Å; M348-V352 VanDerWaalsContact O-CG2 3.25Å; M348-V352 WeakPolarHBondContact O-CG2 3.45Å; M348-V352 PolarHBondContact O-N 3.34Å; Y349-V352 PolarHBondContact O-N 2.84Å; V352-A355 WeakPolarHBondContact O-CB 3.38Å; V352-A355 PolarHBondContact O-N 3.26Å; V352-C356 VanDerWaalsContact O-CB 3.31Å; V352-C356 WeakPolarHBondContact O-CB 3.41Å; V352-C356 PolarHBondContact O-N 2.85Å; V352-C356 PolarHBondContact O-SG 2.85Å |
| 353 | L | 42.2 | Very low | 42.7 | Very low | 44 Ų | 44 | 47.1 Ų | 47.1 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 171.6 | -73.8 | -177.7 | 0 | 0 | 0 | 111.5 | V69 Y349 C356 N357 | V69-L353 HydrophobicContact CG1-CD2 3.94Å; V69-L353 HydrophobicContact CG2-CD2 4.28Å; Y349-L353 HydrophobicContact CD1-CD1 3.67Å; Y349-L353 HydrophobicContact CD1-CG 4.29Å; Y349-L353 HydrophobicContact CD2-CD1 4.48Å; Y349-L353 HydrophobicContact CD2-CG 4.34Å; Y349-L353 HydrophobicContact CE1-CD1 3.2Å; Y349-L353 HydrophobicContact CE1-CG 4.05Å; Y349-L353 HydrophobicContact CE2-CD1 4.08Å; Y349-L353 HydrophobicContact CE2-CD2 4.34Å; Y349-L353 HydrophobicContact CE2-CG 4.07Å; Y349-L353 HydrophobicContact CG-CD1 4.3Å; Y349-L353 HydrophobicContact CG-CG 4.44Å; Y349-L353 VanDerWaalsContact CZ-CD1 3.43Å; Y349-L353 WeakPolarHBondContact O-CB 3.46Å; Y349-L353 VanDerWaalsContact O-CG 3.24Å; Y349-L353 WeakPolarHBondContact O-CG 3.49Å; Y349-L353 PolarHBondContact O-N 2.93Å; L353-C356 PolarHBondContact O-N 3.42Å; L353-N357 WeakPolarHBondContact O-CA 3.02Å; L353-N357 WeakPolarHBondContact O-CB 3.42Å; L353-N357 PolarHBondContact O-N 3.27Å |
| 354 | F | 44.9 | Very low | 42.7 | Very low | 121 Ų | 121 | 47.2 Ų | 47.2 | 53% | 0.531 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 173.1 | -177.6 | -101.2 | 0 | 0 | 0 | 110.1 | A350 C356 N357 E358 | A350-F354 WeakPolarHBondContact O-CA 3.48Å; A350-F354 WeakPolarHBondContact O-CB 3.36Å; A350-F354 PolarHBondContact O-N 2.95Å; F354-C356 PolarHBondContact O-N 3.43Å; F354-N357 CarbonylContact O-C 3.54Å; F354-N357 PolarHBondContact O-N 2.89Å; F354-E358 HydrophobicContact CD1-CG 3.83Å; F354-E358 HydrophobicContact CD2-CG 4.23Å; F354-E358 HydrophobicContact CE1-CG 3.56Å; F354-E358 HydrophobicContact CE2-CG 3.97Å; F354-E358 WeakPolarHBondContact CE2-OE1 3.41Å; F354-E358 HydrophobicContact CG-CG 4.15Å; F354-E358 HydrophobicContact CZ-CG 3.63Å; F354-E358 WeakPolarHBondContact CZ-OE1 3.48Å; F354-E358 WeakPolarHBondContact O-CA 3.46Å; F354-E358 WeakPolarHBondContact O-CB 3.4Å; F354-E358 WeakPolarHBondContact O-CG 3.07Å; F354-E358 PolarHBondContact O-N 3.39Å |
| 355 | A | 41.5 | Very low | 43 | Very low | 15 Ų | 15 | 49 Ų | 49 | 12% | 0.124 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | C351 V352 A359 | C351-A355 WeakPolarHBondContact O-CA 3.23Å; C351-A355 WeakPolarHBondContact O-CB 3.49Å; C351-A355 PolarHBondContact O-N 3.29Å; V352-A355 WeakPolarHBondContact O-CB 3.38Å; V352-A355 PolarHBondContact O-N 3.26Å; A355-A359 VanDerWaalsContact O-CB 3.24Å; A355-A359 WeakPolarHBondContact O-CB 3.46Å; A355-A359 PolarHBondContact O-N 3.37Å |
| 356 | C | 41.5 | Very low | 43.1 | Very low | 11 Ų | 11 | 50.6 Ų | 50.6 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75.9 | -35.6 | 176.2 | -70.1 | 0 | 0 | 0 | 0 | 111.7 | V352 L353 F354 S360 | V352-C356 VanDerWaalsContact O-CB 3.31Å; V352-C356 WeakPolarHBondContact O-CB 3.41Å; V352-C356 PolarHBondContact O-N 2.85Å; V352-C356 PolarHBondContact O-SG 2.85Å; L353-C356 PolarHBondContact O-N 3.42Å; F354-C356 PolarHBondContact O-N 3.43Å; C356-S360 WeakPolarHBondContact O-CB 3.33Å; C356-S360 PolarHBondContact O-N 3.4Å; C356-S360 VanDerWaalsContact O-N 3.07Å; C356-S360 PolarHBondContact O-OG 2.96Å |
| 357 | N | 43.3 | Very low | 43.1 | Very low | 88 Ų | 88 | 50.2 Ų | 50.2 | 47% | 0.471 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.9 | -39.1 | 174.4 | -169.8 | 49.3 | 0 | 0 | 0 | 110.9 | L353 F354 S360 Y361 | L353-N357 WeakPolarHBondContact O-CA 3.02Å; L353-N357 WeakPolarHBondContact O-CB 3.42Å; L353-N357 PolarHBondContact O-N 3.27Å; F354-N357 CarbonylContact O-C 3.54Å; F354-N357 PolarHBondContact O-N 2.89Å; N357-S360 CarbonylContact O-C 3.55Å; N357-S360 PolarHBondContact O-N 3.33Å; N357-Y361 WeakPolarHBondContact O-CB 3.43Å; N357-Y361 PolarHBondContact O-N 2.69Å |
| 358 | E | 43.4 | Very low | 42.9 | Very low | 42 Ų | 42 | 49.3 Ų | 49.3 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.9 | -41.8 | 173 | -77.5 | -68.7 | 166.2 | 0 | 0 | 110.9 | F354 S360 Y361 L362 | F354-E358 HydrophobicContact CD1-CG 3.83Å; F354-E358 HydrophobicContact CD2-CG 4.23Å; F354-E358 HydrophobicContact CE1-CG 3.56Å; F354-E358 HydrophobicContact CE2-CG 3.97Å; F354-E358 WeakPolarHBondContact CE2-OE1 3.41Å; F354-E358 HydrophobicContact CG-CG 4.15Å; F354-E358 HydrophobicContact CZ-CG 3.63Å; F354-E358 WeakPolarHBondContact CZ-OE1 3.48Å; F354-E358 WeakPolarHBondContact O-CA 3.46Å; F354-E358 WeakPolarHBondContact O-CB 3.4Å; F354-E358 WeakPolarHBondContact O-CG 3.07Å; F354-E358 PolarHBondContact O-N 3.39Å; E358-S360 PolarHBondContact O-N 2.89Å; E358-Y361 PolarHBondContact O-N 2.84Å; E358-L362 WeakPolarHBondContact O-CA 3.4Å; E358-L362 WeakPolarHBondContact O-CB 3.5Å; E358-L362 WeakPolarHBondContact O-CD1 3.42Å; E358-L362 WeakPolarHBondContact O-CG 3.45Å; E358-L362 PolarHBondContact O-N 3.37Å |
| 359 | A | 41.9 | Very low | 42.8 | Very low | 7 Ų | 7 | 52.9 Ų | 52.9 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.4 | -32.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F192 L199 A355 A363 | F192-A359 HydrophobicContact CZ-CB 4.25Å; L199-A359 HydrophobicContact CD1-CB 4.36Å; A355-A359 VanDerWaalsContact O-CB 3.24Å; A355-A359 WeakPolarHBondContact O-CB 3.46Å; A355-A359 PolarHBondContact O-N 3.37Å; A359-A363 VanDerWaalsContact O-CB 3.29Å; A359-A363 WeakPolarHBondContact O-CB 3.42Å; A359-A363 PolarHBondContact O-N 3.37Å |
| 360 | S | 38 | Very low | 42.5 | Very low | 16 Ų | 16 | 49.8 Ų | 49.8 | 11% | 0.112 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -80.1 | -34.9 | 177.6 | -57.4 | 0 | 0 | 0 | 0 | 113.5 | C356 N357 E358 E364 | C356-S360 WeakPolarHBondContact O-CB 3.33Å; C356-S360 PolarHBondContact O-N 3.4Å; C356-S360 VanDerWaalsContact O-N 3.07Å; C356-S360 PolarHBondContact O-OG 2.96Å; N357-S360 CarbonylContact O-C 3.55Å; N357-S360 PolarHBondContact O-N 3.33Å; E358-S360 PolarHBondContact O-N 2.89Å; S360-E364 PolarHBondContact O-N 3.22Å |
| 361 | Y | 43 | Very low | 42.2 | Very low | 111 Ų | 111 | 51.7 Ų | 51.7 | 44% | 0.435 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -74.9 | -33.1 | 173 | -175 | -104.1 | 0 | 0 | 0 | 111.6 | N357 E358 E364 V365 | N357-Y361 WeakPolarHBondContact O-CB 3.43Å; N357-Y361 PolarHBondContact O-N 2.69Å; E358-Y361 PolarHBondContact O-N 2.84Å; Y361-E364 WeakPolarHBondContact CD2-OE2 3.19Å; Y361-E364 WeakPolarHBondContact O-CA 3.12Å; Y361-E364 WeakPolarHBondContact O-CB 3.24Å; Y361-E364 PolarHBondContact O-N 2.9Å; Y361-V365 PolarHBondContact O-N 2.92Å |
| 362 | L | 43.2 | Very low | 41.9 | Very low | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -76.6 | -30 | 174 | -67.6 | 171.2 | 0 | 0 | 0 | 112 | L199 F203 E358 E364 V365 F366 W370 | L199-L362 HydrophobicContact CB-CB 4.29Å; L199-L362 HydrophobicContact CB-CD1 3.8Å; L199-L362 HydrophobicContact CD1-CB 4.4Å; F203-L362 HydrophobicContact CB-CD1 4.17Å; F203-L362 HydrophobicContact CB-CD2 3.49Å; F203-L362 VanDerWaalsContact CB-CD2 3.49Å; F203-L362 HydrophobicContact CB-CG 4.49Å; F203-L362 HydrophobicContact CD2-CD2 3.44Å; F203-L362 VanDerWaalsContact CD2-CD2 3.44Å; F203-L362 HydrophobicContact CE2-CD2 4.32Å; F203-L362 HydrophobicContact CG-CD2 3.63Å; E358-L362 WeakPolarHBondContact O-CA 3.4Å; E358-L362 WeakPolarHBondContact O-CB 3.5Å; E358-L362 WeakPolarHBondContact O-CD1 3.42Å; E358-L362 WeakPolarHBondContact O-CG 3.45Å; E358-L362 PolarHBondContact O-N 3.37Å; L362-E364 PolarHBondContact O-N 3.4Å; L362-V365 PolarHBondContact O-N 3.13Å; L362-F366 PolarHBondContact O-N 2.9Å; L362-W370 HydrophobicContact CB-CH2 4.5Å; L362-W370 HydrophobicContact CB-CZ3 4.36Å |
| 363 | A | 40.3 | Very low | 41.7 | Very low | 29 Ų | 29 | 60.1 Ų | 60.1 | 24% | 0.24 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.9 | -24.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A359 | A359-A363 VanDerWaalsContact O-CB 3.29Å; A359-A363 WeakPolarHBondContact O-CB 3.42Å; A359-A363 PolarHBondContact O-N 3.37Å |
| 364 | E | 42.6 | Very low | 41.6 | Very low | 99 Ų | 99 | 59.7 Ų | 59.7 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.6 | -34.8 | 172.7 | -152.9 | -175.7 | 153.1 | 0 | 0 | 112.5 | S360 Y361 L362 | S360-E364 PolarHBondContact O-N 3.22Å; Y361-E364 WeakPolarHBondContact CD2-OE2 3.19Å; Y361-E364 WeakPolarHBondContact O-CA 3.12Å; Y361-E364 WeakPolarHBondContact O-CB 3.24Å; Y361-E364 PolarHBondContact O-N 2.9Å; L362-E364 PolarHBondContact O-N 3.4Å |
| 365 | V | 44.3 | Very low | 41.3 | Very low | 80 Ų | 80 | 59.6 Ų | 59.6 | 49% | 0.485 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -90.1 | -31.7 | -171 | 179.7 | 0 | 0 | 0 | 0 | 113.5 | Y361 L362 | Y361-V365 PolarHBondContact O-N 2.92Å; L362-V365 PolarHBondContact O-N 3.13Å |
| 366 | F | 43.7 | Very low | 40.8 | Very low | 51 Ų | 51 | 67.7 Ų | 67.7 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -123.6 | -11.2 | -165.7 | -67.1 | -74.3 | 0 | 0 | 0 | 116.6 | L362 W370 V374 | L362-F366 PolarHBondContact O-N 2.9Å; F366-W370 HydrophobicContact CB-CB 3.73Å; F366-W370 HydrophobicContact CB-CD2 3.27Å; F366-W370 HydrophobicContact CB-CE3 3.27Å; F366-W370 HydrophobicContact CB-CG 3.45Å; F366-W370 VanDerWaalsContact CB-CG 3.45Å; F366-W370 HydrophobicContact CB-CH2 4.35Å; F366-W370 HydrophobicContact CB-CZ2 4.34Å; F366-W370 HydrophobicContact CB-CZ3 3.81Å; F366-W370 AromaticContact CD1-CD1 3.99Å; F366-W370 HydrophobicContact CD1-CD2 4.24Å; F366-W370 AromaticContact CD1-CE2 4Å; F366-W370 HydrophobicContact CD1-CG 4.27Å; F366-W370 HydrophobicContact CD1-CZ2 4.35Å; F366-W370 AromaticContact CD1-NE1 3.96Å; F366-W370 AromaticContact CD2-CD2 3.98Å; F366-W370 HydrophobicContact CD2-CD2 3.98Å; F366-W370 AromaticContact CD2-CE2 3.74Å; F366-W370 AromaticContact CD2-CE3 3.89Å; F366-W370 HydrophobicContact CD2-CE3 3.89Å; F366-W370 AromaticContact CD2-CH2 3.32Å; F366-W370 HydrophobicContact CD2-CH2 3.32Å; F366-W370 AromaticContact CD2-CZ2 3.4Å; F366-W370 HydrophobicContact CD2-CZ2 3.4Å; F366-W370 AromaticContact CD2-CZ3 3.53Å; F366-W370 HydrophobicContact CD2-CZ3 3.53Å; F366-W370 AromaticContact CE2-CH2 3.8Å; F366-W370 HydrophobicContact CE2-CH2 3.8Å; F366-W370 AromaticContact CE2-CZ2 3.67Å; F366-W370 HydrophobicContact CE2-CZ2 3.67Å; F366-W370 HydrophobicContact CE2-CZ3 4.44Å; F366-W370 AromaticContact CG-CD2 3.58Å; F366-W370 HydrophobicContact CG-CD2 3.58Å; F366-W370 AromaticContact CG-CE2 3.59Å; F366-W370 AromaticContact CG-CE3 3.8Å; F366-W370 HydrophobicContact CG-CE3 3.8Å; F366-W370 AromaticContact CG-CG 3.96Å; F366-W370 HydrophobicContact CG-CG 3.96Å; F366-W370 AromaticContact CG-CH2 3.99Å; F366-W370 HydrophobicContact CG-CH2 3.99Å; F366-W370 AromaticContact CG-CZ2 3.78Å; F366-W370 HydrophobicContact CG-CZ2 3.78Å; F366-W370 AromaticContact CG-CZ3 3.95Å; F366-W370 HydrophobicContact CG-CZ3 3.95Å; F366-W370 HydrophobicContact CZ-CZ2 4.26Å; F366-V374 HydrophobicContact CD1-CG2 4.47Å; F366-V374 HydrophobicContact CE1-CG2 4.47Å |
| 367 | G | 41.6 | Very low | 40.6 | Very low | 26 Ų | 26 | 75.1 Ų | 75.1 | 27% | 0.268 | 37% | 0.365 | S | S | . | . | trans | 57.5 | -162 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 368 | P | 41.2 | Very low | 40.5 | Very low | 56 Ų | 56 | 74 Ų | 74 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -12.3 | -156.8 | 39.1 | -45.5 | 0 | 0 | 0 | 117 | N424 A427 | P368-N424 HydrophobicContact CB-CB 3.26Å; P368-N424 HydrophobicContact CG-CB 3.18Å; P368-A427 HydrophobicContact CB-CB 3.54Å |
| 369 | L | 43.6 | Very low | 40.3 | Very low | 116 Ų | 116 | 77.1 Ų | 77.1 | 61% | 0.607 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | 18.4 | 177 | -81.7 | 162.5 | 0 | 0 | 0 | 110.5 | I371 V372 K373 | L369-I371 VanDerWaalsContact C-N 3.33Å; L369-I371 PolarHBondContact O-N 3.34Å; L369-V372 PolarHBondContact O-N 2.92Å; L369-V372 VanDerWaalsContact O-N 3.14Å; L369-K373 WeakPolarHBondContact O-CB 3.24Å; L369-K373 PolarHBondContact O-N 2.87Å |
| 370 | W | 42.3 | Very low | 39.5 | Very low | 18 Ų | 18 | 83.9 Ų | 83.9 | 7% | 0.068 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -51 | -48.9 | 179.3 | 170.8 | 15.5 | 0 | 0 | 0 | 112 | L199 A202 L362 F366 V372 K373 V374 | L199-W370 HydrophobicContact CB-CH2 3.88Å; L199-W370 HydrophobicContact CB-CZ3 4.02Å; L199-W370 HydrophobicContact CD2-CE3 3.53Å; L199-W370 HydrophobicContact CD2-CH2 3.7Å; L199-W370 HydrophobicContact CD2-CZ3 3.07Å; L199-W370 HydrophobicContact CG-CH2 4.33Å; L199-W370 HydrophobicContact CG-CZ3 3.99Å; A202-W370 HydrophobicContact CB-CH2 4.23Å; A202-W370 HydrophobicContact CB-CZ2 3.25Å; L362-W370 HydrophobicContact CB-CH2 4.5Å; L362-W370 HydrophobicContact CB-CZ3 4.36Å; F366-W370 HydrophobicContact CB-CB 3.73Å; F366-W370 HydrophobicContact CB-CD2 3.27Å; F366-W370 HydrophobicContact CB-CE3 3.27Å; F366-W370 HydrophobicContact CB-CG 3.45Å; F366-W370 VanDerWaalsContact CB-CG 3.45Å; F366-W370 HydrophobicContact CB-CH2 4.35Å; F366-W370 HydrophobicContact CB-CZ2 4.34Å; F366-W370 HydrophobicContact CB-CZ3 3.81Å; F366-W370 AromaticContact CD1-CD1 3.99Å; F366-W370 HydrophobicContact CD1-CD2 4.24Å; F366-W370 AromaticContact CD1-CE2 4Å; F366-W370 HydrophobicContact CD1-CG 4.27Å; F366-W370 HydrophobicContact CD1-CZ2 4.35Å; F366-W370 AromaticContact CD1-NE1 3.96Å; F366-W370 AromaticContact CD2-CD2 3.98Å; F366-W370 HydrophobicContact CD2-CD2 3.98Å; F366-W370 AromaticContact CD2-CE2 3.74Å; F366-W370 AromaticContact CD2-CE3 3.89Å; F366-W370 HydrophobicContact CD2-CE3 3.89Å; F366-W370 AromaticContact CD2-CH2 3.32Å; F366-W370 HydrophobicContact CD2-CH2 3.32Å; F366-W370 AromaticContact CD2-CZ2 3.4Å; F366-W370 HydrophobicContact CD2-CZ2 3.4Å; F366-W370 AromaticContact CD2-CZ3 3.53Å; F366-W370 HydrophobicContact CD2-CZ3 3.53Å; F366-W370 AromaticContact CE2-CH2 3.8Å; F366-W370 HydrophobicContact CE2-CH2 3.8Å; F366-W370 AromaticContact CE2-CZ2 3.67Å; F366-W370 HydrophobicContact CE2-CZ2 3.67Å; F366-W370 HydrophobicContact CE2-CZ3 4.44Å; F366-W370 AromaticContact CG-CD2 3.58Å; F366-W370 HydrophobicContact CG-CD2 3.58Å; F366-W370 AromaticContact CG-CE2 3.59Å; F366-W370 AromaticContact CG-CE3 3.8Å; F366-W370 HydrophobicContact CG-CE3 3.8Å; F366-W370 AromaticContact CG-CG 3.96Å; F366-W370 HydrophobicContact CG-CG 3.96Å; F366-W370 AromaticContact CG-CH2 3.99Å; F366-W370 HydrophobicContact CG-CH2 3.99Å; F366-W370 AromaticContact CG-CZ2 3.78Å; F366-W370 HydrophobicContact CG-CZ2 3.78Å; F366-W370 AromaticContact CG-CZ3 3.95Å; F366-W370 HydrophobicContact CG-CZ3 3.95Å; F366-W370 HydrophobicContact CZ-CZ2 4.26Å; W370-V372 VanDerWaalsContact C-N 3.26Å; W370-V372 PolarHBondContact O-N 3.34Å; W370-K373 CarbonylContact O-C 3.54Å; W370-K373 PolarHBondContact O-N 3.48Å; W370-V374 HydrophobicContact CG-CG2 4.47Å; W370-V374 WeakPolarHBondContact O-CB 3.3Å; W370-V374 PolarHBondContact O-N 3.5Å |
| 371 | I | 37.3 | Very low | 39 | Very low | 93 Ų | 93 | 92.3 Ų | 92.3 | 48% | 0.477 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.4 | -39.4 | -178.3 | -103.5 | 162.1 | 0 | 0 | 0 | 111.8 | V198 L369 Y375 | V198-I371 HydrophobicContact CG1-CD1 4.36Å; V198-I371 HydrophobicContact CG1-CG1 4.39Å; L369-I371 VanDerWaalsContact C-N 3.33Å; L369-I371 PolarHBondContact O-N 3.34Å; I371-Y375 WeakPolarHBondContact O-CB 3.48Å; I371-Y375 WeakPolarHBondContact O-CD2 3.09Å; I371-Y375 PolarHBondContact O-N 3.19Å; I371-Y375 VanDerWaalsContact O-N 3.11Å |
| 372 | V | 37.5 | Very low | 38.8 | Very low | 77 Ų | 77 | 93 Ų | 93 | 47% | 0.467 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -80.5 | -34.2 | 175.5 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | L369 W370 R376 | L369-V372 PolarHBondContact O-N 2.92Å; L369-V372 VanDerWaalsContact O-N 3.14Å; W370-V372 VanDerWaalsContact C-N 3.26Å; W370-V372 PolarHBondContact O-N 3.34Å; V372-R376 WeakPolarHBondContact O-CA 3.18Å; V372-R376 WeakPolarHBondContact O-CB 3.19Å; V372-R376 PolarHBondContact O-N 3.34Å |
| 373 | K | 37.6 | Very low | 37.9 | Very low | 157 Ų | 157 | 97.6 Ų | 97.6 | 68% | 0.683 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -76.6 | -37.1 | 179.4 | -95.8 | -176.3 | 173.1 | 172 | 0 | 113.4 | L369 W370 Y377 | L369-K373 WeakPolarHBondContact O-CB 3.24Å; L369-K373 PolarHBondContact O-N 2.87Å; W370-K373 CarbonylContact O-C 3.54Å; W370-K373 PolarHBondContact O-N 3.48Å; K373-Y377 WeakPolarHBondContact O-CA 3.16Å; K373-Y377 WeakPolarHBondContact O-CB 3.13Å; K373-Y377 PolarHBondContact O-N 2.97Å |
| 374 | V | 40 | Very low | 37.5 | Very low | 35 Ų | 35 | 104.2 Ų | 104.2 | 21% | 0.212 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -71.2 | -44.1 | 169.4 | 158.4 | 0 | 0 | 0 | 0 | 110.1 | F366 W370 R376 Y377 E378 | F366-V374 HydrophobicContact CD1-CG2 4.47Å; F366-V374 HydrophobicContact CE1-CG2 4.47Å; W370-V374 HydrophobicContact CG-CG2 4.47Å; W370-V374 WeakPolarHBondContact O-CB 3.3Å; W370-V374 PolarHBondContact O-N 3.5Å; V374-R376 VanDerWaalsContact C-N 3.34Å; V374-R376 PolarHBondContact O-N 3.28Å; V374-Y377 PolarHBondContact O-N 2.85Å; V374-E378 HydrophobicContact CG1-CG 4.01Å; V374-E378 WeakPolarHBondContact O-CB 3.49Å; V374-E378 WeakPolarHBondContact O-CG 3.33Å; V374-E378 PolarHBondContact O-N 3.3Å |
| 375 | Y | 39.8 | Very low | 36.7 | Very low | 120 Ų | 120 | 104.3 Ų | 104.3 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.9 | -28.4 | 175.2 | -80.1 | -104.8 | 0 | 0 | 0 | 113.9 | I371 | I371-Y375 WeakPolarHBondContact O-CB 3.48Å; I371-Y375 WeakPolarHBondContact O-CD2 3.09Å; I371-Y375 PolarHBondContact O-N 3.19Å; I371-Y375 VanDerWaalsContact O-N 3.11Å |
| 376 | R | 31.7 | Very low | 36 | Very low | 185 Ų | 185 | 110.7 Ų | 110.7 | 70% | 0.698 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -90.2 | -24.6 | 178.3 | -161.2 | -172.4 | -117.6 | -169 | -0.5 | 113.1 | V372 V374 Q380 | V372-R376 WeakPolarHBondContact O-CA 3.18Å; V372-R376 WeakPolarHBondContact O-CB 3.19Å; V372-R376 PolarHBondContact O-N 3.34Å; V374-R376 VanDerWaalsContact C-N 3.34Å; V374-R376 PolarHBondContact O-N 3.28Å; R376-Q380 PolarHBondContact O-N 3.06Å |
| 377 | Y | 36 | Very low | 35.3 | Very low | 166 Ų | 166 | 113 Ų | 113 | 65% | 0.651 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -90.3 | -21.1 | 174.9 | -154.5 | -88.9 | 0 | 0 | 0 | 112.5 | K373 V374 F379 | K373-Y377 WeakPolarHBondContact O-CA 3.16Å; K373-Y377 WeakPolarHBondContact O-CB 3.13Å; K373-Y377 PolarHBondContact O-N 2.97Å; V374-Y377 PolarHBondContact O-N 2.85Å; Y377-F379 VanDerWaalsContact C-N 3.25Å; Y377-F379 PolarHBondContact O-N 2.7Å |
| 378 | E | 40.8 | Very low | 34.6 | Very low | 66 Ų | 66 | 117.5 Ų | 117.5 | 31% | 0.308 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -68 | -21.4 | 168.3 | -77.8 | -76.9 | 136.6 | 0 | 0 | 112.4 | H205 V374 | H205-E378 IonicContact CD2-OE1 2.69Å; H205-E378 PolarHBondContact CD2-OE1 3.29Å; H205-E378 IonicContact NE2-OE1 2.78Å; H205-E378 PolarHBondContact NE2-OE1 3.2Å; H205-E378 IonicContact NE2-OE2 3.1Å; V374-E378 HydrophobicContact CG1-CG 4.01Å; V374-E378 WeakPolarHBondContact O-CB 3.49Å; V374-E378 WeakPolarHBondContact O-CG 3.33Å; V374-E378 PolarHBondContact O-N 3.3Å |
| 379 | F | 39 | Very low | 34.2 | Very low | 107 Ų | 107 | 120.3 Ų | 120.3 | 47% | 0.469 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -120.2 | -1.3 | -174.6 | -76.4 | -80.6 | 0 | 0 | 0 | 116.5 | Y377 A486 P487 | Y377-F379 VanDerWaalsContact C-N 3.25Å; Y377-F379 PolarHBondContact O-N 2.7Å; F379-A486 HydrophobicContact CZ-CB 4.12Å; F379-P487 HydrophobicContact CE1-CB 4.46Å; F379-P487 HydrophobicContact CE1-CG 4.36Å; F379-P487 HydrophobicContact CZ-CG 4.22Å |
| 380 | Q | 25.6 | Very low | 33.2 | Very low | 149 Ų | 149 | 123.6 Ų | 123.6 | 70% | 0.696 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -123.7 | 97.4 | 177.5 | -160.2 | 139.1 | -2.8 | 0 | 0 | 112.5 | R376 | R376-Q380 PolarHBondContact O-N 3.06Š|
| 381 | K | 27.6 | Very low | 32.6 | Very low | 193 Ų | 193 | 129.1 Ų | 129.1 | 84% | 0.839 | 66% | 0.656 | S | S | * | * | trans | 28.7 | 145.5 | 159.4 | -81.1 | -170.8 | -179.7 | -177.1 | 0 | 121 | S383 | K381-S383 PolarHBondContact O-N 2.85Š| ||
| 382 | P | 39.3 | Very low | 32.2 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 81% | 0.805 | 67% | 0.67 | S | S | * | * | trans | -70.3 | 129.7 | -172.6 | 32.3 | -33.8 | 0 | 0 | 0 | 111.1 | ||||
| 383 | S | 25 | Very low | 31.6 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 71% | 0.713 | 69% | 0.685 | S | S | * | * | trans | -101 | 110.4 | 152.5 | 165 | 0 | 0 | 0 | 0 | 106.6 | K381 | K381-S383 PolarHBondContact O-N 2.85Š| ||
| 384 | L | 31.1 | Very low | 31 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 88% | 0.88 | 69% | 0.686 | S | S | * | * | trans | -79.9 | 106.7 | 170.7 | -168.1 | 105.5 | 0 | 0 | 0 | 106.6 | ||||
| 385 | C | 25.3 | Very low | 30.3 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 69% | 0.689 | 72% | 0.717 | S | S | * | * | trans | -178.7 | 110 | 136.9 | -145.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 386 | F | 29.5 | Very low | 29.7 | Very low | 213 Ų | 213 | 140.9 Ų | 140.9 | 93% | 0.934 | 74% | 0.737 | S | S | * | * | trans | -136.8 | 69.2 | 155.3 | -159.7 | -88.8 | 0 | 0 | 0 | 106.4 | ||||
| 387 | C | 30.1 | Very low | 29.6 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -165 | 93.8 | 162.5 | -94.6 | 0 | 0 | 0 | 0 | 107 | ||
| 388 | C | 25.6 | Very low | 29.2 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | 143.1 | 127 | 155.3 | -79.3 | 0 | 0 | 0 | 0 | 109.3 | E390 | C388-E390 PolarHBondContact O-N 3.12Š| ||
| 389 | P | 32.8 | Very low | 28.5 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | trans | -62.8 | 134.9 | 160.7 | 29 | -28.7 | 0 | 0 | 0 | 107.1 | I391 | P389-I391 VanDerWaalsContact C-N 3.3Å; P389-I391 PolarHBondContact O-N 3.39Å | ||
| 390 | E | 24 | Very low | 27.9 | Very low | 185 Ų | 185 | 143.3 Ų | 143.3 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -62.7 | 94.9 | 172.5 | -154.9 | 173 | -159 | 0 | 0 | 107.3 | C388 V392 | C388-E390 PolarHBondContact O-N 3.12Å; E390-V392 PolarHBondContact O-N 2.87Å | ||
| 391 | I | 29.7 | Very low | 27.9 | Very low | 134 Ų | 134 | 140 Ų | 140 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | trans | -68.5 | 115.3 | 153.7 | -54.8 | 176.5 | 0 | 0 | 0 | 103 | P389 E393 | P389-I391 VanDerWaalsContact C-N 3.3Å; P389-I391 PolarHBondContact O-N 3.39Å; I391-E393 PolarHBondContact O-N 3.08Å | ||
| 392 | V | 28.5 | Very low | 27.9 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -62.7 | 89.6 | 169.9 | 178.5 | 0 | 0 | 0 | 0 | 106.5 | E390 A394 | E390-V392 PolarHBondContact O-N 2.87Å; V392-A394 PolarHBondContact O-N 3.38Å | ||
| 393 | E | 24.6 | Very low | 27.2 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -69.2 | 115.7 | 161 | -75.4 | -89 | 140.7 | 0 | 0 | 105.9 | I391 D395 | I391-E393 PolarHBondContact O-N 3.08Å; E393-D395 PolarHBondContact O-N 3.03Å | ||
| 394 | A | 25.7 | Very low | 27.2 | Very low | 85 Ų | 85 | 141 Ų | 141 | 70% | 0.702 | 81% | 0.806 | S | S | * | * | trans | -58.3 | 135.1 | 174 | 0 | 0 | 0 | 0 | 0 | 109.4 | V392 E396 | V392-A394 PolarHBondContact O-N 3.38Å; A394-E396 PolarHBondContact O-N 3.22Å | ||
| 395 | D | 25.2 | Very low | 27.4 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -56.1 | 106 | 172.4 | -170.1 | 33.8 | 0 | 0 | 0 | 109.6 | E393 G397 | E393-D395 PolarHBondContact O-N 3.03Å; D395-G397 PolarHBondContact O-N 2.77Å | ||
| 396 | E | 26.2 | Very low | 27.7 | Very low | 189 Ų | 189 | 138 Ų | 138 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -70.7 | 79.8 | 161.9 | -85 | -138.1 | 129.8 | 0 | 0 | 108.7 | A394 Q398 | A394-E396 PolarHBondContact O-N 3.22Å; E396-Q398 PolarHBondContact O-N 3Å | ||
| 397 | G | 29.3 | Very low | 27.6 | Very low | 58 Ų | 58 | 136.1 Ų | 136.1 | 60% | 0.598 | 80% | 0.803 | S | S | * | * | trans | -74.4 | 102.8 | 163 | 0 | 0 | 0 | 0 | 0 | 110.3 | D395 R399 | D395-G397 PolarHBondContact O-N 2.77Å; G397-R399 PolarHBondContact O-N 2.87Å; G397-R399 VanDerWaalsContact O-N 3.1Å | ||
| 398 | Q | 27.9 | Very low | 27.9 | Very low | 188 Ų | 188 | 140.6 Ų | 140.6 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -53.4 | 109.7 | 168.6 | -165.1 | 93.1 | 10 | 0 | 0 | 111.4 | E396 | E396-Q398 PolarHBondContact O-N 3Š| ||
| 399 | R | 26.7 | Very low | 28 | Very low | 245 Ų | 245 | 144.1 Ų | 144.1 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | trans | -150 | 118.3 | 155.2 | -127.6 | 177.2 | -170.7 | -178.1 | 2.3 | 110.5 | G397 | G397-R399 PolarHBondContact O-N 2.87Å; G397-R399 VanDerWaalsContact O-N 3.1Å | ||
| 400 | G | 26.1 | Very low | 27.8 | Very low | 84 Ų | 84 | 144.8 Ų | 144.8 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | trans | -71.7 | 156.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 401 | G | 25.5 | Very low | 28.2 | Very low | 78 Ų | 78 | 141.4 Ų | 141.4 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | 141.5 | 97.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 402 | A | 27 | Very low | 28.5 | Very low | 103 Ų | 103 | 141 Ų | 141 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | 41 | 120.1 | 145.8 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 403 | A | 26.5 | Very low | 28.8 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | trans | 55.6 | 113.3 | 134.9 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 404 | R | 24.5 | Very low | 29.3 | Very low | 242 Ų | 242 | 136.6 Ų | 136.6 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | trans | 36.4 | 161.9 | 139.2 | -68.3 | -168.6 | 173.1 | 179.2 | -0.8 | 122.6 | ||||
| 405 | P | 33.7 | Very low | 29.7 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 75% | 0.747 | 82% | 0.822 | S | S | * | * | -133.7 | 165.8 | -55.5 | 39 | -20.7 | 0 | 0 | 0 | 114.8 | |||||
| 406 | A | 33.2 | Very low | 30.4 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | 64.3 | 113.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 407 | D | 26.2 | Very low | 30.9 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | -156.3 | 155 | 139.3 | -94.2 | -30.2 | 0 | 0 | 0 | 111.3 | ||||
| 408 | Q | 36.3 | Very low | 31.5 | Very low | 194 Ų | 194 | 140 Ų | 140 | 91% | 0.907 | 83% | 0.826 | S | S | * | * | trans | -94.9 | 115.3 | -155.7 | -175.7 | 162.9 | 5.6 | 0 | 0 | 112 | ||||
| 409 | E | 27.5 | Very low | 32.6 | Very low | 194 Ų | 194 | 137.3 Ų | 137.3 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | -128.4 | 140.1 | 171.8 | -76.5 | -169.5 | 156 | 0 | 0 | 113 | ||||
| 410 | T | 29 | Very low | 34.1 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 145.8 | -171.2 | -47.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 411 | P | 33 | Very low | 35.9 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 139.2 | 179.4 | -13.3 | 26.9 | 0 | 0 | 0 | 111.3 | ||
| 412 | P | 36 | Very low | 37.6 | Very low | 125 Ų | 125 | 130 Ų | 130 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 140.2 | 177.3 | 27.2 | -31.1 | 0 | 0 | 0 | 110.6 | ||
| 413 | A | 34.3 | Very low | 39.6 | Very low | 91 Ų | 91 | 125.9 Ų | 125.9 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 144.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 414 | P | 35.3 | Very low | 42 | Very low | 114 Ų | 114 | 124 Ų | 124 | 74% | 0.74 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 147.2 | -178 | 25.2 | -32.5 | 0 | 0 | 0 | 111.5 | V416 | P414-V416 PolarHBondContact O-N 3.11Š|
| 415 | P | 33.9 | Very low | 44.7 | Very low | 124 Ų | 124 | 112.8 Ų | 112.8 | 81% | 0.805 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 131.7 | -175.8 | 24.7 | -32.6 | 0 | 0 | 0 | 111 | Q417 | P415-Q417 PolarHBondContact O-N 3.32Š|
| 416 | V | 39.5 | Very low | 47.1 | Very low | 135 Ų | 135 | 108.1 Ų | 108.1 | 82% | 0.818 | 62% | 0.622 | S | S | * | * | trans | -59.2 | 110.1 | 174.1 | 177.3 | 0 | 0 | 0 | 0 | 108.6 | P414 V418 | P414-V416 PolarHBondContact O-N 3.11Å; V416-V418 PolarHBondContact O-N 3.25Å | ||
| 417 | Q | 38.3 | Very low | 49.3 | Very low | 168 Ų | 168 | 105 Ų | 105 | 79% | 0.785 | 60% | 0.596 | S | S | * | * | trans | -58.6 | 111.2 | 171.1 | -106 | 172.6 | 1.9 | 0 | 0 | 108.9 | P415 Q419 | P415-Q417 PolarHBondContact O-N 3.32Å; Q417-Q419 VanDerWaalsContact C-N 3.34Å; Q417-Q419 PolarHBondContact O-N 3.38Å | ||
| 418 | V | 41.1 | Very low | 51.9 | Low | 137 Ų | 137 | 97.5 Ų | 97.5 | 83% | 0.83 | 56% | 0.555 | S | S | * | * | trans | -64.6 | 98.4 | 169 | -177.9 | 0 | 0 | 0 | 0 | 107.1 | V416 H420 | V416-V418 PolarHBondContact O-N 3.25Å; V418-H420 PolarHBondContact O-N 3.37Å | ||
| 419 | Q | 51.7 | Low | 54.2 | Low | 130 Ų | 130 | 88.3 Ų | 88.3 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | trans | -69.7 | 90.7 | -178.6 | -103.4 | 170.2 | -9.5 | 0 | 0 | 110 | P143 Q417 | P143-Q419 VanDerWaalsContact CD-O 3.26Å; P143-Q419 WeakPolarHBondContact CD-O 3.27Å; P143-Q419 HydrophobicContact CG-CB 3.77Å; P143-Q419 WeakPolarHBondContact CG-O 3.46Å; Q417-Q419 VanDerWaalsContact C-N 3.34Å; Q417-Q419 PolarHBondContact O-N 3.38Å | ||
| 420 | H | 57.5 | Low | 57 | Low | 170 Ų | 170 | 83.6 Ų | 83.6 | 79% | 0.787 | 49% | 0.489 | S | S | * | . | trans | -79.7 | 142 | 175.5 | -171 | -85.6 | 0 | 0 | 0 | 110.7 | V418 | V418-H420 PolarHBondContact O-N 3.37Š| ||
| 421 | L | 63.3 | Low | 59.5 | Low | 14 Ų | 14 | 79.1 Ų | 79.1 | 7% | 0.073 | 46% | 0.461 | C | S | . | . | trans | -60.1 | 138.6 | 172.7 | -87.4 | 80.1 | 0 | 0 | 0 | 110.5 | L140 H141 P143 Y423 Y425 | L140-L421 HydrophobicContact CB-CD2 4.32Å; L140-L421 HydrophobicContact CD2-CD2 4.09Å; L140-L421 HydrophobicContact CG-CD2 4.37Å; H141-L421 VanDerWaalsContact O-CD1 3.22Å; H141-L421 WeakPolarHBondContact O-CD1 3.37Å; P143-L421 HydrophobicContact CB-CD1 4.48Å; L421-Y423 VanDerWaalsContact C-N 3.26Å; L421-Y423 PolarHBondContact O-N 3.37Å; L421-Y425 HydrophobicContact CD2-CD1 4.31Å; L421-Y425 HydrophobicContact CD2-CD2 4.23Å; L421-Y425 HydrophobicContact CD2-CE1 4.19Å; L421-Y425 HydrophobicContact CD2-CE2 4.1Å; L421-Y425 HydrophobicContact CD2-CG 4.36Å | ||
| 422 | S | 62 | Low | 61.8 | Low | 71 Ų | 71 | 74.2 Ų | 74.2 | 50% | 0.497 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -67.1 | -27.4 | 178 | 50.5 | 0 | 0 | 0 | 0 | 113.3 | S57 | S57-S422 VanDerWaalsContact CB-OG 3.27Å; S57-S422 WeakPolarHBondContact CB-OG 2.85Å; S57-S422 PolarHBondContact OG-OG 3.09Å |
| 423 | Y | 69 | Low | 64.4 | Low | 15 Ų | 15 | 69.4 Ų | 69.4 | 6% | 0.059 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -161.2 | 166.6 | 174.5 | 61.8 | -79 | 0 | 0 | 0 | 109.3 | R61 H151 L421 Y425 F428 | R61-Y423 HydrophobicContact CG-CE1 3.76Å; R61-Y423 HydrophobicContact CG-CE2 4.39Å; R61-Y423 VanDerWaalsContact CG-OH 3.25Å; R61-Y423 WeakPolarHBondContact CG-OH 3.41Å; H151-Y423 AromaticContact NE2-CZ 3.79Å; H151-Y423 PolarHBondContact NE2-OH 3.3Å; L421-Y423 VanDerWaalsContact C-N 3.26Å; L421-Y423 PolarHBondContact O-N 3.37Å; Y423-Y425 HydrophobicContact CD1-CD1 4.31Å; Y423-Y425 HydrophobicContact CD1-CE1 4.01Å; Y423-Y425 AromaticContact CD2-CD1 3.7Å; Y423-Y425 HydrophobicContact CD2-CD1 3.7Å; Y423-Y425 HydrophobicContact CD2-CE1 4.24Å; Y423-Y425 AromaticContact CE1-CD1 3.99Å; Y423-Y425 HydrophobicContact CE1-CD1 3.99Å; Y423-Y425 AromaticContact CE1-CE1 3.61Å; Y423-Y425 HydrophobicContact CE1-CE1 3.61Å; Y423-Y425 AromaticContact CE2-CD1 3.34Å; Y423-Y425 HydrophobicContact CE2-CD1 3.34Å; Y423-Y425 AromaticContact CE2-CE1 3.88Å; Y423-Y425 HydrophobicContact CE2-CE1 3.88Å; Y423-Y425 HydrophobicContact CE2-CG 4.33Å; Y423-Y425 HydrophobicContact CG-CD1 4.17Å; Y423-Y425 HydrophobicContact CG-CE1 4.29Å; Y423-Y425 AromaticContact CZ-CD1 3.49Å; Y423-Y425 VanDerWaalsContact CZ-CD1 3.49Å; Y423-Y425 AromaticContact CZ-CE1 3.54Å; Y423-Y425 VanDerWaalsContact O-CD1 3.28Å; Y423-Y425 WeakPolarHBondContact O-CD1 2.96Å; Y423-Y425 WeakPolarHBondContact O-CE1 3.02Å; Y423-Y425 PolarHBondContact O-N 2.96Å; Y423-F428 HydrophobicContact CD2-CB 3.77Å; Y423-F428 HydrophobicContact CD2-CD2 4.33Å; Y423-F428 HydrophobicContact CD2-CG 4.17Å; Y423-F428 HydrophobicContact CE2-CB 3.57Å; Y423-F428 HydrophobicContact CE2-CD1 4.06Å; Y423-F428 AromaticContact CE2-CD2 3.84Å; Y423-F428 HydrophobicContact CE2-CD2 3.84Å; Y423-F428 AromaticContact CE2-CG 3.56Å; Y423-F428 HydrophobicContact CE2-CG 3.56Å |
| 424 | N | 76.2 | Confident | 66.8 | Low | 57 Ų | 57 | 65.8 Ų | 65.8 | 31% | 0.305 | 36% | 0.362 | S | S | . | . | trans | -83.9 | 118.3 | 173.6 | 174.1 | -10.6 | 0 | 0 | 0 | 108.6 | P368 S426 A427 F428 | P368-N424 HydrophobicContact CB-CB 3.26Å; P368-N424 HydrophobicContact CG-CB 3.18Å; N424-S426 VanDerWaalsContact C-N 3.31Å; N424-S426 PolarHBondContact O-N 3.28Å; N424-S426 WeakPolarHBondContact OD1-CA 3.44Å; N424-S426 WeakPolarHBondContact OD1-CB 3.45Å; N424-S426 PolarHBondContact OD1-N 3.49Å; N424-A427 HydrophobicContact CB-CB 4.48Å; N424-A427 PolarHBondContact OD1-N 2.96Å; N424-F428 PolarHBondContact O-N 3.34Å | ||
| 425 | Y | 81.9 | Confident | 68.9 | Low | 6 Ų | 6 | 60.6 Ų | 60.6 | 2% | 0.024 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.1 | -30.3 | -175.3 | -55 | -17.2 | 0 | 0 | 0 | 112.4 | L137 L140 A148 H151 N152 L421 Y423 F428 H429 | L137-Y425 HydrophobicContact CD2-CD2 4.36Å; L140-Y425 HydrophobicContact CD2-CD2 3.61Å; L140-Y425 HydrophobicContact CD2-CE2 3.99Å; A148-Y425 HydrophobicContact CB-CE2 4.24Å; H151-Y425 HydrophobicContact CB-CD2 3.84Å; H151-Y425 HydrophobicContact CB-CE2 4.1Å; H151-Y425 AromaticContact CD2-CD1 3.92Å; H151-Y425 AromaticContact CD2-CD2 3.32Å; H151-Y425 WeakPolarHBondContact CD2-CD2 3.4Å; H151-Y425 AromaticContact CD2-CE1 3.96Å; H151-Y425 AromaticContact CD2-CE2 3.37Å; H151-Y425 WeakPolarHBondContact CD2-CE2 3.5Å; H151-Y425 AromaticContact CD2-CG 3.59Å; H151-Y425 AromaticContact CD2-CZ 3.68Å; H151-Y425 AromaticContact CG-CD2 3.5Å; H151-Y425 AromaticContact CG-CE2 3.88Å; H151-Y425 AromaticContact CG-CG 3.92Å; H151-Y425 AromaticContact NE2-CD1 3.73Å; H151-Y425 AromaticContact NE2-CD2 3.89Å; H151-Y425 AromaticContact NE2-CG 3.65Å; N152-Y425 PolarHBondContact ND2-OH 3.39Å; L421-Y425 HydrophobicContact CD2-CD1 4.31Å; L421-Y425 HydrophobicContact CD2-CD2 4.23Å; L421-Y425 HydrophobicContact CD2-CE1 4.19Å; L421-Y425 HydrophobicContact CD2-CE2 4.1Å; L421-Y425 HydrophobicContact CD2-CG 4.36Å; Y423-Y425 HydrophobicContact CD1-CD1 4.31Å; Y423-Y425 HydrophobicContact CD1-CE1 4.01Å; Y423-Y425 AromaticContact CD2-CD1 3.7Å; Y423-Y425 HydrophobicContact CD2-CD1 3.7Å; Y423-Y425 HydrophobicContact CD2-CE1 4.24Å; Y423-Y425 AromaticContact CE1-CD1 3.99Å; Y423-Y425 HydrophobicContact CE1-CD1 3.99Å; Y423-Y425 AromaticContact CE1-CE1 3.61Å; Y423-Y425 HydrophobicContact CE1-CE1 3.61Å; Y423-Y425 AromaticContact CE2-CD1 3.34Å; Y423-Y425 HydrophobicContact CE2-CD1 3.34Å; Y423-Y425 AromaticContact CE2-CE1 3.88Å; Y423-Y425 HydrophobicContact CE2-CE1 3.88Å; Y423-Y425 HydrophobicContact CE2-CG 4.33Å; Y423-Y425 HydrophobicContact CG-CD1 4.17Å; Y423-Y425 HydrophobicContact CG-CE1 4.29Å; Y423-Y425 AromaticContact CZ-CD1 3.49Å; Y423-Y425 VanDerWaalsContact CZ-CD1 3.49Å; Y423-Y425 AromaticContact CZ-CE1 3.54Å; Y423-Y425 VanDerWaalsContact O-CD1 3.28Å; Y423-Y425 WeakPolarHBondContact O-CD1 2.96Å; Y423-Y425 WeakPolarHBondContact O-CE1 3.02Å; Y423-Y425 PolarHBondContact O-N 2.96Å; Y425-F428 WeakPolarHBondContact O-CB 3.47Å; Y425-F428 PolarHBondContact O-N 3.48Å; Y425-H429 PolarHBondContact O-CD2 3.4Å; Y425-H429 VanDerWaalsContact O-CD2 3.31Å; Y425-H429 PolarHBondContact O-N 3.26Å; Y425-H429 VanDerWaalsContact O-N 3.08Å |
| 426 | S | 84.3 | Confident | 71.4 | Confident | 18 Ų | 18 | 54.8 Ų | 54.8 | 13% | 0.126 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.2 | -51.6 | 176.9 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | A134 V138 N424 F428 H429 F430 | A134-S426 WeakPolarHBondContact CB-O 3.43Å; A134-S426 VanDerWaalsContact O-CB 3.3Å; A134-S426 WeakPolarHBondContact O-CB 3.47Å; A134-S426 PolarHBondContact O-OG 2.92Å; V138-S426 WeakPolarHBondContact CG2-OG 3.28Å; N424-S426 VanDerWaalsContact C-N 3.31Å; N424-S426 PolarHBondContact O-N 3.28Å; N424-S426 WeakPolarHBondContact OD1-CA 3.44Å; N424-S426 WeakPolarHBondContact OD1-CB 3.45Å; N424-S426 PolarHBondContact OD1-N 3.49Å; S426-F428 VanDerWaalsContact C-N 3.31Å; S426-F428 PolarHBondContact O-N 3.06Å; S426-H429 PolarHBondContact O-N 3.27Å; S426-F430 PolarHBondContact O-N 3.5Å |
| 427 | A | 79.6 | Confident | 73.7 | Confident | 28 Ų | 28 | 48.4 Ų | 48.4 | 23% | 0.231 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P368 N424 H429 F430 V431 | P368-A427 HydrophobicContact CB-CB 3.54Å; N424-A427 HydrophobicContact CB-CB 4.48Å; N424-A427 PolarHBondContact OD1-N 2.96Å; A427-H429 PolarHBondContact O-N 3.32Å; A427-F430 PolarHBondContact O-N 3.45Å; A427-V431 WeakPolarHBondContact O-CG2 3.33Å; A427-V431 PolarHBondContact O-N 2.83Å |
| 428 | F | 79.4 | Confident | 75.7 | Confident | 15 Ų | 15 | 41.7 Ų | 41.7 | 7% | 0.066 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -54.6 | -50.8 | 174.5 | 171.6 | -96.1 | 0 | 0 | 0 | 111.8 | R61 Y64 Y423 N424 Y425 S426 F430 V431 F432 | R61-F428 HydrophobicContact CB-CE2 4.35Å; R61-F428 HydrophobicContact CB-CZ 4.3Å; R61-F428 HydrophobicContact CG-CE2 3.92Å; R61-F428 HydrophobicContact CG-CZ 4.08Å; Y64-F428 AromaticContact CD2-CE1 3.69Å; Y64-F428 HydrophobicContact CD2-CE1 3.69Å; Y64-F428 HydrophobicContact CD2-CZ 4.26Å; Y64-F428 HydrophobicContact CG-CE1 4.07Å; Y423-F428 HydrophobicContact CD2-CB 3.77Å; Y423-F428 HydrophobicContact CD2-CD2 4.33Å; Y423-F428 HydrophobicContact CD2-CG 4.17Å; Y423-F428 HydrophobicContact CE2-CB 3.57Å; Y423-F428 HydrophobicContact CE2-CD1 4.06Å; Y423-F428 AromaticContact CE2-CD2 3.84Å; Y423-F428 HydrophobicContact CE2-CD2 3.84Å; Y423-F428 AromaticContact CE2-CG 3.56Å; Y423-F428 HydrophobicContact CE2-CG 3.56Å; N424-F428 PolarHBondContact O-N 3.34Å; Y425-F428 WeakPolarHBondContact O-CB 3.47Å; Y425-F428 PolarHBondContact O-N 3.48Å; S426-F428 VanDerWaalsContact C-N 3.31Å; S426-F428 PolarHBondContact O-N 3.06Å; F428-F430 PolarHBondContact O-N 3Å; F428-V431 PolarHBondContact O-N 3.44Å; F428-F432 HydrophobicContact CD1-CD2 4.28Å; F428-F432 HydrophobicContact CD1-CE2 4.43Å; F428-F432 HydrophobicContact CD2-CE2 4.12Å; F428-F432 AromaticContact CE1-CD2 3.95Å; F428-F432 HydrophobicContact CE1-CD2 3.95Å; F428-F432 AromaticContact CE1-CE2 3.82Å; F428-F432 HydrophobicContact CE1-CE2 3.82Å; F428-F432 HydrophobicContact CE2-CD2 4.22Å; F428-F432 AromaticContact CE2-CE2 3.48Å; F428-F432 HydrophobicContact CE2-CE2 3.48Å; F428-F432 VanDerWaalsContact CE2-CE2 3.48Å; F428-F432 HydrophobicContact CE2-CZ 4.45Å; F428-F432 AromaticContact CZ-CD2 3.92Å; F428-F432 HydrophobicContact CZ-CD2 3.92Å; F428-F432 AromaticContact CZ-CE2 3.3Å; F428-F432 HydrophobicContact CZ-CE2 3.3Å; F428-F432 HydrophobicContact CZ-CZ 4.19Å; F428-F432 WeakPolarHBondContact O-CD2 3.27Å; F428-F432 PolarHBondContact O-N 3.17Å |
| 429 | H | 85.9 | Confident | 77.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.3 | -32 | 178.6 | -81.1 | -59.2 | 0 | 0 | 0 | 113.7 | Y64 H130 Q133 A134 H151 Y425 S426 A427 V431 F432 F433 | Y64-H429 AromaticContact CD1-CE1 3.77Å; Y64-H429 AromaticContact CD2-CE1 3.83Å; Y64-H429 AromaticContact CE1-CE1 3.64Å; Y64-H429 AromaticContact CE2-CE1 3.64Å; Y64-H429 AromaticContact CE2-NE2 3.65Å; Y64-H429 AromaticContact CG-CE1 3.88Å; Y64-H429 AromaticContact CZ-CE1 3.54Å; Y64-H429 AromaticContact CZ-NE2 3.71Å; H130-H429 AromaticContact ND1-CE1 3.98Å; H130-H429 AromaticContact ND1-ND1 3.29Å; H130-H429 PolarHBondContact ND1-ND1 3.02Å; H130-H429 WeakPolarHBondContact O-CB 3.05Å; Q133-H429 HydrophobicContact CB-CB 4.25Å; Q133-H429 PolarHBondContact OE1-NE2 3.12Å; A134-H429 HydrophobicContact CB-CB 3.79Å; H151-H429 AromaticContact CE1-CD2 3.8Å; H151-H429 AromaticContact CE1-NE2 3.15Å; H151-H429 PolarHBondContact CE1-NE2 3.26Å; H151-H429 AromaticContact ND1-CD2 3.82Å; H151-H429 AromaticContact ND1-NE2 3.18Å; H151-H429 PolarHBondContact ND1-NE2 2.85Å; H151-H429 VanDerWaalsContact ND1-NE2 3.18Å; Y425-H429 PolarHBondContact O-CD2 3.4Å; Y425-H429 VanDerWaalsContact O-CD2 3.31Å; Y425-H429 PolarHBondContact O-N 3.26Å; Y425-H429 VanDerWaalsContact O-N 3.08Å; S426-H429 PolarHBondContact O-N 3.27Å; A427-H429 PolarHBondContact O-N 3.32Å; H429-V431 VanDerWaalsContact C-N 3.3Å; H429-V431 PolarHBondContact O-N 3.06Å; H429-F432 PolarHBondContact O-N 3.49Å; H429-F433 PolarHBondContact O-N 3.28Å |
| 430 | F | 86.8 | Confident | 79.2 | Confident | 96 Ų | 96 | 29.4 Ų | 29.4 | 42% | 0.421 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63.4 | -37 | 174.2 | -172.3 | -104 | 0 | 0 | 0 | 112.2 | A134 S426 A427 F428 F433 L434 | A134-F430 HydrophobicContact CB-CB 4.27Å; S426-F430 PolarHBondContact O-N 3.5Å; A427-F430 PolarHBondContact O-N 3.45Å; F428-F430 PolarHBondContact O-N 3Å; F430-F433 AromaticContact CD2-CD1 3.98Å; F430-F433 HydrophobicContact CD2-CD1 3.98Å; F430-F433 AromaticContact CE2-CD1 3.83Å; F430-F433 HydrophobicContact CE2-CD1 3.83Å; F430-F433 HydrophobicContact CE2-CE1 4.06Å; F430-F433 WeakPolarHBondContact O-CB 3.5Å; F430-F433 PolarHBondContact O-N 2.83Å; F430-L434 HydrophobicContact CD1-CD1 4.15Å; F430-L434 HydrophobicContact CD1-CG 4.46Å; F430-L434 HydrophobicContact CE1-CD1 3.72Å; F430-L434 HydrophobicContact CE1-CG 4.11Å; F430-L434 HydrophobicContact CZ-CD1 4.36Å; F430-L434 HydrophobicContact CZ-CD2 4.38Å; F430-L434 HydrophobicContact CZ-CG 4.37Å; F430-L434 WeakPolarHBondContact O-CG 3.21Å; F430-L434 PolarHBondContact O-N 3.33Å |
| 431 | V | 79.6 | Confident | 80.2 | Confident | 34 Ų | 34 | 21.3 Ų | 21.3 | 21% | 0.206 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.2 | -42.6 | 172.6 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | F192 L195 A427 F428 H429 F433 L434 A435 | F192-V431 HydrophobicContact CE2-CG1 4.12Å; L195-V431 HydrophobicContact CD2-CB 4.34Å; L195-V431 HydrophobicContact CD2-CG1 3.9Å; L195-V431 HydrophobicContact CD2-CG2 3.74Å; A427-V431 WeakPolarHBondContact O-CG2 3.33Å; A427-V431 PolarHBondContact O-N 2.83Å; F428-V431 PolarHBondContact O-N 3.44Å; H429-V431 VanDerWaalsContact C-N 3.3Å; H429-V431 PolarHBondContact O-N 3.06Å; V431-F433 VanDerWaalsContact C-N 3.33Å; V431-F433 PolarHBondContact O-N 3.11Å; V431-L434 PolarHBondContact O-N 3.38Å; V431-A435 WeakPolarHBondContact O-CB 3.48Å; V431-A435 PolarHBondContact O-N 2.75Å |
| 432 | F | 82.4 | Confident | 80.9 | Confident | 11 Ų | 11 | 22.3 Ų | 22.3 | 5% | 0.048 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.9 | -33.9 | 175.1 | -85.4 | -78.5 | 0 | 0 | 0 | 113.4 | I65 H68 H130 F428 H429 A435 S436 | I65-F432 HydrophobicContact CG1-CZ 3.78Å; H68-F432 HydrophobicContact CB-CD1 3.73Å; H68-F432 HydrophobicContact CB-CE1 3.67Å; H68-F432 AromaticContact CG-CD1 3.61Å; H68-F432 AromaticContact CG-CE1 3.86Å; H68-F432 AromaticContact ND1-CD1 3.8Å; H130-F432 HydrophobicContact CB-CB 4.13Å; F428-F432 HydrophobicContact CD1-CD2 4.28Å; F428-F432 HydrophobicContact CD1-CE2 4.43Å; F428-F432 HydrophobicContact CD2-CE2 4.12Å; F428-F432 AromaticContact CE1-CD2 3.95Å; F428-F432 HydrophobicContact CE1-CD2 3.95Å; F428-F432 AromaticContact CE1-CE2 3.82Å; F428-F432 HydrophobicContact CE1-CE2 3.82Å; F428-F432 HydrophobicContact CE2-CD2 4.22Å; F428-F432 AromaticContact CE2-CE2 3.48Å; F428-F432 HydrophobicContact CE2-CE2 3.48Å; F428-F432 VanDerWaalsContact CE2-CE2 3.48Å; F428-F432 HydrophobicContact CE2-CZ 4.45Å; F428-F432 AromaticContact CZ-CD2 3.92Å; F428-F432 HydrophobicContact CZ-CD2 3.92Å; F428-F432 AromaticContact CZ-CE2 3.3Å; F428-F432 HydrophobicContact CZ-CE2 3.3Å; F428-F432 HydrophobicContact CZ-CZ 4.19Å; F428-F432 WeakPolarHBondContact O-CD2 3.27Å; F428-F432 PolarHBondContact O-N 3.17Å; H429-F432 PolarHBondContact O-N 3.49Å; F432-A435 WeakPolarHBondContact O-CB 3.28Å; F432-A435 PolarHBondContact O-N 3.47Å; F432-S436 PolarHBondContact O-N 2.74Å; F432-S436 PolarHBondContact O-OG 2.01Å |
| 433 | F | 91.3 | Very high | 81.4 | Confident | 23 Ų | 23 | 20 Ų | 20 | 10% | 0.101 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.4 | -50.1 | 171 | 160.4 | -106.7 | 0 | 0 | 0 | 111 | A127 H130 L131 H429 F430 V431 A435 S436 L437 | A127-F433 HydrophobicContact CB-CD2 3.8Å; A127-F433 HydrophobicContact CB-CE2 4.08Å; A127-F433 WeakPolarHBondContact O-CD2 3.47Å; H130-F433 HydrophobicContact CB-CB 4.1Å; L131-F433 HydrophobicContact CB-CD2 3.84Å; L131-F433 HydrophobicContact CB-CE2 4.24Å; L131-F433 HydrophobicContact CB-CG 4.23Å; L131-F433 HydrophobicContact CD1-CD1 4.38Å; L131-F433 HydrophobicContact CD1-CE1 4.47Å; L131-F433 HydrophobicContact CD1-CG 4.38Å; L131-F433 HydrophobicContact CD2-CD2 4.49Å; L131-F433 HydrophobicContact CD2-CE2 4.07Å; L131-F433 HydrophobicContact CD2-CZ 4.33Å; H429-F433 PolarHBondContact O-N 3.28Å; F430-F433 AromaticContact CD2-CD1 3.98Å; F430-F433 HydrophobicContact CD2-CD1 3.98Å; F430-F433 AromaticContact CE2-CD1 3.83Å; F430-F433 HydrophobicContact CE2-CD1 3.83Å; F430-F433 HydrophobicContact CE2-CE1 4.06Å; F430-F433 WeakPolarHBondContact O-CB 3.5Å; F430-F433 PolarHBondContact O-N 2.83Å; V431-F433 VanDerWaalsContact C-N 3.33Å; V431-F433 PolarHBondContact O-N 3.11Å; F433-A435 VanDerWaalsContact C-N 3.31Å; F433-A435 PolarHBondContact O-N 2.73Å; F433-S436 PolarHBondContact O-N 3.38Å; F433-L437 HydrophobicContact CD2-CD1 4.46Å; F433-L437 HydrophobicContact CE1-CD1 3.91Å; F433-L437 HydrophobicContact CE2-CD1 3.82Å; F433-L437 HydrophobicContact CE2-CG 4.25Å; F433-L437 HydrophobicContact CZ-CD1 3.51Å; F433-L437 HydrophobicContact CZ-CG 4.42Å; F433-L437 PolarHBondContact O-N 2.75Å |
| 434 | L | 84.6 | Confident | 81.6 | Confident | 15 Ų | 15 | 19.2 Ų | 19.2 | 8% | 0.079 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.7 | -37.6 | 175.6 | -67.2 | -179.1 | 0 | 0 | 0 | 112.1 | A191 F192 F430 V431 S436 L437 Y438 | A191-L434 HydrophobicContact CB-CD1 4.4Å; A191-L434 HydrophobicContact CB-CD2 4.25Å; F192-L434 HydrophobicContact CB-CB 4.04Å; F192-L434 HydrophobicContact CD2-CB 3.77Å; F192-L434 HydrophobicContact CG-CB 4.36Å; F430-L434 HydrophobicContact CD1-CD1 4.15Å; F430-L434 HydrophobicContact CD1-CG 4.46Å; F430-L434 HydrophobicContact CE1-CD1 3.72Å; F430-L434 HydrophobicContact CE1-CG 4.11Å; F430-L434 HydrophobicContact CZ-CD1 4.36Å; F430-L434 HydrophobicContact CZ-CD2 4.38Å; F430-L434 HydrophobicContact CZ-CG 4.37Å; F430-L434 WeakPolarHBondContact O-CG 3.21Å; F430-L434 PolarHBondContact O-N 3.33Å; V431-L434 PolarHBondContact O-N 3.38Å; L434-S436 PolarHBondContact O-N 2.93Å; L434-L437 PolarHBondContact O-N 2.81Å; L434-Y438 PolarHBondContact O-N 3.26Å |
| 435 | A | 78.8 | Confident | 81.3 | Confident | 5 Ų | 5 | 17.4 Ų | 17.4 | 4% | 0.041 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.8 | -42.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F192 V431 F432 F433 L437 Y438 V439 | F192-A435 HydrophobicContact CD2-CB 4.1Å; F192-A435 HydrophobicContact CE2-CB 3.51Å; F192-A435 HydrophobicContact CZ-CB 3.74Å; V431-A435 WeakPolarHBondContact O-CB 3.48Å; V431-A435 PolarHBondContact O-N 2.75Å; F432-A435 WeakPolarHBondContact O-CB 3.28Å; F432-A435 PolarHBondContact O-N 3.47Å; F433-A435 VanDerWaalsContact C-N 3.31Å; F433-A435 PolarHBondContact O-N 2.73Å; A435-L437 VanDerWaalsContact C-N 3.32Å; A435-L437 PolarHBondContact O-N 2.91Å; A435-Y438 WeakPolarHBondContact O-CB 3.34Å; A435-Y438 PolarHBondContact O-N 2.94Å; A435-V439 WeakPolarHBondContact O-CG2 3.16Å; A435-V439 PolarHBondContact O-N 3.44Å |
| 436 | S | 86.4 | Confident | 80.9 | Confident | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.014 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 176.3 | -78.9 | 0 | 0 | 0 | 0 | 111.9 | H68 T126 F432 F433 L434 M440 | H68-S436 PolarHBondContact CE1-N 3.28Å; H68-S436 PolarHBondContact CE1-OG 2.72Å; H68-S436 VanDerWaalsContact CE1-OG 3.25Å; T126-S436 PolarHBondContact OG1-OG 2.94Å; F432-S436 PolarHBondContact O-N 2.74Å; F432-S436 PolarHBondContact O-OG 2.01Å; F433-S436 PolarHBondContact O-N 3.38Å; L434-S436 PolarHBondContact O-N 2.93Å; S436-M440 PolarHBondContact O-N 2.92Å; S436-M440 VanDerWaalsContact O-N 3.08Å |
| 437 | L | 87.3 | Confident | 80 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.8 | -40 | 175.2 | -63.7 | 179.6 | 0 | 0 | 0 | 111.7 | A127 W181 I184 F433 L434 A435 M440 V441 | A127-L437 HydrophobicContact CB-CD2 4.14Å; A127-L437 HydrophobicContact CB-CG 4.49Å; W181-L437 HydrophobicContact CH2-CD2 4.2Å; W181-L437 HydrophobicContact CZ2-CD2 3.65Å; I184-L437 HydrophobicContact CG2-CD1 3.98Å; I184-L437 HydrophobicContact CG2-CD2 4.18Å; F433-L437 HydrophobicContact CD2-CD1 4.46Å; F433-L437 HydrophobicContact CE1-CD1 3.91Å; F433-L437 HydrophobicContact CE2-CD1 3.82Å; F433-L437 HydrophobicContact CE2-CG 4.25Å; F433-L437 HydrophobicContact CZ-CD1 3.51Å; F433-L437 HydrophobicContact CZ-CG 4.42Å; F433-L437 PolarHBondContact O-N 2.75Å; L434-L437 PolarHBondContact O-N 2.81Å; A435-L437 VanDerWaalsContact C-N 3.32Å; A435-L437 PolarHBondContact O-N 2.91Å; L437-M440 HydrophobicContact CD2-CE 4.16Å; L437-M440 WeakPolarHBondContact O-CB 3.31Å; L437-M440 PolarHBondContact O-N 2.92Å; L437-V441 PolarHBondContact O-N 3.47Å; L437-V441 VanDerWaalsContact O-N 3.13Å |
| 438 | Y | 81.9 | Confident | 79.1 | Confident | 28 Ų | 28 | 23.9 Ų | 23.9 | 11% | 0.11 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.3 | -45.9 | 174.4 | 173.8 | -105.6 | 0 | 0 | 0 | 112.7 | F192 I193 L434 A435 M440 V441 T442 W446 | F192-Y438 HydrophobicContact CB-CG 4.47Å; F192-Y438 AromaticContact CD1-CD1 3.68Å; F192-Y438 HydrophobicContact CD1-CD1 3.68Å; F192-Y438 HydrophobicContact CD1-CD2 4.06Å; F192-Y438 HydrophobicContact CD1-CE1 4.43Å; F192-Y438 AromaticContact CD1-CG 3.46Å; F192-Y438 HydrophobicContact CD1-CG 3.46Å; F192-Y438 VanDerWaalsContact CD1-CG 3.46Å; F192-Y438 AromaticContact CE1-CD1 3.79Å; F192-Y438 HydrophobicContact CE1-CD1 3.79Å; F192-Y438 HydrophobicContact CE1-CE1 4.38Å; F192-Y438 HydrophobicContact CE1-CG 4.08Å; F192-Y438 HydrophobicContact CG-CG 4.27Å; I193-Y438 HydrophobicContact CD1-CE2 4.13Å; I193-Y438 HydrophobicContact CG1-CD2 4.07Å; I193-Y438 HydrophobicContact CG1-CE2 3.81Å; L434-Y438 PolarHBondContact O-N 3.26Å; A435-Y438 WeakPolarHBondContact O-CB 3.34Å; A435-Y438 PolarHBondContact O-N 2.94Å; Y438-M440 VanDerWaalsContact C-N 3.27Å; Y438-M440 PolarHBondContact O-N 2.96Å; Y438-V441 WeakPolarHBondContact O-CG2 3.08Å; Y438-V441 PolarHBondContact O-N 3.41Å; Y438-T442 VanDerWaalsContact CE2-OG1 3.28Å; Y438-T442 WeakPolarHBondContact CE2-OG1 3.2Å; Y438-T442 WeakPolarHBondContact O-CB 3.42Å; Y438-T442 PolarHBondContact O-N 3.22Å; Y438-T442 PolarHBondContact O-OG1 3.34Å; Y438-W446 HydrophobicContact CE2-CZ2 4.41Å |
| 439 | V | 80.1 | Confident | 78.3 | Confident | 9 Ų | 9 | 26 Ų | 26 | 6% | 0.055 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.8 | -44.2 | 175.5 | 169.2 | 0 | 0 | 0 | 0 | 110.2 | A435 T442 L443 | A435-V439 WeakPolarHBondContact O-CG2 3.16Å; A435-V439 PolarHBondContact O-N 3.44Å; V439-T442 PolarHBondContact O-N 3.5Å; V439-L443 HydrophobicContact CG1-CD1 3.77Å; V439-L443 HydrophobicContact CG1-CG 4.32Å; V439-L443 WeakPolarHBondContact O-CB 3.16Å; V439-L443 WeakPolarHBondContact O-CG 3.3Å; V439-L443 PolarHBondContact O-N 3.48Å |
| 440 | M | 84.6 | Confident | 76.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.5 | -56.9 | 178.4 | -171.5 | 175.6 | 68.9 | 0 | 0 | 112.4 | Y120 C123 W181 S436 L437 Y438 T442 L443 T444 | Y120-M440 HydrophobicContact CD1-CE 4.41Å; Y120-M440 HydrophobicContact CD1-CG 4.32Å; Y120-M440 HydrophobicContact CD1-SD 3.72Å; Y120-M440 HydrophobicContact CD2-CG 4.32Å; Y120-M440 HydrophobicContact CE1-CE 4.16Å; Y120-M440 HydrophobicContact CE1-CG 4.38Å; Y120-M440 HydrophobicContact CE1-SD 3.99Å; Y120-M440 HydrophobicContact CE2-CG 4.43Å; Y120-M440 HydrophobicContact CG-CG 4.23Å; Y120-M440 HydrophobicContact CG-SD 4.04Å; C123-M440 HydrophobicContact CB-CB 3.6Å; C123-M440 HydrophobicContact CB-CG 3.83Å; C123-M440 HydrophobicContact CB-SD 3.95Å; W181-M440 HydrophobicContact CG-CE 4.46Å; W181-M440 HydrophobicContact CG-SD 4.46Å; W181-M440 PolarHBondContact NE1-SD 2.83Å; W181-M440 WeakPolarHBondContact O-CE 3.35Å; S436-M440 PolarHBondContact O-N 2.92Å; S436-M440 VanDerWaalsContact O-N 3.08Å; L437-M440 HydrophobicContact CD2-CE 4.16Å; L437-M440 WeakPolarHBondContact O-CB 3.31Å; L437-M440 PolarHBondContact O-N 2.92Å; Y438-M440 VanDerWaalsContact C-N 3.27Å; Y438-M440 PolarHBondContact O-N 2.96Å; M440-T442 VanDerWaalsContact C-N 3.32Å; M440-T442 PolarHBondContact O-N 3.21Å; M440-L443 PolarHBondContact O-N 2.87Å; M440-T444 WeakPolarHBondContact O-CB 3.41Å; M440-T444 WeakPolarHBondContact O-CG2 2.91Å; M440-T444 PolarHBondContact O-N 3.29Å; M440-T444 VanDerWaalsContact O-N 3.09Å; M440-T444 PolarHBondContact O-OG1 3.44Å |
| 441 | V | 79.8 | Confident | 75.2 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.8 | -29.7 | -176.3 | -62.9 | 0 | 0 | 0 | 0 | 112.5 | G185 I186 L437 Y438 N445 W446 | G185-V441 WeakPolarHBondContact O-CG1 3.23Å; I186-V441 HydrophobicContact CG1-CG1 4.28Å; L437-V441 PolarHBondContact O-N 3.47Å; L437-V441 VanDerWaalsContact O-N 3.13Å; Y438-V441 WeakPolarHBondContact O-CG2 3.08Å; Y438-V441 PolarHBondContact O-N 3.41Å; V441-N445 PolarHBondContact O-N 2.9Å; V441-W446 HydrophobicContact CB-CD2 4.41Å; V441-W446 HydrophobicContact CG2-CD2 4.25Å; V441-W446 HydrophobicContact CG2-CE3 4.5Å; V441-W446 HydrophobicContact CG2-CH2 4.22Å; V441-W446 HydrophobicContact CG2-CZ2 3.94Å; V441-W446 PolarHBondContact O-N 2.91Å |
| 442 | T | 76.5 | Confident | 74 | Confident | 34 Ų | 34 | 30.4 Ų | 30.4 | 21% | 0.209 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.9 | -44.9 | 177.4 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | Y438 V439 M440 T444 | Y438-T442 VanDerWaalsContact CE2-OG1 3.28Å; Y438-T442 WeakPolarHBondContact CE2-OG1 3.2Å; Y438-T442 WeakPolarHBondContact O-CB 3.42Å; Y438-T442 PolarHBondContact O-N 3.22Å; Y438-T442 PolarHBondContact O-OG1 3.34Å; V439-T442 PolarHBondContact O-N 3.5Å; M440-T442 VanDerWaalsContact C-N 3.32Å; M440-T442 PolarHBondContact O-N 3.21Å; T442-T444 VanDerWaalsContact C-N 3.3Å; T442-T444 PolarHBondContact O-N 2.62Å |
| 443 | L | 72.9 | Confident | 72.7 | Confident | 22 Ų | 22 | 31 Ų | 31 | 12% | 0.115 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -72 | -26.8 | 178.4 | -68.9 | -179.2 | 0 | 0 | 0 | 112.3 | C75 L79 V119 V439 M440 | C75-L443 HydrophobicContact CB-CD1 3.54Å; L79-L443 HydrophobicContact CD2-CB 4.08Å; L79-L443 WeakPolarHBondContact CD2-O 3.18Å; V119-L443 HydrophobicContact CG1-CB 4.07Å; V119-L443 HydrophobicContact CG1-CD1 4.12Å; V439-L443 HydrophobicContact CG1-CD1 3.77Å; V439-L443 HydrophobicContact CG1-CG 4.32Å; V439-L443 WeakPolarHBondContact O-CB 3.16Å; V439-L443 WeakPolarHBondContact O-CG 3.3Å; V439-L443 PolarHBondContact O-N 3.48Å; M440-L443 PolarHBondContact O-N 2.87Å |
| 444 | T | 74.4 | Confident | 70.8 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 20.8 | -175.1 | 63.8 | 0 | 0 | 0 | 0 | 114.1 | V119 Y120 M440 T442 W446 | V119-T444 HydrophobicContact CB-CG2 4.04Å; V119-T444 HydrophobicContact CG1-CG2 3.9Å; Y120-T444 HydrophobicContact CD2-CG2 3.75Å; Y120-T444 VanDerWaalsContact CE2-CB 3.5Å; Y120-T444 HydrophobicContact CE2-CG2 3.5Å; Y120-T444 VanDerWaalsContact CE2-OG1 3.24Å; Y120-T444 WeakPolarHBondContact CE2-OG1 3.23Å; Y120-T444 PolarHBondContact OH-OG1 3.48Å; M440-T444 WeakPolarHBondContact O-CB 3.41Å; M440-T444 WeakPolarHBondContact O-CG2 2.91Å; M440-T444 PolarHBondContact O-N 3.29Å; M440-T444 VanDerWaalsContact O-N 3.09Å; M440-T444 PolarHBondContact O-OG1 3.44Å; T442-T444 VanDerWaalsContact C-N 3.3Å; T442-T444 PolarHBondContact O-N 2.62Å; T444-W446 PolarHBondContact O-N 3.5Å |
| 445 | N | 69.6 | Low | 69.2 | Low | 18 Ų | 18 | 33.5 Ų | 33.5 | 10% | 0.096 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 36.1 | 171 | -160.2 | 26 | 0 | 0 | 0 | 115 | V441 F447 S448 A452 T457 S462 T465 | V441-N445 PolarHBondContact O-N 2.9Å; N445-F447 PolarHBondContact O-N 3.25Å; N445-S448 PolarHBondContact O-N 3.09Å; N445-A452 HydrophobicContact CB-CB 4.49Å; N445-T457 HydrophobicContact CB-CG2 3.96Å; N445-S462 WeakPolarHBondContact OD1-CB 3.25Å; N445-T465 PolarHBondContact OD1-OG1 3.35Å |
| 446 | W | 72.9 | Confident | 68 | Low | 10 Ų | 10 | 37.1 Ų | 37.1 | 4% | 0.038 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | -81.1 | 174.1 | -74.5 | 71.8 | 0 | 0 | 0 | 115.3 | H182 I193 Y438 V441 T444 V468 | H182-W446 PolarHBondContact CE1-O 2.98Å; I193-W446 HydrophobicContact CD1-CH2 3.54Å; I193-W446 HydrophobicContact CD1-CZ2 3.63Å; Y438-W446 HydrophobicContact CE2-CZ2 4.41Å; V441-W446 HydrophobicContact CB-CD2 4.41Å; V441-W446 HydrophobicContact CG2-CD2 4.25Å; V441-W446 HydrophobicContact CG2-CE3 4.5Å; V441-W446 HydrophobicContact CG2-CH2 4.22Å; V441-W446 HydrophobicContact CG2-CZ2 3.94Å; V441-W446 PolarHBondContact O-N 2.91Å; T444-W446 PolarHBondContact O-N 3.5Å; W446-V468 HydrophobicContact CD2-CG1 4.32Å; W446-V468 HydrophobicContact CD2-CG2 4.06Å; W446-V468 HydrophobicContact CE3-CG1 4.3Å; W446-V468 HydrophobicContact CE3-CG2 3.75Å; W446-V468 HydrophobicContact CH2-CG1 3.61Å; W446-V468 HydrophobicContact CH2-CG2 4.47Å; W446-V468 HydrophobicContact CZ2-CG1 3.62Å; W446-V468 HydrophobicContact CZ3-CG1 3.94Å; W446-V468 HydrophobicContact CZ3-CG2 3.96Å |
| 447 | F | 64.7 | Low | 66.4 | Low | 107 Ų | 107 | 38.1 Ų | 38.1 | 47% | 0.469 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 0.8 | -169.3 | -61.9 | -91.1 | 0 | 0 | 0 | 114 | I186 N445 A464 V468 | I186-F447 HydrophobicContact CD1-CD1 3.77Å; I186-F447 HydrophobicContact CD1-CE1 3.77Å; I186-F447 HydrophobicContact CG1-CE1 4.49Å; I186-F447 HydrophobicContact CG2-CE1 4.14Å; I186-F447 HydrophobicContact CG2-CZ 4.15Å; N445-F447 PolarHBondContact O-N 3.25Å; F447-A464 HydrophobicContact CB-CB 4.16Å; F447-A464 HydrophobicContact CD2-CB 3.34Å; F447-A464 HydrophobicContact CE2-CB 4.05Å; F447-A464 HydrophobicContact CG-CB 4.1Å; F447-V468 HydrophobicContact CE2-CG2 4.14Å |
| 448 | S | 61.4 | Low | 64.8 | Low | 72 Ų | 72 | 41.3 Ų | 41.3 | 50% | 0.503 | 22% | 0.215 | S | C | . | . | trans | -133.9 | 79.1 | -179.2 | -172.1 | 0 | 0 | 0 | 0 | 110.9 | N445 | N445-S448 PolarHBondContact O-N 3.09Š| ||
| 449 | Y | 62.4 | Low | 63.4 | Low | 58 Ų | 58 | 45.4 Ų | 45.4 | 23% | 0.227 | 24% | 0.237 | C | C | . | . | trans | -87.6 | -23.9 | -172 | 72.8 | -87.2 | 0 | 0 | 0 | 114.1 | S116 F178 H182 G451 A452 | S116-Y449 PolarHBondContact OG-O 3.17Å; S116-Y449 VanDerWaalsContact OG-O 3.06Å; F178-Y449 HydrophobicContact CB-CE2 4.37Å; F178-Y449 HydrophobicContact CD2-CE2 4.04Å; H182-Y449 AromaticContact CE1-CD1 3.87Å; H182-Y449 AromaticContact ND1-CD1 3.92Å; Y449-G451 PolarHBondContact O-N 3.28Å; Y449-A452 PolarHBondContact O-N 2.91Å | ||
| 450 | E | 55.8 | Low | 62.4 | Low | 167 Ų | 167 | 51.2 Ų | 51.2 | 78% | 0.78 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -9.9 | -172.9 | -67.2 | 178 | -178.4 | 0 | 0 | 114.7 | ||
| 451 | G | 52.4 | Low | 61.5 | Low | 51 Ų | 51 | 51.9 Ų | 51.9 | 53% | 0.526 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.6 | 18.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y449 E453 | Y449-G451 PolarHBondContact O-N 3.28Å; G451-E453 PolarHBondContact O-N 2.8Å |
| 452 | A | 53.2 | Low | 61.4 | Low | 5 Ų | 5 | 52.7 Ų | 52.7 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | trans | -73.4 | 113.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N445 Y449 | N445-A452 HydrophobicContact CB-CB 4.49Å; Y449-A452 PolarHBondContact O-N 2.91Å | ||
| 453 | E | 56.6 | Low | 61.6 | Low | 23 Ų | 23 | 56.5 Ų | 56.5 | 11% | 0.107 | 29% | 0.285 | C | S | . | . | trans | -124.5 | 138.8 | 169.2 | -64.1 | 166.7 | 40.9 | 0 | 0 | 107.5 | R81 G451 E455 K456 T457 | R81-E453 VanDerWaalsContact CD-OE1 3.3Å; R81-E453 WeakPolarHBondContact CD-OE1 3.47Å; R81-E453 IonicContact CZ-OE1 2.66Å; R81-E453 IonicContact CZ-OE2 3.34Å; R81-E453 VanDerWaalsContact NE-CD 3.27Å; R81-E453 IonicContact NE-OE1 3.86Å; R81-E453 PolarHBondContact NE-OE1 3.1Å; R81-E453 IonicContact NE-OE2 2.69Å; R81-E453 IonicContact NH1-OE1 3.43Å; R81-E453 PolarHBondContact NH1-OE1 3.16Å; R81-E453 IonicContact NH1-OE2 2.95Å; R81-E453 PolarHBondContact NH1-OE2 2.05Å; R81-E453 IonicContact NH2-OE1 3.71Å; R81-E453 PolarHBondContact NH2-OE1 2.99Å; R81-E453 IonicContact NH2-OE2 3.55Å; R81-E453 PolarHBondContact NH2-OE2 2.94Å; G451-E453 PolarHBondContact O-N 2.8Å; E453-E455 VanDerWaalsContact C-N 3.25Å; E453-E455 PolarHBondContact O-N 2.87Å; E453-K456 HydrophobicContact CB-CB 4.12Å; E453-K456 HydrophobicContact CB-CD 4.35Å; E453-K456 HydrophobicContact CB-CG 4.17Å; E453-K456 VanDerWaalsContact CD-CD 3.46Å; E453-K456 VanDerWaalsContact CD-CE 3.45Å; E453-K456 HydrophobicContact CG-CD 4.37Å; E453-K456 PolarHBondContact O-N 3.06Å; E453-K456 WeakPolarHBondContact OE1-CD 3.45Å; E453-K456 WeakPolarHBondContact OE1-CE 3.45Å; E453-K456 IonicContact OE1-NZ 2.66Å; E453-K456 PolarHBondContact OE1-NZ 2.9Å; E453-K456 WeakPolarHBondContact OE2-CD 3.48Å; E453-K456 WeakPolarHBondContact OE2-CE 3.44Å; E453-K456 IonicContact OE2-NZ 3.43Å; E453-K456 PolarHBondContact OE2-NZ 2.85Å; E453-T457 WeakPolarHBondContact O-CB 3.48Å; E453-T457 PolarHBondContact O-N 2.87Å; E453-T457 PolarHBondContact O-OG1 3.3Å | ||
| 454 | L | 49.5 | Very low | 62 | Low | 33 Ų | 33 | 56.8 Ų | 56.8 | 17% | 0.173 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -52.7 | -47.6 | -173.5 | -168.3 | 67.9 | 0 | 0 | 0 | 111.3 | L79 K456 T457 F458 | L79-L454 HydrophobicContact CB-CB 4.17Å; L79-L454 HydrophobicContact CD2-CB 4.04Å; L79-L454 HydrophobicContact CD2-CD1 3.79Å; L79-L454 HydrophobicContact CG-CB 3.79Å; L79-L454 HydrophobicContact CG-CD1 4.4Å; L79-L454 WeakPolarHBondContact O-CB 3.46Å; L79-L454 PolarHBondContact O-N 3.31Å; L454-K456 PolarHBondContact O-N 3.42Å; L454-T457 PolarHBondContact O-N 3.42Å; L454-F458 HydrophobicContact CD1-CD2 4.3Å; L454-F458 HydrophobicContact CD1-CE2 3.32Å; L454-F458 HydrophobicContact CD1-CZ 3.77Å; L454-F458 HydrophobicContact CD2-CE2 4.46Å; L454-F458 HydrophobicContact CG-CD2 4.14Å; L454-F458 HydrophobicContact CG-CE2 3.53Å; L454-F458 HydrophobicContact CG-CZ 4.45Å; L454-F458 WeakPolarHBondContact O-CD2 3.21Å; L454-F458 PolarHBondContact O-N 3.21Å |
| 455 | E | 51.1 | Low | 62.1 | Low | 58 Ų | 58 | 57.4 Ų | 57.4 | 27% | 0.271 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | -180 | -66.6 | 162.2 | -161.9 | 0 | 0 | 112.3 | T82 E453 I459 | T82-E455 WeakPolarHBondContact CB-OE1 3.43Å; T82-E455 PolarHBondContact N-OE1 3.5Å; T82-E455 PolarHBondContact OG1-OE1 3.38Å; E453-E455 VanDerWaalsContact C-N 3.25Å; E453-E455 PolarHBondContact O-N 2.87Å; E455-I459 WeakPolarHBondContact O-CB 3.3Å; E455-I459 VanDerWaalsContact O-CD1 3.28Å; E455-I459 WeakPolarHBondContact O-CD1 3.36Å; E455-I459 WeakPolarHBondContact O-CG1 3.48Å; E455-I459 PolarHBondContact O-N 2.89Å |
| 456 | K | 54.6 | Low | 62.8 | Low | 81 Ų | 81 | 56.5 Ų | 56.5 | 35% | 0.352 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -77.5 | -35.1 | 179.7 | -66.1 | -174.6 | -176.7 | 165.6 | 0 | 112.6 | E453 L454 F458 I459 K460 | E453-K456 HydrophobicContact CB-CB 4.12Å; E453-K456 HydrophobicContact CB-CD 4.35Å; E453-K456 HydrophobicContact CB-CG 4.17Å; E453-K456 VanDerWaalsContact CD-CD 3.46Å; E453-K456 VanDerWaalsContact CD-CE 3.45Å; E453-K456 HydrophobicContact CG-CD 4.37Å; E453-K456 PolarHBondContact O-N 3.06Å; E453-K456 WeakPolarHBondContact OE1-CD 3.45Å; E453-K456 WeakPolarHBondContact OE1-CE 3.45Å; E453-K456 IonicContact OE1-NZ 2.66Å; E453-K456 PolarHBondContact OE1-NZ 2.9Å; E453-K456 WeakPolarHBondContact OE2-CD 3.48Å; E453-K456 WeakPolarHBondContact OE2-CE 3.44Å; E453-K456 IonicContact OE2-NZ 3.43Å; E453-K456 PolarHBondContact OE2-NZ 2.85Å; L454-K456 PolarHBondContact O-N 3.42Å; K456-F458 PolarHBondContact O-N 2.87Å; K456-I459 PolarHBondContact O-N 3.44Å; K456-K460 VanDerWaalsContact O-CB 3.25Å; K456-K460 WeakPolarHBondContact O-CB 3.31Å; K456-K460 PolarHBondContact O-N 2.88Å |
| 457 | T | 52.5 | Low | 63.6 | Low | 23 Ų | 23 | 61.8 Ų | 61.8 | 14% | 0.141 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.7 | -37.9 | 177.3 | -58.7 | 0 | 0 | 0 | 0 | 110.5 | N445 E453 L454 G461 | N445-T457 HydrophobicContact CB-CG2 3.96Å; E453-T457 WeakPolarHBondContact O-CB 3.48Å; E453-T457 PolarHBondContact O-N 2.87Å; E453-T457 PolarHBondContact O-OG1 3.3Å; L454-T457 PolarHBondContact O-N 3.42Å; T457-G461 PolarHBondContact O-N 3.07Å |
| 458 | F | 53 | Low | 64.5 | Low | 69 Ų | 69 | 57.9 Ų | 57.9 | 30% | 0.303 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -79.5 | -30.8 | 177.5 | -63 | -50.2 | 0 | 0 | 0 | 114.3 | A345 M348 L454 K456 | A345-F458 HydrophobicContact CB-CD2 4.24Å; A345-F458 HydrophobicContact CB-CE2 3.98Å; A345-F458 HydrophobicContact CB-CZ 4.32Å; M348-F458 HydrophobicContact CE-CD1 4.46Å; M348-F458 HydrophobicContact CE-CE1 3.25Å; M348-F458 HydrophobicContact CE-CZ 3.36Å; M348-F458 HydrophobicContact SD-CE1 3.9Å; L454-F458 HydrophobicContact CD1-CD2 4.3Å; L454-F458 HydrophobicContact CD1-CE2 3.32Å; L454-F458 HydrophobicContact CD1-CZ 3.77Å; L454-F458 HydrophobicContact CD2-CE2 4.46Å; L454-F458 HydrophobicContact CG-CD2 4.14Å; L454-F458 HydrophobicContact CG-CE2 3.53Å; L454-F458 HydrophobicContact CG-CZ 4.45Å; L454-F458 WeakPolarHBondContact O-CD2 3.21Å; L454-F458 PolarHBondContact O-N 3.21Å; K456-F458 PolarHBondContact O-N 2.87Å |
| 459 | I | 53.2 | Low | 65.5 | Low | 113 Ų | 113 | 55.9 Ų | 55.9 | 58% | 0.579 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -84.5 | -34.2 | -179.8 | -65.1 | 167.8 | 0 | 0 | 0 | 111.9 | E455 K456 | E455-I459 WeakPolarHBondContact O-CB 3.3Å; E455-I459 VanDerWaalsContact O-CD1 3.28Å; E455-I459 WeakPolarHBondContact O-CD1 3.36Å; E455-I459 WeakPolarHBondContact O-CG1 3.48Å; E455-I459 PolarHBondContact O-N 2.89Å; K456-I459 PolarHBondContact O-N 3.44Å |
| 460 | K | 59.8 | Low | 66.9 | Low | 132 Ų | 132 | 53.2 Ų | 53.2 | 57% | 0.574 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -98.4 | -22.1 | -174.8 | -64.3 | -172.1 | 176.3 | -172.9 | 0 | 114.5 | P310 P311 K456 | P310-K460 WeakPolarHBondContact CA-O 3.4Å; P310-K460 WeakPolarHBondContact CB-O 3.5Å; P311-K460 WeakPolarHBondContact CD-O 3.07Å; K456-K460 VanDerWaalsContact O-CB 3.25Å; K456-K460 WeakPolarHBondContact O-CB 3.31Å; K456-K460 PolarHBondContact O-N 2.88Å |
| 461 | G | 65.6 | Low | 68.6 | Low | 14 Ų | 14 | 47.5 Ų | 47.5 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | trans | 62 | 174.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S308 T457 | S308-G461 CarbonylContact O-C 3.58Å; S308-G461 VanDerWaalsContact O-CA 3.32Å; S308-G461 WeakPolarHBondContact O-CA 3.45Å; T457-G461 PolarHBondContact O-N 3.07Å | ||
| 462 | S | 76.6 | Confident | 70.2 | Confident | 17 Ų | 17 | 45.5 Ų | 45.5 | 12% | 0.119 | 23% | 0.226 | C | C | . | . | trans | -148 | 129.8 | 176.3 | 171.4 | 0 | 0 | 0 | 0 | 111 | S308 N445 A464 T465 F466 | S308-S462 CarbonylContact O-C 3.58Å; S308-S462 PolarHBondContact O-N 3.31Å; S308-S462 VanDerWaalsContact O-O 3.08Å; N445-S462 WeakPolarHBondContact OD1-CB 3.25Å; S462-A464 PolarHBondContact O-N 3.11Å; S462-A464 PolarHBondContact OG-N 3.37Å; S462-T465 PolarHBondContact O-N 3.43Å; S462-F466 WeakPolarHBondContact O-CB 3.28Å; S462-F466 PolarHBondContact O-N 3.17Å | ||
| 463 | W | 82.2 | Confident | 72 | Confident | 113 Ų | 113 | 45.3 Ų | 45.3 | 43% | 0.428 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.2 | -32.6 | 173.5 | -77.2 | 118.2 | 0 | 0 | 0 | 112.6 | L255 R309 P310 F466 W467 | L255-W463 HydrophobicContact CD2-CH2 3.94Å; L255-W463 HydrophobicContact CD2-CZ3 3.77Å; R309-W463 HydrophobicContact CG-CH2 4.02Å; R309-W463 HydrophobicContact CG-CZ2 4.46Å; R309-W463 HydrophobicContact CG-CZ3 4.07Å; P310-W463 VanDerWaalsContact CG-CD1 3.48Å; P310-W463 HydrophobicContact CG-CD2 3.9Å; P310-W463 HydrophobicContact CG-CG 3.87Å; P310-W463 HydrophobicContact CG-CZ2 4.2Å; W463-F466 AromaticContact CE3-CD1 3.96Å; W463-F466 HydrophobicContact CE3-CD1 3.96Å; W463-F466 HydrophobicContact CE3-CE1 4.46Å; W463-F466 HydrophobicContact CE3-CG 4.27Å; W463-F466 HydrophobicContact CZ3-CD1 4.12Å; W463-F466 HydrophobicContact CZ3-CE1 4.2Å; W463-F466 HydrophobicContact CZ3-CG 4.49Å; W463-F466 WeakPolarHBondContact O-CB 3.15Å; W463-F466 PolarHBondContact O-N 3.31Å; W463-W467 PolarHBondContact O-N 3.36Å |
| 464 | A | 80.4 | Confident | 73.9 | Confident | 28 Ų | 28 | 48.7 Ų | 48.7 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.4 | -46.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111 | F447 S462 F466 W467 V468 | F447-A464 HydrophobicContact CB-CB 4.16Å; F447-A464 HydrophobicContact CD2-CB 3.34Å; F447-A464 HydrophobicContact CE2-CB 4.05Å; F447-A464 HydrophobicContact CG-CB 4.1Å; S462-A464 PolarHBondContact O-N 3.11Å; S462-A464 PolarHBondContact OG-N 3.37Å; A464-F466 VanDerWaalsContact C-N 3.29Å; A464-F466 PolarHBondContact O-N 2.98Å; A464-W467 PolarHBondContact O-N 3.21Å; A464-V468 VanDerWaalsContact O-CG2 3.3Å; A464-V468 WeakPolarHBondContact O-CG2 3.29Å; A464-V468 PolarHBondContact O-N 2.66Å |
| 465 | T | 76.7 | Confident | 75.9 | Confident | 13 Ų | 13 | 48.3 Ų | 48.3 | 8% | 0.08 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.1 | -38.8 | 173.7 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | N445 S462 K469 | N445-T465 PolarHBondContact OD1-OG1 3.35Å; S462-T465 PolarHBondContact O-N 3.43Å; T465-K469 HydrophobicContact CG2-CD 4.32Å; T465-K469 VanDerWaalsContact O-CG 3.31Å; T465-K469 WeakPolarHBondContact O-CG 3.44Å; T465-K469 PolarHBondContact O-N 3.3Å |
| 466 | F | 84.1 | Confident | 77.6 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.2 | -55.4 | 173 | 170.8 | -88.2 | 0 | 0 | 0 | 111.5 | L255 L259 A305 L306 R309 S462 W463 A464 V468 K469 V470 | L255-F466 HydrophobicContact CD2-CE1 4.27Å; L255-F466 HydrophobicContact CD2-CZ 4.04Å; L255-F466 HydrophobicContact CG-CZ 4.45Å; L259-F466 HydrophobicContact CD2-CE2 4.17Å; L259-F466 HydrophobicContact CD2-CZ 3.78Å; A305-F466 HydrophobicContact CB-CD2 4.29Å; A305-F466 HydrophobicContact CB-CE2 4.47Å; A305-F466 VanDerWaalsContact O-CD2 3.27Å; A305-F466 WeakPolarHBondContact O-CD2 3.11Å; L306-F466 HydrophobicContact CD2-CE2 4.28Å; R309-F466 HydrophobicContact CB-CD2 3.96Å; R309-F466 HydrophobicContact CB-CE2 4.46Å; R309-F466 HydrophobicContact CG-CD2 4.4Å; S462-F466 WeakPolarHBondContact O-CB 3.28Å; S462-F466 PolarHBondContact O-N 3.17Å; W463-F466 AromaticContact CE3-CD1 3.96Å; W463-F466 HydrophobicContact CE3-CD1 3.96Å; W463-F466 HydrophobicContact CE3-CE1 4.46Å; W463-F466 HydrophobicContact CE3-CG 4.27Å; W463-F466 HydrophobicContact CZ3-CD1 4.12Å; W463-F466 HydrophobicContact CZ3-CE1 4.2Å; W463-F466 HydrophobicContact CZ3-CG 4.49Å; W463-F466 WeakPolarHBondContact O-CB 3.15Å; W463-F466 PolarHBondContact O-N 3.31Å; A464-F466 VanDerWaalsContact C-N 3.29Å; A464-F466 PolarHBondContact O-N 2.98Å; F466-V468 PolarHBondContact O-N 3.49Å; F466-K469 PolarHBondContact O-N 3.37Å; F466-V470 HydrophobicContact CD1-CG2 4.32Å; F466-V470 HydrophobicContact CE1-CG2 3.93Å; F466-V470 HydrophobicContact CE2-CG2 4.36Å; F466-V470 HydrophobicContact CZ-CG2 3.95Å; F466-V470 WeakPolarHBondContact O-CG2 2.92Å; F466-V470 PolarHBondContact O-N 2.81Å |
| 467 | W | 89.7 | Confident | 79.5 | Confident | 121 Ų | 121 | 41.9 Ų | 41.9 | 46% | 0.458 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -69.3 | -34.2 | -175 | -77.6 | 117.3 | 0 | 0 | 0 | 113.4 | W463 A464 K469 V470 A471 W474 | W463-W467 PolarHBondContact O-N 3.36Å; A464-W467 PolarHBondContact O-N 3.21Å; W467-K469 VanDerWaalsContact C-N 3.32Å; W467-K469 PolarHBondContact O-N 2.99Å; W467-V470 HydrophobicContact CE3-CB 4.15Å; W467-V470 HydrophobicContact CE3-CG1 4.12Å; W467-V470 HydrophobicContact CZ3-CG1 4.08Å; W467-V470 PolarHBondContact O-N 3.17Å; W467-A471 VanDerWaalsContact O-CB 3.3Å; W467-A471 WeakPolarHBondContact O-CB 3.23Å; W467-A471 PolarHBondContact O-N 3.34Å; W467-W474 HydrophobicContact CZ3-CH2 4.1Å |
| 468 | V | 83.9 | Confident | 81.4 | Confident | 24 Ų | 24 | 46.5 Ų | 46.5 | 15% | 0.145 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.6 | -47.6 | 171.9 | 168.7 | 0 | 0 | 0 | 0 | 110.3 | I193 W446 F447 A464 F466 V470 A471 S472 | I193-V468 HydrophobicContact CD1-CG1 3.74Å; W446-V468 HydrophobicContact CD2-CG1 4.32Å; W446-V468 HydrophobicContact CD2-CG2 4.06Å; W446-V468 HydrophobicContact CE3-CG1 4.3Å; W446-V468 HydrophobicContact CE3-CG2 3.75Å; W446-V468 HydrophobicContact CH2-CG1 3.61Å; W446-V468 HydrophobicContact CH2-CG2 4.47Å; W446-V468 HydrophobicContact CZ2-CG1 3.62Å; W446-V468 HydrophobicContact CZ3-CG1 3.94Å; W446-V468 HydrophobicContact CZ3-CG2 3.96Å; F447-V468 HydrophobicContact CE2-CG2 4.14Å; A464-V468 VanDerWaalsContact O-CG2 3.3Å; A464-V468 WeakPolarHBondContact O-CG2 3.29Å; A464-V468 PolarHBondContact O-N 2.66Å; F466-V468 PolarHBondContact O-N 3.49Å; V468-V470 PolarHBondContact O-N 2.79Å; V468-A471 PolarHBondContact O-N 2.86Å; V468-S472 PolarHBondContact O-N 2.72Å; V468-S472 PolarHBondContact O-OG 2.88Å |
| 469 | K | 82.9 | Confident | 83.1 | Confident | 31 Ų | 31 | 45.7 Ų | 45.7 | 14% | 0.135 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.2 | -36.9 | -179.9 | -68.3 | 173.8 | 178.2 | -173.3 | 0 | 112.9 | S304 A305 S308 T465 F466 W467 S472 C473 | S304-K469 VanDerWaalsContact C-CD 3.48Å; S304-K469 WeakPolarHBondContact O-CD 3.43Å; S304-K469 PolarHBondContact O-NZ 3.47Å; S304-K469 WeakPolarHBondContact OG-CD 3.33Å; S304-K469 VanDerWaalsContact OG-CE 3.23Å; S304-K469 WeakPolarHBondContact OG-CE 3.45Å; S304-K469 PolarHBondContact OG-NZ 3.19Å; A305-K469 HydrophobicContact CB-CB 3.75Å; S308-K469 PolarHBondContact OG-NZ 3.33Å; T465-K469 HydrophobicContact CG2-CD 4.32Å; T465-K469 VanDerWaalsContact O-CG 3.31Å; T465-K469 WeakPolarHBondContact O-CG 3.44Å; T465-K469 PolarHBondContact O-N 3.3Å; F466-K469 PolarHBondContact O-N 3.37Å; W467-K469 VanDerWaalsContact C-N 3.32Å; W467-K469 PolarHBondContact O-N 2.99Å; K469-S472 PolarHBondContact O-N 3.38Å; K469-C473 PolarHBondContact O-N 3.41Å; K469-C473 VanDerWaalsContact O-N 3.09Å |
| 470 | V | 90.8 | Very high | 84.9 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.3 | -47 | 173.3 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | L259 A305 F466 W467 V468 S472 C473 W474 | L259-V470 HydrophobicContact CD1-CG1 3.84Å; L259-V470 HydrophobicContact CD1-CG2 4.28Å; L259-V470 HydrophobicContact CD2-CG2 3.66Å; A305-V470 HydrophobicContact CB-CG2 3.86Å; F466-V470 HydrophobicContact CD1-CG2 4.32Å; F466-V470 HydrophobicContact CE1-CG2 3.93Å; F466-V470 HydrophobicContact CE2-CG2 4.36Å; F466-V470 HydrophobicContact CZ-CG2 3.95Å; F466-V470 WeakPolarHBondContact O-CG2 2.92Å; F466-V470 PolarHBondContact O-N 2.81Å; W467-V470 HydrophobicContact CE3-CB 4.15Å; W467-V470 HydrophobicContact CE3-CG1 4.12Å; W467-V470 HydrophobicContact CZ3-CG1 4.08Å; W467-V470 PolarHBondContact O-N 3.17Å; V468-V470 PolarHBondContact O-N 2.79Å; V470-S472 VanDerWaalsContact C-N 3.32Å; V470-S472 PolarHBondContact O-N 3.14Å; V470-C473 WeakPolarHBondContact O-CA 3.42Å; V470-C473 VanDerWaalsContact O-CB 3.25Å; V470-C473 WeakPolarHBondContact O-CB 3.48Å; V470-C473 PolarHBondContact O-N 3.33Å; V470-C473 VanDerWaalsContact O-N 3.07Å; V470-W474 HydrophobicContact CG1-CD2 4.06Å; V470-W474 VanDerWaalsContact CG1-CE2 3.44Å; V470-W474 HydrophobicContact CG1-CE3 4.49Å; V470-W474 HydrophobicContact CG1-CH2 3.89Å; V470-W474 HydrophobicContact CG1-CZ2 3.36Å; V470-W474 HydrophobicContact CG1-CZ3 4.41Å; V470-W474 PolarHBondContact O-N 3.34Å |
| 471 | A | 91.8 | Very high | 86.3 | Confident | 47 Ų | 47 | 35.6 Ų | 35.6 | 39% | 0.388 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | W467 V468 C473 W474 A475 | W467-A471 VanDerWaalsContact O-CB 3.3Å; W467-A471 WeakPolarHBondContact O-CB 3.23Å; W467-A471 PolarHBondContact O-N 3.34Å; V468-A471 PolarHBondContact O-N 2.86Å; A471-C473 VanDerWaalsContact C-N 3.27Å; A471-C473 PolarHBondContact O-N 3.37Å; A471-W474 PolarHBondContact O-N 3.04Å; A471-A475 WeakPolarHBondContact O-CB 3.33Å; A471-A475 PolarHBondContact O-N 2.73Å |
| 472 | S | 86.2 | Confident | 87.4 | Confident | 10 Ų | 10 | 36.7 Ų | 36.7 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.9 | -39.4 | 172.7 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | I193 L197 V468 K469 V470 A475 C476 | I193-S472 WeakPolarHBondContact CG2-OG 3.33Å; L197-S472 WeakPolarHBondContact CD1-O 3.12Å; V468-S472 PolarHBondContact O-N 2.72Å; V468-S472 PolarHBondContact O-OG 2.88Å; K469-S472 PolarHBondContact O-N 3.38Å; V470-S472 VanDerWaalsContact C-N 3.32Å; V470-S472 PolarHBondContact O-N 3.14Å; S472-A475 PolarHBondContact O-N 2.8Å; S472-C476 WeakPolarHBondContact O-CB 3.38Å; S472-C476 PolarHBondContact O-N 2.69Å |
| 473 | C | 90.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 175.8 | -172.8 | 0 | 0 | 0 | 0 | 111.3 | H263 L301 K469 V470 A471 C476 V477 | H263-C473 VanDerWaalsContact CE1-SG 3.59Å; L301-C473 HydrophobicContact CB-CB 4.14Å; L301-C473 HydrophobicContact CD1-CB 4.06Å; K469-C473 PolarHBondContact O-N 3.41Å; K469-C473 VanDerWaalsContact O-N 3.09Å; V470-C473 WeakPolarHBondContact O-CA 3.42Å; V470-C473 VanDerWaalsContact O-CB 3.25Å; V470-C473 WeakPolarHBondContact O-CB 3.48Å; V470-C473 PolarHBondContact O-N 3.33Å; V470-C473 VanDerWaalsContact O-N 3.07Å; A471-C473 VanDerWaalsContact C-N 3.27Å; A471-C473 PolarHBondContact O-N 3.37Å; C473-C476 WeakPolarHBondContact O-CB 3.12Å; C473-C476 PolarHBondContact O-N 3.2Å; C473-V477 WeakPolarHBondContact O-CG2 2.91Å; C473-V477 PolarHBondContact O-N 2.96Å |
| 474 | W | 96 | Very high | 87.9 | Confident | 95 Ų | 95 | 33.6 Ų | 33.6 | 36% | 0.36 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.8 | -41 | 177.8 | -60.1 | -14 | 0 | 0 | 0 | 112 | L259 H263 F266 W467 V470 A471 C476 V477 L478 | L259-W474 HydrophobicContact CD1-CZ2 4.4Å; H263-W474 AromaticContact CD2-NE1 3.91Å; H263-W474 AromaticContact NE2-CD1 3.63Å; H263-W474 AromaticContact NE2-NE1 3.16Å; H263-W474 PolarHBondContact NE2-NE1 3.08Å; H263-W474 VanDerWaalsContact NE2-NE1 3.16Å; F266-W474 AromaticContact CE2-CD1 3.94Å; W467-W474 HydrophobicContact CZ3-CH2 4.1Å; V470-W474 HydrophobicContact CG1-CD2 4.06Å; V470-W474 VanDerWaalsContact CG1-CE2 3.44Å; V470-W474 HydrophobicContact CG1-CE3 4.49Å; V470-W474 HydrophobicContact CG1-CH2 3.89Å; V470-W474 HydrophobicContact CG1-CZ2 3.36Å; V470-W474 HydrophobicContact CG1-CZ3 4.41Å; V470-W474 PolarHBondContact O-N 3.34Å; A471-W474 PolarHBondContact O-N 3.04Å; W474-C476 VanDerWaalsContact C-N 3.32Å; W474-C476 PolarHBondContact O-N 2.69Å; W474-V477 PolarHBondContact O-N 3.07Å; W474-L478 WeakPolarHBondContact O-CB 3.21Å; W474-L478 VanDerWaalsContact O-CG 3.3Å; W474-L478 WeakPolarHBondContact O-CG 3.04Å; W474-L478 PolarHBondContact O-N 2.95Å |
| 475 | A | 91.9 | Very high | 88.1 | Confident | 25 Ų | 25 | 35.2 Ų | 35.2 | 21% | 0.207 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.2 | -41.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L194 L197 A471 S472 L478 L479 | L194-A475 HydrophobicContact CD2-CB 4.48Å; L197-A475 HydrophobicContact CD1-CB 3.75Å; A471-A475 WeakPolarHBondContact O-CB 3.33Å; A471-A475 PolarHBondContact O-N 2.73Å; S472-A475 PolarHBondContact O-N 2.8Å; A475-L478 PolarHBondContact O-N 2.87Å; A475-L479 WeakPolarHBondContact O-CB 3.04Å; A475-L479 VanDerWaalsContact O-CG 3.23Å; A475-L479 WeakPolarHBondContact O-CG 3.49Å; A475-L479 PolarHBondContact O-N 3.09Å |
| 476 | C | 87.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.6 | -47 | 174.6 | -171.1 | 0 | 0 | 0 | 0 | 111.9 | L197 S472 C473 W474 L479 Y480 | L197-C476 HydrophobicContact CD2-CB 3.81Å; S472-C476 WeakPolarHBondContact O-CB 3.38Å; S472-C476 PolarHBondContact O-N 2.69Å; C473-C476 WeakPolarHBondContact O-CB 3.12Å; C473-C476 PolarHBondContact O-N 3.2Å; W474-C476 VanDerWaalsContact C-N 3.32Å; W474-C476 PolarHBondContact O-N 2.69Å; C476-L479 PolarHBondContact O-N 3.43Å; C476-Y480 WeakPolarHBondContact O-CB 3.3Å; C476-Y480 PolarHBondContact O-N 3.27Å |
| 477 | V | 93.6 | Very high | 88.2 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.8 | -47.2 | 177 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | F266 I298 C473 W474 L479 Y480 L481 | F266-V477 HydrophobicContact CB-CG1 4.23Å; F266-V477 HydrophobicContact CB-CG2 4.03Å; F266-V477 HydrophobicContact CD1-CG1 4.37Å; F266-V477 HydrophobicContact CD2-CG1 4.38Å; F266-V477 HydrophobicContact CD2-CG2 4.09Å; F266-V477 HydrophobicContact CG-CG1 4.1Å; F266-V477 HydrophobicContact CG-CG2 4.28Å; I298-V477 HydrophobicContact CD1-CG2 3.61Å; I298-V477 HydrophobicContact CG1-CG2 4.2Å; C473-V477 WeakPolarHBondContact O-CG2 2.91Å; C473-V477 PolarHBondContact O-N 2.96Å; W474-V477 PolarHBondContact O-N 3.07Å; V477-L479 PolarHBondContact O-N 2.95Å; V477-Y480 PolarHBondContact O-N 3.05Å; V477-L481 HydrophobicContact CG1-CD1 3.73Å; V477-L481 HydrophobicContact CG1-CG 4.23Å; V477-L481 WeakPolarHBondContact O-CB 3.43Å; V477-L481 VanDerWaalsContact O-CG 3.26Å; V477-L481 WeakPolarHBondContact O-CG 3.41Å; V477-L481 PolarHBondContact O-N 3.28Å |
| 478 | L | 93.5 | Very high | 87.6 | Confident | 121 Ų | 121 | 34.2 Ų | 34.2 | 63% | 0.634 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -63.4 | -41.4 | 179 | -70.7 | 173.7 | 0 | 0 | 0 | 112.4 | W474 A475 G482 | W474-L478 WeakPolarHBondContact O-CB 3.21Å; W474-L478 VanDerWaalsContact O-CG 3.3Å; W474-L478 WeakPolarHBondContact O-CG 3.04Å; W474-L478 PolarHBondContact O-N 2.95Å; A475-L478 PolarHBondContact O-N 2.87Å; L478-G482 PolarHBondContact O-N 2.93Å |
| 479 | L | 88.4 | Confident | 87.1 | Confident | 51 Ų | 51 | 38.1 Ų | 38.1 | 27% | 0.267 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 175.3 | -75.1 | 169.5 | 0 | 0 | 0 | 111.1 | L197 V198 A475 C476 V477 G482 L483 | L197-L479 HydrophobicContact CB-CD1 3.81Å; V198-L479 HydrophobicContact CG2-CD1 4Å; V198-L479 HydrophobicContact CG2-CD2 4.31Å; A475-L479 WeakPolarHBondContact O-CB 3.04Å; A475-L479 VanDerWaalsContact O-CG 3.23Å; A475-L479 WeakPolarHBondContact O-CG 3.49Å; A475-L479 PolarHBondContact O-N 3.09Å; C476-L479 PolarHBondContact O-N 3.43Å; V477-L479 PolarHBondContact O-N 2.95Å; L479-G482 PolarHBondContact O-N 2.63Å; L479-L483 VanDerWaalsContact O-CG 3.31Å; L479-L483 WeakPolarHBondContact O-CG 3.31Å; L479-L483 PolarHBondContact O-N 2.83Å |
| 480 | Y | 89.4 | Confident | 86.2 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 2% | 0.02 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 178.6 | -173.9 | -97.8 | 0 | 0 | 0 | 112.3 | T201 I270 S274 Q290 I294 C476 V477 G482 L483 L484 | T201-Y480 HydrophobicContact CG2-CD2 3.9Å; I270-Y480 HydrophobicContact CB-CD1 3.83Å; I270-Y480 HydrophobicContact CB-CE1 3.75Å; I270-Y480 HydrophobicContact CD1-CD1 4.49Å; I270-Y480 HydrophobicContact CG2-CD1 3.82Å; I270-Y480 HydrophobicContact CG2-CE1 4.27Å; S274-Y480 PolarHBondContact OG-OH 3.43Å; Q290-Y480 HydrophobicContact CG-CE2 4.47Å; Q290-Y480 WeakPolarHBondContact CG-OH 3.48Å; Q290-Y480 PolarHBondContact NE2-OH 2.94Å; I294-Y480 HydrophobicContact CD1-CD2 4.46Å; I294-Y480 HydrophobicContact CG1-CD2 3.81Å; I294-Y480 HydrophobicContact CG1-CE2 3.95Å; I294-Y480 HydrophobicContact CG2-CG 4.41Å; C476-Y480 WeakPolarHBondContact O-CB 3.3Å; C476-Y480 PolarHBondContact O-N 3.27Å; V477-Y480 PolarHBondContact O-N 3.05Å; Y480-G482 VanDerWaalsContact C-N 3.35Å; Y480-G482 PolarHBondContact O-N 2.78Å; Y480-L483 PolarHBondContact O-N 3.07Å; Y480-L484 HydrophobicContact CD1-CD1 3.82Å; Y480-L484 HydrophobicContact CD1-CG 4.34Å; Y480-L484 HydrophobicContact CE1-CD1 3.26Å; Y480-L484 HydrophobicContact CE1-CG 3.93Å; Y480-L484 PolarHBondContact O-N 3.15Å |
| 481 | L | 90.9 | Very high | 84.5 | Confident | 28 Ų | 28 | 49.7 Ų | 49.7 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 175 | -73 | 175.3 | 0 | 0 | 0 | 111.3 | I270 L273 V477 L483 L484 L485 | I270-L481 HydrophobicContact CG2-CD2 3.95Å; I270-L481 HydrophobicContact CG2-CG 4.26Å; L273-L481 HydrophobicContact CD1-CD2 3.45Å; L273-L481 VanDerWaalsContact CD1-CD2 3.45Å; V477-L481 HydrophobicContact CG1-CD1 3.73Å; V477-L481 HydrophobicContact CG1-CG 4.23Å; V477-L481 WeakPolarHBondContact O-CB 3.43Å; V477-L481 VanDerWaalsContact O-CG 3.26Å; V477-L481 WeakPolarHBondContact O-CG 3.41Å; V477-L481 PolarHBondContact O-N 3.28Å; L481-L483 VanDerWaalsContact C-N 3.29Å; L481-L483 PolarHBondContact O-N 3.42Å; L481-L484 PolarHBondContact O-N 3.17Å; L481-L485 VanDerWaalsContact O-CB 3.31Å; L481-L485 WeakPolarHBondContact O-CB 3.36Å; L481-L485 VanDerWaalsContact O-CG 3.23Å; L481-L485 WeakPolarHBondContact O-CG 3.45Å; L481-L485 PolarHBondContact O-N 3.22Å |
| 482 | G | 88.1 | Confident | 82.5 | Confident | 38 Ų | 38 | 52.3 Ų | 52.3 | 39% | 0.392 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.1 | -42.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | L478 L479 Y480 L485 A486 | L478-G482 PolarHBondContact O-N 2.93Å; L479-G482 PolarHBondContact O-N 2.63Å; Y480-G482 VanDerWaalsContact C-N 3.35Å; Y480-G482 PolarHBondContact O-N 2.78Å; G482-L485 PolarHBondContact O-N 3.5Å; G482-A486 WeakPolarHBondContact O-CA 3.37Å; G482-A486 WeakPolarHBondContact O-CB 3.34Å; G482-A486 PolarHBondContact O-N 3.4Å |
| 483 | L | 84.1 | Confident | 80.4 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 31% | 0.314 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 176.9 | -71.6 | 167.2 | 0 | 0 | 0 | 113 | T201 L479 Y480 L481 P487 | T201-L483 HydrophobicContact CG2-CD1 3.38Å; L479-L483 VanDerWaalsContact O-CG 3.31Å; L479-L483 WeakPolarHBondContact O-CG 3.31Å; L479-L483 PolarHBondContact O-N 2.83Å; Y480-L483 PolarHBondContact O-N 3.07Å; L481-L483 VanDerWaalsContact C-N 3.29Å; L481-L483 PolarHBondContact O-N 3.42Å; L483-P487 WeakPolarHBondContact O-CD 3.41Å |
| 484 | L | 84.7 | Confident | 78 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.6 | -35.1 | 176.4 | -74 | 178.9 | 0 | 0 | 0 | 112.9 | L273 I279 Y480 L481 | L273-L484 HydrophobicContact CB-CD1 4.22Å; I279-L484 HydrophobicContact CD1-CB 4.5Å; I279-L484 HydrophobicContact CG2-CD2 4.24Å; Y480-L484 HydrophobicContact CD1-CD1 3.82Å; Y480-L484 HydrophobicContact CD1-CG 4.34Å; Y480-L484 HydrophobicContact CE1-CD1 3.26Å; Y480-L484 HydrophobicContact CE1-CG 3.93Å; Y480-L484 PolarHBondContact O-N 3.15Å; L481-L484 PolarHBondContact O-N 3.17Å |
| 485 | L | 85.5 | Confident | 75.1 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 33% | 0.33 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -94.2 | -21.4 | -173.1 | -62.1 | 176.6 | 0 | 0 | 0 | 113.3 | I279 L481 G482 P487 L488 C489 | I279-L485 HydrophobicContact CD1-CD2 4.18Å; L481-L485 VanDerWaalsContact O-CB 3.31Å; L481-L485 WeakPolarHBondContact O-CB 3.36Å; L481-L485 VanDerWaalsContact O-CG 3.23Å; L481-L485 WeakPolarHBondContact O-CG 3.45Å; L481-L485 PolarHBondContact O-N 3.22Å; G482-L485 PolarHBondContact O-N 3.5Å; L485-P487 VanDerWaalsContact C-CD 3.48Å; L485-P487 VanDerWaalsContact C-N 3.35Å; L485-L488 HydrophobicContact CD2-CD1 3.89Å; L485-L488 WeakPolarHBondContact O-CA 3.32Å; L485-L488 WeakPolarHBondContact O-CB 3.32Å; L485-L488 PolarHBondContact O-N 3Å; L485-C489 PolarHBondContact O-N 3.45Å; L485-C489 VanDerWaalsContact O-N 3.09Å |
| 486 | A | 84.1 | Confident | 72.4 | Confident | 35 Ų | 35 | 76.2 Ų | 76.2 | 29% | 0.289 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -52.9 | -42.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | F379 G482 L488 C489 W490 | F379-A486 HydrophobicContact CZ-CB 4.12Å; G482-A486 WeakPolarHBondContact O-CA 3.37Å; G482-A486 WeakPolarHBondContact O-CB 3.34Å; G482-A486 PolarHBondContact O-N 3.4Å; A486-L488 PolarHBondContact O-N 3.11Å; A486-C489 PolarHBondContact O-N 2.94Å; A486-W490 PolarHBondContact O-N 2.91Å |
| 487 | P | 78.1 | Confident | 69.7 | Low | 21 Ų | 21 | 84.7 Ų | 84.7 | 14% | 0.136 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -65.4 | -19.2 | 175.7 | -21.8 | 34.4 | 0 | 0 | 0 | 114.8 | K282 F379 L483 L485 | K282-P487 HydrophobicContact CB-CB 4.12Å; F379-P487 HydrophobicContact CE1-CB 4.46Å; F379-P487 HydrophobicContact CE1-CG 4.36Å; F379-P487 HydrophobicContact CZ-CG 4.22Å; L483-P487 WeakPolarHBondContact O-CD 3.41Å; L485-P487 VanDerWaalsContact C-CD 3.48Å; L485-P487 VanDerWaalsContact C-N 3.35Å |
| 488 | L | 76.9 | Confident | 67 | Low | 56 Ų | 56 | 90 Ų | 90 | 29% | 0.293 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -85.4 | -40.8 | 176.2 | -61.5 | 172.4 | 0 | 0 | 0 | 111.3 | C278 I279 K282 L485 A486 | C278-L488 VanDerWaalsContact SG-CD2 3.57Å; I279-L488 HydrophobicContact CG1-CD1 3.74Å; K282-L488 HydrophobicContact CB-CD2 4.48Å; K282-L488 HydrophobicContact CG-CD2 3.87Å; L485-L488 HydrophobicContact CD2-CD1 3.89Å; L485-L488 WeakPolarHBondContact O-CA 3.32Å; L485-L488 WeakPolarHBondContact O-CB 3.32Å; L485-L488 PolarHBondContact O-N 3Å; A486-L488 PolarHBondContact O-N 3.11Å |
| 489 | C | 73.9 | Confident | 64.2 | Low | 106 Ų | 106 | 92.5 Ų | 92.5 | 72% | 0.716 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -74.5 | -34.9 | 180 | -61.2 | 0 | 0 | 0 | 0 | 112.4 | L485 A486 | L485-C489 PolarHBondContact O-N 3.45Å; L485-C489 VanDerWaalsContact O-N 3.09Å; A486-C489 PolarHBondContact O-N 2.94Å |
| 490 | W | 63.8 | Low | 61.9 | Low | 195 Ų | 195 | 98.1 Ų | 98.1 | 74% | 0.739 | 54% | 0.538 | S | S | * | . | trans | -106.5 | 76.5 | 179.9 | -156.6 | -85.3 | 0 | 0 | 0 | 110.5 | A486 P492 | A486-W490 PolarHBondContact O-N 2.91Å; W490-P492 WeakPolarHBondContact O-CD 3.13Å | ||
| 491 | S | 54.6 | Low | 59.4 | Low | 81 Ų | 81 | 106 Ų | 106 | 57% | 0.566 | 58% | 0.58 | S | S | * | * | trans | -77.4 | 118.1 | 165.3 | 44.9 | 0 | 0 | 0 | 0 | 108.2 | T493 | S491-T493 PolarHBondContact O-N 3.48Š| ||
| 492 | P | 50.3 | Low | 56.7 | Low | 101 Ų | 101 | 116 Ų | 116 | 66% | 0.656 | 62% | 0.615 | S | S | * | * | trans | -61 | 119.5 | 166.1 | -11.2 | 25.5 | 0 | 0 | 0 | 105.7 | W490 Q494 | W490-P492 WeakPolarHBondContact O-CD 3.13Å; P492-Q494 PolarHBondContact O-N 2.92Å | ||
| 493 | T | 41.5 | Very low | 54.3 | Low | 135 Ų | 135 | 125.5 Ų | 125.5 | 83% | 0.828 | 64% | 0.639 | S | S | * | * | trans | -47.1 | 107.7 | 162 | 15.3 | 0 | 0 | 0 | 0 | 106.5 | S491 K495 | S491-T493 PolarHBondContact O-N 3.48Å; T493-K495 VanDerWaalsContact C-N 3.33Å; T493-K495 PolarHBondContact O-N 3.2Å | ||
| 494 | Q | 40.1 | Very low | 51.9 | Low | 187 Ų | 187 | 133.1 Ų | 133.1 | 87% | 0.874 | 66% | 0.664 | S | S | * | * | trans | -59.5 | 104.5 | 169.6 | -80.8 | -172.1 | -5.9 | 0 | 0 | 105.6 | P492 | P492-Q494 PolarHBondContact O-N 2.92Š| ||
| 495 | K | 35.3 | Very low | 49.5 | Very low | 192 Ų | 192 | 144.2 Ų | 144.2 | 84% | 0.835 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 126.9 | 156.8 | -77 | -172.9 | 177.7 | -177.4 | 0 | 105.6 | T493 Q497 | T493-K495 VanDerWaalsContact C-N 3.33Å; T493-K495 PolarHBondContact O-N 3.2Å; K495-Q497 PolarHBondContact O-N 3.08Å; K495-Q497 VanDerWaalsContact O-N 3.09Å |
| 496 | P | 35 | Very low | 47 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 121.7 | -179.4 | 21.1 | -29.2 | 0 | 0 | 0 | 108.2 | ||
| 497 | Q | 32.2 | Very low | 44.6 | Very low | 177 Ų | 177 | 156.5 Ų | 156.5 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 131.5 | 167 | -86.5 | -176.3 | -46.9 | 0 | 0 | 107.5 | K495 L499 | K495-Q497 PolarHBondContact O-N 3.08Å; K495-Q497 VanDerWaalsContact O-N 3.09Å; Q497-L499 PolarHBondContact O-N 2.83Å |
| 498 | P | 35.7 | Very low | 42.3 | Very low | 116 Ų | 116 | 166.5 Ų | 166.5 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 127.3 | 170.8 | 24.5 | -29.1 | 0 | 0 | 0 | 108.1 | L500 | P498-L500 PolarHBondContact O-N 3.39Š|
| 499 | L | 34.9 | Very low | 40.3 | Very low | 172 Ų | 172 | 171.6 Ų | 171.6 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | trans | -53.5 | 100.7 | 175.3 | -75.1 | 158.9 | 0 | 0 | 0 | 109.3 | Q497 L501 | Q497-L499 PolarHBondContact O-N 2.83Å; L499-L501 VanDerWaalsContact C-N 3.34Å; L499-L501 PolarHBondContact O-N 3.34Å | ||
| 500 | L | 40.9 | Very low | 38.3 | Very low | 170 Ų | 170 | 173.6 Ų | 173.6 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | -68.5 | 99.5 | 163.3 | -79.2 | 170.7 | 0 | 0 | 0 | 107.3 | P498 R502 | P498-L500 PolarHBondContact O-N 3.39Å; L500-R502 PolarHBondContact O-N 3.33Å | ||
| 501 | L | 37.3 | Very low | 36.6 | Very low | 170 Ų | 170 | 168.9 Ų | 168.9 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | trans | -49.6 | 100.8 | 167.5 | -87.3 | 155.6 | 0 | 0 | 0 | 109.3 | L499 R503 | L499-L501 VanDerWaalsContact C-N 3.34Å; L499-L501 PolarHBondContact O-N 3.34Å; L501-R503 VanDerWaalsContact C-N 3.31Å; L501-R503 PolarHBondContact O-N 3.17Å | ||
| 502 | R | 34.4 | Very low | 35.8 | Very low | 237 Ų | 237 | 170.9 Ų | 170.9 | 89% | 0.894 | 83% | 0.825 | S | S | * | * | trans | -65.6 | 91 | 170.2 | -173.4 | 176.9 | -177.8 | -179.9 | 1 | 108.2 | L500 R504 | L500-R502 PolarHBondContact O-N 3.33Å; R502-R504 PolarHBondContact O-N 2.82Å | ||
| 503 | R | 36 | Very low | 35 | Very low | 239 Ų | 239 | 174 Ų | 174 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -62.6 | 99.1 | 172.1 | -155.4 | 177 | -169.9 | -170.7 | 2.8 | 108.1 | L501 R505 | L501-R503 VanDerWaalsContact C-N 3.31Å; L501-R503 PolarHBondContact O-N 3.17Å; R503-R505 PolarHBondContact O-N 2.57Å; R503-R505 VanDerWaalsContact O-N 3.09Å | ||
| 504 | R | 34.6 | Very low | 34.8 | Very low | 219 Ų | 219 | 174.1 Ų | 174.1 | 83% | 0.826 | 83% | 0.832 | S | S | * | * | trans | -59 | 108.6 | 169.3 | -88.2 | -176 | 174.3 | -176.8 | -0.9 | 108.2 | R502 | R502-R504 PolarHBondContact O-N 2.82Š| ||
| 505 | R | 34.7 | Very low | 34.5 | Very low | 238 Ų | 238 | 175 Ų | 175 | 90% | 0.898 | 83% | 0.833 | S | S | * | * | trans | -79 | 112.2 | 157.7 | -79.5 | -172.9 | -174 | -178.3 | 2.5 | 107.2 | R503 H507 | R503-R505 PolarHBondContact O-N 2.57Å; R503-R505 VanDerWaalsContact O-N 3.09Å; R505-H507 PolarHBondContact O-N 2.97Å | ||
| 506 | H | 32.5 | Very low | 34.5 | Very low | 175 Ų | 175 | 176.3 Ų | 176.3 | 81% | 0.81 | 83% | 0.834 | S | S | * | * | trans | -69.7 | 117.9 | 165.6 | -102.2 | -59.6 | 0 | 0 | 0 | 108.6 | ||||
| 507 | H | 34.7 | Very low | 34.6 | Very low | 181 Ų | 181 | 175.6 Ų | 175.6 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | trans | -78.3 | 118.8 | 158.3 | -94.6 | -59.8 | 0 | 0 | 0 | 108.3 | R505 | R505-H507 PolarHBondContact O-N 2.97Š| ||
| 508 | R | 29.8 | Very low | 35.1 | Very low | 230 Ų | 230 | 172.8 Ų | 172.8 | 87% | 0.868 | 83% | 0.827 | S | S | * | * | trans | -81.9 | 111.4 | 171.9 | -147.6 | -178.6 | -153.2 | 179.5 | 4.8 | 106.9 | ||||
| 509 | I | 33.1 | Very low | 34.9 | Very low | 164 Ų | 164 | 177.4 Ų | 177.4 | 84% | 0.841 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 119 | 169.7 | -63.3 | 172.1 | 0 | 0 | 0 | 106.4 | ||
| 510 | I | 32.1 | Very low | 34.9 | Very low | 147 Ų | 147 | 177.7 Ų | 177.7 | 75% | 0.754 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 121 | 172.8 | -64.7 | 172.4 | 0 | 0 | 0 | 106.9 | ||
| 511 | S | 29.8 | Very low | 34.6 | Very low | 97 Ų | 97 | 178.1 Ų | 178.1 | 68% | 0.678 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 138.3 | 169.9 | -169.2 | 0 | 0 | 0 | 0 | 109.2 | D513 | S511-D513 PolarHBondContact O-N 2.73Š|
| 512 | P | 37.1 | Very low | 34.5 | Very low | 123 Ų | 123 | 178.6 Ų | 178.6 | 80% | 0.799 | 85% | 0.846 | S | S | * | * | trans | -85.8 | 110.4 | 172.8 | 31.7 | -26.1 | 0 | 0 | 0 | 109.2 | ||||
| 513 | D | 33.3 | Very low | 34.5 | Very low | 165 Ų | 165 | 175.1 Ų | 175.1 | 88% | 0.882 | 84% | 0.843 | S | S | * | * | trans | -88.7 | 130.3 | 168 | -113.2 | -23.9 | 0 | 0 | 0 | 110.1 | S511 | S511-D513 PolarHBondContact O-N 2.73Š| ||
| 514 | N | 38.2 | Very low | 34.4 | Very low | 138 Ų | 138 | 171.1 Ų | 171.1 | 74% | 0.738 | 84% | 0.839 | S | S | * | * | trans | -84.5 | 125.1 | 179 | -165.7 | 16.1 | 0 | 0 | 0 | 108.7 | ||||
| 515 | K | 33.5 | Very low | 34.4 | Very low | 207 Ų | 207 | 167.9 Ų | 167.9 | 90% | 0.9 | 84% | 0.84 | S | S | * | * | trans | -172.7 | 127.2 | 152.4 | -104.6 | 160.2 | -168 | -174.3 | 0 | 112.3 | ||||
| 516 | Y | 35.6 | Very low | 34.3 | Very low | 219 Ų | 219 | 162.9 Ų | 162.9 | 86% | 0.859 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 161.6 | 171.2 | -84.3 | -93.5 | 0 | 0 | 0 | 113.1 | ||
| 517 | P | 37.2 | Very low | 34.5 | Very low | 103 Ų | 103 | 162 Ų | 162 | 67% | 0.669 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 168.3 | -173.7 | 37.5 | -33.9 | 0 | 0 | 0 | 112.6 | ||
| 518 | P | 40.9 | Very low | 34.5 | Very low | 118 Ų | 118 | 160.4 Ų | 160.4 | 77% | 0.766 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 150.6 | 152.3 | 32.6 | -22.1 | 0 | 0 | 0 | 111.7 | ||
| 519 | V | 33 | Very low | 34.9 | Very low | 214 Ų | 214 | 154.1 Ų | 154.1 | 100% | 1.297 | 84% | 0.835 | S | S | * | * | trans | 91.5 | 0 | 177.5 | -160.6 | 0 | 0 | 0 | 0 | 115.7 |
Retrieved 519 of 519 residues in 539.3 ms
(Link to these results)