| 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 | 45.3 | Very low | 53.5 | Low | 245 Ų | 245 | 173.5 Ų | 173.5 | 100% | 1.207 | 85% | 0.852 | S | S | * | * | 0 | 152.1 | 0 | -69.3 | 158.1 | 172.9 | 0 | 0 | 108.2 | |||||
| 2 | K | 45.2 | Very low | 54.8 | Low | 210 Ų | 210 | 174.3 Ų | 174.3 | 91% | 0.913 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 123 | 171.8 | -78 | -176.7 | 175.9 | 178.9 | 0 | 108.5 | ||
| 3 | E | 57 | Low | 56.2 | Low | 180 Ų | 180 | 173.2 Ų | 173.2 | 84% | 0.841 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 150.1 | 171.1 | -67.2 | -153.2 | 149.3 | 0 | 0 | 111.4 | ||
| 4 | P | 53.3 | Low | 57.4 | Low | 114 Ų | 114 | 172.4 Ų | 172.4 | 74% | 0.74 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 132.4 | 177.8 | 30.9 | -33.8 | 0 | 0 | 0 | 111.2 | R6 | P4-R6 PolarHBondContact O-N 2.83Š|
| 5 | N | 49.7 | Very low | 58.5 | Low | 164 Ų | 164 | 169.7 Ų | 169.7 | 88% | 0.877 | 85% | 0.848 | S | S | * | * | trans | -61.3 | 101 | 173.7 | -75 | -42.6 | 0 | 0 | 0 | 110.9 | S7 | N5-S7 VanDerWaalsContact C-N 3.28Å; N5-S7 PolarHBondContact O-N 3.16Å | ||
| 6 | R | 50.6 | Low | 59.6 | Low | 221 Ų | 221 | 169.7 Ų | 169.7 | 83% | 0.834 | 84% | 0.841 | S | S | * | * | trans | -71 | 87 | 163.7 | -79.8 | -170.1 | 174 | -169.2 | 0.4 | 109.5 | P4 F8 | P4-R6 PolarHBondContact O-N 2.83Å; R6-F8 PolarHBondContact O-N 2.84Å | ||
| 7 | S | 52.8 | Low | 60.9 | Low | 109 Ų | 109 | 163.7 Ų | 163.7 | 76% | 0.762 | 83% | 0.833 | S | S | * | * | trans | -64 | 101.2 | 163.7 | 54 | 0 | 0 | 0 | 0 | 109 | N5 | N5-S7 VanDerWaalsContact C-N 3.28Å; N5-S7 PolarHBondContact O-N 3.16Å | ||
| 8 | F | 55.5 | Low | 61.9 | Low | 179 Ų | 179 | 165.9 Ų | 165.9 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | trans | -59.1 | 135.5 | 167.2 | -68.4 | -88.8 | 0 | 0 | 0 | 108.8 | R6 K10 | R6-F8 PolarHBondContact O-N 2.84Å; F8-K10 PolarHBondContact O-N 3.42Å | ||
| 9 | P | 58.7 | Low | 62.7 | Low | 112 Ų | 112 | 164.3 Ų | 164.3 | 73% | 0.727 | 83% | 0.833 | S | S | * | * | trans | -60.6 | 134.2 | 172.4 | 26.9 | -33.4 | 0 | 0 | 0 | 108.6 | Q11 | P9-Q11 PolarHBondContact O-N 3.22Š| ||
| 10 | K | 60.8 | Low | 62.8 | Low | 196 Ų | 196 | 160.8 Ų | 160.8 | 85% | 0.852 | 82% | 0.824 | S | S | * | * | trans | -64.6 | 109.8 | 173.2 | -66.7 | 178.7 | -178.2 | 176.2 | 0 | 107.6 | F8 E12 | F8-K10 PolarHBondContact O-N 3.42Å; K10-E12 PolarHBondContact O-N 3.08Å; K10-E12 VanDerWaalsContact O-N 3.15Å | ||
| 11 | Q | 59.8 | Low | 63.5 | Low | 179 Ų | 179 | 161.3 Ų | 161.3 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | trans | -71.4 | 106.1 | 169.6 | -71.1 | 179.6 | -42.5 | 0 | 0 | 107.7 | P9 L13 | P9-Q11 PolarHBondContact O-N 3.22Å; Q11-L13 PolarHBondContact O-N 3.27Å | ||
| 12 | E | 68.7 | Low | 64.5 | Low | 182 Ų | 182 | 156.7 Ų | 156.7 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -70.8 | 115.5 | 176.3 | -63.7 | -171.2 | 146.8 | 0 | 0 | 109.1 | K10 L14 | K10-E12 PolarHBondContact O-N 3.08Å; K10-E12 VanDerWaalsContact O-N 3.15Å; E12-L14 PolarHBondContact O-N 3.1Å; E12-L14 VanDerWaalsContact O-N 3.12Å | ||
| 13 | L | 73.6 | Confident | 65.7 | Low | 161 Ų | 161 | 155.4 Ų | 155.4 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -76.5 | 98.1 | 179.8 | -78.5 | 165.8 | 0 | 0 | 0 | 109.8 | Q11 V15 | Q11-L13 PolarHBondContact O-N 3.27Å; L13-V15 PolarHBondContact O-N 3.45Å | ||
| 14 | L | 72.3 | Confident | 65.9 | Low | 162 Ų | 162 | 154.1 Ų | 154.1 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -73.2 | 95.2 | 173.5 | -164.9 | 77 | 0 | 0 | 0 | 110.3 | E12 | E12-L14 PolarHBondContact O-N 3.1Å; E12-L14 VanDerWaalsContact O-N 3.12Å | ||
| 15 | V | 74.2 | Confident | 66 | Low | 132 Ų | 132 | 154.2 Ų | 154.2 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -89 | 109.5 | 175.6 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | L13 | L13-V15 PolarHBondContact O-N 3.45Š| ||
| 16 | F | 75.8 | Confident | 66.5 | Low | 169 Ų | 169 | 153.1 Ų | 153.1 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | -94.4 | 149.2 | 166.5 | 63.6 | -87.5 | 0 | 0 | 0 | 110.5 | ||||
| 17 | G | 81.7 | Confident | 66.8 | Low | 68 Ų | 68 | 150.2 Ų | 150.2 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | -159.9 | 144.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 18 | Y | 79.8 | Confident | 66.8 | Low | 204 Ų | 204 | 151.2 Ų | 151.2 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | trans | -83.5 | 141.7 | 179.5 | -59.5 | -83.4 | 0 | 0 | 0 | 111 | C20 | Y18-C20 PolarHBondContact O-N 3.33Š| ||
| 19 | P | 76.5 | Confident | 66.5 | Low | 135 Ų | 135 | 148.7 Ų | 148.7 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | trans | -70.9 | 92.3 | 175.4 | 29.3 | -34.4 | 0 | 0 | 0 | 110.7 | ||||
| 20 | C | 64.6 | Low | 66 | Low | 94 Ų | 94 | 147.6 Ų | 147.6 | 64% | 0.635 | 77% | 0.768 | S | S | * | * | trans | -80.7 | 134.5 | 173.4 | 60.4 | 0 | 0 | 0 | 0 | 111.3 | Y18 L22 | Y18-C20 PolarHBondContact O-N 3.33Å; C20-L22 PolarHBondContact O-N 3Å | ||
| 21 | K | 77.5 | Confident | 65.4 | Low | 171 Ų | 171 | 140.2 Ų | 140.2 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | trans | -76.9 | 89.8 | 170 | -73.9 | -176.9 | 177.7 | 177.4 | 0 | 109.2 | Y23 | K21-Y23 HydrophobicContact CB-CD2 4.27Å; K21-Y23 HydrophobicContact CB-CE2 3.73Å; K21-Y23 WeakPolarHBondContact O-CD2 3.36Å; K21-Y23 PolarHBondContact O-N 3.22Å | ||
| 22 | L | 65.4 | Low | 65 | Low | 148 Ų | 148 | 135.7 Ų | 135.7 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | trans | -70.4 | 92.8 | 170.5 | -72.7 | 177.3 | 0 | 0 | 0 | 110.1 | C20 K24 | C20-L22 PolarHBondContact O-N 3Å; L22-K24 VanDerWaalsContact C-N 3.35Å; L22-K24 PolarHBondContact O-N 3.36Å | ||
| 23 | Y | 70.5 | Confident | 64.4 | Low | 184 Ų | 184 | 136.1 Ų | 136.1 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | -68.2 | 91.4 | 169.3 | -68.4 | -88.1 | 0 | 0 | 0 | 109.6 | K21 N25 | K21-Y23 HydrophobicContact CB-CD2 4.27Å; K21-Y23 HydrophobicContact CB-CE2 3.73Å; K21-Y23 WeakPolarHBondContact O-CD2 3.36Å; K21-Y23 PolarHBondContact O-N 3.22Å; Y23-N25 PolarHBondContact O-N 3.2Å | ||
| 24 | K | 61.4 | Low | 63.7 | Low | 153 Ų | 153 | 134.5 Ų | 134.5 | 67% | 0.665 | 73% | 0.726 | S | S | * | * | trans | -65.3 | 116 | 166.5 | -63 | -162.9 | -171.7 | 175.6 | 0 | 109.1 | L22 E26 | L22-K24 VanDerWaalsContact C-N 3.35Å; L22-K24 PolarHBondContact O-N 3.36Å; K24-E26 HydrophobicContact CB-CG 3.76Å; K24-E26 HydrophobicContact CD-CG 3.88Å; K24-E26 WeakPolarHBondContact CD-OE1 3.35Å; K24-E26 WeakPolarHBondContact CE-OE1 3.23Å; K24-E26 IonicContact NZ-OE1 2.69Å; K24-E26 PolarHBondContact NZ-OE1 3.3Å; K24-E26 IonicContact NZ-OE2 2.83Å; K24-E26 PolarHBondContact O-N 2.91Å | ||
| 25 | N | 56.1 | Low | 63.2 | Low | 115 Ų | 115 | 131.4 Ų | 131.4 | 62% | 0.615 | 71% | 0.711 | S | S | * | * | trans | -80.4 | 67.9 | 169.6 | -66.1 | -66 | 0 | 0 | 0 | 110 | Y23 D27 K28 | Y23-N25 PolarHBondContact O-N 3.2Å; N25-D27 PolarHBondContact O-N 3.49Å; N25-K28 HydrophobicContact CB-CD 4.28Å; N25-K28 HydrophobicContact CB-CG 4.44Å | ||
| 26 | E | 59.7 | Low | 62.8 | Low | 142 Ų | 142 | 132.1 Ų | 132.1 | 66% | 0.664 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -17.8 | 178.4 | -55.8 | -158.7 | 150.2 | 0 | 0 | 112.3 | K24 K28 | K24-E26 HydrophobicContact CB-CG 3.76Å; K24-E26 HydrophobicContact CD-CG 3.88Å; K24-E26 WeakPolarHBondContact CD-OE1 3.35Å; K24-E26 WeakPolarHBondContact CE-OE1 3.23Å; K24-E26 IonicContact NZ-OE1 2.69Å; K24-E26 PolarHBondContact NZ-OE1 3.3Å; K24-E26 IonicContact NZ-OE2 2.83Å; K24-E26 PolarHBondContact O-N 2.91Å; E26-K28 VanDerWaalsContact C-N 3.32Å; E26-K28 PolarHBondContact O-N 3.13Å |
| 27 | D | 57.6 | Low | 62.6 | Low | 159 Ų | 159 | 126.4 Ų | 126.4 | 85% | 0.85 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 20 | 178.3 | -55.4 | -59.7 | 0 | 0 | 0 | 115.2 | N25 | N25-D27 PolarHBondContact O-N 3.49Š|
| 28 | K | 52.7 | Low | 62.7 | Low | 131 Ų | 131 | 126.4 Ų | 126.4 | 57% | 0.57 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -112.2 | 113.7 | 177.5 | -76.2 | -170.1 | 177.3 | -179.3 | 0 | 112.1 | N25 E26 G30 | N25-K28 HydrophobicContact CB-CD 4.28Å; N25-K28 HydrophobicContact CB-CG 4.44Å; E26-K28 VanDerWaalsContact C-N 3.32Å; E26-K28 PolarHBondContact O-N 3.13Å; K28-G30 PolarHBondContact O-N 3.19Å |
| 29 | P | 50.1 | Low | 62.8 | Low | 126 Ų | 126 | 119.8 Ų | 119.8 | 82% | 0.818 | 65% | 0.653 | S | S | * | * | trans | -76.4 | 121.3 | -174.2 | 29.3 | -34.4 | 0 | 0 | 0 | 112.9 | G31 | P29-G31 VanDerWaalsContact C-N 3.25Å; P29-G31 PolarHBondContact O-N 3.04Å | ||
| 30 | G | 47.7 | Very low | 63.2 | Low | 89 Ų | 89 | 115.5 Ų | 115.5 | 92% | 0.918 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 67 | -11 | 147.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | K28 | K28-G30 PolarHBondContact O-N 3.19Š|
| 31 | G | 47.9 | Very low | 64.1 | Low | 40 Ų | 40 | 112 Ų | 112 | 41% | 0.412 | 60% | 0.6 | S | S | . | * | trans | -72.9 | 144.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P29 | P29-G31 VanDerWaalsContact C-N 3.25Å; P29-G31 PolarHBondContact O-N 3.04Å | ||
| 32 | S | 51 | Low | 64.1 | Low | 84 Ų | 84 | 108.8 Ų | 108.8 | 59% | 0.587 | 59% | 0.591 | S | S | * | * | trans | -52.8 | 137.8 | 174.6 | -53 | 0 | 0 | 0 | 0 | 112.1 | D34 F36 | S32-D34 PolarHBondContact O-N 3.49Å; S32-D34 VanDerWaalsContact O-N 3.14Å; S32-F36 WeakPolarHBondContact O-CD2 3.38Å; S32-F36 WeakPolarHBondContact O-CE2 3.43Å | ||
| 33 | K | 56.3 | Low | 64.8 | Low | 192 Ų | 192 | 104.4 Ų | 104.4 | 84% | 0.835 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -14.3 | -169.6 | -74.7 | -179.9 | 175.9 | 174.6 | 0 | 114.9 | ||
| 34 | D | 59.9 | Low | 65.3 | Low | 127 Ų | 127 | 100 Ų | 100 | 68% | 0.679 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -24.3 | -154.9 | -47.2 | -56.5 | 0 | 0 | 0 | 113.5 | S32 | S32-D34 PolarHBondContact O-N 3.49Å; S32-D34 VanDerWaalsContact O-N 3.14Å |
| 35 | D | 61.1 | Low | 66.3 | Low | 97 Ų | 97 | 100.7 Ų | 100.7 | 52% | 0.519 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -99.8 | -20.5 | -174.3 | -64.4 | -43.2 | 0 | 0 | 0 | 115 | G37 L38 L48 | D35-G37 PolarHBondContact O-N 2.96Å; D35-L38 PolarHBondContact O-N 3.46Å; D35-L48 WeakPolarHBondContact OD1-CD1 3.49Å |
| 36 | F | 65.8 | Low | 67.7 | Low | 146 Ų | 146 | 103 Ų | 103 | 64% | 0.64 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -11.1 | -166 | -80.7 | -78.5 | 0 | 0 | 0 | 116.5 | S32 | S32-F36 WeakPolarHBondContact O-CD2 3.38Å; S32-F36 WeakPolarHBondContact O-CE2 3.43Å |
| 37 | G | 71.4 | Confident | 68.8 | Low | 49 Ų | 49 | 99.8 Ų | 99.8 | 51% | 0.505 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.6 | -12.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D35 | D35-G37 PolarHBondContact O-N 2.96Š|
| 38 | L | 83.5 | Confident | 70.1 | Confident | 69 Ų | 69 | 95.5 Ų | 95.5 | 36% | 0.361 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 150.4 | -166.3 | -52.9 | 177.6 | 0 | 0 | 0 | 112.5 | D35 L48 I49 | D35-L38 PolarHBondContact O-N 3.46Å; L38-L48 HydrophobicContact CB-CB 3.87Å; L38-L48 HydrophobicContact CD1-CB 3.79Å; L38-L48 HydrophobicContact CD1-CD1 4.37Å; L38-L48 HydrophobicContact CG-CB 4.45Å; L38-I49 CarbonylContact C-O 3.45Å; L38-I49 VanDerWaalsContact CA-O 3.3Å; L38-I49 WeakPolarHBondContact CA-O 3.37Å |
| 39 | I | 82.5 | Confident | 71.6 | Confident | 65 Ų | 65 | 89.5 Ų | 89.5 | 33% | 0.333 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 137.7 | -179.3 | -56.2 | -176.1 | 0 | 0 | 0 | 108.7 | L41 I49 R51 | I39-L41 PolarHBondContact O-N 3.15Å; I39-I49 PolarHBondContact N-O 3.25Å; I39-I49 WeakPolarHBondContact O-CG1 3.44Å; I39-I49 PolarHBondContact O-N 3.26Å; I39-R51 HydrophobicContact CD1-CB 3.91Å; I39-R51 HydrophobicContact CD1-CG 3.77Å; I39-R51 HydrophobicContact CG1-CB 4.47Å |
| 40 | P | 85.2 | Confident | 73.4 | Confident | 44 Ų | 44 | 87.3 Ų | 87.3 | 29% | 0.286 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 116.9 | 173.3 | -26.8 | 36.6 | 0 | 0 | 0 | 113 | N42 G43 K45 L48 | P40-N42 PolarHBondContact O-N 3.04Å; P40-G43 PolarHBondContact O-N 3.16Å; P40-K45 HydrophobicContact CG-CG 4.31Å; P40-L48 HydrophobicContact CG-CD2 4.08Å |
| 41 | L | 82.3 | Confident | 75.2 | Confident | 21 Ų | 21 | 91.1 Ų | 91.1 | 11% | 0.11 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 120.7 | 174.4 | 174.6 | 57.7 | 0 | 0 | 0 | 109.9 | I39 G43 N44 I47 I49 R55 | I39-L41 PolarHBondContact O-N 3.15Å; L41-G43 PolarHBondContact O-N 2.83Å; L41-N44 VanDerWaalsContact O-CB 3.32Å; L41-N44 WeakPolarHBondContact O-CB 3.47Å; L41-N44 PolarHBondContact O-N 3.07Å; L41-I47 HydrophobicContact CB-CB 4.23Å; L41-I47 HydrophobicContact CB-CG2 3.95Å; L41-I47 HydrophobicContact CD2-CG2 3.97Å; L41-I47 PolarHBondContact N-O 3.01Å; L41-I49 HydrophobicContact CB-CD1 3.73Å; L41-I49 HydrophobicContact CB-CG1 4.08Å; L41-I49 HydrophobicContact CB-CG2 4.38Å; L41-I49 HydrophobicContact CD1-CD1 3.67Å; L41-I49 HydrophobicContact CD2-CD1 4.43Å; L41-I49 HydrophobicContact CG-CD1 4.11Å; L41-R55 HydrophobicContact CD1-CB 4.44Å |
| 42 | N | 78.8 | Confident | 76.8 | Confident | 104 Ų | 104 | 98.1 Ų | 98.1 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 26.5 | -179.3 | -57.2 | -16.1 | 0 | 0 | 0 | 113.5 | P40 N44 | P40-N42 PolarHBondContact O-N 3.04Å; N42-N44 VanDerWaalsContact C-N 3.34Å |
| 43 | G | 80.1 | Confident | 78.5 | Confident | 56 Ų | 56 | 95.6 Ų | 95.6 | 58% | 0.577 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -7.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | P40 L41 K45 | P40-G43 PolarHBondContact O-N 3.16Å; L41-G43 PolarHBondContact O-N 2.83Å; G43-K45 PolarHBondContact O-N 3.22Å; G43-K45 VanDerWaalsContact O-N 3.08Å |
| 44 | N | 80.6 | Confident | 79.8 | Confident | 91 Ų | 91 | 91.3 Ų | 91.3 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 98.8 | -179.6 | -67.6 | -30.6 | 0 | 0 | 0 | 110.8 | L41 N42 N46 I47 | L41-N44 VanDerWaalsContact O-CB 3.32Å; L41-N44 WeakPolarHBondContact O-CB 3.47Å; L41-N44 PolarHBondContact O-N 3.07Å; N42-N44 VanDerWaalsContact C-N 3.34Å; N44-N46 PolarHBondContact O-N 2.88Å; N44-I47 HydrophobicContact CB-CG1 4.46Å; N44-I47 CarbonylContact O-C 3.18Å; N44-I47 PolarHBondContact O-N 3.36Å |
| 45 | K | 82.3 | Confident | 80.8 | Confident | 167 Ų | 167 | 91 Ų | 91 | 73% | 0.726 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.3 | -22.6 | -179.3 | -62.5 | -175.9 | -178.8 | -178.1 | 0 | 114.2 | P40 G43 I47 | P40-K45 HydrophobicContact CG-CG 4.31Å; G43-K45 PolarHBondContact O-N 3.22Å; G43-K45 VanDerWaalsContact O-N 3.08Å; K45-I47 VanDerWaalsContact C-N 3.26Å; K45-I47 PolarHBondContact O-N 3.05Å |
| 46 | N | 84.6 | Confident | 81.6 | Confident | 163 Ų | 163 | 88.8 Ų | 88.8 | 87% | 0.872 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | -14.4 | 176.9 | -57 | 14.7 | 0 | 0 | 0 | 112.9 | N44 | N44-N46 PolarHBondContact O-N 2.88Å |
| 47 | I | 82.9 | Confident | 82.2 | Confident | 75 Ų | 75 | 88.5 Ų | 88.5 | 39% | 0.385 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 79.5 | -178.3 | -50.2 | 177.4 | 0 | 0 | 0 | 107.9 | L41 N44 K45 I49 | L41-I47 HydrophobicContact CB-CB 4.23Å; L41-I47 HydrophobicContact CB-CG2 3.95Å; L41-I47 HydrophobicContact CD2-CG2 3.97Å; L41-I47 PolarHBondContact N-O 3.01Å; N44-I47 HydrophobicContact CB-CG1 4.46Å; N44-I47 CarbonylContact O-C 3.18Å; N44-I47 PolarHBondContact O-N 3.36Å; K45-I47 VanDerWaalsContact C-N 3.26Å; K45-I47 PolarHBondContact O-N 3.05Å; I47-I49 HydrophobicContact CG2-CG2 4.21Å |
| 48 | L | 85.6 | Confident | 82.3 | Confident | 70 Ų | 70 | 89.6 Ų | 89.6 | 37% | 0.366 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 128.6 | 174.4 | -63.5 | 179.6 | 0 | 0 | 0 | 109.9 | D35 L38 P40 | D35-L48 WeakPolarHBondContact OD1-CD1 3.49Å; L38-L48 HydrophobicContact CB-CB 3.87Å; L38-L48 HydrophobicContact CD1-CB 3.79Å; L38-L48 HydrophobicContact CD1-CD1 4.37Å; L38-L48 HydrophobicContact CG-CB 4.45Å; P40-L48 HydrophobicContact CG-CD2 4.08Å |
| 49 | I | 84.3 | Confident | 81.8 | Confident | 4 Ų | 4 | 92.9 Ų | 92.9 | 2% | 0.021 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 157.9 | 179.1 | 62 | 172.6 | 0 | 0 | 0 | 111.4 | L38 I39 L41 I47 D53 R55 L56 | L38-I49 CarbonylContact C-O 3.45Å; L38-I49 VanDerWaalsContact CA-O 3.3Å; L38-I49 WeakPolarHBondContact CA-O 3.37Å; I39-I49 PolarHBondContact N-O 3.25Å; I39-I49 WeakPolarHBondContact O-CG1 3.44Å; I39-I49 PolarHBondContact O-N 3.26Å; L41-I49 HydrophobicContact CB-CD1 3.73Å; L41-I49 HydrophobicContact CB-CG1 4.08Å; L41-I49 HydrophobicContact CB-CG2 4.38Å; L41-I49 HydrophobicContact CD1-CD1 3.67Å; L41-I49 HydrophobicContact CD2-CD1 4.43Å; L41-I49 HydrophobicContact CG-CD1 4.11Å; I47-I49 HydrophobicContact CG2-CG2 4.21Å; I49-D53 HydrophobicContact CB-CB 4.08Å; I49-D53 HydrophobicContact CD1-CB 4.09Å; I49-D53 HydrophobicContact CG1-CB 4.33Å; I49-R55 HydrophobicContact CD1-CB 4.24Å; I49-L56 HydrophobicContact CD1-CD1 4.47Å; I49-L56 HydrophobicContact CD1-CD2 3.7Å; I49-L56 HydrophobicContact CD1-CG 3.66Å; I49-L56 HydrophobicContact CG1-CD2 4.32Å; I49-L56 HydrophobicContact CG1-CG 4.35Å |
| 50 | D | 87.3 | Confident | 80.9 | Confident | 81 Ų | 81 | 92.8 Ų | 92.8 | 43% | 0.433 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 144.7 | 178.2 | -165.6 | -46.2 | 0 | 0 | 0 | 110.6 | Y52 D53 L56 | D50-Y52 PolarHBondContact O-N 3.45Å; D50-Y52 VanDerWaalsContact O-N 3.09Å; D50-Y52 WeakPolarHBondContact OD1-CD2 3.37Å; D50-Y52 PolarHBondContact OD1-N 2.86Å; D50-D53 HydrophobicContact CB-CB 4.21Å; D50-D53 WeakPolarHBondContact O-CB 3.28Å; D50-D53 PolarHBondContact O-N 3.16Å; D50-L56 VanDerWaalsContact O-CD1 3.26Å; D50-L56 WeakPolarHBondContact O-CD1 3.37Å |
| 51 | R | 84.9 | Confident | 80.1 | Confident | 169 Ų | 169 | 95.2 Ų | 95.2 | 64% | 0.638 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -23 | 170.2 | -173.3 | 169.7 | -161.3 | 152.2 | 5.7 | 113.7 | I39 L56 | I39-R51 HydrophobicContact CD1-CB 3.91Å; I39-R51 HydrophobicContact CD1-CG 3.77Å; I39-R51 HydrophobicContact CG1-CB 4.47Å; R51-L56 WeakPolarHBondContact O-CD1 3.03Å |
| 52 | Y | 81.6 | Confident | 79.4 | Confident | 186 Ų | 186 | 101.1 Ų | 101.1 | 73% | 0.729 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 8.5 | 177.4 | -55.5 | -74.5 | 0 | 0 | 0 | 113.8 | D50 C54 | D50-Y52 PolarHBondContact O-N 3.45Å; D50-Y52 VanDerWaalsContact O-N 3.09Å; D50-Y52 WeakPolarHBondContact OD1-CD2 3.37Å; D50-Y52 PolarHBondContact OD1-N 2.86Å; Y52-C54 PolarHBondContact O-N 3.38Å |
| 53 | D | 87.4 | Confident | 78.8 | Confident | 32 Ų | 32 | 105.6 Ų | 105.6 | 17% | 0.171 | 51% | 0.509 | C | S | . | . | trans | -61.6 | 134.4 | -179.6 | -168.4 | -59 | 0 | 0 | 0 | 111.9 | I49 D50 R55 L56 H57 | I49-D53 HydrophobicContact CB-CB 4.08Å; I49-D53 HydrophobicContact CD1-CB 4.09Å; I49-D53 HydrophobicContact CG1-CB 4.33Å; D50-D53 HydrophobicContact CB-CB 4.21Å; D50-D53 WeakPolarHBondContact O-CB 3.28Å; D50-D53 PolarHBondContact O-N 3.16Å; D53-R55 PolarHBondContact O-N 2.91Å; D53-R55 VanDerWaalsContact O-N 3.09Å; D53-R55 WeakPolarHBondContact OD1-CB 3.39Å; D53-R55 VanDerWaalsContact OD1-CG 3.28Å; D53-R55 WeakPolarHBondContact OD1-CG 3.41Å; D53-R55 IonicContact OD1-CZ 2.66Å; D53-R55 PolarHBondContact OD1-N 3.24Å; D53-R55 IonicContact OD1-NE 3.36Å; D53-R55 PolarHBondContact OD1-NE 2.87Å; D53-R55 IonicContact OD1-NH2 2.67Å; D53-R55 IonicContact OD2-CZ 2.92Å; D53-R55 IonicContact OD2-NE 2.69Å; D53-R55 PolarHBondContact OD2-NE 3.42Å; D53-R55 IonicContact OD2-NH2 3.93Å; D53-R55 PolarHBondContact OD2-NH2 3.46Å; D53-L56 WeakPolarHBondContact O-CB 3.49Å; D53-L56 PolarHBondContact O-N 3.06Å; D53-H57 PolarHBondContact O-ND1 3.17Å | ||
| 54 | C | 82.9 | Confident | 78.2 | Confident | 102 Ų | 102 | 110.9 Ų | 110.9 | 69% | 0.689 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -57.2 | -27.5 | 180 | -54.8 | 0 | 0 | 0 | 0 | 112.6 | Y52 L56 H57 | Y52-C54 PolarHBondContact O-N 3.38Å; C54-L56 VanDerWaalsContact C-N 3.28Å; C54-L56 PolarHBondContact O-N 3.09Å; C54-H57 WeakPolarHBondContact O-CB 3.37Å; C54-H57 PolarHBondContact O-N 3.31Å |
| 55 | R | 82.6 | Confident | 77.3 | Confident | 120 Ų | 120 | 113.6 Ų | 113.6 | 45% | 0.453 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -65.6 | -27.1 | 177.9 | -64.6 | 172.5 | -74.7 | -176.7 | -3.2 | 113.1 | L41 I49 D53 H57 L58 | L41-R55 HydrophobicContact CD1-CB 4.44Å; I49-R55 HydrophobicContact CD1-CB 4.24Å; D53-R55 PolarHBondContact O-N 2.91Å; D53-R55 VanDerWaalsContact O-N 3.09Å; D53-R55 WeakPolarHBondContact OD1-CB 3.39Å; D53-R55 VanDerWaalsContact OD1-CG 3.28Å; D53-R55 WeakPolarHBondContact OD1-CG 3.41Å; D53-R55 IonicContact OD1-CZ 2.66Å; D53-R55 PolarHBondContact OD1-N 3.24Å; D53-R55 IonicContact OD1-NE 3.36Å; D53-R55 PolarHBondContact OD1-NE 2.87Å; D53-R55 IonicContact OD1-NH2 2.67Å; D53-R55 IonicContact OD2-CZ 2.92Å; D53-R55 IonicContact OD2-NE 2.69Å; D53-R55 PolarHBondContact OD2-NE 3.42Å; D53-R55 IonicContact OD2-NH2 3.93Å; D53-R55 PolarHBondContact OD2-NH2 3.46Å; R55-H57 PolarHBondContact O-N 3.45Å; R55-L58 PolarHBondContact O-N 2.62Å |
| 56 | L | 78 | Confident | 76.1 | Confident | 51 Ų | 51 | 114 Ų | 114 | 27% | 0.267 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -65.7 | -21.2 | 171.8 | -67.9 | 173.6 | 0 | 0 | 0 | 112.9 | I49 D50 R51 D53 C54 | I49-L56 HydrophobicContact CD1-CD1 4.47Å; I49-L56 HydrophobicContact CD1-CD2 3.7Å; I49-L56 HydrophobicContact CD1-CG 3.66Å; I49-L56 HydrophobicContact CG1-CD2 4.32Å; I49-L56 HydrophobicContact CG1-CG 4.35Å; D50-L56 VanDerWaalsContact O-CD1 3.26Å; D50-L56 WeakPolarHBondContact O-CD1 3.37Å; R51-L56 WeakPolarHBondContact O-CD1 3.03Å; D53-L56 WeakPolarHBondContact O-CB 3.49Å; D53-L56 PolarHBondContact O-N 3.06Å; C54-L56 VanDerWaalsContact C-N 3.28Å; C54-L56 PolarHBondContact O-N 3.09Å |
| 57 | H | 77.3 | Confident | 74.9 | Confident | 140 Ų | 140 | 114.7 Ų | 114.7 | 65% | 0.648 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -85.1 | -21.3 | 178.1 | -59.5 | 75.3 | 0 | 0 | 0 | 112 | D53 C54 R55 Q59 | D53-H57 PolarHBondContact O-ND1 3.17Å; C54-H57 WeakPolarHBondContact O-CB 3.37Å; C54-H57 PolarHBondContact O-N 3.31Å; R55-H57 PolarHBondContact O-N 3.45Å; H57-Q59 PolarHBondContact O-N 3.26Å |
| 58 | L | 74.7 | Confident | 73.8 | Confident | 72 Ų | 72 | 116.2 Ų | 116.2 | 38% | 0.377 | 54% | 0.538 | S | S | . | . | trans | -78.6 | 53.9 | 175.3 | -67.5 | 171.9 | 0 | 0 | 0 | 112 | R55 N60 Y64 | R55-L58 PolarHBondContact O-N 2.62Å; L58-N60 PolarHBondContact O-N 2.89Å; L58-Y64 HydrophobicContact CD2-CD2 4.22Å; L58-Y64 HydrophobicContact CD2-CE2 3.88Å | ||
| 59 | Q | 71.1 | Confident | 72.4 | Confident | 137 Ų | 137 | 118.9 Ų | 118.9 | 64% | 0.64 | 55% | 0.553 | S | S | * | * | trans | -59.3 | -12.2 | -174.2 | -64.2 | -177.6 | 6.1 | 0 | 0 | 115.5 | H57 | H57-Q59 PolarHBondContact O-N 3.26Š| ||
| 60 | N | 65.4 | Low | 70.8 | Confident | 64 Ų | 64 | 121.3 Ų | 121.3 | 34% | 0.342 | 57% | 0.57 | S | S | . | * | trans | -145.4 | 95.2 | 176.6 | -169.3 | -12.3 | 0 | 0 | 0 | 111.2 | L58 E62 R63 | L58-N60 PolarHBondContact O-N 2.89Å; N60-E62 PolarHBondContact O-N 3.1Å; N60-E62 WeakPolarHBondContact OD1-CB 3.09Å; N60-E62 WeakPolarHBondContact OD1-CG 3.48Å; N60-E62 PolarHBondContact OD1-N 3.08Å; N60-R63 HydrophobicContact CB-CG 4.46Å; N60-R63 PolarHBondContact O-N 3.32Å | ||
| 61 | H | 67 | Low | 69.4 | Low | 95 Ų | 95 | 123.3 Ų | 123.3 | 44% | 0.44 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -58.6 | -25.1 | 174.7 | -62.2 | -75.6 | 0 | 0 | 0 | 113.1 | R63 Y64 K65 | H61-R63 PolarHBondContact O-N 2.88Å; H61-Y64 CarbonylContact O-C 3.58Å; H61-Y64 PolarHBondContact O-N 2.85Å; H61-K65 PolarHBondContact O-N 3.16Å |
| 62 | E | 67.8 | Low | 68.3 | Low | 144 Ų | 144 | 125.6 Ų | 125.6 | 67% | 0.673 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -67.3 | -19.2 | -179 | -52.3 | -179.1 | 144.8 | 0 | 0 | 113.2 | N60 Y64 | N60-E62 PolarHBondContact O-N 3.1Å; N60-E62 WeakPolarHBondContact OD1-CB 3.09Å; N60-E62 WeakPolarHBondContact OD1-CG 3.48Å; N60-E62 PolarHBondContact OD1-N 3.08Å; E62-Y64 PolarHBondContact O-N 2.91Å |
| 63 | R | 66.4 | Low | 67.4 | Low | 198 Ų | 198 | 119.6 Ų | 119.6 | 75% | 0.747 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -73.6 | -15.9 | 170.7 | -68.3 | -173.5 | 174.8 | -164.5 | -2.4 | 113.8 | N60 H61 | N60-R63 HydrophobicContact CB-CG 4.46Å; N60-R63 PolarHBondContact O-N 3.32Å; H61-R63 PolarHBondContact O-N 2.88Å |
| 64 | Y | 66.8 | Low | 66.9 | Low | 167 Ų | 167 | 121.5 Ų | 121.5 | 66% | 0.655 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.2 | 0.5 | -173.1 | -54.6 | -76.4 | 0 | 0 | 0 | 112.8 | L58 H61 E62 | L58-Y64 HydrophobicContact CD2-CD2 4.22Å; L58-Y64 HydrophobicContact CD2-CE2 3.88Å; H61-Y64 CarbonylContact O-C 3.58Å; H61-Y64 PolarHBondContact O-N 2.85Å; E62-Y64 PolarHBondContact O-N 2.91Å |
| 65 | K | 62 | Low | 66.8 | Low | 148 Ų | 148 | 122.1 Ų | 122.1 | 64% | 0.643 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -65.6 | 134.7 | 159 | -77.4 | -176.7 | 175.8 | 179.8 | 0 | 107.4 | H61 R67 | H61-K65 PolarHBondContact O-N 3.16Å; K65-R67 PolarHBondContact O-N 2.98Å |
| 66 | E | 58.1 | Low | 66.8 | Low | 177 Ų | 177 | 119.1 Ų | 119.1 | 83% | 0.827 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 137.7 | 171.1 | -68 | 170.6 | 135.3 | 0 | 0 | 109.5 | A68 | E66-A68 PolarHBondContact O-N 2.88Š|
| 67 | R | 58.2 | Low | 67 | Low | 177 Ų | 177 | 120 Ų | 120 | 67% | 0.668 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 120.2 | 170.8 | -151.3 | -176.5 | -169.4 | 135 | 5.7 | 105.9 | K65 D69 S70 | K65-R67 PolarHBondContact O-N 2.98Å; R67-D69 WeakPolarHBondContact CD-OD2 3.49Å; R67-D69 HydrophobicContact CG-CB 4.28Å; R67-D69 WeakPolarHBondContact CG-OD2 3.46Å; R67-D69 IonicContact NE-OD2 2.74Å; R67-D69 PolarHBondContact NE-OD2 2.91Å; R67-D69 VanDerWaalsContact NE-OD2 3.11Å; R67-D69 PolarHBondContact O-N 3.02Å; R67-D69 VanDerWaalsContact O-N 3.09Å; R67-S70 VanDerWaalsContact O-CB 3.29Å; R67-S70 WeakPolarHBondContact O-CB 3.47Å; R67-S70 PolarHBondContact O-N 2.9Å |
| 68 | A | 60.3 | Low | 67.3 | Low | 106 Ų | 106 | 115.5 Ų | 115.5 | 88% | 0.876 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -29 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E66 S70 | E66-A68 PolarHBondContact O-N 2.88Å; A68-S70 PolarHBondContact O-N 3.08Å |
| 69 | D | 57.2 | Low | 67.9 | Low | 127 Ų | 127 | 117.6 Ų | 117.6 | 68% | 0.679 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -9.2 | 174.8 | -24.1 | -36.6 | 0 | 0 | 0 | 114.5 | R67 K71 | R67-D69 WeakPolarHBondContact CD-OD2 3.49Å; R67-D69 HydrophobicContact CG-CB 4.28Å; R67-D69 WeakPolarHBondContact CG-OD2 3.46Å; R67-D69 IonicContact NE-OD2 2.74Å; R67-D69 PolarHBondContact NE-OD2 2.91Å; R67-D69 VanDerWaalsContact NE-OD2 3.11Å; R67-D69 PolarHBondContact O-N 3.02Å; R67-D69 VanDerWaalsContact O-N 3.09Å; D69-K71 VanDerWaalsContact C-N 3.31Å; D69-K71 PolarHBondContact O-N 3.14Å |
| 70 | S | 50.9 | Low | 68.7 | Low | 54 Ų | 54 | 115.7 Ų | 115.7 | 38% | 0.378 | 57% | 0.565 | S | S | . | * | trans | -82.8 | 70.8 | -178.5 | -76.2 | 0 | 0 | 0 | 0 | 111.9 | R67 A68 W72 | R67-S70 VanDerWaalsContact O-CB 3.29Å; R67-S70 WeakPolarHBondContact O-CB 3.47Å; R67-S70 PolarHBondContact O-N 2.9Å; A68-S70 PolarHBondContact O-N 3.08Å; S70-W72 VanDerWaalsContact C-N 3.33Å; S70-W72 PolarHBondContact O-N 3.06Å | ||
| 71 | K | 57.5 | Low | 69.6 | Low | 123 Ų | 123 | 116.7 Ų | 116.7 | 54% | 0.535 | 57% | 0.567 | S | S | . | * | trans | -64.9 | 95.9 | 161.3 | -161.1 | -176.1 | 179.8 | 168.5 | 0 | 107.8 | D69 L73 E75 | D69-K71 VanDerWaalsContact C-N 3.31Å; D69-K71 PolarHBondContact O-N 3.14Å; K71-L73 WeakPolarHBondContact CG-O 3.28Å; K71-L73 PolarHBondContact O-N 2.98Å; K71-E75 IonicContact NZ-OE1 3.85Å; K71-E75 PolarHBondContact NZ-OE1 3.47Å; K71-E75 IonicContact NZ-OE2 3.21Å; K71-E75 PolarHBondContact NZ-OE2 2.8Å | ||
| 72 | W | 61.4 | Low | 70.6 | Confident | 217 Ų | 217 | 118.4 Ų | 118.4 | 82% | 0.822 | 58% | 0.575 | S | S | * | * | trans | -73.8 | -10 | -173.4 | -84.1 | 102.5 | 0 | 0 | 0 | 114.3 | S70 | S70-W72 VanDerWaalsContact C-N 3.33Å; S70-W72 PolarHBondContact O-N 3.06Å | ||
| 73 | L | 62.9 | Low | 71.6 | Confident | 61 Ų | 61 | 115.6 Ų | 115.6 | 32% | 0.319 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -118.2 | 137.3 | 180 | -62.3 | 167.8 | 0 | 0 | 0 | 108.6 | K71 D77 E81 | K71-L73 WeakPolarHBondContact CG-O 3.28Å; K71-L73 PolarHBondContact O-N 2.98Å; L73-D77 HydrophobicContact CB-CB 3.91Å; L73-D77 HydrophobicContact CD2-CB 3.82Å; L73-D77 HydrophobicContact CG-CB 4.47Å; L73-E81 HydrophobicContact CD1-CB 4.42Å; L73-E81 WeakPolarHBondContact CD1-OE2 3.37Å |
| 74 | S | 76 | Confident | 72.6 | Confident | 71 Ų | 71 | 109.8 Ų | 109.8 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | trans | -62.3 | 165.2 | 161 | -167.2 | 0 | 0 | 0 | 0 | 110 | A76 D77 S78 | S74-A76 VanDerWaalsContact C-N 3.31Å; S74-A76 PolarHBondContact O-N 3.11Å; S74-D77 WeakPolarHBondContact CB-OD2 3.46Å; S74-D77 PolarHBondContact N-OD2 3.24Å; S74-D77 PolarHBondContact O-N 2.71Å; S74-S78 PolarHBondContact O-N 3.15Å | ||
| 75 | E | 81.8 | Confident | 73.5 | Confident | 115 Ų | 115 | 104 Ų | 104 | 54% | 0.537 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -48.8 | -54.5 | 171.2 | -127 | 60.9 | -129.5 | 0 | 0 | 110.7 | K71 D77 S78 E79 | K71-E75 IonicContact NZ-OE1 3.85Å; K71-E75 PolarHBondContact NZ-OE1 3.47Å; K71-E75 IonicContact NZ-OE2 3.21Å; K71-E75 PolarHBondContact NZ-OE2 2.8Å; E75-D77 VanDerWaalsContact C-N 3.28Å; E75-D77 PolarHBondContact O-N 2.85Å; E75-S78 CarbonylContact O-C 3.53Å; E75-S78 WeakPolarHBondContact O-CA 3.4Å; E75-S78 VanDerWaalsContact O-CB 3.32Å; E75-S78 WeakPolarHBondContact O-CB 3.47Å; E75-S78 PolarHBondContact O-N 2.77Å; E75-E79 WeakPolarHBondContact O-CG 3.38Å; E75-E79 PolarHBondContact O-N 2.96Å |
| 76 | A | 81.3 | Confident | 74.6 | Confident | 57 Ų | 57 | 101.7 Ų | 101.7 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.7 | -19.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | S74 L80 | S74-A76 VanDerWaalsContact C-N 3.31Å; S74-A76 PolarHBondContact O-N 3.11Å; A76-L80 WeakPolarHBondContact O-CB 3.38Å; A76-L80 PolarHBondContact O-N 3.26Å |
| 77 | D | 82.8 | Confident | 75.9 | Confident | 70 Ų | 70 | 99.3 Ų | 99.3 | 37% | 0.374 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -84.5 | -28.6 | 172 | -53.8 | -47.8 | 0 | 0 | 0 | 110.4 | L73 S74 E75 E81 | L73-D77 HydrophobicContact CB-CB 3.91Å; L73-D77 HydrophobicContact CD2-CB 3.82Å; L73-D77 HydrophobicContact CG-CB 4.47Å; S74-D77 WeakPolarHBondContact CB-OD2 3.46Å; S74-D77 PolarHBondContact N-OD2 3.24Å; S74-D77 PolarHBondContact O-N 2.71Å; E75-D77 VanDerWaalsContact C-N 3.28Å; E75-D77 PolarHBondContact O-N 2.85Å; D77-E81 WeakPolarHBondContact O-CB 3.34Å; D77-E81 PolarHBondContact O-N 2.84Å |
| 78 | S | 83.9 | Confident | 77.2 | Confident | 46 Ų | 46 | 97.8 Ų | 97.8 | 32% | 0.322 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -74.1 | -42.9 | 174.2 | -163.1 | 0 | 0 | 0 | 0 | 111.6 | S74 E75 L80 E81 E82 | S74-S78 PolarHBondContact O-N 3.15Å; E75-S78 CarbonylContact O-C 3.53Å; E75-S78 WeakPolarHBondContact O-CA 3.4Å; E75-S78 VanDerWaalsContact O-CB 3.32Å; E75-S78 WeakPolarHBondContact O-CB 3.47Å; E75-S78 PolarHBondContact O-N 2.77Å; S78-L80 VanDerWaalsContact C-N 3.31Å; S78-L80 PolarHBondContact O-N 3.2Å; S78-E81 PolarHBondContact O-N 3.18Å; S78-E82 WeakPolarHBondContact O-CB 3.49Å; S78-E82 PolarHBondContact O-N 3.23Å |
| 79 | E | 87.1 | Confident | 78.3 | Confident | 115 Ų | 115 | 98.4 Ų | 98.4 | 54% | 0.537 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.3 | -43.4 | 170.2 | -69.8 | 161 | -162.7 | 0 | 0 | 110.7 | E75 E82 V83 | E75-E79 WeakPolarHBondContact O-CG 3.38Å; E75-E79 PolarHBondContact O-N 2.96Å; E79-E82 PolarHBondContact O-N 2.86Å; E79-V83 WeakPolarHBondContact O-CG2 3.14Å; E79-V83 PolarHBondContact O-N 3.26Å |
| 80 | L | 86.8 | Confident | 79.3 | Confident | 98 Ų | 98 | 99.1 Ų | 99.1 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 175.9 | -179.6 | 62.4 | 0 | 0 | 0 | 112.2 | A76 S78 E82 V83 L84 | A76-L80 WeakPolarHBondContact O-CB 3.38Å; A76-L80 PolarHBondContact O-N 3.26Å; S78-L80 VanDerWaalsContact C-N 3.31Å; S78-L80 PolarHBondContact O-N 3.2Å; L80-E82 VanDerWaalsContact C-N 3.34Å; L80-V83 PolarHBondContact O-N 3.06Å; L80-L84 HydrophobicContact CD1-CD1 4.28Å; L80-L84 HydrophobicContact CD1-CG 4.37Å; L80-L84 HydrophobicContact CG-CD1 4.02Å; L80-L84 WeakPolarHBondContact O-CB 3.19Å; L80-L84 WeakPolarHBondContact O-CG 3.47Å; L80-L84 PolarHBondContact O-N 2.9Å |
| 81 | E | 85.7 | Confident | 80.5 | Confident | 84 Ų | 84 | 102.1 Ų | 102.1 | 39% | 0.393 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70 | -30.8 | 175.3 | -174 | 152.2 | -169.2 | 0 | 0 | 112.1 | L73 D77 S78 N85 | L73-E81 HydrophobicContact CD1-CB 4.42Å; L73-E81 WeakPolarHBondContact CD1-OE2 3.37Å; D77-E81 WeakPolarHBondContact O-CB 3.34Å; D77-E81 PolarHBondContact O-N 2.84Å; S78-E81 PolarHBondContact O-N 3.18Å; E81-N85 VanDerWaalsContact O-CB 3.28Å; E81-N85 WeakPolarHBondContact O-CB 3.25Å; E81-N85 PolarHBondContact O-N 3.4Å; E81-N85 PolarHBondContact O-ND2 3.21Å |
| 82 | E | 87.4 | Confident | 81.1 | Confident | 132 Ų | 132 | 101.6 Ų | 101.6 | 62% | 0.617 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.2 | -46.9 | 171.5 | -171.8 | 159.7 | -151.1 | 0 | 0 | 111.7 | S78 E79 L80 L84 N85 V86 | S78-E82 WeakPolarHBondContact O-CB 3.49Å; S78-E82 PolarHBondContact O-N 3.23Å; E79-E82 PolarHBondContact O-N 2.86Å; L80-E82 VanDerWaalsContact C-N 3.34Å; E82-L84 PolarHBondContact O-N 3.07Å; E82-N85 CarbonylContact O-C 3.59Å; E82-N85 WeakPolarHBondContact O-CB 3.44Å; E82-N85 PolarHBondContact O-N 2.86Å; E82-N85 VanDerWaalsContact O-N 3.12Å; E82-V86 WeakPolarHBondContact O-CG2 3.33Å; E82-V86 PolarHBondContact O-N 3.26Å |
| 83 | V | 88.3 | Confident | 81.2 | Confident | 84 Ų | 84 | 95.6 Ų | 95.6 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 172.5 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | E79 L80 N85 V86 E87 | E79-V83 WeakPolarHBondContact O-CG2 3.14Å; E79-V83 PolarHBondContact O-N 3.26Å; L80-V83 PolarHBondContact O-N 3.06Å; V83-N85 VanDerWaalsContact C-N 3.25Å; V83-N85 PolarHBondContact O-N 2.92Å; V83-V86 PolarHBondContact O-N 3.21Å; V83-V86 VanDerWaalsContact O-N 3.17Å; V83-E87 PolarHBondContact O-N 3.4Å |
| 84 | L | 87.9 | Confident | 80.9 | Confident | 77 Ų | 77 | 96.8 Ų | 96.8 | 40% | 0.403 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.1 | -24 | 176.1 | -72.9 | 169.4 | 0 | 0 | 0 | 113.2 | L80 E82 R88 | L80-L84 HydrophobicContact CD1-CD1 4.28Å; L80-L84 HydrophobicContact CD1-CG 4.37Å; L80-L84 HydrophobicContact CG-CD1 4.02Å; L80-L84 WeakPolarHBondContact O-CB 3.19Å; L80-L84 WeakPolarHBondContact O-CG 3.47Å; L80-L84 PolarHBondContact O-N 2.9Å; E82-L84 PolarHBondContact O-N 3.07Å; L84-R88 WeakPolarHBondContact O-CB 3.42Å; L84-R88 PolarHBondContact O-N 2.74Å; L84-R88 VanDerWaalsContact O-N 3.11Å |
| 85 | N | 86.6 | Confident | 79.9 | Confident | 46 Ų | 46 | 96.5 Ų | 96.5 | 25% | 0.246 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -78 | -40 | 170.8 | -74.5 | -36.3 | 0 | 0 | 0 | 110.6 | E81 E82 V83 E87 R88 Y89 | E81-N85 VanDerWaalsContact O-CB 3.28Å; E81-N85 WeakPolarHBondContact O-CB 3.25Å; E81-N85 PolarHBondContact O-N 3.4Å; E81-N85 PolarHBondContact O-ND2 3.21Å; E82-N85 CarbonylContact O-C 3.59Å; E82-N85 WeakPolarHBondContact O-CB 3.44Å; E82-N85 PolarHBondContact O-N 2.86Å; E82-N85 VanDerWaalsContact O-N 3.12Å; V83-N85 VanDerWaalsContact C-N 3.25Å; V83-N85 PolarHBondContact O-N 2.92Å; N85-E87 VanDerWaalsContact C-N 3.35Å; N85-E87 PolarHBondContact O-N 2.8Å; N85-R88 PolarHBondContact O-N 3.2Å; N85-R88 VanDerWaalsContact OD1-CZ 3.22Å; N85-R88 PolarHBondContact OD1-NH1 2.84Å; N85-R88 PolarHBondContact OD1-NH2 2.82Å; N85-Y89 HydrophobicContact CB-CD2 4.19Å; N85-Y89 HydrophobicContact CB-CE2 4.31Å; N85-Y89 WeakPolarHBondContact O-CB 3.49Å; N85-Y89 WeakPolarHBondContact O-CD2 3.13Å; N85-Y89 PolarHBondContact O-N 3.45Å |
| 86 | V | 85.3 | Confident | 78.6 | Confident | 99 Ų | 99 | 93.6 Ų | 93.6 | 60% | 0.6 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.1 | -43.1 | 172.2 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | E82 V83 Y89 R90 | E82-V86 WeakPolarHBondContact O-CG2 3.33Å; E82-V86 PolarHBondContact O-N 3.26Å; V83-V86 PolarHBondContact O-N 3.21Å; V83-V86 VanDerWaalsContact O-N 3.17Å; V86-Y89 PolarHBondContact O-N 2.85Å; V86-R90 WeakPolarHBondContact O-CB 3.42Å; V86-R90 PolarHBondContact O-N 3.23Å |
| 87 | E | 84.9 | Confident | 77.2 | Confident | 127 Ų | 127 | 94.1 Ų | 94.1 | 59% | 0.593 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.8 | -45 | 171.9 | -72.4 | -172.4 | 155.8 | 0 | 0 | 112 | V83 N85 Y89 R90 | V83-E87 PolarHBondContact O-N 3.4Å; N85-E87 VanDerWaalsContact C-N 3.35Å; N85-E87 PolarHBondContact O-N 2.8Å; E87-Y89 VanDerWaalsContact C-N 3.33Å; E87-Y89 PolarHBondContact O-N 3.34Å; E87-R90 WeakPolarHBondContact O-CB 3.18Å; E87-R90 PolarHBondContact O-N 2.87Å |
| 88 | R | 85.1 | Confident | 75.7 | Confident | 145 Ų | 145 | 97.6 Ų | 97.6 | 55% | 0.547 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.6 | -27.8 | -179 | -170.1 | -170.7 | -52.8 | 150 | 12.3 | 113.9 | L84 N85 | L84-R88 WeakPolarHBondContact O-CB 3.42Å; L84-R88 PolarHBondContact O-N 2.74Å; L84-R88 VanDerWaalsContact O-N 3.11Å; N85-R88 PolarHBondContact O-N 3.2Å; N85-R88 VanDerWaalsContact OD1-CZ 3.22Å; N85-R88 PolarHBondContact OD1-NH1 2.84Å; N85-R88 PolarHBondContact OD1-NH2 2.82Å |
| 89 | Y | 84.4 | Confident | 74.1 | Confident | 119 Ų | 119 | 100 Ų | 100 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -103 | 4.8 | 179.3 | -67.6 | -60.9 | 0 | 0 | 0 | 113.1 | N85 V86 E87 D91 L92 V93 | N85-Y89 HydrophobicContact CB-CD2 4.19Å; N85-Y89 HydrophobicContact CB-CE2 4.31Å; N85-Y89 WeakPolarHBondContact O-CB 3.49Å; N85-Y89 WeakPolarHBondContact O-CD2 3.13Å; N85-Y89 PolarHBondContact O-N 3.45Å; V86-Y89 PolarHBondContact O-N 2.85Å; E87-Y89 VanDerWaalsContact C-N 3.33Å; E87-Y89 PolarHBondContact O-N 3.34Å; Y89-D91 PolarHBondContact O-N 3.09Å; Y89-L92 HydrophobicContact CD1-CB 4.29Å; Y89-L92 HydrophobicContact CD1-CD2 3.72Å; Y89-L92 HydrophobicContact CE1-CD2 4.2Å; Y89-L92 WeakPolarHBondContact O-CA 3.42Å; Y89-L92 WeakPolarHBondContact O-CB 3.29Å; Y89-L92 PolarHBondContact O-N 2.88Å; Y89-V93 PolarHBondContact O-N 2.79Å |
| 90 | R | 78.3 | Confident | 72.4 | Confident | 141 Ų | 141 | 99.2 Ų | 99.2 | 53% | 0.532 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.6 | -50.1 | -179.8 | -156.1 | 178.5 | 173.9 | -64 | -19.4 | 111.2 | V86 E87 L92 V93 E94 | V86-R90 WeakPolarHBondContact O-CB 3.42Å; V86-R90 PolarHBondContact O-N 3.23Å; E87-R90 WeakPolarHBondContact O-CB 3.18Å; E87-R90 PolarHBondContact O-N 2.87Å; R90-L92 PolarHBondContact O-N 2.95Å; R90-V93 PolarHBondContact O-N 3.17Å; R90-E94 IonicContact CZ-OE1 2.7Å; R90-E94 VanDerWaalsContact CZ-OE1 3.27Å; R90-E94 IonicContact NH1-OE1 3.15Å; R90-E94 PolarHBondContact NH1-OE1 3.08Å; R90-E94 IonicContact NH1-OE2 2.78Å; R90-E94 IonicContact NH2-OE1 2.69Å; R90-E94 PolarHBondContact NH2-OE1 2.91Å; R90-E94 PolarHBondContact O-N 3.47Å; R90-E94 VanDerWaalsContact O-N 3.11Å |
| 91 | D | 74.7 | Confident | 70.8 | Confident | 117 Ų | 117 | 103.3 Ų | 103.3 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58 | -32 | 173.9 | -50.9 | 8.2 | 0 | 0 | 0 | 112.5 | Y89 V95 | Y89-D91 PolarHBondContact O-N 3.09Å; D91-V95 WeakPolarHBondContact O-CG2 3.45Å; D91-V95 PolarHBondContact O-N 3.13Å |
| 92 | L | 70 | Confident | 69.2 | Low | 112 Ų | 112 | 103.8 Ų | 103.8 | 59% | 0.586 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -78.9 | -30.8 | -179 | -161.6 | 74.1 | 0 | 0 | 0 | 112.2 | Y89 R90 S96 | Y89-L92 HydrophobicContact CD1-CB 4.29Å; Y89-L92 HydrophobicContact CD1-CD2 3.72Å; Y89-L92 HydrophobicContact CE1-CD2 4.2Å; Y89-L92 WeakPolarHBondContact O-CA 3.42Å; Y89-L92 WeakPolarHBondContact O-CB 3.29Å; Y89-L92 PolarHBondContact O-N 2.88Å; R90-L92 PolarHBondContact O-N 2.95Å; L92-S96 PolarHBondContact O-N 3.41Å |
| 93 | V | 63.3 | Low | 67.5 | Low | 92 Ų | 92 | 104.2 Ų | 104.2 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -71.4 | -44.6 | 172.7 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | Y89 R90 V95 S96 S97 | Y89-V93 PolarHBondContact O-N 2.79Å; R90-V93 PolarHBondContact O-N 3.17Å; V93-V95 VanDerWaalsContact C-N 3.35Å; V93-V95 PolarHBondContact O-N 3.04Å; V93-S96 WeakPolarHBondContact O-CA 3.28Å; V93-S96 WeakPolarHBondContact O-CB 3.44Å; V93-S96 PolarHBondContact O-N 3.03Å; V93-S96 PolarHBondContact O-OG 3.48Å; V93-S97 PolarHBondContact O-N 3.38Å; V93-S97 VanDerWaalsContact O-N 3.11Å; V93-S97 PolarHBondContact O-OG 3.42Å |
| 94 | E | 57.3 | Low | 65.7 | Low | 86 Ų | 86 | 103.7 Ų | 103.7 | 40% | 0.402 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.9 | -44.4 | -179.8 | -72.8 | 177.7 | 173.7 | 0 | 0 | 111.4 | R90 S96 S97 E98 | R90-E94 IonicContact CZ-OE1 2.7Å; R90-E94 VanDerWaalsContact CZ-OE1 3.27Å; R90-E94 IonicContact NH1-OE1 3.15Å; R90-E94 PolarHBondContact NH1-OE1 3.08Å; R90-E94 IonicContact NH1-OE2 2.78Å; R90-E94 IonicContact NH2-OE1 2.69Å; R90-E94 PolarHBondContact NH2-OE1 2.91Å; R90-E94 PolarHBondContact O-N 3.47Å; R90-E94 VanDerWaalsContact O-N 3.11Å; E94-S96 VanDerWaalsContact C-N 3.33Å; E94-S96 PolarHBondContact O-N 3.34Å; E94-S97 WeakPolarHBondContact CA-OG 3.08Å; E94-S97 PolarHBondContact O-N 2.97Å; E94-S97 VanDerWaalsContact O-N 3.15Å; E94-S97 PolarHBondContact O-OG 3.04Å; E94-E98 PolarHBondContact O-N 3.49Å |
| 95 | V | 54.5 | Low | 63.9 | Low | 65 Ų | 65 | 109.2 Ų | 109.2 | 39% | 0.394 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -55.1 | -44.5 | 170.6 | 169.2 | 0 | 0 | 0 | 0 | 112.2 | D91 V93 S97 E98 E99 | D91-V95 WeakPolarHBondContact O-CG2 3.45Å; D91-V95 PolarHBondContact O-N 3.13Å; V93-V95 VanDerWaalsContact C-N 3.35Å; V93-V95 PolarHBondContact O-N 3.04Å; V95-S97 VanDerWaalsContact C-N 3.27Å; V95-S97 PolarHBondContact O-N 3.37Å; V95-E98 PolarHBondContact O-N 3.15Å; V95-E99 HydrophobicContact CG1-CG 4.16Å; V95-E99 WeakPolarHBondContact CG1-OE1 3.31Å; V95-E99 WeakPolarHBondContact O-CB 3.49Å; V95-E99 VanDerWaalsContact O-CG 3.3Å; V95-E99 WeakPolarHBondContact O-CG 3.48Å; V95-E99 PolarHBondContact O-N 3.46Å |
| 96 | S | 54.5 | Low | 62 | Low | 54 Ų | 54 | 117 Ų | 117 | 38% | 0.378 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.8 | -24.4 | -179.1 | 77.2 | 0 | 0 | 0 | 0 | 113.9 | L92 V93 E94 N100 | L92-S96 PolarHBondContact O-N 3.41Å; V93-S96 WeakPolarHBondContact O-CA 3.28Å; V93-S96 WeakPolarHBondContact O-CB 3.44Å; V93-S96 PolarHBondContact O-N 3.03Å; V93-S96 PolarHBondContact O-OG 3.48Å; E94-S96 VanDerWaalsContact C-N 3.33Å; E94-S96 PolarHBondContact O-N 3.34Å; S96-N100 PolarHBondContact O-ND2 3.14Å |
| 97 | S | 52.1 | Low | 60.2 | Low | 67 Ų | 67 | 123.4 Ų | 123.4 | 47% | 0.469 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -77.1 | -45.9 | 170 | 30.1 | 0 | 0 | 0 | 0 | 112.3 | V93 E94 V95 E99 N100 | V93-S97 PolarHBondContact O-N 3.38Å; V93-S97 VanDerWaalsContact O-N 3.11Å; V93-S97 PolarHBondContact O-OG 3.42Å; E94-S97 WeakPolarHBondContact CA-OG 3.08Å; E94-S97 PolarHBondContact O-N 2.97Å; E94-S97 VanDerWaalsContact O-N 3.15Å; E94-S97 PolarHBondContact O-OG 3.04Å; V95-S97 VanDerWaalsContact C-N 3.27Å; V95-S97 PolarHBondContact O-N 3.37Å; S97-E99 VanDerWaalsContact C-N 3.32Å; S97-E99 PolarHBondContact O-N 2.58Å; S97-N100 WeakPolarHBondContact O-CB 3.31Å; S97-N100 PolarHBondContact O-N 2.91Å |
| 98 | E | 51.7 | Low | 58.4 | Low | 143 Ų | 143 | 121.8 Ų | 121.8 | 67% | 0.668 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.1 | -39.2 | 178.3 | -67.3 | -175.9 | 160.5 | 0 | 0 | 111.9 | E94 V95 N100 E101 D102 | E94-E98 PolarHBondContact O-N 3.49Å; V95-E98 PolarHBondContact O-N 3.15Å; E98-N100 PolarHBondContact O-N 2.95Å; E98-N100 VanDerWaalsContact O-N 3.08Å; E98-E101 PolarHBondContact O-N 2.92Å; E98-D102 PolarHBondContact O-N 2.66Å |
| 99 | E | 50.9 | Low | 56.9 | Low | 97 Ų | 97 | 121.3 Ų | 121.3 | 45% | 0.453 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -57.7 | -20.9 | 173.4 | -80.5 | 177.1 | 173.8 | 0 | 0 | 113.3 | V95 S97 K103 | V95-E99 HydrophobicContact CG1-CG 4.16Å; V95-E99 WeakPolarHBondContact CG1-OE1 3.31Å; V95-E99 WeakPolarHBondContact O-CB 3.49Å; V95-E99 VanDerWaalsContact O-CG 3.3Å; V95-E99 WeakPolarHBondContact O-CG 3.48Å; V95-E99 PolarHBondContact O-N 3.46Å; S97-E99 VanDerWaalsContact C-N 3.32Å; S97-E99 PolarHBondContact O-N 2.58Å; E99-K103 WeakPolarHBondContact O-CE 3.41Å; E99-K103 WeakPolarHBondContact O-CG 3.36Å |
| 100 | N | 51.3 | Low | 55.8 | Low | 98 Ų | 98 | 122 Ų | 122 | 52% | 0.524 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -82.5 | -30.1 | 178.9 | -86 | -69.8 | 0 | 0 | 0 | 114.4 | S96 S97 E98 K103 | S96-N100 PolarHBondContact O-ND2 3.14Å; S97-N100 WeakPolarHBondContact O-CB 3.31Å; S97-N100 PolarHBondContact O-N 2.91Å; E98-N100 PolarHBondContact O-N 2.95Å; E98-N100 VanDerWaalsContact O-N 3.08Å; N100-K103 PolarHBondContact OD1-NZ 3.22Å |
| 101 | E | 52.9 | Low | 54.6 | Low | 185 Ų | 185 | 124.2 Ų | 124.2 | 86% | 0.864 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -87 | -34.3 | -178.3 | -60.5 | -155.8 | 150.8 | 0 | 0 | 112.7 | E98 K103 | E98-E101 PolarHBondContact O-N 2.92Å; E101-K103 PolarHBondContact O-N 3.05Å |
| 102 | D | 52.5 | Low | 53.6 | Low | 94 Ų | 94 | 127.1 Ų | 127.1 | 50% | 0.503 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -83.4 | 11.6 | -176.8 | -135.3 | -6.8 | 0 | 0 | 0 | 114.1 | E98 G104 R105 | E98-D102 PolarHBondContact O-N 2.66Å; D102-G104 PolarHBondContact O-N 2.94Å; D102-R105 PolarHBondContact O-N 3.42Å; D102-R105 WeakPolarHBondContact OD1-CD 3.39Å; D102-R105 WeakPolarHBondContact OD1-CG 3.1Å; D102-R105 IonicContact OD1-NE 2.79Å; D102-R105 IonicContact OD1-NH1 2.74Å |
| 103 | K | 51.7 | Low | 53.1 | Low | 141 Ų | 141 | 126.7 Ų | 126.7 | 61% | 0.613 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -60.4 | -8.4 | -178.8 | -68.4 | -174.3 | 164.7 | 162.2 | 0 | 115 | E99 N100 E101 R105 | E99-K103 WeakPolarHBondContact O-CE 3.41Å; E99-K103 WeakPolarHBondContact O-CG 3.36Å; N100-K103 PolarHBondContact OD1-NZ 3.22Å; E101-K103 PolarHBondContact O-N 3.05Å; K103-R105 VanDerWaalsContact C-N 3.29Å |
| 104 | G | 49.1 | Very low | 53 | Low | 73 Ų | 73 | 132.4 Ų | 132.4 | 75% | 0.753 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -72.4 | -13.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115 | D102 | D102-G104 PolarHBondContact O-N 2.94Š|
| 105 | R | 50.3 | Low | 52.8 | Low | 192 Ų | 192 | 134.9 Ų | 134.9 | 73% | 0.725 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -117 | 46.3 | -163.8 | -65.8 | -165.3 | 176.2 | 161.9 | -6.5 | 116.7 | D102 K103 R107 | D102-R105 PolarHBondContact O-N 3.42Å; D102-R105 WeakPolarHBondContact OD1-CD 3.39Å; D102-R105 WeakPolarHBondContact OD1-CG 3.1Å; D102-R105 IonicContact OD1-NE 2.79Å; D102-R105 IonicContact OD1-NH1 2.74Å; K103-R105 VanDerWaalsContact C-N 3.29Å; R105-R107 PolarHBondContact O-N 3.41Å |
| 106 | K | 46.8 | Very low | 52.3 | Low | 209 Ų | 209 | 138 Ų | 138 | 91% | 0.909 | 68% | 0.679 | S | S | * | * | trans | 49.3 | 58.1 | 152.3 | -58 | -179.9 | 179.4 | 176.4 | 0 | 116.2 | ||||
| 107 | R | 47 | Very low | 51.9 | Low | 234 Ų | 234 | 140.9 Ų | 140.9 | 88% | 0.883 | 70% | 0.7 | S | S | * | * | trans | -112.4 | 147.1 | 161 | -144.6 | 172.6 | -174.5 | -179.1 | -0.2 | 109.3 | R105 | R105-R107 PolarHBondContact O-N 3.41Š| ||
| 108 | A | 48.6 | Very low | 51.4 | Low | 94 Ų | 94 | 142.9 Ų | 142.9 | 78% | 0.777 | 71% | 0.714 | S | S | * | * | trans | -113 | 90.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 109 | E | 54.1 | Low | 51 | Low | 135 Ų | 135 | 141.5 Ų | 141.5 | 63% | 0.631 | 72% | 0.72 | S | S | * | * | trans | -71.2 | 143.9 | 166.2 | -79 | 109 | -116.5 | 0 | 0 | 111.5 | ||||
| 110 | I | 60.5 | Low | 50.5 | Low | 132 Ų | 132 | 141.4 Ų | 141.4 | 68% | 0.677 | 74% | 0.735 | S | S | * | * | trans | -106.2 | 100.3 | 177.8 | -57.2 | 176.6 | 0 | 0 | 0 | 108.1 | Y112 | I110-Y112 HydrophobicContact CB-CE2 4.32Å; I110-Y112 HydrophobicContact CG2-CD2 4.11Å; I110-Y112 HydrophobicContact CG2-CE2 3.58Å; I110-Y112 WeakPolarHBondContact O-CD2 3.42Å | ||
| 111 | F | 53.3 | Low | 49.7 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | trans | -68.4 | 138.9 | 174.6 | -174.3 | -95.1 | 0 | 0 | 0 | 111.3 | D113 | F111-D113 HydrophobicContact CE1-CB 4.25Š| ||
| 112 | Y | 53.2 | Low | 49.1 | Very low | 179 Ų | 179 | 140.7 Ų | 140.7 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | trans | -126.9 | 118.8 | 176.9 | -82.1 | -91.8 | 0 | 0 | 0 | 110.8 | I110 | I110-Y112 HydrophobicContact CB-CE2 4.32Å; I110-Y112 HydrophobicContact CG2-CD2 4.11Å; I110-Y112 HydrophobicContact CG2-CE2 3.58Å; I110-Y112 WeakPolarHBondContact O-CD2 3.42Å | ||
| 113 | D | 58.9 | Low | 48.2 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 55% | 0.551 | 75% | 0.751 | S | S | * | * | trans | -95.3 | 137.1 | 170 | -172.2 | -16.5 | 0 | 0 | 0 | 110.2 | F111 N115 | F111-D113 HydrophobicContact CE1-CB 4.25Å; D113-N115 PolarHBondContact OD1-N 3.32Å; D113-N115 VanDerWaalsContact OD1-N 3.16Å; D113-N115 PolarHBondContact OD1-ND2 3.04Å | ||
| 114 | Y | 61.3 | Low | 47.6 | Very low | 212 Ų | 212 | 141.8 Ų | 141.8 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -92.4 | -1.8 | -171.6 | -87.7 | -92 | 0 | 0 | 0 | 114.9 | ||
| 115 | N | 54 | Low | 47.1 | Very low | 138 Ų | 138 | 145.4 Ų | 145.4 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | -82.2 | -11.6 | -171.3 | -72.3 | -73.1 | 0 | 0 | 0 | 116 | D113 S117 | D113-N115 PolarHBondContact OD1-N 3.32Å; D113-N115 VanDerWaalsContact OD1-N 3.16Å; D113-N115 PolarHBondContact OD1-ND2 3.04Å; N115-S117 PolarHBondContact O-N 3.46Å | ||
| 116 | T | 44.5 | Very low | 46.3 | Very low | 129 Ų | 129 | 145 Ų | 145 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -83.8 | 76.2 | -172.3 | -51.9 | 0 | 0 | 0 | 0 | 113.3 | S118 | T116-S118 PolarHBondContact O-N 2.67Š| ||
| 117 | S | 45.3 | Very low | 45.9 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -86.8 | 103.6 | 171.8 | -78.3 | 0 | 0 | 0 | 0 | 113.3 | N115 | N115-S117 PolarHBondContact O-N 3.46Š| ||
| 118 | S | 41 | Very low | 45.3 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 89.4 | 139.5 | 160.6 | -149 | 0 | 0 | 0 | 0 | 119.5 | T116 | T116-S118 PolarHBondContact O-N 2.67Š|
| 119 | S | 43.1 | Very low | 44.5 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | 77.1 | 152.6 | 172.2 | 77.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 120 | A | 40.9 | Very low | 43.6 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | trans | 69.9 | 126.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 121 | D | 34.1 | Very low | 43 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | trans | -59.8 | 145.6 | 148.1 | -62.2 | -82.7 | 0 | 0 | 0 | 108.5 | ||||
| 122 | P | 40.5 | Very low | 42.6 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | -140.3 | 138.7 | 107.6 | 35.3 | -23.1 | 0 | 0 | 0 | 114.9 | V124 | P122-V124 PolarHBondContact O-N 2.78Š| |||
| 123 | T | 33.5 | Very low | 42.8 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | 19.3 | 94.4 | 126.7 | -23.4 | 0 | 0 | 0 | 0 | 117 | Q125 | T123-Q125 VanDerWaalsContact C-N 3.3Å; T123-Q125 HydrophobicContact CG2-CG 3.48Å; T123-Q125 VanDerWaalsContact CG2-CG 3.48Å; T123-Q125 PolarHBondContact O-N 3.23Å | |||
| 124 | V | 39.3 | Very low | 43 | Very low | 151 Ų | 151 | 128.6 Ų | 128.6 | 92% | 0.915 | 77% | 0.765 | S | S | * | * | trans | -69.4 | 95.1 | 152.8 | 177.6 | 0 | 0 | 0 | 0 | 107 | P122 | P122-V124 PolarHBondContact O-N 2.78Š| ||
| 125 | Q | 39.2 | Very low | 43.3 | Very low | 149 Ų | 149 | 119.8 Ų | 119.8 | 70% | 0.696 | 73% | 0.731 | S | S | * | * | trans | -76.8 | 125.9 | 175.7 | -71.2 | -176.7 | -30.4 | 0 | 0 | 110.5 | T123 A127 | T123-Q125 VanDerWaalsContact C-N 3.3Å; T123-Q125 HydrophobicContact CG2-CG 3.48Å; T123-Q125 VanDerWaalsContact CG2-CG 3.48Å; T123-Q125 PolarHBondContact O-N 3.23Å; Q125-A127 PolarHBondContact O-N 3.08Å | ||
| 126 | E | 32.7 | Very low | 44 | Very low | 183 Ų | 183 | 119.3 Ų | 119.3 | 86% | 0.855 | 73% | 0.732 | S | S | * | * | trans | 26.6 | 78.3 | 140.5 | -61.9 | 176.6 | 109.7 | 0 | 0 | 118.1 | ||||
| 127 | A | 38 | Very low | 45.1 | Very low | 103 Ų | 103 | 115.4 Ų | 115.4 | 85% | 0.851 | 71% | 0.708 | S | S | * | * | trans | -80 | 107.6 | 138.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | Q125 | Q125-A127 PolarHBondContact O-N 3.08Š| ||
| 128 | A | 36.2 | Very low | 46 | Very low | 88 Ų | 88 | 112.1 Ų | 112.1 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | trans | -55.6 | 153.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 129 | T | 31.6 | Very low | 46.9 | Very low | 122 Ų | 122 | 112.6 Ų | 112.6 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | cis | -157.3 | -177.3 | 48.3 | 48.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 130 | C | 34.6 | Very low | 48 | Very low | 85 Ų | 85 | 112.6 Ų | 112.6 | 57% | 0.574 | 68% | 0.675 | S | S | * | * | trans | 70.7 | 72.5 | 167.7 | -64.2 | 0 | 0 | 0 | 0 | 117.8 | K154 | C130-K154 PolarHBondContact O-NZ 3.05Š| ||
| 131 | E | 47.7 | Very low | 49.3 | Very low | 171 Ų | 171 | 108.1 Ų | 108.1 | 80% | 0.799 | 64% | 0.638 | S | S | * | * | 51.4 | 100.9 | 111.2 | -64.6 | 173.3 | -144.2 | 0 | 0 | 119 | D133 | E131-D133 VanDerWaalsContact C-N 3.29Å; E131-D133 PolarHBondContact O-N 3.43Å | |||
| 132 | D | 45.2 | Very low | 51 | Low | 157 Ų | 157 | 108.7 Ų | 108.7 | 84% | 0.84 | 63% | 0.633 | S | S | * | * | 35 | 28.9 | 117.3 | -65.8 | -32.3 | 0 | 0 | 0 | 123.3 | A134 | D132-A134 VanDerWaalsContact C-N 3.32Å; D132-A134 PolarHBondContact O-N 2.99Å | |||
| 133 | D | 57.2 | Low | 52.5 | Low | 126 Ų | 126 | 105.2 Ų | 105.2 | 67% | 0.674 | 61% | 0.609 | S | S | * | * | trans | -66.4 | 88 | 160.7 | -99.4 | -15.4 | 0 | 0 | 0 | 111.7 | E131 F135 S153 | E131-D133 VanDerWaalsContact C-N 3.29Å; E131-D133 PolarHBondContact O-N 3.43Å; D133-F135 PolarHBondContact O-N 2.88Å; D133-S153 PolarHBondContact O-N 2.88Å; D133-S153 VanDerWaalsContact O-N 3.16Å | ||
| 134 | A | 63.8 | Low | 54.3 | Low | 79 Ų | 79 | 103.2 Ų | 103.2 | 65% | 0.653 | 60% | 0.598 | S | S | * | * | B | Isolated β-bridge | trans | -61.6 | 124.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | D132 V136 | D132-A134 VanDerWaalsContact C-N 3.32Å; D132-A134 PolarHBondContact O-N 2.99Å; A134-V136 PolarHBondContact O-N 3.22Å; A134-V136 VanDerWaalsContact O-N 3.08Å |
| 135 | F | 67.3 | Low | 55.2 | Low | 27 Ų | 27 | 106.5 Ų | 106.5 | 12% | 0.118 | 60% | 0.6 | C | S | . | * | trans | -74.1 | 105.9 | -165.2 | 175.3 | -119.2 | 0 | 0 | 0 | 113.9 | D133 V137 P138 V149 P150 K151 H156 | D133-F135 PolarHBondContact O-N 2.88Å; F135-V137 HydrophobicContact CE1-CG2 4.17Å; F135-P138 HydrophobicContact CE2-CG 4.39Å; F135-P138 HydrophobicContact CZ-CG 4.37Å; F135-V149 HydrophobicContact CD1-CG1 3.6Å; F135-V149 HydrophobicContact CE1-CG1 3.94Å; F135-P150 HydrophobicContact CD1-CB 4.07Å; F135-P150 HydrophobicContact CD1-CG 4.25Å; F135-P150 HydrophobicContact CE1-CG 4.26Å; F135-K151 PolarHBondContact N-O 3.48Å; F135-H156 HydrophobicContact CD1-CB 4.09Å; F135-H156 HydrophobicContact CD2-CB 3.83Å; F135-H156 HydrophobicContact CE1-CB 3.87Å; F135-H156 AromaticContact CE1-CG 3.81Å; F135-H156 AromaticContact CE1-ND1 3.9Å; F135-H156 HydrophobicContact CE2-CB 3.6Å; F135-H156 AromaticContact CE2-CD2 3.23Å; F135-H156 WeakPolarHBondContact CE2-CD2 3.41Å; F135-H156 AromaticContact CE2-CG 3.33Å; F135-H156 AromaticContact CE2-NE2 3.86Å; F135-H156 HydrophobicContact CG-CB 4.07Å; F135-H156 HydrophobicContact CZ-CB 3.62Å; F135-H156 AromaticContact CZ-CD2 3.41Å; F135-H156 VanDerWaalsContact CZ-CD2 3.41Å; F135-H156 WeakPolarHBondContact CZ-CD2 3.38Å; F135-H156 AromaticContact CZ-CE1 3.7Å; F135-H156 AromaticContact CZ-CG 3.16Å; F135-H156 AromaticContact CZ-ND1 3.37Å; F135-H156 WeakPolarHBondContact CZ-ND1 3.35Å; F135-H156 AromaticContact CZ-NE2 3.72Å | ||
| 136 | V | 68.2 | Low | 56.8 | Low | 128 Ų | 128 | 103.2 Ų | 103.2 | 78% | 0.776 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 121.9 | 167.6 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | A134 P138 | A134-V136 PolarHBondContact O-N 3.22Å; A134-V136 VanDerWaalsContact O-N 3.08Å; V136-P138 WeakPolarHBondContact O-CD 3.1Å |
| 137 | V | 67.3 | Low | 59 | Low | 47 Ų | 47 | 95.8 Ų | 95.8 | 29% | 0.285 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 123.9 | -177.7 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | F135 S139 L141 V143 V149 | F135-V137 HydrophobicContact CE1-CG2 4.17Å; V137-S139 PolarHBondContact O-N 2.69Å; V137-L141 HydrophobicContact CG1-CB 4.44Å; V137-V143 HydrophobicContact CG1-CG2 3.79Å; V137-V149 HydrophobicContact CG2-CB 4.3Å; V137-V149 HydrophobicContact CG2-CG1 3.48Å; V137-V149 VanDerWaalsContact CG2-CG1 3.48Å; V137-V149 HydrophobicContact CG2-CG2 3.73Å |
| 138 | P | 65.7 | Low | 61.1 | Low | 46 Ų | 46 | 94 Ų | 94 | 30% | 0.299 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 124.6 | 170.7 | -27.3 | 35.1 | 0 | 0 | 0 | 112 | F135 V136 E140 L141 | F135-P138 HydrophobicContact CE2-CG 4.39Å; F135-P138 HydrophobicContact CZ-CG 4.37Å; V136-P138 WeakPolarHBondContact O-CD 3.1Å; P138-E140 PolarHBondContact O-N 2.87Å; P138-L141 HydrophobicContact CB-CD1 4.47Å; P138-L141 HydrophobicContact CG-CD1 4.46Å; P138-L141 PolarHBondContact O-N 3.08Å |
| 139 | S | 58.9 | Low | 63.3 | Low | 120 Ų | 120 | 92.2 Ų | 92.2 | 84% | 0.839 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -54.6 | -24.5 | -172.2 | -51.7 | 0 | 0 | 0 | 0 | 114.8 | V137 L141 | V137-S139 PolarHBondContact O-N 2.69Å; S139-L141 VanDerWaalsContact C-N 3.34Å; S139-L141 PolarHBondContact O-N 3.04Å |
| 140 | E | 66.9 | Low | 65.9 | Low | 113 Ų | 113 | 86.6 Ų | 86.6 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -68.7 | -28 | 179.9 | -58.1 | -173.9 | 175 | 0 | 0 | 113.6 | P138 K142 Y212 | P138-E140 PolarHBondContact O-N 2.87Å; E140-K142 PolarHBondContact O-N 3.25Å; E140-Y212 HydrophobicContact CB-CD2 4.29Å |
| 141 | L | 67.4 | Low | 68.1 | Low | 0 Ų | 0 | 90.7 Ų | 90.7 | 0% | 0 | 51% | 0.505 | C | S | . | . | G | 310 helix | trans | -69.8 | -15.3 | -171.6 | -82.6 | 168.9 | 0 | 0 | 0 | 114.4 | V137 P138 S139 V143 Y199 H202 V203 Y212 | V137-L141 HydrophobicContact CG1-CB 4.44Å; P138-L141 HydrophobicContact CB-CD1 4.47Å; P138-L141 HydrophobicContact CG-CD1 4.46Å; P138-L141 PolarHBondContact O-N 3.08Å; S139-L141 VanDerWaalsContact C-N 3.34Å; S139-L141 PolarHBondContact O-N 3.04Å; L141-V143 HydrophobicContact CB-CG2 3.86Å; L141-V143 PolarHBondContact O-N 3.18Å; L141-V143 VanDerWaalsContact O-N 3.1Å; L141-Y199 WeakPolarHBondContact CD1-OH 3.44Å; L141-H202 PolarHBondContact O-NE2 2.89Å; L141-H202 VanDerWaalsContact O-NE2 3.08Å; L141-V203 HydrophobicContact CD2-CG2 4.05Å; L141-Y212 HydrophobicContact CD1-CE2 4.1Å; L141-Y212 HydrophobicContact CD2-CD1 3.66Å; L141-Y212 HydrophobicContact CD2-CD2 3.61Å; L141-Y212 HydrophobicContact CD2-CE1 3.89Å; L141-Y212 HydrophobicContact CD2-CE2 3.81Å; L141-Y212 HydrophobicContact CD2-CG 3.51Å; L141-Y212 HydrophobicContact CG-CD2 3.75Å; L141-Y212 HydrophobicContact CG-CE1 4.49Å; L141-Y212 HydrophobicContact CG-CE2 3.64Å; L141-Y212 HydrophobicContact CG-CG 4.19Å |
| 142 | K | 69.5 | Low | 69.9 | Low | 171 Ų | 171 | 86.3 Ų | 86.3 | 74% | 0.743 | 49% | 0.488 | S | S | * | . | trans | 47.3 | 40.4 | 175.5 | -66.9 | -173.9 | 179.1 | -175 | 0 | 114.4 | E140 P144 M206 | E140-K142 PolarHBondContact O-N 3.25Å; K142-P144 WeakPolarHBondContact O-CD 3.47Å; K142-M206 HydrophobicContact CB-CE 4.49Å | ||
| 143 | V | 72.4 | Confident | 71.8 | Confident | 36 Ų | 36 | 80.5 Ų | 80.5 | 22% | 0.218 | 46% | 0.459 | C | S | . | . | trans | -57.6 | 122.8 | -173.4 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | V137 L141 K145 V147 Y199 H202 | V137-V143 HydrophobicContact CG1-CG2 3.79Å; L141-V143 HydrophobicContact CB-CG2 3.86Å; L141-V143 PolarHBondContact O-N 3.18Å; L141-V143 VanDerWaalsContact O-N 3.1Å; V143-K145 PolarHBondContact O-N 2.87Å; V143-V147 HydrophobicContact CG1-CB 3.73Å; V143-V147 HydrophobicContact CG1-CG1 4.12Å; V143-V147 HydrophobicContact CG1-CG2 4.3Å; V143-Y199 HydrophobicContact CG2-CE2 4.16Å; V143-H202 WeakPolarHBondContact CA-NE2 3.1Å | ||
| 144 | P | 71.2 | Confident | 73.2 | Confident | 65 Ų | 65 | 81.2 Ų | 81.2 | 42% | 0.422 | 46% | 0.456 | S | S | . | . | trans | -58.6 | 134.5 | 175.2 | -26.6 | 34.4 | 0 | 0 | 0 | 112.2 | K142 G146 V147 H202 | K142-P144 WeakPolarHBondContact O-CD 3.47Å; P144-G146 PolarHBondContact O-N 3.2Å; P144-G146 VanDerWaalsContact O-N 3.1Å; P144-V147 HydrophobicContact CB-CG2 4.23Å; P144-V147 WeakPolarHBondContact O-CG2 3.41Å; P144-V147 PolarHBondContact O-N 2.95Å; P144-V147 VanDerWaalsContact O-N 3.13Å; P144-H202 VanDerWaalsContact CD-NE2 3.28Å; P144-H202 WeakPolarHBondContact CD-NE2 3.21Å | ||
| 145 | K | 57.8 | Low | 74.5 | Confident | 221 Ų | 221 | 79.6 Ų | 79.6 | 96% | 0.961 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 114.9 | 177.3 | -62.2 | -177.2 | 179.9 | -176.5 | 0 | 109.4 | V143 | V143-K145 PolarHBondContact O-N 2.87Š|
| 146 | G | 72.8 | Confident | 75.6 | Confident | 80 Ų | 80 | 78.8 Ų | 78.8 | 83% | 0.825 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.5 | -11.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | P144 | P144-G146 PolarHBondContact O-N 3.2Å; P144-G146 VanDerWaalsContact O-N 3.1Å |
| 147 | V | 79.4 | Confident | 76.7 | Confident | 26 Ų | 26 | 76.7 Ų | 76.7 | 16% | 0.158 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 129.9 | 170.9 | -179.8 | 0 | 0 | 0 | 0 | 110 | V143 P144 V149 V198 Y199 | V143-V147 HydrophobicContact CG1-CB 3.73Å; V143-V147 HydrophobicContact CG1-CG1 4.12Å; V143-V147 HydrophobicContact CG1-CG2 4.3Å; P144-V147 HydrophobicContact CB-CG2 4.23Å; P144-V147 WeakPolarHBondContact O-CG2 3.41Å; P144-V147 PolarHBondContact O-N 2.95Å; P144-V147 VanDerWaalsContact O-N 3.13Å; V147-V149 PolarHBondContact O-N 2.94Å; V147-V198 HydrophobicContact CB-CG1 4.5Å; V147-V198 HydrophobicContact CG1-CB 4.28Å; V147-V198 HydrophobicContact CG1-CG1 4.09Å; V147-V198 HydrophobicContact CG2-CG1 3.87Å; V147-Y199 HydrophobicContact CG1-CD2 4.21Å; V147-Y199 HydrophobicContact CG1-CG 4.5Å |
| 148 | V | 81.3 | Confident | 77.9 | Confident | 66 Ų | 66 | 76.7 Ų | 76.7 | 40% | 0.4 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 127.9 | 176 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | Q195 L196 Y199 | V148-Q195 HydrophobicContact CB-CB 4.24Å; V148-Q195 HydrophobicContact CG1-CB 4.38Å; V148-Q195 HydrophobicContact CG2-CB 4.18Å; V148-L196 HydrophobicContact CB-CD2 4.37Å; V148-L196 HydrophobicContact CG1-CD2 3.97Å; V148-L196 WeakPolarHBondContact O-CD2 3.47Å; V148-Y199 WeakPolarHBondContact O-CB 3.45Å |
| 149 | V | 84.1 | Confident | 79.2 | Confident | 51 Ų | 51 | 74.5 Ų | 74.5 | 31% | 0.309 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -87.8 | 144.5 | -178.5 | 172.6 | 0 | 0 | 0 | 0 | 110 | F135 V137 V147 | F135-V149 HydrophobicContact CD1-CG1 3.6Å; F135-V149 HydrophobicContact CE1-CG1 3.94Å; V137-V149 HydrophobicContact CG2-CB 4.3Å; V137-V149 HydrophobicContact CG2-CG1 3.48Å; V137-V149 VanDerWaalsContact CG2-CG1 3.48Å; V137-V149 HydrophobicContact CG2-CG2 3.73Å; V147-V149 PolarHBondContact O-N 2.94Å |
| 150 | P | 85.6 | Confident | 80.9 | Confident | 3 Ų | 3 | 69.3 Ų | 69.3 | 2% | 0.019 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 144.1 | 172.6 | -25.3 | 34.6 | 0 | 0 | 0 | 112.1 | F135 Q155 H156 I159 L196 Y199 | F135-P150 HydrophobicContact CD1-CB 4.07Å; F135-P150 HydrophobicContact CD1-CG 4.25Å; F135-P150 HydrophobicContact CE1-CG 4.26Å; P150-Q155 HydrophobicContact CB-CB 4.24Å; P150-Q155 HydrophobicContact CB-CG 4.2Å; P150-H156 HydrophobicContact CB-CB 4.36Å; P150-H156 HydrophobicContact CG-CB 4.35Å; P150-I159 HydrophobicContact CB-CD1 4.48Å; P150-I159 HydrophobicContact CG-CD1 3.85Å; P150-L196 HydrophobicContact CB-CD1 4.36Å; P150-L196 HydrophobicContact CG-CD2 4.41Å; P150-Y199 HydrophobicContact CG-CD1 3.63Å; P150-Y199 HydrophobicContact CG-CE1 3.41Å; P150-Y199 VanDerWaalsContact CG-CE1 3.41Å; P150-Y199 HydrophobicContact CG-CG 4.31Å |
| 151 | K | 80.8 | Confident | 82.1 | Confident | 171 Ų | 171 | 70.3 Ų | 70.3 | 74% | 0.743 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -74.8 | -46.2 | -176.7 | -68.3 | -174.5 | 178 | -174.2 | 0 | 112.4 | F135 Q155 | F135-K151 PolarHBondContact N-O 3.48Å; K151-Q155 VanDerWaalsContact N-OE1 3.14Å |
| 152 | N | 85.3 | Confident | 83.4 | Confident | 80 Ų | 80 | 70.9 Ų | 70.9 | 43% | 0.428 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -114 | 144.3 | -170.8 | -52.8 | 62.1 | 0 | 0 | 0 | 110.4 | K154 Q155 H156 | N152-K154 PolarHBondContact O-N 3.3Å; N152-Q155 WeakPolarHBondContact O-CB 3.34Å; N152-Q155 PolarHBondContact O-N 2.86Å; N152-H156 PolarHBondContact O-N 2.98Å |
| 153 | S | 84.9 | Confident | 84.6 | Confident | 35 Ų | 35 | 62.7 Ų | 62.7 | 25% | 0.245 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -51.7 | -41.5 | 175.3 | 179.6 | 0 | 0 | 0 | 0 | 112.9 | D133 Q155 H156 K157 | D133-S153 PolarHBondContact O-N 2.88Å; D133-S153 VanDerWaalsContact O-N 3.16Å; S153-Q155 VanDerWaalsContact C-N 3.28Å; S153-Q155 PolarHBondContact O-N 3.44Å; S153-H156 PolarHBondContact O-N 2.8Å; S153-H156 VanDerWaalsContact O-N 3.15Å; S153-K157 PolarHBondContact O-N 3.04Å |
| 154 | K | 87.2 | Confident | 85.6 | Confident | 140 Ų | 140 | 62.3 Ų | 62.3 | 61% | 0.609 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -53.7 | -40.1 | 174 | -63.4 | 174.3 | -174.9 | 166.6 | 0 | 112.5 | C130 N152 I158 | C130-K154 PolarHBondContact O-NZ 3.05Å; N152-K154 PolarHBondContact O-N 3.3Å; K154-I158 WeakPolarHBondContact O-CG1 3.47Å; K154-I158 PolarHBondContact O-N 3.22Å |
| 155 | Q | 90.3 | Very high | 86.8 | Confident | 45 Ų | 45 | 63.4 Ų | 63.4 | 21% | 0.21 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -72.4 | -36.7 | -179.9 | -170.6 | 176.2 | 52.3 | 0 | 0 | 112.3 | P150 K151 N152 S153 I159 L196 | P150-Q155 HydrophobicContact CB-CB 4.24Å; P150-Q155 HydrophobicContact CB-CG 4.2Å; K151-Q155 VanDerWaalsContact N-OE1 3.14Å; N152-Q155 WeakPolarHBondContact O-CB 3.34Å; N152-Q155 PolarHBondContact O-N 2.86Å; S153-Q155 VanDerWaalsContact C-N 3.28Å; S153-Q155 PolarHBondContact O-N 3.44Å; Q155-I159 HydrophobicContact CG-CD1 4.25Å; Q155-I159 WeakPolarHBondContact O-CG1 3.33Å; Q155-I159 PolarHBondContact O-N 3.45Å; Q155-I159 VanDerWaalsContact O-N 3.16Å; Q155-L196 HydrophobicContact CG-CD1 4.11Å; Q155-L196 VanDerWaalsContact OE1-CD1 3.32Å |
| 156 | H | 90.8 | Very high | 88.5 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.046 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.3 | -48.6 | 171.8 | 172 | 63.7 | 0 | 0 | 0 | 111.6 | F135 P150 N152 S153 I158 I159 E160 Y199 | F135-H156 HydrophobicContact CD1-CB 4.09Å; F135-H156 HydrophobicContact CD2-CB 3.83Å; F135-H156 HydrophobicContact CE1-CB 3.87Å; F135-H156 AromaticContact CE1-CG 3.81Å; F135-H156 AromaticContact CE1-ND1 3.9Å; F135-H156 HydrophobicContact CE2-CB 3.6Å; F135-H156 AromaticContact CE2-CD2 3.23Å; F135-H156 WeakPolarHBondContact CE2-CD2 3.41Å; F135-H156 AromaticContact CE2-CG 3.33Å; F135-H156 AromaticContact CE2-NE2 3.86Å; F135-H156 HydrophobicContact CG-CB 4.07Å; F135-H156 HydrophobicContact CZ-CB 3.62Å; F135-H156 AromaticContact CZ-CD2 3.41Å; F135-H156 VanDerWaalsContact CZ-CD2 3.41Å; F135-H156 WeakPolarHBondContact CZ-CD2 3.38Å; F135-H156 AromaticContact CZ-CE1 3.7Å; F135-H156 AromaticContact CZ-CG 3.16Å; F135-H156 AromaticContact CZ-ND1 3.37Å; F135-H156 WeakPolarHBondContact CZ-ND1 3.35Å; F135-H156 AromaticContact CZ-NE2 3.72Å; P150-H156 HydrophobicContact CB-CB 4.36Å; P150-H156 HydrophobicContact CG-CB 4.35Å; N152-H156 PolarHBondContact O-N 2.98Å; S153-H156 PolarHBondContact O-N 2.8Å; S153-H156 VanDerWaalsContact O-N 3.15Å; H156-I158 PolarHBondContact O-N 3.43Å; H156-I159 PolarHBondContact O-N 3.26Å; H156-E160 WeakPolarHBondContact O-CB 3.41Å; H156-E160 PolarHBondContact O-N 3.13Å; H156-Y199 PolarHBondContact CE1-OH 3.37Å; H156-Y199 VanDerWaalsContact CE1-OH 3.24Å; H156-Y199 AromaticContact ND1-CE1 3.92Å; H156-Y199 AromaticContact ND1-CZ 3.86Å; H156-Y199 PolarHBondContact ND1-OH 3.39Å |
| 157 | K | 91.8 | Very high | 89.5 | Confident | 85 Ų | 85 | 50.5 Ų | 50.5 | 37% | 0.37 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.1 | -35.4 | 179.1 | -70 | -164 | 176.7 | -158.5 | 0 | 112.6 | S153 K161 E217 | S153-K157 PolarHBondContact O-N 3.04Å; K157-K161 WeakPolarHBondContact O-CB 3.44Å; K157-K161 WeakPolarHBondContact O-CG 3.26Å; K157-K161 PolarHBondContact O-N 3Å; K157-E217 IonicContact NZ-OE1 3.01Å; K157-E217 PolarHBondContact NZ-OE1 3.45Å |
| 158 | I | 92.4 | Very high | 90.2 | Very high | 47 Ų | 47 | 54 Ų | 54 | 24% | 0.241 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.8 | -45.8 | 175 | -63.9 | 167.3 | 0 | 0 | 0 | 111.3 | K154 H156 E160 T162 F186 F187 F189 | K154-I158 WeakPolarHBondContact O-CG1 3.47Å; K154-I158 PolarHBondContact O-N 3.22Å; H156-I158 PolarHBondContact O-N 3.43Å; I158-E160 VanDerWaalsContact C-N 3.34Å; I158-E160 PolarHBondContact O-N 3.5Å; I158-T162 VanDerWaalsContact O-CB 3.25Å; I158-T162 WeakPolarHBondContact O-CB 3.23Å; I158-T162 PolarHBondContact O-N 3.24Å; I158-T162 PolarHBondContact O-OG1 2.95Å; I158-F186 HydrophobicContact CD1-CB 4Å; I158-F186 HydrophobicContact CD1-CD1 3.8Å; I158-F186 HydrophobicContact CD1-CG 4.02Å; I158-F187 HydrophobicContact CG2-CE1 4.45Å; I158-F187 HydrophobicContact CG2-CZ 4.37Å; I158-F189 HydrophobicContact CG2-CE1 3.96Å; I158-F189 HydrophobicContact CG2-CZ 4.31Å |
| 159 | I | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 176.9 | -71.9 | 165.9 | 0 | 0 | 0 | 111 | P150 Q155 H156 A163 F189 L196 Y199 Y200 | P150-I159 HydrophobicContact CB-CD1 4.48Å; P150-I159 HydrophobicContact CG-CD1 3.85Å; Q155-I159 HydrophobicContact CG-CD1 4.25Å; Q155-I159 WeakPolarHBondContact O-CG1 3.33Å; Q155-I159 PolarHBondContact O-N 3.45Å; Q155-I159 VanDerWaalsContact O-N 3.16Å; H156-I159 PolarHBondContact O-N 3.26Å; I159-A163 WeakPolarHBondContact O-CB 3.2Å; I159-A163 PolarHBondContact O-N 3.36Å; I159-F189 HydrophobicContact CD1-CB 4.4Å; I159-F189 HydrophobicContact CD1-CD1 4.12Å; I159-F189 HydrophobicContact CD1-CG 4.21Å; I159-F189 HydrophobicContact CG1-CB 4.4Å; I159-F189 HydrophobicContact CG1-CD1 3.48Å; I159-F189 VanDerWaalsContact CG1-CD1 3.48Å; I159-F189 HydrophobicContact CG1-CD2 4.01Å; I159-F189 HydrophobicContact CG1-CE1 3.61Å; I159-F189 HydrophobicContact CG1-CE2 4.12Å; I159-F189 HydrophobicContact CG1-CG 3.7Å; I159-F189 HydrophobicContact CG1-CZ 3.94Å; I159-L196 HydrophobicContact CD1-CB 4.39Å; I159-L196 HydrophobicContact CD1-CD1 4.12Å; I159-Y199 HydrophobicContact CD1-CD1 4.17Å; I159-Y199 HydrophobicContact CD1-CE1 4.47Å; I159-Y199 HydrophobicContact CG2-CD1 4Å; I159-Y199 HydrophobicContact CG2-CE1 3.99Å; I159-Y200 HydrophobicContact CG2-CD2 4.25Å |
| 160 | E | 92.9 | Very high | 91.1 | Very high | 11 Ų | 11 | 55 Ų | 55 | 5% | 0.051 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63 | -53.1 | 178.3 | 177.9 | -179.8 | -134.9 | 0 | 0 | 112.1 | H156 I158 T162 A163 S164 Y212 P214 S215 | H156-E160 WeakPolarHBondContact O-CB 3.41Å; H156-E160 PolarHBondContact O-N 3.13Å; I158-E160 VanDerWaalsContact C-N 3.34Å; I158-E160 PolarHBondContact O-N 3.5Å; E160-T162 VanDerWaalsContact C-N 3.3Å; E160-T162 PolarHBondContact O-N 3.22Å; E160-A163 PolarHBondContact O-N 2.98Å; E160-S164 WeakPolarHBondContact O-CB 3.42Å; E160-S164 PolarHBondContact O-N 3.05Å; E160-Y212 HydrophobicContact CG-CE1 4.31Å; E160-Y212 PolarHBondContact OE1-OH 2.92Å; E160-P214 HydrophobicContact CG-CB 3.74Å; E160-P214 VanDerWaalsContact OE1-CA 3.28Å; E160-P214 WeakPolarHBondContact OE1-CA 3.43Å; E160-S215 PolarHBondContact OE1-N 3.5Å |
| 161 | K | 93.6 | Very high | 91.3 | Very high | 134 Ų | 134 | 58.6 Ų | 58.6 | 58% | 0.583 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -58.3 | -43.7 | 177.2 | -74.4 | -179.9 | 177.7 | -174 | 0 | 111.4 | K157 S164 F165 | K157-K161 WeakPolarHBondContact O-CB 3.44Å; K157-K161 WeakPolarHBondContact O-CG 3.26Å; K157-K161 PolarHBondContact O-N 3Å; K161-S164 PolarHBondContact O-N 3.34Å; K161-F165 WeakPolarHBondContact O-CB 3.42Å; K161-F165 PolarHBondContact O-N 3.18Å |
| 162 | T | 94.6 | Very high | 91.8 | Very high | 11 Ų | 11 | 57.6 Ų | 57.6 | 7% | 0.067 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 178.7 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | I158 E160 F165 I166 V177 F187 F189 L190 | I158-T162 VanDerWaalsContact O-CB 3.25Å; I158-T162 WeakPolarHBondContact O-CB 3.23Å; I158-T162 PolarHBondContact O-N 3.24Å; I158-T162 PolarHBondContact O-OG1 2.95Å; E160-T162 VanDerWaalsContact C-N 3.3Å; E160-T162 PolarHBondContact O-N 3.22Å; T162-F165 PolarHBondContact O-N 3.27Å; T162-I166 HydrophobicContact CG2-CD1 3.72Å; T162-I166 WeakPolarHBondContact O-CB 3.42Å; T162-I166 WeakPolarHBondContact O-CG1 3.46Å; T162-I166 PolarHBondContact O-N 2.95Å; T162-V177 HydrophobicContact CG2-CG1 4.48Å; T162-F187 HydrophobicContact CG2-CE1 4.26Å; T162-F189 HydrophobicContact CG2-CE2 3.93Å; T162-F189 HydrophobicContact CG2-CZ 3.91Å; T162-L190 HydrophobicContact CG2-CD2 4.38Å |
| 163 | A | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.6 | -37.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | I159 E160 A167 Y200 V203 L204 I207 | I159-A163 WeakPolarHBondContact O-CB 3.2Å; I159-A163 PolarHBondContact O-N 3.36Å; E160-A163 PolarHBondContact O-N 2.98Å; A163-A167 VanDerWaalsContact O-CB 3.27Å; A163-A167 WeakPolarHBondContact O-CB 3.27Å; A163-A167 PolarHBondContact O-N 3.24Å; A163-Y200 HydrophobicContact CB-CD2 4.17Å; A163-Y200 HydrophobicContact CB-CE2 4.1Å; A163-V203 HydrophobicContact CB-CB 4.42Å; A163-V203 HydrophobicContact CB-CG1 3.85Å; A163-L204 HydrophobicContact CB-CB 4.17Å; A163-L204 HydrophobicContact CB-CD1 4.4Å; A163-L204 WeakPolarHBondContact O-CD1 3.33Å; A163-I207 HydrophobicContact CB-CD1 3.91Å |
| 164 | S | 93.7 | Very high | 92.7 | Very high | 27 Ų | 27 | 55.6 Ų | 55.6 | 19% | 0.189 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.3 | -47.2 | 173.8 | -170.8 | 0 | 0 | 0 | 0 | 111.4 | E160 K161 I166 A167 T168 | E160-S164 WeakPolarHBondContact O-CB 3.42Å; E160-S164 PolarHBondContact O-N 3.05Å; K161-S164 PolarHBondContact O-N 3.34Å; S164-I166 PolarHBondContact O-N 2.72Å; S164-A167 WeakPolarHBondContact O-CB 3.42Å; S164-A167 PolarHBondContact O-N 3.11Å; S164-A167 VanDerWaalsContact O-N 3.15Å; S164-T168 PolarHBondContact O-N 3.32Å; S164-T168 PolarHBondContact O-OG1 3.15Å |
| 165 | F | 94.7 | Very high | 92.9 | Very high | 88 Ų | 88 | 54 Ų | 54 | 39% | 0.386 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 177.9 | -175.2 | -111.3 | 0 | 0 | 0 | 112.8 | K161 T162 A167 T168 H169 M173 V177 | K161-F165 WeakPolarHBondContact O-CB 3.42Å; K161-F165 PolarHBondContact O-N 3.18Å; T162-F165 PolarHBondContact O-N 3.27Å; F165-A167 VanDerWaalsContact C-N 3.31Å; F165-A167 PolarHBondContact O-N 3.04Å; F165-T168 PolarHBondContact O-N 2.99Å; F165-T168 PolarHBondContact O-OG1 2.69Å; F165-H169 AromaticContact CD2-CD2 3.35Å; F165-H169 WeakPolarHBondContact CD2-CD2 3.44Å; F165-H169 AromaticContact CD2-NE2 3.64Å; F165-H169 AromaticContact CE2-CD2 3.31Å; F165-H169 WeakPolarHBondContact CE2-CD2 3.21Å; F165-H169 AromaticContact CE2-NE2 3.41Å; F165-H169 WeakPolarHBondContact CE2-NE2 3.15Å; F165-H169 AromaticContact CG-CD2 3.96Å; F165-H169 AromaticContact CZ-CD2 3.9Å; F165-H169 PolarHBondContact O-CD2 3.36Å; F165-H169 VanDerWaalsContact O-CD2 3.24Å; F165-H169 PolarHBondContact O-N 3.37Å; F165-M173 HydrophobicContact CD1-CG 3.73Å; F165-M173 HydrophobicContact CD1-SD 4.48Å; F165-M173 HydrophobicContact CE1-CE 4.06Å; F165-M173 HydrophobicContact CE1-CG 3.32Å; F165-M173 HydrophobicContact CE1-SD 3.51Å; F165-M173 VanDerWaalsContact CE1-SD 3.51Å; F165-M173 HydrophobicContact CZ-CE 3.87Å; F165-M173 HydrophobicContact CZ-CG 4.08Å; F165-M173 HydrophobicContact CZ-SD 3.9Å; F165-V177 HydrophobicContact CD1-CG2 4.34Å; F165-V177 HydrophobicContact CE1-CG2 4.08Å |
| 166 | I | 95 | Very high | 93 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -76.6 | -19.4 | 176.1 | -66.9 | 168 | 0 | 0 | 0 | 111.9 | T162 S164 G170 M173 E174 L190 Y200 L204 | T162-I166 HydrophobicContact CG2-CD1 3.72Å; T162-I166 WeakPolarHBondContact O-CB 3.42Å; T162-I166 WeakPolarHBondContact O-CG1 3.46Å; T162-I166 PolarHBondContact O-N 2.95Å; S164-I166 PolarHBondContact O-N 2.72Å; I166-G170 WeakPolarHBondContact O-CA 3.33Å; I166-G170 PolarHBondContact O-N 3.4Å; I166-M173 HydrophobicContact CG1-CG 4.47Å; I166-E174 HydrophobicContact CD1-CB 4.03Å; I166-E174 HydrophobicContact CD1-CG 4.27Å; I166-E174 HydrophobicContact CG1-CB 4.41Å; I166-E174 HydrophobicContact CG2-CB 3.8Å; I166-L190 HydrophobicContact CD1-CD2 4.4Å; I166-Y200 HydrophobicContact CD1-CE2 4.41Å; I166-Y200 VanDerWaalsContact CD1-OH 3.23Å; I166-Y200 WeakPolarHBondContact CD1-OH 3.39Å; I166-L204 HydrophobicContact CB-CD1 4.05Å; I166-L204 HydrophobicContact CG2-CD1 3.85Å; I166-L204 HydrophobicContact CG2-CD2 4.07Å |
| 167 | A | 93.6 | Very high | 93.2 | Very high | 30 Ų | 30 | 55.9 Ų | 55.9 | 25% | 0.248 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -74.6 | -35.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A163 S164 F165 L204 I207 K208 | A163-A167 VanDerWaalsContact O-CB 3.27Å; A163-A167 WeakPolarHBondContact O-CB 3.27Å; A163-A167 PolarHBondContact O-N 3.24Å; S164-A167 WeakPolarHBondContact O-CB 3.42Å; S164-A167 PolarHBondContact O-N 3.11Å; S164-A167 VanDerWaalsContact O-N 3.15Å; F165-A167 VanDerWaalsContact C-N 3.31Å; F165-A167 PolarHBondContact O-N 3.04Å; A167-L204 HydrophobicContact CB-CD1 4.19Å; A167-I207 HydrophobicContact CB-CB 4.31Å; A167-I207 HydrophobicContact CB-CG2 3.57Å; A167-K208 HydrophobicContact CB-CG 3.99Å |
| 168 | T | 93.9 | Very high | 93.2 | Very high | 101 Ų | 101 | 53.9 Ų | 53.9 | 62% | 0.62 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -80.1 | -42.9 | 176.8 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | S164 F165 | S164-T168 PolarHBondContact O-N 3.32Å; S164-T168 PolarHBondContact O-OG1 3.15Å; F165-T168 PolarHBondContact O-N 2.99Å; F165-T168 PolarHBondContact O-OG1 2.69Å |
| 169 | H | 92.8 | Very high | 93.3 | Very high | 111 Ų | 111 | 57.5 Ų | 57.5 | 51% | 0.514 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -95.3 | -4.6 | -175.1 | -61.5 | -74 | 0 | 0 | 0 | 114.8 | F165 M173 | F165-H169 AromaticContact CD2-CD2 3.35Å; F165-H169 WeakPolarHBondContact CD2-CD2 3.44Å; F165-H169 AromaticContact CD2-NE2 3.64Å; F165-H169 AromaticContact CE2-CD2 3.31Å; F165-H169 WeakPolarHBondContact CE2-CD2 3.21Å; F165-H169 AromaticContact CE2-NE2 3.41Å; F165-H169 WeakPolarHBondContact CE2-NE2 3.15Å; F165-H169 AromaticContact CG-CD2 3.96Å; F165-H169 AromaticContact CZ-CD2 3.9Å; F165-H169 PolarHBondContact O-CD2 3.36Å; F165-H169 VanDerWaalsContact O-CD2 3.24Å; F165-H169 PolarHBondContact O-N 3.37Å; H169-M173 HydrophobicContact CB-CB 3.72Å; H169-M173 HydrophobicContact CB-CE 3.78Å; H169-M173 HydrophobicContact CB-CG 3.92Å |
| 170 | G | 90.7 | Very high | 93.3 | Very high | 27 Ų | 27 | 65.5 Ų | 65.5 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | trans | 81.9 | -178.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I166 Q172 M173 | I166-G170 WeakPolarHBondContact O-CA 3.33Å; I166-G170 PolarHBondContact O-N 3.4Å; G170-Q172 VanDerWaalsContact C-N 3.32Å; G170-Q172 PolarHBondContact O-N 3.3Å; G170-M173 WeakPolarHBondContact O-CB 3.3Å; G170-M173 PolarHBondContact O-N 2.68Å; G170-M173 VanDerWaalsContact O-N 3.13Å | ||
| 171 | S | 90.6 | Very high | 93.3 | Very high | 77 Ų | 77 | 68.3 Ų | 68.3 | 54% | 0.538 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.5 | -21.1 | -171.9 | 46 | 0 | 0 | 0 | 0 | 114.8 | M173 E174 I175 | S171-M173 VanDerWaalsContact C-N 3.26Å; S171-M173 PolarHBondContact O-N 3.22Å; S171-E174 WeakPolarHBondContact O-CB 3.46Å; S171-E174 PolarHBondContact O-N 2.93Å; S171-I175 PolarHBondContact O-N 2.97Å |
| 172 | Q | 91.5 | Very high | 93.2 | Very high | 151 Ų | 151 | 69.3 Ų | 69.3 | 71% | 0.706 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.5 | -35.8 | 170.8 | -70.3 | -178.5 | -10.4 | 0 | 0 | 111.2 | G170 E174 I175 I176 | G170-Q172 VanDerWaalsContact C-N 3.32Å; G170-Q172 PolarHBondContact O-N 3.3Å; Q172-E174 VanDerWaalsContact C-N 3.3Å; Q172-E174 PolarHBondContact O-N 3.35Å; Q172-I175 PolarHBondContact O-N 3.09Å; Q172-I176 WeakPolarHBondContact O-CG1 3.31Å; Q172-I176 PolarHBondContact O-N 2.93Å |
| 173 | M | 94.2 | Very high | 92.9 | Very high | 41 Ų | 41 | 72.6 Ų | 72.6 | 20% | 0.202 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.1 | -31.6 | 176.7 | -166.5 | 60.2 | 77.3 | 0 | 0 | 112.2 | F165 I166 H169 G170 S171 I175 I176 V177 | F165-M173 HydrophobicContact CD1-CG 3.73Å; F165-M173 HydrophobicContact CD1-SD 4.48Å; F165-M173 HydrophobicContact CE1-CE 4.06Å; F165-M173 HydrophobicContact CE1-CG 3.32Å; F165-M173 HydrophobicContact CE1-SD 3.51Å; F165-M173 VanDerWaalsContact CE1-SD 3.51Å; F165-M173 HydrophobicContact CZ-CE 3.87Å; F165-M173 HydrophobicContact CZ-CG 4.08Å; F165-M173 HydrophobicContact CZ-SD 3.9Å; I166-M173 HydrophobicContact CG1-CG 4.47Å; H169-M173 HydrophobicContact CB-CB 3.72Å; H169-M173 HydrophobicContact CB-CE 3.78Å; H169-M173 HydrophobicContact CB-CG 3.92Å; G170-M173 WeakPolarHBondContact O-CB 3.3Å; G170-M173 PolarHBondContact O-N 2.68Å; G170-M173 VanDerWaalsContact O-N 3.13Å; S171-M173 VanDerWaalsContact C-N 3.26Å; S171-M173 PolarHBondContact O-N 3.22Å; M173-I175 VanDerWaalsContact C-N 3.32Å; M173-I175 PolarHBondContact O-N 3.04Å; M173-I176 PolarHBondContact O-N 3.01Å; M173-I176 HydrophobicContact SD-CB 4.29Å; M173-I176 HydrophobicContact SD-CD1 4.49Å; M173-I176 HydrophobicContact SD-CG2 4.32Å; M173-V177 HydrophobicContact CG-CG2 4.13Å; M173-V177 WeakPolarHBondContact O-CB 3.47Å; M173-V177 VanDerWaalsContact O-CG2 3.29Å; M173-V177 WeakPolarHBondContact O-CG2 3.28Å; M173-V177 PolarHBondContact O-N 3.04Å; M173-V177 HydrophobicContact SD-CG2 4.28Å |
| 174 | E | 93.9 | Very high | 92.8 | Very high | 31 Ų | 31 | 74.7 Ų | 74.7 | 15% | 0.145 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 172.7 | -176.2 | 164.1 | -136.9 | 0 | 0 | 112 | I166 S171 Q172 N178 Y200 K201 | I166-E174 HydrophobicContact CD1-CB 4.03Å; I166-E174 HydrophobicContact CD1-CG 4.27Å; I166-E174 HydrophobicContact CG1-CB 4.41Å; I166-E174 HydrophobicContact CG2-CB 3.8Å; S171-E174 WeakPolarHBondContact O-CB 3.46Å; S171-E174 PolarHBondContact O-N 2.93Å; Q172-E174 VanDerWaalsContact C-N 3.3Å; Q172-E174 PolarHBondContact O-N 3.35Å; E174-N178 VanDerWaalsContact O-CB 3.26Å; E174-N178 WeakPolarHBondContact O-CB 3.25Å; E174-N178 PolarHBondContact O-N 2.67Å; E174-Y200 VanDerWaalsContact CD-OH 3.3Å; E174-Y200 WeakPolarHBondContact OE1-CE1 3.37Å; E174-Y200 VanDerWaalsContact OE1-CZ 3.27Å; E174-Y200 PolarHBondContact OE1-OH 2.95Å; E174-K201 WeakPolarHBondContact OE1-CE 3.44Å; E174-K201 IonicContact OE1-NZ 3.82Å; E174-K201 PolarHBondContact OE1-NZ 2.83Å; E174-K201 IonicContact OE2-NZ 3.9Å; E174-K201 PolarHBondContact OE2-NZ 3.42Å |
| 175 | I | 91.7 | Very high | 92.6 | Very high | 106 Ų | 106 | 77.6 Ų | 77.6 | 54% | 0.544 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 176.8 | -59.1 | 169.8 | 0 | 0 | 0 | 110.2 | S171 Q172 M173 N178 I179 | S171-I175 PolarHBondContact O-N 2.97Å; Q172-I175 PolarHBondContact O-N 3.09Å; M173-I175 VanDerWaalsContact C-N 3.32Å; M173-I175 PolarHBondContact O-N 3.04Å; I175-N178 PolarHBondContact O-N 3.2Å; I175-I179 HydrophobicContact CG2-CD1 3.74Å; I175-I179 HydrophobicContact CG2-CG1 4.46Å; I175-I179 WeakPolarHBondContact O-CB 3.47Å; I175-I179 VanDerWaalsContact O-CG1 3.3Å; I175-I179 WeakPolarHBondContact O-CG1 3.45Å; I175-I179 PolarHBondContact O-N 3.11Å |
| 176 | I | 93.2 | Very high | 92.4 | Very high | 75 Ų | 75 | 79 Ų | 79 | 39% | 0.385 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | -179.6 | -66.5 | 164.1 | 0 | 0 | 0 | 111.6 | Q172 M173 I179 K180 | Q172-I176 WeakPolarHBondContact O-CG1 3.31Å; Q172-I176 PolarHBondContact O-N 2.93Å; M173-I176 PolarHBondContact O-N 3.01Å; M173-I176 HydrophobicContact SD-CB 4.29Å; M173-I176 HydrophobicContact SD-CD1 4.49Å; M173-I176 HydrophobicContact SD-CG2 4.32Å; I176-I179 PolarHBondContact O-N 3.18Å; I176-K180 HydrophobicContact CG2-CD 4.11Å; I176-K180 HydrophobicContact CG2-CG 4.48Å; I176-K180 WeakPolarHBondContact O-CB 3.32Å; I176-K180 WeakPolarHBondContact O-CG 3.38Å; I176-K180 PolarHBondContact O-N 2.98Å |
| 177 | V | 93.5 | Very high | 92.3 | Very high | 20 Ų | 20 | 81 Ų | 81 | 12% | 0.121 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 178.3 | 178 | 0 | 0 | 0 | 0 | 110.4 | T162 F165 M173 I179 K180 Q181 F187 L190 | T162-V177 HydrophobicContact CG2-CG1 4.48Å; F165-V177 HydrophobicContact CD1-CG2 4.34Å; F165-V177 HydrophobicContact CE1-CG2 4.08Å; M173-V177 HydrophobicContact CG-CG2 4.13Å; M173-V177 WeakPolarHBondContact O-CB 3.47Å; M173-V177 VanDerWaalsContact O-CG2 3.29Å; M173-V177 WeakPolarHBondContact O-CG2 3.28Å; M173-V177 PolarHBondContact O-N 3.04Å; M173-V177 HydrophobicContact SD-CG2 4.28Å; V177-I179 PolarHBondContact O-N 3.38Å; V177-K180 PolarHBondContact O-N 2.94Å; V177-Q181 HydrophobicContact CG1-CG 4.31Å; V177-Q181 WeakPolarHBondContact O-CB 3.37Å; V177-Q181 PolarHBondContact O-N 3.25Å; V177-F187 HydrophobicContact CG1-CD1 3.99Å; V177-F187 HydrophobicContact CG1-CE1 3.96Å; V177-L190 HydrophobicContact CB-CD1 4.26Å; V177-L190 HydrophobicContact CG1-CD1 3.68Å |
| 178 | N | 93 | Very high | 92.2 | Very high | 43 Ų | 43 | 86.1 Ų | 86.1 | 23% | 0.23 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62 | -43.8 | 178 | -167 | 15.3 | 0 | 0 | 0 | 112 | E174 I175 K182 L190 | E174-N178 VanDerWaalsContact O-CB 3.26Å; E174-N178 WeakPolarHBondContact O-CB 3.25Å; E174-N178 PolarHBondContact O-N 2.67Å; I175-N178 PolarHBondContact O-N 3.2Å; N178-K182 WeakPolarHBondContact O-CB 3.48Å; N178-K182 PolarHBondContact O-N 2.96Å; N178-K182 VanDerWaalsContact O-N 3.13Å; N178-L190 HydrophobicContact CB-CB 4.22Å; N178-L190 HydrophobicContact CB-CD1 4.13Å |
| 179 | I | 93.8 | Very high | 92.2 | Very high | 124 Ų | 124 | 81.3 Ų | 81.3 | 64% | 0.636 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.2 | -47.9 | 175.5 | -69.3 | 169.8 | 0 | 0 | 0 | 111.1 | I175 I176 V177 | I175-I179 HydrophobicContact CG2-CD1 3.74Å; I175-I179 HydrophobicContact CG2-CG1 4.46Å; I175-I179 WeakPolarHBondContact O-CB 3.47Å; I175-I179 VanDerWaalsContact O-CG1 3.3Å; I175-I179 WeakPolarHBondContact O-CG1 3.45Å; I175-I179 PolarHBondContact O-N 3.11Å; I176-I179 PolarHBondContact O-N 3.18Å; V177-I179 PolarHBondContact O-N 3.38Å |
| 180 | K | 94.3 | Very high | 92.2 | Very high | 167 Ų | 167 | 76.2 Ų | 76.2 | 73% | 0.726 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -69.3 | -31.9 | -177.1 | -74.9 | -172.2 | 174.5 | -167.7 | 0 | 114 | I176 V177 | I176-K180 HydrophobicContact CG2-CD 4.11Å; I176-K180 HydrophobicContact CG2-CG 4.48Å; I176-K180 WeakPolarHBondContact O-CB 3.32Å; I176-K180 WeakPolarHBondContact O-CG 3.38Å; I176-K180 PolarHBondContact O-N 2.98Å; V177-K180 PolarHBondContact O-N 2.94Å |
| 181 | Q | 93.1 | Very high | 92.3 | Very high | 70 Ų | 70 | 77.2 Ų | 77.2 | 33% | 0.327 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -108.3 | 14.2 | -174.2 | -64.6 | -66.6 | -29.3 | 0 | 0 | 113.5 | V177 G183 N184 F187 | V177-Q181 HydrophobicContact CG1-CG 4.31Å; V177-Q181 WeakPolarHBondContact O-CB 3.37Å; V177-Q181 PolarHBondContact O-N 3.25Å; Q181-G183 PolarHBondContact O-N 3.42Å; Q181-G183 VanDerWaalsContact O-N 3.09Å; Q181-N184 HydrophobicContact CB-CB 4.34Å; Q181-N184 WeakPolarHBondContact O-CB 3.49Å; Q181-N184 PolarHBondContact O-N 2.94Å; Q181-N184 PolarHBondContact OE1-ND2 3.29Å; Q181-F187 HydrophobicContact CB-CB 3.75Å; Q181-F187 HydrophobicContact CB-CD1 4.2Å; Q181-F187 HydrophobicContact CB-CD2 3.75Å; Q181-F187 HydrophobicContact CB-CE2 4.4Å; Q181-F187 HydrophobicContact CB-CG 3.62Å; Q181-F187 HydrophobicContact CG-CD1 4.31Å; Q181-F187 HydrophobicContact CG-CD2 3.83Å; Q181-F187 HydrophobicContact CG-CE1 4.43Å; Q181-F187 HydrophobicContact CG-CE2 3.96Å; Q181-F187 HydrophobicContact CG-CG 4Å; Q181-F187 HydrophobicContact CG-CZ 4.26Å |
| 182 | K | 90.4 | Very high | 92.3 | Very high | 155 Ų | 155 | 82.6 Ų | 82.6 | 67% | 0.674 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -29.5 | -175.8 | -163.9 | 176.1 | -179.6 | -176.7 | 0 | 114.7 | N178 | N178-K182 WeakPolarHBondContact O-CB 3.48Å; N178-K182 PolarHBondContact O-N 2.96Å; N178-K182 VanDerWaalsContact O-N 3.13Å |
| 183 | G | 89.1 | Confident | 92.2 | Very high | 81 Ų | 81 | 80.8 Ų | 80.8 | 84% | 0.835 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -11.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q181 | Q181-G183 PolarHBondContact O-N 3.42Å; Q181-G183 VanDerWaalsContact O-N 3.09Å |
| 184 | N | 92 | Very high | 92.1 | Very high | 44 Ų | 44 | 81.4 Ų | 81.4 | 24% | 0.235 | 42% | 0.415 | C | S | . | . | trans | -90.2 | 120 | -168.7 | -173.3 | -26.7 | 0 | 0 | 0 | 111.5 | Q181 F186 F187 | Q181-N184 HydrophobicContact CB-CB 4.34Å; Q181-N184 WeakPolarHBondContact O-CB 3.49Å; Q181-N184 PolarHBondContact O-N 2.94Å; Q181-N184 PolarHBondContact OE1-ND2 3.29Å; N184-F186 PolarHBondContact O-N 3.02Å; N184-F186 VanDerWaalsContact O-N 3.14Å; N184-F186 WeakPolarHBondContact OD1-CB 3.41Å; N184-F186 WeakPolarHBondContact OD1-CD2 3.3Å; N184-F186 PolarHBondContact OD1-N 3.22Å; N184-F187 HydrophobicContact CB-CD2 4.03Å; N184-F187 PolarHBondContact O-N 3.35Å; N184-F187 VanDerWaalsContact O-N 3.08Å | ||
| 185 | P | 90.3 | Very high | 91.9 | Very high | 88 Ų | 88 | 86.6 Ų | 86.6 | 57% | 0.571 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -60.7 | -27 | -177.3 | 24.8 | -34.5 | 0 | 0 | 0 | 113.7 | R188 | P185-R188 WeakPolarHBondContact O-CG 3.29Š|
| 186 | F | 89.1 | Confident | 91.9 | Very high | 117 Ų | 117 | 82 Ų | 82 | 51% | 0.513 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -70.6 | -28.6 | 178 | -65.3 | -70.9 | 0 | 0 | 0 | 113.3 | I158 N184 F189 | I158-F186 HydrophobicContact CD1-CB 4Å; I158-F186 HydrophobicContact CD1-CD1 3.8Å; I158-F186 HydrophobicContact CD1-CG 4.02Å; N184-F186 PolarHBondContact O-N 3.02Å; N184-F186 VanDerWaalsContact O-N 3.14Å; N184-F186 WeakPolarHBondContact OD1-CB 3.41Å; N184-F186 WeakPolarHBondContact OD1-CD2 3.3Å; N184-F186 PolarHBondContact OD1-N 3.22Å; F186-F189 WeakPolarHBondContact O-CD1 3.31Å; F186-F189 WeakPolarHBondContact O-CE1 3.35Å |
| 187 | F | 93.7 | Very high | 92 | Very high | 43 Ų | 43 | 79.2 Ų | 79.2 | 19% | 0.189 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -92.8 | 1.1 | -176.4 | -75.9 | -87.3 | 0 | 0 | 0 | 114.5 | I158 T162 V177 Q181 N184 F189 L190 | I158-F187 HydrophobicContact CG2-CE1 4.45Å; I158-F187 HydrophobicContact CG2-CZ 4.37Å; T162-F187 HydrophobicContact CG2-CE1 4.26Å; V177-F187 HydrophobicContact CG1-CD1 3.99Å; V177-F187 HydrophobicContact CG1-CE1 3.96Å; Q181-F187 HydrophobicContact CB-CB 3.75Å; Q181-F187 HydrophobicContact CB-CD1 4.2Å; Q181-F187 HydrophobicContact CB-CD2 3.75Å; Q181-F187 HydrophobicContact CB-CE2 4.4Å; Q181-F187 HydrophobicContact CB-CG 3.62Å; Q181-F187 HydrophobicContact CG-CD1 4.31Å; Q181-F187 HydrophobicContact CG-CD2 3.83Å; Q181-F187 HydrophobicContact CG-CE1 4.43Å; Q181-F187 HydrophobicContact CG-CE2 3.96Å; Q181-F187 HydrophobicContact CG-CG 4Å; Q181-F187 HydrophobicContact CG-CZ 4.26Å; N184-F187 HydrophobicContact CB-CD2 4.03Å; N184-F187 PolarHBondContact O-N 3.35Å; N184-F187 VanDerWaalsContact O-N 3.08Å; F187-F189 HydrophobicContact CD1-CE1 4.38Å; F187-F189 HydrophobicContact CD1-CZ 4.09Å; F187-F189 PolarHBondContact O-N 2.81Å; F187-L190 HydrophobicContact CB-CD1 4.45Å; F187-L190 HydrophobicContact CD1-CD1 4.1Å; F187-L190 WeakPolarHBondContact O-CB 3.3Å; F187-L190 WeakPolarHBondContact O-CG 3.36Å; F187-L190 PolarHBondContact O-N 3.04Å |
| 188 | R | 91.8 | Very high | 91.9 | Very high | 136 Ų | 136 | 82.3 Ų | 82.3 | 51% | 0.513 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -55.2 | -17.7 | -179.3 | -65.5 | 178.7 | 74.9 | 100.7 | 4.2 | 114.9 | P185 L190 D191 H194 | P185-R188 WeakPolarHBondContact O-CG 3.29Å; R188-L190 PolarHBondContact O-N 3.49Å; R188-D191 WeakPolarHBondContact O-CB 2.98Å; R188-D191 PolarHBondContact O-N 3.32Å; R188-D191 VanDerWaalsContact O-N 3.15Å; R188-H194 WeakPolarHBondContact O-CB 3.5Å; R188-H194 VanDerWaalsContact O-CG 3.31Å |
| 189 | F | 94.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 80.3 Ų | 80.3 | 0% | 0.004 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -65.1 | -13.3 | 171.4 | 64.6 | -97.8 | 0 | 0 | 0 | 114.1 | I158 I159 T162 F186 F187 L196 H197 Y200 | I158-F189 HydrophobicContact CG2-CE1 3.96Å; I158-F189 HydrophobicContact CG2-CZ 4.31Å; I159-F189 HydrophobicContact CD1-CB 4.4Å; I159-F189 HydrophobicContact CD1-CD1 4.12Å; I159-F189 HydrophobicContact CD1-CG 4.21Å; I159-F189 HydrophobicContact CG1-CB 4.4Å; I159-F189 HydrophobicContact CG1-CD1 3.48Å; I159-F189 VanDerWaalsContact CG1-CD1 3.48Å; I159-F189 HydrophobicContact CG1-CD2 4.01Å; I159-F189 HydrophobicContact CG1-CE1 3.61Å; I159-F189 HydrophobicContact CG1-CE2 4.12Å; I159-F189 HydrophobicContact CG1-CG 3.7Å; I159-F189 HydrophobicContact CG1-CZ 3.94Å; T162-F189 HydrophobicContact CG2-CE2 3.93Å; T162-F189 HydrophobicContact CG2-CZ 3.91Å; F186-F189 WeakPolarHBondContact O-CD1 3.31Å; F186-F189 WeakPolarHBondContact O-CE1 3.35Å; F187-F189 HydrophobicContact CD1-CE1 4.38Å; F187-F189 HydrophobicContact CD1-CZ 4.09Å; F187-F189 PolarHBondContact O-N 2.81Å; F189-L196 HydrophobicContact CB-CB 3.99Å; F189-H197 VanDerWaalsContact O-CA 3.29Å; F189-H197 WeakPolarHBondContact O-CA 3.4Å; F189-H197 WeakPolarHBondContact O-CB 3.44Å; F189-H197 PolarHBondContact O-ND1 3.09Å; F189-Y200 AromaticContact CD2-CD1 3.98Å; F189-Y200 HydrophobicContact CD2-CD1 3.98Å; F189-Y200 AromaticContact CD2-CD2 3.81Å; F189-Y200 HydrophobicContact CD2-CD2 3.81Å; F189-Y200 AromaticContact CD2-CG 3.52Å; F189-Y200 HydrophobicContact CD2-CG 3.52Å; F189-Y200 AromaticContact CE2-CD2 3.71Å; F189-Y200 HydrophobicContact CE2-CD2 3.71Å; F189-Y200 HydrophobicContact CE2-CE2 4.14Å; F189-Y200 AromaticContact CE2-CG 3.94Å; F189-Y200 HydrophobicContact CE2-CG 3.94Å |
| 190 | L | 93.3 | Very high | 91.9 | Very high | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -76.2 | -23.4 | 172.2 | -62.9 | 179 | 0 | 0 | 0 | 112.7 | T162 I166 V177 N178 F187 R188 H197 Y200 | T162-L190 HydrophobicContact CG2-CD2 4.38Å; I166-L190 HydrophobicContact CD1-CD2 4.4Å; V177-L190 HydrophobicContact CB-CD1 4.26Å; V177-L190 HydrophobicContact CG1-CD1 3.68Å; N178-L190 HydrophobicContact CB-CB 4.22Å; N178-L190 HydrophobicContact CB-CD1 4.13Å; F187-L190 HydrophobicContact CB-CD1 4.45Å; F187-L190 HydrophobicContact CD1-CD1 4.1Å; F187-L190 WeakPolarHBondContact O-CB 3.3Å; F187-L190 WeakPolarHBondContact O-CG 3.36Å; F187-L190 PolarHBondContact O-N 3.04Å; R188-L190 PolarHBondContact O-N 3.49Å; L190-H197 PolarHBondContact O-CE1 3.3Å; L190-H197 PolarHBondContact O-ND1 3.44Å; L190-Y200 HydrophobicContact CD2-CD1 4.22Å; L190-Y200 HydrophobicContact CD2-CE1 3.61Å; L190-Y200 HydrophobicContact CD2-CE2 4.13Å |
| 191 | D | 91.3 | Very high | 91.9 | Very high | 47 Ų | 47 | 69.6 Ų | 69.6 | 25% | 0.251 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -70.7 | 132.6 | 174 | -74.4 | -46.8 | 0 | 0 | 0 | 111.6 | R188 S193 H194 H197 | R188-D191 WeakPolarHBondContact O-CB 2.98Å; R188-D191 PolarHBondContact O-N 3.32Å; R188-D191 VanDerWaalsContact O-N 3.15Å; D191-S193 PolarHBondContact O-N 2.86Å; D191-S193 VanDerWaalsContact O-N 3.11Å; D191-H194 HydrophobicContact CB-CB 4.43Å; D191-H194 WeakPolarHBondContact O-CB 3.36Å; D191-H194 PolarHBondContact O-N 3.06Å; D191-H197 WeakPolarHBondContact O-CB 3.41Å; D191-H197 PolarHBondContact O-ND1 2.92Å |
| 192 | Y | 90.6 | Very high | 91.8 | Very high | 191 Ų | 191 | 66.8 Ų | 66.8 | 75% | 0.749 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -22.6 | 178.4 | -62.5 | -77.7 | 0 | 0 | 0 | 114.3 | H197 | Y192-H197 AromaticContact CD1-CE1 3.74Å; Y192-H197 AromaticContact CD1-NE2 3.44Å; Y192-H197 WeakPolarHBondContact CD1-NE2 3.49Å; Y192-H197 AromaticContact CE1-NE2 3.82Å |
| 193 | S | 90.7 | Very high | 91.9 | Very high | 113 Ų | 113 | 59.4 Ų | 59.4 | 79% | 0.79 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -11.2 | 178.7 | 54.7 | 0 | 0 | 0 | 0 | 113.8 | D191 | D191-S193 PolarHBondContact O-N 2.86Å; D191-S193 VanDerWaalsContact O-N 3.11Å |
| 194 | H | 91 | Very high | 92.1 | Very high | 54 Ų | 54 | 56 Ų | 56 | 25% | 0.25 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -86.6 | 135.3 | -174.6 | -165.9 | -104.7 | 0 | 0 | 0 | 112.1 | R188 D191 L196 H197 | R188-H194 WeakPolarHBondContact O-CB 3.5Å; R188-H194 VanDerWaalsContact O-CG 3.31Å; D191-H194 HydrophobicContact CB-CB 4.43Å; D191-H194 WeakPolarHBondContact O-CB 3.36Å; D191-H194 PolarHBondContact O-N 3.06Å; H194-L196 VanDerWaalsContact C-N 3.25Å; H194-L196 PolarHBondContact ND1-N 3.28Å; H194-L196 PolarHBondContact O-N 3.12Å; H194-L196 VanDerWaalsContact O-N 3.16Å; H194-H197 WeakPolarHBondContact O-CB 3.03Å; H194-H197 PolarHBondContact O-N 3.12Å |
| 195 | Q | 90.7 | Very high | 92.1 | Very high | 139 Ų | 139 | 59.8 Ų | 59.8 | 65% | 0.65 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -35.3 | -174.6 | -61.7 | 177.1 | 13 | 0 | 0 | 113 | V148 H197 | V148-Q195 HydrophobicContact CB-CB 4.24Å; V148-Q195 HydrophobicContact CG1-CB 4.38Å; V148-Q195 HydrophobicContact CG2-CB 4.18Å; Q195-H197 VanDerWaalsContact C-N 3.26Å; Q195-H197 PolarHBondContact O-N 2.85Å |
| 196 | L | 92 | Very high | 92.2 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -5.5 | 176.6 | -57.4 | -177.5 | 0 | 0 | 0 | 114.3 | V148 P150 Q155 I159 F189 H194 V198 Y199 Y200 | V148-L196 HydrophobicContact CB-CD2 4.37Å; V148-L196 HydrophobicContact CG1-CD2 3.97Å; V148-L196 WeakPolarHBondContact O-CD2 3.47Å; P150-L196 HydrophobicContact CB-CD1 4.36Å; P150-L196 HydrophobicContact CG-CD2 4.41Å; Q155-L196 HydrophobicContact CG-CD1 4.11Å; Q155-L196 VanDerWaalsContact OE1-CD1 3.32Å; I159-L196 HydrophobicContact CD1-CB 4.39Å; I159-L196 HydrophobicContact CD1-CD1 4.12Å; F189-L196 HydrophobicContact CB-CB 3.99Å; H194-L196 VanDerWaalsContact C-N 3.25Å; H194-L196 PolarHBondContact ND1-N 3.28Å; H194-L196 PolarHBondContact O-N 3.12Å; H194-L196 VanDerWaalsContact O-N 3.16Å; L196-V198 PolarHBondContact O-N 3.15Å; L196-Y199 WeakPolarHBondContact O-CB 3.37Å; L196-Y199 PolarHBondContact O-N 3.04Å; L196-Y199 VanDerWaalsContact O-N 3.17Å; L196-Y200 WeakPolarHBondContact O-CB 3.12Å; L196-Y200 PolarHBondContact O-N 3.47Å |
| 197 | H | 93.8 | Very high | 92.3 | Very high | 18 Ų | 18 | 51.5 Ų | 51.5 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.4 | -38.7 | 174.4 | -169.6 | 90.3 | 0 | 0 | 0 | 111.3 | F189 L190 D191 Y192 H194 Q195 Y199 Y200 K201 | F189-H197 VanDerWaalsContact O-CA 3.29Å; F189-H197 WeakPolarHBondContact O-CA 3.4Å; F189-H197 WeakPolarHBondContact O-CB 3.44Å; F189-H197 PolarHBondContact O-ND1 3.09Å; L190-H197 PolarHBondContact O-CE1 3.3Å; L190-H197 PolarHBondContact O-ND1 3.44Å; D191-H197 WeakPolarHBondContact O-CB 3.41Å; D191-H197 PolarHBondContact O-ND1 2.92Å; Y192-H197 AromaticContact CD1-CE1 3.74Å; Y192-H197 AromaticContact CD1-NE2 3.44Å; Y192-H197 WeakPolarHBondContact CD1-NE2 3.49Å; Y192-H197 AromaticContact CE1-NE2 3.82Å; H194-H197 WeakPolarHBondContact O-CB 3.03Å; H194-H197 PolarHBondContact O-N 3.12Å; Q195-H197 VanDerWaalsContact C-N 3.26Å; Q195-H197 PolarHBondContact O-N 2.85Å; H197-Y199 VanDerWaalsContact C-N 3.32Å; H197-Y199 PolarHBondContact O-N 2.89Å; H197-Y200 PolarHBondContact O-N 3.48Å; H197-K201 VanDerWaalsContact CE1-CE 3.49Å; H197-K201 WeakPolarHBondContact CE1-CE 3.19Å; H197-K201 WeakPolarHBondContact NE2-CE 3.33Å; H197-K201 WeakPolarHBondContact O-CB 3.18Å; H197-K201 VanDerWaalsContact O-CG 3.28Å; H197-K201 WeakPolarHBondContact O-CG 3.26Å; H197-K201 PolarHBondContact O-N 3.49Å |
| 198 | V | 92.1 | Very high | 92.2 | Very high | 85 Ų | 85 | 54.4 Ų | 54.4 | 52% | 0.515 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 176.2 | -171.6 | 0 | 0 | 0 | 0 | 111 | V147 L196 H202 | V147-V198 HydrophobicContact CB-CG1 4.5Å; V147-V198 HydrophobicContact CG1-CB 4.28Å; V147-V198 HydrophobicContact CG1-CG1 4.09Å; V147-V198 HydrophobicContact CG2-CG1 3.87Å; L196-V198 PolarHBondContact O-N 3.15Å; V198-H202 WeakPolarHBondContact O-CB 3.36Å; V198-H202 PolarHBondContact O-N 3.19Å; V198-H202 VanDerWaalsContact O-N 3.09Å |
| 199 | Y | 92.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.4 | -49.7 | 176.1 | 179.9 | -94.6 | 0 | 0 | 0 | 111.8 | L141 V143 V147 V148 P150 H156 I159 L196 H197 K201 H202 V203 | L141-Y199 WeakPolarHBondContact CD1-OH 3.44Å; V143-Y199 HydrophobicContact CG2-CE2 4.16Å; V147-Y199 HydrophobicContact CG1-CD2 4.21Å; V147-Y199 HydrophobicContact CG1-CG 4.5Å; V148-Y199 WeakPolarHBondContact O-CB 3.45Å; P150-Y199 HydrophobicContact CG-CD1 3.63Å; P150-Y199 HydrophobicContact CG-CE1 3.41Å; P150-Y199 VanDerWaalsContact CG-CE1 3.41Å; P150-Y199 HydrophobicContact CG-CG 4.31Å; H156-Y199 PolarHBondContact CE1-OH 3.37Å; H156-Y199 VanDerWaalsContact CE1-OH 3.24Å; H156-Y199 AromaticContact ND1-CE1 3.92Å; H156-Y199 AromaticContact ND1-CZ 3.86Å; H156-Y199 PolarHBondContact ND1-OH 3.39Å; I159-Y199 HydrophobicContact CD1-CD1 4.17Å; I159-Y199 HydrophobicContact CD1-CE1 4.47Å; I159-Y199 HydrophobicContact CG2-CD1 4Å; I159-Y199 HydrophobicContact CG2-CE1 3.99Å; L196-Y199 WeakPolarHBondContact O-CB 3.37Å; L196-Y199 PolarHBondContact O-N 3.04Å; L196-Y199 VanDerWaalsContact O-N 3.17Å; H197-Y199 VanDerWaalsContact C-N 3.32Å; H197-Y199 PolarHBondContact O-N 2.89Å; Y199-K201 PolarHBondContact O-N 2.97Å; Y199-H202 WeakPolarHBondContact O-CA 3.18Å; Y199-H202 WeakPolarHBondContact O-CB 3.36Å; Y199-H202 PolarHBondContact O-N 3.11Å; Y199-V203 HydrophobicContact CD1-CG2 4.11Å; Y199-V203 HydrophobicContact CE1-CG2 3.66Å; Y199-V203 HydrophobicContact CE2-CG2 4.37Å; Y199-V203 WeakPolarHBondContact O-CG2 3.5Å; Y199-V203 PolarHBondContact O-N 3.17Å |
| 200 | Y | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 176.6 | 155.3 | -108.3 | 0 | 0 | 0 | 112.3 | I159 A163 I166 E174 F189 L190 L196 H197 H202 V203 L204 | I159-Y200 HydrophobicContact CG2-CD2 4.25Å; A163-Y200 HydrophobicContact CB-CD2 4.17Å; A163-Y200 HydrophobicContact CB-CE2 4.1Å; I166-Y200 HydrophobicContact CD1-CE2 4.41Å; I166-Y200 VanDerWaalsContact CD1-OH 3.23Å; I166-Y200 WeakPolarHBondContact CD1-OH 3.39Å; E174-Y200 VanDerWaalsContact CD-OH 3.3Å; E174-Y200 WeakPolarHBondContact OE1-CE1 3.37Å; E174-Y200 VanDerWaalsContact OE1-CZ 3.27Å; E174-Y200 PolarHBondContact OE1-OH 2.95Å; F189-Y200 AromaticContact CD2-CD1 3.98Å; F189-Y200 HydrophobicContact CD2-CD1 3.98Å; F189-Y200 AromaticContact CD2-CD2 3.81Å; F189-Y200 HydrophobicContact CD2-CD2 3.81Å; F189-Y200 AromaticContact CD2-CG 3.52Å; F189-Y200 HydrophobicContact CD2-CG 3.52Å; F189-Y200 AromaticContact CE2-CD2 3.71Å; F189-Y200 HydrophobicContact CE2-CD2 3.71Å; F189-Y200 HydrophobicContact CE2-CE2 4.14Å; F189-Y200 AromaticContact CE2-CG 3.94Å; F189-Y200 HydrophobicContact CE2-CG 3.94Å; L190-Y200 HydrophobicContact CD2-CD1 4.22Å; L190-Y200 HydrophobicContact CD2-CE1 3.61Å; L190-Y200 HydrophobicContact CD2-CE2 4.13Å; L196-Y200 WeakPolarHBondContact O-CB 3.12Å; L196-Y200 PolarHBondContact O-N 3.47Å; H197-Y200 PolarHBondContact O-N 3.48Å; Y200-H202 PolarHBondContact O-N 3.09Å; Y200-V203 PolarHBondContact O-N 3.4Å; Y200-L204 HydrophobicContact CE2-CB 4.43Å; Y200-L204 VanDerWaalsContact O-CB 3.31Å; Y200-L204 WeakPolarHBondContact O-CB 3.13Å; Y200-L204 PolarHBondContact O-N 2.87Å |
| 201 | K | 93.6 | Very high | 91.4 | Very high | 66 Ų | 66 | 68.8 Ų | 68.8 | 29% | 0.287 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.3 | -31.1 | 175.2 | -70.6 | -66.7 | -171.6 | -178.1 | 0 | 112.3 | E174 H197 Y199 R205 | E174-K201 WeakPolarHBondContact OE1-CE 3.44Å; E174-K201 IonicContact OE1-NZ 3.82Å; E174-K201 PolarHBondContact OE1-NZ 2.83Å; E174-K201 IonicContact OE2-NZ 3.9Å; E174-K201 PolarHBondContact OE2-NZ 3.42Å; H197-K201 VanDerWaalsContact CE1-CE 3.49Å; H197-K201 WeakPolarHBondContact CE1-CE 3.19Å; H197-K201 WeakPolarHBondContact NE2-CE 3.33Å; H197-K201 WeakPolarHBondContact O-CB 3.18Å; H197-K201 VanDerWaalsContact O-CG 3.28Å; H197-K201 WeakPolarHBondContact O-CG 3.26Å; H197-K201 PolarHBondContact O-N 3.49Å; Y199-K201 PolarHBondContact O-N 2.97Å; K201-R205 VanDerWaalsContact O-CB 3.31Å; K201-R205 WeakPolarHBondContact O-CB 3.28Å; K201-R205 PolarHBondContact O-N 2.85Å; K201-R205 VanDerWaalsContact O-N 3.07Å |
| 202 | H | 91.3 | Very high | 91.2 | Very high | 11 Ų | 11 | 67.1 Ų | 67.1 | 5% | 0.051 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -72.2 | -45.2 | 174.2 | -179 | 27.8 | 0 | 0 | 0 | 112.6 | L141 V143 P144 V198 Y199 Y200 R205 M206 | L141-H202 PolarHBondContact O-NE2 2.89Å; L141-H202 VanDerWaalsContact O-NE2 3.08Å; V143-H202 WeakPolarHBondContact CA-NE2 3.1Å; P144-H202 VanDerWaalsContact CD-NE2 3.28Å; P144-H202 WeakPolarHBondContact CD-NE2 3.21Å; V198-H202 WeakPolarHBondContact O-CB 3.36Å; V198-H202 PolarHBondContact O-N 3.19Å; V198-H202 VanDerWaalsContact O-N 3.09Å; Y199-H202 WeakPolarHBondContact O-CA 3.18Å; Y199-H202 WeakPolarHBondContact O-CB 3.36Å; Y199-H202 PolarHBondContact O-N 3.11Å; Y200-H202 PolarHBondContact O-N 3.09Å; H202-R205 PolarHBondContact O-N 2.92Å; H202-M206 VanDerWaalsContact CE1-CG 3.46Å; H202-M206 WeakPolarHBondContact CE1-CG 3.41Å; H202-M206 WeakPolarHBondContact O-CG 3.38Å; H202-M206 PolarHBondContact O-N 3.29Å |
| 203 | V | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.2 | -49.7 | 173.4 | 176 | 0 | 0 | 0 | 0 | 110.3 | L141 A163 Y199 Y200 R205 M206 I207 Y212 | L141-V203 HydrophobicContact CD2-CG2 4.05Å; A163-V203 HydrophobicContact CB-CB 4.42Å; A163-V203 HydrophobicContact CB-CG1 3.85Å; Y199-V203 HydrophobicContact CD1-CG2 4.11Å; Y199-V203 HydrophobicContact CE1-CG2 3.66Å; Y199-V203 HydrophobicContact CE2-CG2 4.37Å; Y199-V203 WeakPolarHBondContact O-CG2 3.5Å; Y199-V203 PolarHBondContact O-N 3.17Å; Y200-V203 PolarHBondContact O-N 3.4Å; V203-R205 VanDerWaalsContact C-N 3.26Å; V203-R205 PolarHBondContact O-N 2.97Å; V203-M206 PolarHBondContact O-N 3.44Å; V203-I207 HydrophobicContact CG1-CD1 3.94Å; V203-I207 HydrophobicContact CG1-CG1 4.41Å; V203-I207 WeakPolarHBondContact O-CG1 3.45Å; V203-I207 PolarHBondContact O-N 2.89Å; V203-Y212 HydrophobicContact CG1-CD1 4.29Å; V203-Y212 HydrophobicContact CG1-CE1 4.14Å |
| 204 | L | 93.6 | Very high | 90.3 | Very high | 9 Ų | 9 | 59.1 Ų | 59.1 | 5% | 0.047 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.6 | -40 | 176.6 | -179.9 | 65.9 | 0 | 0 | 0 | 112.4 | A163 I166 A167 Y200 K208 | A163-L204 HydrophobicContact CB-CB 4.17Å; A163-L204 HydrophobicContact CB-CD1 4.4Å; A163-L204 WeakPolarHBondContact O-CD1 3.33Å; I166-L204 HydrophobicContact CB-CD1 4.05Å; I166-L204 HydrophobicContact CG2-CD1 3.85Å; I166-L204 HydrophobicContact CG2-CD2 4.07Å; A167-L204 HydrophobicContact CB-CD1 4.19Å; Y200-L204 HydrophobicContact CE2-CB 4.43Å; Y200-L204 VanDerWaalsContact O-CB 3.31Å; Y200-L204 WeakPolarHBondContact O-CB 3.13Å; Y200-L204 PolarHBondContact O-N 2.87Å; L204-K208 HydrophobicContact CD1-CD 4.35Å; L204-K208 HydrophobicContact CG-CD 4.32Å; L204-K208 WeakPolarHBondContact O-CB 3.42Å; L204-K208 WeakPolarHBondContact O-CG 3.38Å; L204-K208 PolarHBondContact O-N 3.48Å |
| 205 | R | 92.5 | Very high | 89.1 | Confident | 125 Ų | 125 | 60.3 Ų | 60.3 | 47% | 0.472 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67 | -45.6 | 174.1 | 174.1 | 164.2 | 58.5 | 104.4 | -4.7 | 112 | K201 H202 V203 I207 K208 E209 | K201-R205 VanDerWaalsContact O-CB 3.31Å; K201-R205 WeakPolarHBondContact O-CB 3.28Å; K201-R205 PolarHBondContact O-N 2.85Å; K201-R205 VanDerWaalsContact O-N 3.07Å; H202-R205 PolarHBondContact O-N 2.92Å; V203-R205 VanDerWaalsContact C-N 3.26Å; V203-R205 PolarHBondContact O-N 2.97Å; R205-I207 VanDerWaalsContact C-N 3.32Å; R205-I207 PolarHBondContact O-N 2.9Å; R205-K208 PolarHBondContact O-N 2.6Å; R205-E209 WeakPolarHBondContact CD-OE1 3.19Å; R205-E209 HydrophobicContact CG-CG 4.28Å; R205-E209 WeakPolarHBondContact CG-OE1 3.29Å; R205-E209 IonicContact NH1-OE1 3.75Å; R205-E209 WeakPolarHBondContact O-CB 3.28Å; R205-E209 WeakPolarHBondContact O-CG 3.21Å; R205-E209 PolarHBondContact O-N 3.23Å |
| 206 | M | 91.1 | Very high | 87.6 | Confident | 10 Ų | 10 | 57.9 Ų | 57.9 | 5% | 0.049 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.1 | -36 | 178.9 | -70.5 | -71.5 | -75.6 | 0 | 0 | 112.5 | K142 H202 V203 K210 R211 Y212 | K142-M206 HydrophobicContact CB-CE 4.49Å; H202-M206 VanDerWaalsContact CE1-CG 3.46Å; H202-M206 WeakPolarHBondContact CE1-CG 3.41Å; H202-M206 WeakPolarHBondContact O-CG 3.38Å; H202-M206 PolarHBondContact O-N 3.29Å; V203-M206 PolarHBondContact O-N 3.44Å; M206-K210 PolarHBondContact O-N 3.27Å; M206-R211 HydrophobicContact CE-CB 3.62Å; M206-R211 PolarHBondContact O-N 3.22Å; M206-R211 HydrophobicContact SD-CB 3.88Å; M206-Y212 PolarHBondContact O-N 3.27Å |
| 207 | I | 92.4 | Very high | 85.7 | Confident | 21 Ų | 21 | 62 Ų | 62 | 11% | 0.108 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.5 | -47.2 | 172.7 | -62.1 | 174.6 | 0 | 0 | 0 | 110.5 | A163 A167 V203 R205 E209 K210 Y212 P214 | A163-I207 HydrophobicContact CB-CD1 3.91Å; A167-I207 HydrophobicContact CB-CB 4.31Å; A167-I207 HydrophobicContact CB-CG2 3.57Å; V203-I207 HydrophobicContact CG1-CD1 3.94Å; V203-I207 HydrophobicContact CG1-CG1 4.41Å; V203-I207 WeakPolarHBondContact O-CG1 3.45Å; V203-I207 PolarHBondContact O-N 2.89Å; R205-I207 VanDerWaalsContact C-N 3.32Å; R205-I207 PolarHBondContact O-N 2.9Å; I207-E209 VanDerWaalsContact C-N 3.34Å; I207-E209 PolarHBondContact O-N 3.47Å; I207-K210 WeakPolarHBondContact O-CA 3.42Å; I207-K210 PolarHBondContact O-N 2.7Å; I207-Y212 HydrophobicContact CD1-CD1 4.32Å; I207-Y212 HydrophobicContact CG1-CD1 3.79Å; I207-P214 HydrophobicContact CD1-CB 4.24Å; I207-P214 HydrophobicContact CD1-CG 4.25Å |
| 208 | K | 91.1 | Very high | 83.3 | Confident | 103 Ų | 103 | 70.8 Ų | 70.8 | 45% | 0.448 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64 | -35 | 178 | -75.5 | 177.5 | 177.3 | 176.9 | 0 | 113.2 | A167 L204 R205 K210 | A167-K208 HydrophobicContact CB-CG 3.99Å; L204-K208 HydrophobicContact CD1-CD 4.35Å; L204-K208 HydrophobicContact CG-CD 4.32Å; L204-K208 WeakPolarHBondContact O-CB 3.42Å; L204-K208 WeakPolarHBondContact O-CG 3.38Å; L204-K208 PolarHBondContact O-N 3.48Å; R205-K208 PolarHBondContact O-N 2.6Å; K208-K210 PolarHBondContact O-N 2.85Å |
| 209 | E | 91.4 | Very high | 80.8 | Confident | 85 Ų | 85 | 70.6 Ų | 70.6 | 40% | 0.397 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -3.6 | 171.3 | -70.7 | -175.2 | -137.3 | 0 | 0 | 113.4 | R205 I207 R211 | R205-E209 WeakPolarHBondContact CD-OE1 3.19Å; R205-E209 HydrophobicContact CG-CG 4.28Å; R205-E209 WeakPolarHBondContact CG-OE1 3.29Å; R205-E209 IonicContact NH1-OE1 3.75Å; R205-E209 WeakPolarHBondContact O-CB 3.28Å; R205-E209 WeakPolarHBondContact O-CG 3.21Å; R205-E209 PolarHBondContact O-N 3.23Å; I207-E209 VanDerWaalsContact C-N 3.34Å; I207-E209 PolarHBondContact O-N 3.47Å; E209-R211 HydrophobicContact CB-CB 4.5Å; E209-R211 HydrophobicContact CB-CG 3.94Å; E209-R211 PolarHBondContact O-N 3.49Å; E209-R211 WeakPolarHBondContact OE2-CD 3.4Å; E209-R211 IonicContact OE2-CZ 3.83Å; E209-R211 IonicContact OE2-NE 2.8Å; E209-R211 PolarHBondContact OE2-NE 2.83Å |
| 210 | K | 86.2 | Confident | 78 | Confident | 190 Ų | 190 | 77.6 Ų | 77.6 | 83% | 0.826 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 28.6 | -173.5 | -54 | -177.7 | -178.8 | -178.3 | 0 | 113.9 | M206 I207 K208 | M206-K210 PolarHBondContact O-N 3.27Å; I207-K210 WeakPolarHBondContact O-CA 3.42Å; I207-K210 PolarHBondContact O-N 2.7Å; K208-K210 PolarHBondContact O-N 2.85Å |
| 211 | R | 85.7 | Confident | 75.2 | Confident | 168 Ų | 168 | 83.6 Ų | 83.6 | 63% | 0.634 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -93.1 | -13.6 | 177.4 | -67.9 | -173.1 | -174.5 | -76.8 | 2.9 | 113.9 | M206 E209 | M206-R211 HydrophobicContact CE-CB 3.62Å; M206-R211 PolarHBondContact O-N 3.22Å; M206-R211 HydrophobicContact SD-CB 3.88Å; E209-R211 HydrophobicContact CB-CB 4.5Å; E209-R211 HydrophobicContact CB-CG 3.94Å; E209-R211 PolarHBondContact O-N 3.49Å; E209-R211 WeakPolarHBondContact OE2-CD 3.4Å; E209-R211 IonicContact OE2-CZ 3.83Å; E209-R211 IonicContact OE2-NE 2.8Å; E209-R211 PolarHBondContact OE2-NE 2.83Å |
| 212 | Y | 85.5 | Confident | 72.4 | Confident | 12 Ų | 12 | 86.5 Ų | 86.5 | 5% | 0.047 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -132.6 | 121.2 | 172.9 | 175.4 | -115.2 | 0 | 0 | 0 | 107.6 | E140 L141 E160 V203 M206 I207 P214 | E140-Y212 HydrophobicContact CB-CD2 4.29Å; L141-Y212 HydrophobicContact CD1-CE2 4.1Å; L141-Y212 HydrophobicContact CD2-CD1 3.66Å; L141-Y212 HydrophobicContact CD2-CD2 3.61Å; L141-Y212 HydrophobicContact CD2-CE1 3.89Å; L141-Y212 HydrophobicContact CD2-CE2 3.81Å; L141-Y212 HydrophobicContact CD2-CG 3.51Å; L141-Y212 HydrophobicContact CG-CD2 3.75Å; L141-Y212 HydrophobicContact CG-CE1 4.49Å; L141-Y212 HydrophobicContact CG-CE2 3.64Å; L141-Y212 HydrophobicContact CG-CG 4.19Å; E160-Y212 HydrophobicContact CG-CE1 4.31Å; E160-Y212 PolarHBondContact OE1-OH 2.92Å; V203-Y212 HydrophobicContact CG1-CD1 4.29Å; V203-Y212 HydrophobicContact CG1-CE1 4.14Å; M206-Y212 PolarHBondContact O-N 3.27Å; I207-Y212 HydrophobicContact CD1-CD1 4.32Å; I207-Y212 HydrophobicContact CG1-CD1 3.79Å; Y212-P214 HydrophobicContact CE1-CB 4.36Å |
| 213 | T | 82.5 | Confident | 69.8 | Low | 107 Ų | 107 | 89.5 Ų | 89.5 | 66% | 0.656 | 43% | 0.428 | S | S | * | . | trans | -87.1 | 114.8 | 167.9 | 40.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 214 | P | 79.5 | Confident | 67.2 | Low | 29 Ų | 29 | 95.6 Ų | 95.6 | 19% | 0.188 | 46% | 0.459 | C | S | . | . | trans | -60.9 | 144.6 | 176 | 25.6 | -31.9 | 0 | 0 | 0 | 109.8 | E160 I207 Y212 V216 | E160-P214 HydrophobicContact CG-CB 3.74Å; E160-P214 VanDerWaalsContact OE1-CA 3.28Å; E160-P214 WeakPolarHBondContact OE1-CA 3.43Å; I207-P214 HydrophobicContact CD1-CB 4.24Å; I207-P214 HydrophobicContact CD1-CG 4.25Å; Y212-P214 HydrophobicContact CE1-CB 4.36Å; P214-V216 HydrophobicContact CB-CG2 4.32Å; P214-V216 HydrophobicContact CG-CG2 4.11Å; P214-V216 PolarHBondContact O-N 3.32Å | ||
| 215 | S | 67.5 | Low | 64.6 | Low | 79 Ų | 79 | 101.8 Ų | 101.8 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | trans | -73.1 | 65.8 | 177.6 | -167.2 | 0 | 0 | 0 | 0 | 111 | E160 E217 | E160-S215 PolarHBondContact OE1-N 3.5Å; S215-E217 PolarHBondContact O-N 3.34Å | ||
| 216 | V | 59.2 | Low | 62.2 | Low | 89 Ų | 89 | 102.5 Ų | 102.5 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | trans | -73.1 | 78 | 168.5 | -172.3 | 0 | 0 | 0 | 0 | 107.5 | P214 K218 | P214-V216 HydrophobicContact CB-CG2 4.32Å; P214-V216 HydrophobicContact CG-CG2 4.11Å; P214-V216 PolarHBondContact O-N 3.32Å; V216-K218 PolarHBondContact O-N 2.87Å; V216-K218 VanDerWaalsContact O-N 3.17Å | ||
| 217 | E | 51.4 | Low | 59.7 | Low | 96 Ų | 96 | 107.7 Ų | 107.7 | 45% | 0.449 | 53% | 0.528 | S | S | . | . | trans | -40.1 | 120.7 | 153 | -68.3 | 164.7 | -164.2 | 0 | 0 | 107 | K157 S215 I219 | K157-E217 IonicContact NZ-OE1 3.01Å; K157-E217 PolarHBondContact NZ-OE1 3.45Å; S215-E217 PolarHBondContact O-N 3.34Å; E217-I219 HydrophobicContact CB-CD1 4.35Å; E217-I219 HydrophobicContact CB-CG1 4.21Å; E217-I219 PolarHBondContact O-N 2.91Å | ||
| 218 | K | 43 | Very low | 57.3 | Low | 202 Ų | 202 | 115.6 Ų | 115.6 | 88% | 0.878 | 56% | 0.564 | S | S | * | * | trans | -75.7 | 44.5 | -179.6 | -66.6 | -175.8 | -178.7 | 177.2 | 0 | 112.2 | V216 K220 | V216-K218 PolarHBondContact O-N 2.87Å; V216-K218 VanDerWaalsContact O-N 3.17Å; K218-K220 PolarHBondContact O-N 3.11Å | ||
| 219 | I | 39.5 | Very low | 54.6 | Low | 81 Ų | 81 | 117.9 Ų | 117.9 | 42% | 0.415 | 58% | 0.581 | S | S | . | * | trans | -52.4 | 128.1 | 152.5 | -58.2 | 171.5 | 0 | 0 | 0 | 105.6 | E217 I221 I224 | E217-I219 HydrophobicContact CB-CD1 4.35Å; E217-I219 HydrophobicContact CB-CG1 4.21Å; E217-I219 PolarHBondContact O-N 2.91Å; I219-I221 WeakPolarHBondContact O-CG1 3.5Å; I219-I221 PolarHBondContact O-N 2.96Å; I219-I224 HydrophobicContact CG2-CD1 4.12Å | ||
| 220 | K | 34.5 | Very low | 51.8 | Low | 147 Ų | 147 | 120.8 Ų | 120.8 | 64% | 0.639 | 60% | 0.599 | S | S | * | * | trans | -66.8 | 102.7 | 178.6 | -63.1 | 170.4 | -175.2 | 170.7 | 0 | 107.5 | K218 D222 K223 | K218-K220 PolarHBondContact O-N 3.11Å; K220-D222 PolarHBondContact O-N 2.88Å; K220-D222 VanDerWaalsContact O-N 3.08Å; K220-K223 HydrophobicContact CB-CB 4.34Å; K220-K223 HydrophobicContact CB-CG 4.27Å; K220-K223 HydrophobicContact CD-CD 4.48Å; K220-K223 WeakPolarHBondContact O-CB 3.4Å; K220-K223 PolarHBondContact O-N 3.03Å | ||
| 221 | I | 36.6 | Very low | 49.5 | Very low | 125 Ų | 125 | 119.4 Ų | 119.4 | 64% | 0.641 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 13.9 | 172.7 | -36.3 | -174 | 0 | 0 | 0 | 111 | I219 K223 | I219-I221 WeakPolarHBondContact O-CG1 3.5Å; I219-I221 PolarHBondContact O-N 2.96Å; I221-K223 VanDerWaalsContact C-N 3.29Å |
| 222 | D | 33.6 | Very low | 47.6 | Very low | 127 Ų | 127 | 120.3 Ų | 120.3 | 68% | 0.679 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | 3.6 | 155.3 | -59.3 | -59.8 | 0 | 0 | 0 | 112.7 | K220 K226 | K220-D222 PolarHBondContact O-N 2.88Å; K220-D222 VanDerWaalsContact O-N 3.08Å; D222-K226 WeakPolarHBondContact O-CB 3.47Å; D222-K226 WeakPolarHBondContact O-CD 3.38Å |
| 223 | K | 37.5 | Very low | 45.4 | Very low | 74 Ų | 74 | 128.7 Ų | 128.7 | 32% | 0.322 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -130.3 | -16.1 | -172.1 | -71.6 | -152.8 | 96.7 | -152 | 0 | 117.8 | K220 I221 V225 K226 E227 | K220-K223 HydrophobicContact CB-CB 4.34Å; K220-K223 HydrophobicContact CB-CG 4.27Å; K220-K223 HydrophobicContact CD-CD 4.48Å; K220-K223 WeakPolarHBondContact O-CB 3.4Å; K220-K223 PolarHBondContact O-N 3.03Å; I221-K223 VanDerWaalsContact C-N 3.29Å; K223-V225 PolarHBondContact O-N 2.94Å; K223-K226 WeakPolarHBondContact CE-O 3.22Å; K223-K226 CarbonylContact O-C 3.59Å; K223-K226 WeakPolarHBondContact O-CA 3.34Å; K223-K226 PolarHBondContact O-N 3.34Å; K223-E227 HydrophobicContact CB-CG 3.76Å; K223-E227 WeakPolarHBondContact CB-OE2 3.5Å; K223-E227 HydrophobicContact CD-CG 3.88Å; K223-E227 VanDerWaalsContact CD-OE1 3.25Å; K223-E227 WeakPolarHBondContact CD-OE1 3.23Å; K223-E227 VanDerWaalsContact CE-OE1 3.28Å; K223-E227 WeakPolarHBondContact CE-OE1 3.41Å; K223-E227 HydrophobicContact CG-CG 4.22Å; K223-E227 IonicContact NZ-OE1 2.77Å; K223-E227 PolarHBondContact NZ-OE1 3.15Å; K223-E227 VanDerWaalsContact O-CB 3.31Å; K223-E227 WeakPolarHBondContact O-CB 3.4Å; K223-E227 PolarHBondContact O-N 3.07Å |
| 224 | I | 37.6 | Very low | 43.7 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 66% | 0.656 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 15.4 | 167.4 | -60.2 | 176.5 | 0 | 0 | 0 | 112.2 | I219 | I219-I224 HydrophobicContact CG2-CD1 4.12Š|
| 225 | V | 38.9 | Very low | 42 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 85% | 0.848 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.8 | 31.2 | 158.6 | -163 | 0 | 0 | 0 | 0 | 108.3 | K223 | K223-V225 PolarHBondContact O-N 2.94Š|
| 226 | K | 40.9 | Very low | 41.1 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 61% | 0.609 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -171 | 26.1 | -167.8 | -128.2 | 179.2 | 179.5 | 179.9 | 0 | 115.4 | D222 K223 | D222-K226 WeakPolarHBondContact O-CB 3.47Å; D222-K226 WeakPolarHBondContact O-CD 3.38Å; K223-K226 WeakPolarHBondContact CE-O 3.22Å; K223-K226 CarbonylContact O-C 3.59Å; K223-K226 WeakPolarHBondContact O-CA 3.34Å; K223-K226 PolarHBondContact O-N 3.34Å |
| 227 | E | 39.7 | Very low | 40.5 | Very low | 119 Ų | 119 | 141 Ų | 141 | 56% | 0.556 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -132 | 4.2 | 174 | -85.9 | 177.5 | 152.8 | 0 | 0 | 113.1 | K223 | K223-E227 HydrophobicContact CB-CG 3.76Å; K223-E227 WeakPolarHBondContact CB-OE2 3.5Å; K223-E227 HydrophobicContact CD-CG 3.88Å; K223-E227 VanDerWaalsContact CD-OE1 3.25Å; K223-E227 WeakPolarHBondContact CD-OE1 3.23Å; K223-E227 VanDerWaalsContact CE-OE1 3.28Å; K223-E227 WeakPolarHBondContact CE-OE1 3.41Å; K223-E227 HydrophobicContact CG-CG 4.22Å; K223-E227 IonicContact NZ-OE1 2.77Å; K223-E227 PolarHBondContact NZ-OE1 3.15Å; K223-E227 VanDerWaalsContact O-CB 3.31Å; K223-E227 WeakPolarHBondContact O-CB 3.4Å; K223-E227 PolarHBondContact O-N 3.07Å |
| 228 | E | 41.5 | Very low | 40.3 | Very low | 186 Ų | 186 | 141.5 Ų | 141.5 | 87% | 0.869 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -96 | 134.8 | 138.6 | -68.4 | 175.7 | -178.6 | 0 | 0 | 104.6 | ||
| 229 | L | 35.2 | Very low | 40.5 | Very low | 151 Ų | 151 | 138 Ų | 138 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 68.3 | 88.8 | -156.8 | -49.1 | 176.5 | 0 | 0 | 0 | 114.4 | ||
| 230 | N | 31.9 | Very low | 41.5 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | 172.6 | 85.1 | 122.5 | -94.9 | 26.5 | 0 | 0 | 0 | 111.6 | |||||
| 231 | D | 38.5 | Very low | 42.8 | Very low | 161 Ų | 161 | 142 Ų | 142 | 86% | 0.861 | 74% | 0.739 | S | S | * | * | trans | -162.4 | 125.1 | 154.1 | -73.9 | -45.6 | 0 | 0 | 0 | 102.9 | ||||
| 232 | E | 46 | Very low | 44.5 | Very low | 188 Ų | 188 | 140.3 Ų | 140.3 | 88% | 0.879 | 73% | 0.732 | S | S | * | * | cis | -131.2 | -178.6 | 2.4 | -62.8 | -170.5 | 147.8 | 0 | 0 | 112.2 | ||||
| 233 | E | 37.8 | Very low | 45.8 | Very low | 188 Ų | 188 | 139.3 Ų | 139.3 | 88% | 0.879 | 72% | 0.723 | S | S | * | * | trans | -59.8 | 130.3 | -175.1 | -52.1 | 172.9 | 157.3 | 0 | 0 | 114.5 | ||||
| 234 | D | 48.2 | Very low | 47 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 88% | 0.877 | 74% | 0.739 | S | S | * | * | -175.8 | 163.9 | 111.7 | -121.7 | -31 | 0 | 0 | 0 | 116.2 | |||||
| 235 | S | 44.2 | Very low | 48.3 | Very low | 90 Ų | 90 | 139.2 Ų | 139.2 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | trans | 51.2 | 98 | 150.4 | -159.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 236 | D | 47.1 | Very low | 49.4 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | 69.8 | 113 | 129.1 | -61.8 | -34.9 | 0 | 0 | 0 | 125.9 | |||||
| 237 | D | 47.9 | Very low | 50.4 | Low | 153 Ų | 153 | 137.5 Ų | 137.5 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | 95.7 | 149 | 130.4 | -144 | 7.9 | 0 | 0 | 0 | 123.1 | ||||
| 238 | S | 47.1 | Very low | 51 | Low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | 65.3 | 38.6 | 153.5 | -146.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 239 | C | 46.7 | Very low | 51.5 | Low | 129 Ų | 129 | 132.9 Ų | 132.9 | 87% | 0.872 | 74% | 0.736 | S | S | * | * | trans | -102 | 13.2 | 170.2 | -79.8 | 0 | 0 | 0 | 0 | 116 | Y241 | C239-Y241 PolarHBondContact O-N 3.35Š| ||
| 240 | D | 61.2 | Low | 51.9 | Low | 117 Ų | 117 | 129 Ų | 129 | 63% | 0.626 | 73% | 0.733 | S | S | * | * | trans | -84.9 | 71.2 | -178.7 | -167.5 | 37.6 | 0 | 0 | 0 | 112.9 | R247 | D240-R247 PolarHBondContact O-NH2 2.69Å; D240-R247 IonicContact OD1-CZ 2.68Å; D240-R247 IonicContact OD1-NH1 3.19Å; D240-R247 IonicContact OD1-NH2 3.22Å; D240-R247 PolarHBondContact OD1-NH2 2.89Å; D240-R247 IonicContact OD2-CZ 3.9Å; D240-R247 VanDerWaalsContact OD2-CZ 3.24Å; D240-R247 IonicContact OD2-NH1 2.74Å; D240-R247 PolarHBondContact OD2-NH1 3.22Å; D240-R247 IonicContact OD2-NH2 2.93Å; D240-R247 PolarHBondContact OD2-NH2 2.74Å | ||
| 241 | Y | 61.3 | Low | 52.5 | Low | 193 Ų | 193 | 131.4 Ų | 131.4 | 76% | 0.757 | 74% | 0.736 | S | S | * | * | trans | -115.3 | 65.8 | 178.1 | -157.1 | -92.5 | 0 | 0 | 0 | 114.5 | C239 H243 | C239-Y241 PolarHBondContact O-N 3.35Å; Y241-H243 PolarHBondContact O-N 2.99Å | ||
| 242 | L | 71 | Confident | 52.5 | Low | 91 Ų | 91 | 129.8 Ų | 129.8 | 48% | 0.476 | 73% | 0.732 | S | S | . | * | trans | -66.4 | 124.9 | 156.1 | -89.5 | 76.4 | 0 | 0 | 0 | 109.7 | L246 R247 | L242-L246 HydrophobicContact CD2-CB 4.46Å; L242-R247 HydrophobicContact CB-CG 3.5Å; L242-R247 HydrophobicContact CD2-CG 4.33Å; L242-R247 PolarHBondContact O-NE 3.32Å | ||
| 243 | H | 61.3 | Low | 51.9 | Low | 106 Ų | 106 | 130.9 Ų | 130.9 | 49% | 0.491 | 73% | 0.734 | S | S | . | * | trans | -48.2 | 142.9 | 172.7 | -172.5 | -103.1 | 0 | 0 | 0 | 111.8 | Y241 S245 L246 | Y241-H243 PolarHBondContact O-N 2.99Å; H243-S245 PolarHBondContact CE1-OG 3.38Å; H243-S245 VanDerWaalsContact CE1-OG 3.29Å; H243-S245 PolarHBondContact ND1-OG 2.94Å; H243-S245 PolarHBondContact O-N 2.92Å; H243-L246 PolarHBondContact O-N 2.96Å | ||
| 244 | P | 64 | Low | 51.6 | Low | 101 Ų | 101 | 126.5 Ų | 126.5 | 66% | 0.656 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -26 | -172.5 | -29.5 | 36.3 | 0 | 0 | 0 | 115.5 | L246 | P244-L246 VanDerWaalsContact C-N 3.29Å; P244-L246 PolarHBondContact O-N 2.91Å |
| 245 | S | 64.1 | Low | 50.9 | Low | 99 Ų | 99 | 123 Ų | 123 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -10.8 | 176.8 | -41 | 0 | 0 | 0 | 0 | 114.9 | H243 | H243-S245 PolarHBondContact CE1-OG 3.38Å; H243-S245 VanDerWaalsContact CE1-OG 3.29Å; H243-S245 PolarHBondContact ND1-OG 2.94Å; H243-S245 PolarHBondContact O-N 2.92Å |
| 246 | L | 62 | Low | 50.3 | Low | 126 Ų | 126 | 127 Ų | 127 | 66% | 0.66 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | -12 | -171.5 | -73.4 | 166 | 0 | 0 | 0 | 114.2 | L242 H243 P244 G248 | L242-L246 HydrophobicContact CD2-CB 4.46Å; H243-L246 PolarHBondContact O-N 2.96Å; P244-L246 VanDerWaalsContact C-N 3.29Å; P244-L246 PolarHBondContact O-N 2.91Å; L246-G248 PolarHBondContact O-N 3.29Å |
| 247 | R | 62.6 | Low | 49.6 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 44% | 0.442 | 73% | 0.731 | S | S | . | * | trans | -73.8 | 90.8 | 173 | -71.1 | -169.1 | 174 | -92.2 | -16.1 | 110.7 | D240 L242 | D240-R247 PolarHBondContact O-NH2 2.69Å; D240-R247 IonicContact OD1-CZ 2.68Å; D240-R247 IonicContact OD1-NH1 3.19Å; D240-R247 IonicContact OD1-NH2 3.22Å; D240-R247 PolarHBondContact OD1-NH2 2.89Å; D240-R247 IonicContact OD2-CZ 3.9Å; D240-R247 VanDerWaalsContact OD2-CZ 3.24Å; D240-R247 IonicContact OD2-NH1 2.74Å; D240-R247 PolarHBondContact OD2-NH1 3.22Å; D240-R247 IonicContact OD2-NH2 2.93Å; D240-R247 PolarHBondContact OD2-NH2 2.74Å; L242-R247 HydrophobicContact CB-CG 3.5Å; L242-R247 HydrophobicContact CD2-CG 4.33Å; L242-R247 PolarHBondContact O-NE 3.32Å | ||
| 248 | G | 52.1 | Low | 49.2 | Very low | 69 Ų | 69 | 125.4 Ų | 125.4 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | trans | -70.3 | 158.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L246 G250 | L246-G248 PolarHBondContact O-N 3.29Å; G248-G250 PolarHBondContact O-N 3.18Å | ||
| 249 | S | 51.4 | Low | 48.6 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 98% | 0.979 | 74% | 0.739 | S | S | * | * | trans | -72.3 | 80.1 | 175.5 | -69.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 250 | G | 43.3 | Very low | 48.2 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | -97 | 107.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G248 | G248-G250 PolarHBondContact O-N 3.18Š| ||
| 251 | K | 45.4 | Very low | 46.8 | Very low | 195 Ų | 195 | 130.7 Ų | 130.7 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | trans | -152.2 | 141 | 166.7 | -68.1 | -168.8 | 178.7 | -173.2 | 0 | 109 | ||||
| 252 | T | 38.1 | Very low | 45.6 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | cis | -157.6 | 164.7 | -12.6 | 16 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 253 | F | 33 | Very low | 44.1 | Very low | 211 Ų | 211 | 128 Ų | 128 | 93% | 0.925 | 75% | 0.75 | S | S | * | * | trans | -62.8 | 140.7 | 176.7 | -65.8 | -102.6 | 0 | 0 | 0 | 113.4 | ||||
| 254 | A | 32.5 | Very low | 43.2 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | 172.3 | 146.8 | 130 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 255 | A | 31.7 | Very low | 42 | Very low | 90 Ų | 90 | 131 Ų | 131 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | trans | 48.2 | 116.2 | 149.8 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 256 | E | 31.7 | Very low | 40.9 | Very low | 174 Ų | 174 | 134 Ų | 134 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | 57.4 | 125.2 | 128.2 | -60.6 | -174.1 | -172.9 | 0 | 0 | 123.6 | |||||
| 257 | N | 33.9 | Very low | 40.1 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | 70.1 | 135 | 148.2 | -74 | -41.5 | 0 | 0 | 0 | 121.7 | ||||
| 258 | S | 38.7 | Very low | 39.4 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | 80.7 | 148.3 | 163.2 | 79.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 259 | R | 35.2 | Very low | 39.5 | Very low | 231 Ų | 231 | 139 Ų | 139 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -85.8 | 147.4 | -172.1 | 179.5 | -178.1 | 179 | -149.9 | 0 | 109 | ||||
| 260 | P | 37.7 | Very low | 39.7 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | cis | -138.4 | 159.5 | 43 | 33.8 | -13.3 | 0 | 0 | 0 | 118.9 | T262 | P260-T262 PolarHBondContact O-N 2.95Š| ||
| 261 | T | 32.5 | Very low | 39.8 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | trans | -70.2 | 109.4 | 160.3 | 46.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 262 | T | 36.5 | Very low | 40.3 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | -102.9 | 79.9 | 168.8 | -51.6 | 0 | 0 | 0 | 0 | 109.5 | P260 I264 | P260-T262 PolarHBondContact O-N 2.95Å; T262-I264 PolarHBondContact O-N 2.87Å | ||
| 263 | S | 39.2 | Very low | 41 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 117.2 | 169.7 | 52 | 0 | 0 | 0 | 0 | 109.3 | P265 | S263-P265 WeakPolarHBondContact O-CD 3.32Š|
| 264 | I | 41.7 | Very low | 42.2 | Very low | 160 Ų | 160 | 129.4 Ų | 129.4 | 82% | 0.821 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 121 | 175.1 | -60 | 169.4 | 0 | 0 | 0 | 108 | T262 | T262-I264 PolarHBondContact O-N 2.87Š|
| 265 | P | 38.4 | Very low | 43.8 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 71% | 0.714 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 135.6 | 177.3 | 28.7 | -33.2 | 0 | 0 | 0 | 109.6 | S263 | S263-P265 WeakPolarHBondContact O-CD 3.32Š|
| 266 | M | 41.1 | Very low | 45.3 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 143.1 | 158 | -82 | -176.8 | 63.5 | 0 | 0 | 108.7 | Q268 | M266-Q268 PolarHBondContact O-N 3Š|
| 267 | P | 45.6 | Very low | 46.8 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 70% | 0.695 | 71% | 0.713 | S | S | * | * | trans | -62.8 | 112.5 | 175.5 | 26.3 | -33.3 | 0 | 0 | 0 | 109.4 | I269 | P267-I269 PolarHBondContact O-N 3.19Å; P267-I269 VanDerWaalsContact O-N 3.13Å | ||
| 268 | Q | 47.8 | Very low | 48.6 | Very low | 185 Ų | 185 | 124 Ų | 124 | 86% | 0.864 | 68% | 0.68 | S | S | * | * | trans | -72.3 | 103.7 | 166.6 | -66.2 | -166.4 | -94.8 | 0 | 0 | 107.7 | M266 | M266-Q268 PolarHBondContact O-N 3Š| ||
| 269 | I | 53.9 | Low | 50.2 | Low | 124 Ų | 124 | 121.8 Ų | 121.8 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | trans | -85.2 | 111.8 | 171.8 | -58.8 | 174.1 | 0 | 0 | 0 | 106.3 | P267 Y271 | P267-I269 PolarHBondContact O-N 3.19Å; P267-I269 VanDerWaalsContact O-N 3.13Å; I269-Y271 HydrophobicContact CG2-CD2 4.46Å; I269-Y271 PolarHBondContact O-N 3.02Å | ||
| 270 | D | 55.7 | Low | 51.9 | Low | 134 Ų | 134 | 119.5 Ų | 119.5 | 72% | 0.717 | 65% | 0.653 | S | S | * | * | trans | -69.8 | 77.5 | -179 | -81.7 | -19.4 | 0 | 0 | 0 | 111.6 | C272 | D270-C272 PolarHBondContact O-N 3.09Š| ||
| 271 | Y | 45.4 | Very low | 53.7 | Low | 135 Ų | 135 | 116.3 Ų | 116.3 | 53% | 0.529 | 63% | 0.633 | S | S | . | * | trans | -70.7 | 97.9 | -172.8 | -139.4 | -68.7 | 0 | 0 | 0 | 111 | I269 V279 | I269-Y271 HydrophobicContact CG2-CD2 4.46Å; I269-Y271 PolarHBondContact O-N 3.02Å; Y271-V279 HydrophobicContact CE2-CG2 3.7Å; Y271-V279 VanDerWaalsContact OH-CB 3.28Å; Y271-V279 WeakPolarHBondContact OH-CB 3.29Å; Y271-V279 WeakPolarHBondContact OH-CG2 3.39Å | ||
| 272 | C | 55.8 | Low | 55.9 | Low | 40 Ų | 40 | 114 Ų | 114 | 27% | 0.27 | 62% | 0.615 | S | S | . | * | trans | -120.4 | 108.4 | 179.1 | -66.4 | 0 | 0 | 0 | 0 | 109.9 | D270 G274 K275 | D270-C272 PolarHBondContact O-N 3.09Å; C272-G274 PolarHBondContact O-N 2.94Å; C272-K275 HydrophobicContact CB-CB 3.99Å; C272-K275 HydrophobicContact CB-CD 3.45Å; C272-K275 VanDerWaalsContact CB-CD 3.45Å; C272-K275 HydrophobicContact CB-CG 3.62Å; C272-K275 PolarHBondContact O-N 2.92Å; C272-K275 PolarHBondContact SG-NZ 3.43Å | ||
| 273 | L | 53.6 | Low | 58 | Low | 153 Ų | 153 | 112.8 Ų | 112.8 | 80% | 0.801 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | 129.3 | 177.3 | -134.7 | 77.6 | 0 | 0 | 0 | 110.3 | K275 D278 | L273-K275 VanDerWaalsContact C-N 3.34Å; L273-D278 WeakPolarHBondContact CA-OD2 3.44Å; L273-D278 WeakPolarHBondContact CD1-OD2 3.32Å |
| 274 | G | 58.4 | Low | 59.9 | Low | 80 Ų | 80 | 111.3 Ų | 111.3 | 83% | 0.825 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.5 | 4.5 | -178 | 0 | 0 | 0 | 0 | 0 | 116.1 | C272 | C272-G274 PolarHBondContact O-N 2.94Š|
| 275 | K | 64.4 | Low | 61.8 | Low | 125 Ų | 125 | 108.3 Ų | 108.3 | 54% | 0.543 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -89.8 | 160.5 | 161.2 | -64.9 | -168.7 | -166.3 | 161.9 | 0 | 110.8 | C272 L273 N277 D278 S281 | C272-K275 HydrophobicContact CB-CB 3.99Å; C272-K275 HydrophobicContact CB-CD 3.45Å; C272-K275 VanDerWaalsContact CB-CD 3.45Å; C272-K275 HydrophobicContact CB-CG 3.62Å; C272-K275 PolarHBondContact O-N 2.92Å; C272-K275 PolarHBondContact SG-NZ 3.43Å; L273-K275 VanDerWaalsContact C-N 3.34Å; K275-N277 PolarHBondContact O-N 2.81Å; K275-D278 PolarHBondContact O-N 3.16Å; K275-S281 PolarHBondContact O-OG 3.13Å |
| 276 | E | 64.2 | Low | 63.9 | Low | 154 Ų | 154 | 104.5 Ų | 104.5 | 72% | 0.72 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -3.8 | -179.1 | 64.6 | -159.1 | 123.4 | 0 | 0 | 115.7 | S281 K285 | E276-S281 WeakPolarHBondContact O-CB 3.45Å; E276-K285 WeakPolarHBondContact O-CE 3.01Å; E276-K285 PolarHBondContact O-NZ 3.4Å |
| 277 | N | 63.9 | Low | 65.6 | Low | 100 Ų | 100 | 99.9 Ų | 99.9 | 54% | 0.535 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 13.2 | -179.2 | -58.4 | -23.9 | 0 | 0 | 0 | 113.5 | K275 | K275-N277 PolarHBondContact O-N 2.81Š|
| 278 | D | 72 | Confident | 67.4 | Low | 15 Ų | 15 | 96.5 Ų | 96.5 | 8% | 0.08 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -64.9 | 147.4 | 170.3 | -165.4 | -39.3 | 0 | 0 | 0 | 110.5 | L273 K275 Y280 S281 D282 | L273-D278 WeakPolarHBondContact CA-OD2 3.44Å; L273-D278 WeakPolarHBondContact CD1-OD2 3.32Å; K275-D278 PolarHBondContact O-N 3.16Å; D278-Y280 PolarHBondContact O-N 3Å; D278-Y280 PolarHBondContact OD1-N 3.3Å; D278-S281 CarbonylContact O-C 3.55Å; D278-S281 VanDerWaalsContact O-CA 3.3Å; D278-S281 WeakPolarHBondContact O-CA 3.04Å; D278-S281 VanDerWaalsContact O-CB 3.23Å; D278-S281 WeakPolarHBondContact O-CB 3.46Å; D278-S281 PolarHBondContact O-N 3.37Å; D278-D282 PolarHBondContact O-N 2.92Å |
| 279 | V | 70.9 | Confident | 68.8 | Low | 80 Ų | 80 | 91.7 Ų | 91.7 | 49% | 0.485 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.1 | -27.7 | 170.7 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | Y271 S281 D282 L283 | Y271-V279 HydrophobicContact CE2-CG2 3.7Å; Y271-V279 VanDerWaalsContact OH-CB 3.28Å; Y271-V279 WeakPolarHBondContact OH-CB 3.29Å; Y271-V279 WeakPolarHBondContact OH-CG2 3.39Å; V279-S281 VanDerWaalsContact C-N 3.3Å; V279-S281 PolarHBondContact O-N 3.23Å; V279-D282 PolarHBondContact O-N 3.2Å; V279-L283 WeakPolarHBondContact O-CB 3.47Å; V279-L283 PolarHBondContact O-N 3.01Å |
| 280 | Y | 70.4 | Confident | 69.9 | Low | 183 Ų | 183 | 91.7 Ų | 91.7 | 72% | 0.718 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.5 | -33.9 | 169.7 | -127.6 | -75.2 | 0 | 0 | 0 | 112.5 | D278 Y284 | D278-Y280 PolarHBondContact O-N 3Å; D278-Y280 PolarHBondContact OD1-N 3.3Å; Y280-Y284 VanDerWaalsContact O-CB 3.29Å; Y280-Y284 WeakPolarHBondContact O-CB 3.05Å; Y280-Y284 PolarHBondContact O-N 3.42Å |
| 281 | S | 77.1 | Confident | 70.8 | Confident | 34 Ų | 34 | 90.8 Ų | 90.8 | 24% | 0.238 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -72.2 | -39.5 | 172.9 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | K275 E276 D278 V279 Y284 K285 | K275-S281 PolarHBondContact O-OG 3.13Å; E276-S281 WeakPolarHBondContact O-CB 3.45Å; D278-S281 CarbonylContact O-C 3.55Å; D278-S281 VanDerWaalsContact O-CA 3.3Å; D278-S281 WeakPolarHBondContact O-CA 3.04Å; D278-S281 VanDerWaalsContact O-CB 3.23Å; D278-S281 WeakPolarHBondContact O-CB 3.46Å; D278-S281 PolarHBondContact O-N 3.37Å; V279-S281 VanDerWaalsContact C-N 3.3Å; V279-S281 PolarHBondContact O-N 3.23Å; S281-Y284 PolarHBondContact O-N 3.44Å; S281-K285 VanDerWaalsContact O-CG 3.22Å; S281-K285 WeakPolarHBondContact O-CG 3.28Å; S281-K285 PolarHBondContact O-N 3.03Å |
| 282 | D | 78.3 | Confident | 72.4 | Confident | 84 Ų | 84 | 88.8 Ų | 88.8 | 45% | 0.449 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.3 | -35.4 | 178.2 | -73.3 | -11.9 | 0 | 0 | 0 | 112.7 | D278 V279 Y284 K285 G286 | D278-D282 PolarHBondContact O-N 2.92Å; V279-D282 PolarHBondContact O-N 3.2Å; D282-Y284 VanDerWaalsContact C-N 3.35Å; D282-K285 PolarHBondContact O-N 2.78Å; D282-K285 WeakPolarHBondContact OD1-CD 3.19Å; D282-K285 WeakPolarHBondContact OD1-CE 3.43Å; D282-K285 IonicContact OD1-NZ 2.76Å; D282-K285 PolarHBondContact OD1-NZ 3.31Å; D282-G286 PolarHBondContact O-N 3.03Å |
| 283 | L | 79.9 | Confident | 73 | Confident | 97 Ų | 97 | 92.5 Ų | 92.5 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 167.7 | 177.1 | 60.1 | 0 | 0 | 0 | 111 | V279 G286 L287 | V279-L283 WeakPolarHBondContact O-CB 3.47Å; V279-L283 PolarHBondContact O-N 3.01Å; L283-G286 PolarHBondContact O-N 3.24Å; L283-L287 HydrophobicContact CD1-CD1 4.21Å; L283-L287 HydrophobicContact CG-CD1 4.15Å; L283-L287 WeakPolarHBondContact O-CB 3.41Å; L283-L287 PolarHBondContact O-N 2.79Å |
| 284 | Y | 79.6 | Confident | 73.5 | Confident | 73 Ų | 73 | 88.5 Ų | 88.5 | 29% | 0.286 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 174.9 | 179.6 | -106.1 | 0 | 0 | 0 | 112.4 | Y280 S281 D282 G286 L287 V288 L294 K298 | Y280-Y284 VanDerWaalsContact O-CB 3.29Å; Y280-Y284 WeakPolarHBondContact O-CB 3.05Å; Y280-Y284 PolarHBondContact O-N 3.42Å; S281-Y284 PolarHBondContact O-N 3.44Å; D282-Y284 VanDerWaalsContact C-N 3.35Å; Y284-G286 VanDerWaalsContact C-N 3.33Å; Y284-G286 PolarHBondContact O-N 2.92Å; Y284-L287 PolarHBondContact O-N 2.83Å; Y284-V288 HydrophobicContact CD1-CG2 4.3Å; Y284-V288 HydrophobicContact CD2-CG2 4.22Å; Y284-V288 HydrophobicContact CE1-CG2 3.88Å; Y284-V288 HydrophobicContact CE2-CG2 3.78Å; Y284-V288 HydrophobicContact CG-CG2 4.46Å; Y284-V288 WeakPolarHBondContact O-CB 3.39Å; Y284-V288 VanDerWaalsContact O-CG2 3.3Å; Y284-V288 WeakPolarHBondContact O-CG2 3.41Å; Y284-V288 PolarHBondContact O-N 2.91Å; Y284-L294 PolarHBondContact OH-O 3.4Å; Y284-K298 PolarHBondContact OH-NZ 2.97Å |
| 285 | K | 81.9 | Confident | 73.9 | Confident | 97 Ų | 97 | 87.2 Ų | 87.2 | 42% | 0.422 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 171.9 | -70.4 | 165 | -153.9 | 164.5 | 0 | 111.1 | E276 S281 D282 V288 A289 | E276-K285 WeakPolarHBondContact O-CE 3.01Å; E276-K285 PolarHBondContact O-NZ 3.4Å; S281-K285 VanDerWaalsContact O-CG 3.22Å; S281-K285 WeakPolarHBondContact O-CG 3.28Å; S281-K285 PolarHBondContact O-N 3.03Å; D282-K285 PolarHBondContact O-N 2.78Å; D282-K285 WeakPolarHBondContact OD1-CD 3.19Å; D282-K285 WeakPolarHBondContact OD1-CE 3.43Å; D282-K285 IonicContact OD1-NZ 2.76Å; D282-K285 PolarHBondContact OD1-NZ 3.31Å; K285-V288 PolarHBondContact O-N 3.27Å; K285-A289 VanDerWaalsContact O-CB 3.32Å; K285-A289 WeakPolarHBondContact O-CB 3.43Å; K285-A289 PolarHBondContact O-N 3.17Å |
| 286 | G | 82.6 | Confident | 73.9 | Confident | 31 Ų | 31 | 85.9 Ų | 85.9 | 32% | 0.32 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D282 L283 Y284 V288 A289 I290 | D282-G286 PolarHBondContact O-N 3.03Å; L283-G286 PolarHBondContact O-N 3.24Å; Y284-G286 VanDerWaalsContact C-N 3.33Å; Y284-G286 PolarHBondContact O-N 2.92Å; G286-V288 PolarHBondContact O-N 3.27Å; G286-A289 PolarHBondContact O-N 3.27Å; G286-I290 WeakPolarHBondContact O-CG1 3.42Å; G286-I290 PolarHBondContact O-N 2.88Å |
| 287 | L | 76.7 | Confident | 73.5 | Confident | 66 Ų | 66 | 83.1 Ų | 83.1 | 35% | 0.346 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 173.8 | -88.2 | 159.4 | 0 | 0 | 0 | 112.2 | L283 Y284 A289 I290 F291 | L283-L287 HydrophobicContact CD1-CD1 4.21Å; L283-L287 HydrophobicContact CG-CD1 4.15Å; L283-L287 WeakPolarHBondContact O-CB 3.41Å; L283-L287 PolarHBondContact O-N 2.79Å; Y284-L287 PolarHBondContact O-N 2.83Å; L287-A289 VanDerWaalsContact C-N 3.34Å; L287-I290 PolarHBondContact O-N 3.47Å; L287-F291 HydrophobicContact CD2-CD2 3.99Å; L287-F291 HydrophobicContact CD2-CE2 4.17Å; L287-F291 WeakPolarHBondContact O-CA 3.18Å; L287-F291 WeakPolarHBondContact O-CB 3.41Å; L287-F291 PolarHBondContact O-N 3.18Å |
| 288 | V | 83.1 | Confident | 72.9 | Confident | 36 Ų | 36 | 85.5 Ų | 85.5 | 22% | 0.218 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -69.4 | -30.7 | 175.5 | 168 | 0 | 0 | 0 | 0 | 112.1 | Y284 K285 G286 F291 P292 L294 A295 | Y284-V288 HydrophobicContact CD1-CG2 4.3Å; Y284-V288 HydrophobicContact CD2-CG2 4.22Å; Y284-V288 HydrophobicContact CE1-CG2 3.88Å; Y284-V288 HydrophobicContact CE2-CG2 3.78Å; Y284-V288 HydrophobicContact CG-CG2 4.46Å; Y284-V288 WeakPolarHBondContact O-CB 3.39Å; Y284-V288 VanDerWaalsContact O-CG2 3.3Å; Y284-V288 WeakPolarHBondContact O-CG2 3.41Å; Y284-V288 PolarHBondContact O-N 2.91Å; K285-V288 PolarHBondContact O-N 3.27Å; G286-V288 PolarHBondContact O-N 3.27Å; V288-F291 CarbonylContact O-C 3.41Å; V288-P292 VanDerWaalsContact O-CA 3.28Å; V288-P292 WeakPolarHBondContact O-CA 3.41Å; V288-L294 HydrophobicContact CG2-CB 3.98Å; V288-A295 HydrophobicContact CG1-CB 4.02Å |
| 289 | A | 77.3 | Confident | 71.5 | Confident | 85 Ų | 85 | 90 Ų | 90 | 70% | 0.702 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -72.7 | -26.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K285 G286 L287 | K285-A289 VanDerWaalsContact O-CB 3.32Å; K285-A289 WeakPolarHBondContact O-CB 3.43Å; K285-A289 PolarHBondContact O-N 3.17Å; G286-A289 PolarHBondContact O-N 3.27Å; L287-A289 VanDerWaalsContact C-N 3.34Å |
| 290 | I | 76.9 | Confident | 70 | Confident | 124 Ų | 124 | 95.6 Ų | 95.6 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -89.8 | -36.5 | 175.5 | -61.4 | 164.3 | 0 | 0 | 0 | 111 | G286 L287 | G286-I290 WeakPolarHBondContact O-CG1 3.42Å; G286-I290 PolarHBondContact O-N 2.88Å; L287-I290 PolarHBondContact O-N 3.47Å |
| 291 | F | 75.5 | Confident | 68.2 | Low | 115 Ų | 115 | 94.4 Ų | 94.4 | 50% | 0.504 | 53% | 0.525 | S | S | . | . | trans | -130.4 | 81.9 | -176.4 | -56.4 | -83 | 0 | 0 | 0 | 110.1 | L287 V288 E293 L294 | L287-F291 HydrophobicContact CD2-CD2 3.99Å; L287-F291 HydrophobicContact CD2-CE2 4.17Å; L287-F291 WeakPolarHBondContact O-CA 3.18Å; L287-F291 WeakPolarHBondContact O-CB 3.41Å; L287-F291 PolarHBondContact O-N 3.18Å; V288-F291 CarbonylContact O-C 3.41Å; F291-E293 PolarHBondContact O-N 3.21Å; F291-L294 HydrophobicContact CB-CD1 3.48Å; F291-L294 VanDerWaalsContact CB-CD1 3.48Å; F291-L294 HydrophobicContact CG-CD1 4.27Å; F291-L294 PolarHBondContact O-N 3.14Å; F291-L294 VanDerWaalsContact O-N 3.08Å | ||
| 292 | P | 77.6 | Confident | 66.3 | Low | 92 Ų | 92 | 101.7 Ų | 101.7 | 60% | 0.597 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -21 | -175.2 | 20.9 | -32.5 | 0 | 0 | 0 | 114.5 | V288 L294 A295 | V288-P292 VanDerWaalsContact O-CA 3.28Å; V288-P292 WeakPolarHBondContact O-CA 3.41Å; P292-L294 PolarHBondContact O-N 2.94Å; P292-A295 WeakPolarHBondContact O-CB 3.44Å; P292-A295 PolarHBondContact O-N 2.88Å |
| 293 | E | 68.3 | Low | 64.1 | Low | 119 Ų | 119 | 104.2 Ų | 104.2 | 56% | 0.556 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59.3 | -25.7 | 174.5 | -62.1 | -168.8 | 171.2 | 0 | 0 | 113.6 | F291 A295 S296 S327 | F291-E293 PolarHBondContact O-N 3.21Å; E293-A295 PolarHBondContact O-N 2.92Å; E293-S296 PolarHBondContact O-N 3.48Å; E293-S296 VanDerWaalsContact O-N 3.11Å; E293-S327 WeakPolarHBondContact OE2-CB 3.33Å; E293-S327 PolarHBondContact OE2-OG 3.23Å |
| 294 | L | 64.9 | Low | 61.8 | Low | 69 Ų | 69 | 109 Ų | 109 | 36% | 0.361 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.2 | -6.7 | 174.9 | -82.9 | 103.5 | 0 | 0 | 0 | 114.4 | Y284 V288 F291 P292 | Y284-L294 PolarHBondContact OH-O 3.4Å; V288-L294 HydrophobicContact CG2-CB 3.98Å; F291-L294 HydrophobicContact CB-CD1 3.48Å; F291-L294 VanDerWaalsContact CB-CD1 3.48Å; F291-L294 HydrophobicContact CG-CD1 4.27Å; F291-L294 PolarHBondContact O-N 3.14Å; F291-L294 VanDerWaalsContact O-N 3.08Å; P292-L294 PolarHBondContact O-N 2.94Å |
| 295 | A | 67.4 | Low | 59.5 | Low | 53 Ų | 53 | 108.8 Ų | 108.8 | 44% | 0.438 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -84 | -35.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V288 P292 E293 S297 | V288-A295 HydrophobicContact CG1-CB 4.02Å; P292-A295 WeakPolarHBondContact O-CB 3.44Å; P292-A295 PolarHBondContact O-N 2.88Å; E293-A295 PolarHBondContact O-N 2.92Å; A295-S297 PolarHBondContact O-N 2.89Å |
| 296 | S | 63.3 | Low | 57.3 | Low | 96 Ų | 96 | 113.3 Ų | 113.3 | 67% | 0.671 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -77.1 | -19.5 | -171.2 | -62.6 | 0 | 0 | 0 | 0 | 114.6 | E293 K298 | E293-S296 PolarHBondContact O-N 3.48Å; E293-S296 VanDerWaalsContact O-N 3.11Å; S296-K298 VanDerWaalsContact C-N 3.26Å; S296-K298 PolarHBondContact O-N 3.23Å |
| 297 | S | 56.4 | Low | 55.1 | Low | 97 Ų | 97 | 117.7 Ų | 117.7 | 68% | 0.678 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 6.2 | -173.9 | 57.4 | 0 | 0 | 0 | 0 | 115.6 | A295 | A295-S297 PolarHBondContact O-N 2.89Š|
| 298 | K | 50.7 | Low | 53 | Low | 150 Ų | 150 | 123 Ų | 123 | 65% | 0.652 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 0.8 | -167.4 | -112.1 | 169.8 | -178.4 | 164.8 | 0 | 116.8 | Y284 S296 | Y284-K298 PolarHBondContact OH-NZ 2.97Å; S296-K298 VanDerWaalsContact C-N 3.26Å; S296-K298 PolarHBondContact O-N 3.23Å |
| 299 | S | 42.3 | Very low | 50.8 | Low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -105.7 | 34.9 | -165.7 | 51.9 | 0 | 0 | 0 | 0 | 115.8 | ||
| 300 | K | 39.9 | Very low | 48.8 | Very low | 198 Ų | 198 | 130 Ų | 130 | 86% | 0.861 | 72% | 0.715 | S | S | * | * | trans | -147.5 | 36.4 | 179.3 | -147.3 | 172 | -178.3 | 173.5 | 0 | 117.9 | ||||
| 301 | I | 33 | Very low | 46.7 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 81% | 0.81 | 72% | 0.723 | S | S | * | * | trans | -138.5 | 82 | 167.9 | -48.6 | 179 | 0 | 0 | 0 | 111.4 | ||||
| 302 | Q | 37.5 | Very low | 44.8 | Very low | 187 Ų | 187 | 130.1 Ų | 130.1 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | trans | -171.2 | 157 | 153.5 | -112.8 | 148.7 | 104 | 0 | 0 | 111.7 | ||||
| 303 | T | 32.3 | Very low | 42.9 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | trans | 69.7 | 107 | 171.5 | -41.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 304 | E | 31.6 | Very low | 41.5 | Very low | 198 Ų | 198 | 133.2 Ų | 133.2 | 93% | 0.925 | 74% | 0.738 | S | S | * | * | trans | -77.6 | 137.7 | 161.5 | -55.8 | 168.6 | 139.6 | 0 | 0 | 109 | ||||
| 305 | G | 31.3 | Very low | 40 | Very low | 68 Ų | 68 | 137.9 Ų | 137.9 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 160.2 | 84.9 | 172 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 306 | Q | 35.9 | Very low | 38.4 | Very low | 192 Ų | 192 | 139.8 Ų | 139.8 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | trans | 64.4 | 162.3 | 147.5 | -59.5 | -178.2 | -12.2 | 0 | 0 | 120.7 | ||||
| 307 | S | 36.3 | Very low | 36.9 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | 73 | 124.3 | 171.8 | 65.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 308 | E | 32.2 | Very low | 35.9 | Very low | 178 Ų | 178 | 147.8 Ų | 147.8 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -101.6 | 146.5 | 170.5 | -52.9 | 166.1 | 146.4 | 0 | 0 | 108 | ||||
| 309 | Q | 36 | Very low | 35.2 | Very low | 183 Ų | 183 | 145.1 Ų | 145.1 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | 169.2 | 126.6 | 120.9 | -92.5 | 178 | -2.9 | 0 | 0 | 114.1 | |||||
| 310 | A | 35.8 | Very low | 34.9 | Very low | 84 Ų | 84 | 146.4 Ų | 146.4 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | trans | 42.6 | 137 | 137.3 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 311 | S | 33.9 | Very low | 34.7 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 73.1 | 148.4 | 140.4 | 67.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 312 | N | 34.6 | Very low | 34.8 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 66% | 0.663 | 80% | 0.795 | S | S | * | * | cis | -167.2 | 140.7 | -30.9 | -163.8 | 35.4 | 0 | 0 | 0 | 109.2 | ||||
| 313 | E | 38.2 | Very low | 34.9 | Very low | 141 Ų | 141 | 141 Ų | 141 | 66% | 0.659 | 80% | 0.795 | S | S | * | * | trans | 58.2 | 164.9 | 159 | -75.9 | 171.8 | -131.6 | 0 | 0 | 117.3 | ||||
| 314 | Q | 39 | Very low | 35 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | cis | -159.7 | 151.5 | -1 | -128.2 | 177.2 | 47.2 | 0 | 0 | 108.5 | ||||
| 315 | H | 32.9 | Very low | 35.4 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | 57.8 | 146.7 | 158.5 | -67.7 | -62.8 | 0 | 0 | 0 | 119.3 | ||||
| 316 | S | 33.8 | Very low | 36 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | cis | -163.2 | 160.2 | 24.1 | 44.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 317 | N | 32.1 | Very low | 35.9 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | trans | 50.3 | 110.5 | 147.5 | -53.6 | -12.6 | 0 | 0 | 0 | 120.8 | ||||
| 318 | E | 34.5 | Very low | 36.3 | Very low | 205 Ų | 205 | 136.1 Ų | 136.1 | 96% | 0.958 | 75% | 0.751 | S | S | * | * | trans | -143.7 | 165.2 | 147.8 | -153.7 | 158.7 | -140.5 | 0 | 0 | 111.1 | ||||
| 319 | A | 36.4 | Very low | 36.3 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 78% | 0.777 | 74% | 0.735 | S | S | * | * | trans | -90.6 | 157.5 | -158.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 320 | V | 35.6 | Very low | 36.3 | Very low | 136 Ų | 136 | 125 Ų | 125 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | trans | -69.8 | 132.2 | -178.7 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 321 | S | 36.7 | Very low | 36.6 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | -149.9 | 125.5 | 167.2 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | N323 | S321-N323 PolarHBondContact O-N 3.35Š| ||
| 322 | D | 34.1 | Very low | 36.9 | Very low | 150 Ų | 150 | 128 Ų | 128 | 80% | 0.802 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -83.8 | 103.5 | -166.3 | -71.5 | -59.6 | 0 | 0 | 0 | 113.8 | ||
| 323 | N | 40.3 | Very low | 37.5 | Very low | 162 Ų | 162 | 125.3 Ų | 125.3 | 87% | 0.866 | 72% | 0.718 | S | S | * | * | trans | -157.4 | 24.8 | 152 | -132.3 | -2.4 | 0 | 0 | 0 | 115.7 | S321 L325 | S321-N323 PolarHBondContact O-N 3.35Å; N323-L325 PolarHBondContact O-N 3Å; N323-L325 VanDerWaalsContact O-N 3.1Å | ||
| 324 | S | 34.7 | Very low | 37.9 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | trans | -76.8 | 100.3 | -176.4 | -167.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 325 | L | 38.4 | Very low | 38.4 | Very low | 94 Ų | 94 | 123.5 Ų | 123.5 | 49% | 0.492 | 71% | 0.707 | S | S | . | * | S | Bend | trans | -147.7 | 105.1 | 163 | -148.2 | 73.2 | 0 | 0 | 0 | 112.4 | N323 | N323-L325 PolarHBondContact O-N 3Å; N323-L325 VanDerWaalsContact O-N 3.1Å |
| 326 | Y | 44.8 | Very low | 39.3 | Very low | 164 Ų | 164 | 122.8 Ų | 122.8 | 64% | 0.643 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 83.6 | 43.7 | 171.1 | -50.1 | -60.7 | 0 | 0 | 0 | 119.6 | K389 | Y326-K389 PolarHBondContact OH-NZ 3.47Š|
| 327 | S | 33.9 | Very low | 40.4 | Very low | 79 Ų | 79 | 122.8 Ų | 122.8 | 55% | 0.552 | 70% | 0.704 | S | S | * | * | trans | -101.5 | 80.4 | 145.7 | -112.8 | 0 | 0 | 0 | 0 | 110 | E293 | E293-S327 WeakPolarHBondContact OE2-CB 3.33Å; E293-S327 PolarHBondContact OE2-OG 3.23Å | ||
| 328 | M | 44.9 | Very low | 42.1 | Very low | 158 Ų | 158 | 116.5 Ų | 116.5 | 78% | 0.778 | 67% | 0.671 | S | S | * | * | trans | -151.2 | 115.5 | 178.2 | -78.9 | -56.4 | -69.8 | 0 | 0 | 114.7 | N332 | M328-N332 PolarHBondContact O-ND2 2.94Š| ||
| 329 | G | 31.8 | Very low | 44 | Very low | 48 Ų | 48 | 109.3 Ų | 109.3 | 50% | 0.495 | 64% | 0.641 | S | S | . | * | trans | 55.3 | 124 | 137.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | E331 N332 | G329-E331 PolarHBondContact O-N 3.21Å; G329-N332 PolarHBondContact O-ND2 3.38Å; G329-N332 VanDerWaalsContact O-ND2 3.16Å | ||
| 330 | G | 36.5 | Very low | 46 | Very low | 81 Ų | 81 | 108.6 Ų | 108.6 | 84% | 0.835 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -65.8 | 1.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | N332 | G330-N332 VanDerWaalsContact C-N 3.33Š|
| 331 | E | 40.6 | Very low | 48.2 | Very low | 178 Ų | 178 | 102.7 Ų | 102.7 | 83% | 0.832 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -75.3 | -22.9 | 179.1 | -66.1 | 167.4 | -141.9 | 0 | 0 | 112.6 | G329 A333 | G329-E331 PolarHBondContact O-N 3.21Å; E331-A333 PolarHBondContact O-N 3.48Å; E331-A333 VanDerWaalsContact O-N 3.09Å |
| 332 | N | 40.9 | Very low | 50.6 | Low | 84 Ų | 84 | 99.3 Ų | 99.3 | 45% | 0.449 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -72.8 | 2.9 | -177 | -67.3 | -66.2 | 0 | 0 | 0 | 114.7 | M328 G329 G330 K334 H335 | M328-N332 PolarHBondContact O-ND2 2.94Å; G329-N332 PolarHBondContact O-ND2 3.38Å; G329-N332 VanDerWaalsContact O-ND2 3.16Å; G330-N332 VanDerWaalsContact C-N 3.33Å; N332-K334 PolarHBondContact O-N 3.46Å; N332-K334 VanDerWaalsContact O-N 3.17Å; N332-H335 WeakPolarHBondContact O-CA 3.43Å; N332-H335 WeakPolarHBondContact O-CB 3.3Å; N332-H335 PolarHBondContact O-N 3.27Å |
| 333 | A | 46.9 | Very low | 53 | Low | 69 Ų | 69 | 96.9 Ų | 96.9 | 57% | 0.57 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -58.6 | -30.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | E331 H335 | E331-A333 PolarHBondContact O-N 3.48Å; E331-A333 VanDerWaalsContact O-N 3.09Å; A333-H335 PolarHBondContact O-N 2.84Å |
| 334 | K | 47 | Very low | 55.2 | Low | 192 Ų | 192 | 95.6 Ų | 95.6 | 84% | 0.835 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -61.8 | -23.1 | 173 | -63.3 | 176.7 | -176.5 | 171.5 | 0 | 113.1 | N332 | N332-K334 PolarHBondContact O-N 3.46Å; N332-K334 VanDerWaalsContact O-N 3.17Å |
| 335 | H | 49.4 | Very low | 57.7 | Low | 46 Ų | 46 | 93 Ų | 93 | 21% | 0.213 | 53% | 0.53 | C | S | . | . | G | 310 helix | trans | -92.3 | -13 | -167.9 | -153.8 | 65.2 | 0 | 0 | 0 | 114.3 | N332 A333 V337 Y385 S386 | N332-H335 WeakPolarHBondContact O-CA 3.43Å; N332-H335 WeakPolarHBondContact O-CB 3.3Å; N332-H335 PolarHBondContact O-N 3.27Å; A333-H335 PolarHBondContact O-N 2.84Å; H335-V337 PolarHBondContact O-N 2.93Å; H335-Y385 AromaticContact CE1-CD1 3.1Å; H335-Y385 WeakPolarHBondContact CE1-CD1 3.31Å; H335-Y385 AromaticContact CE1-CG 3.66Å; H335-Y385 AromaticContact ND1-CD1 4Å; H335-Y385 AromaticContact NE2-CD1 3.31Å; H335-Y385 VanDerWaalsContact NE2-CD1 3.31Å; H335-Y385 WeakPolarHBondContact NE2-CD1 3.39Å; H335-Y385 AromaticContact NE2-CE1 3.87Å; H335-Y385 AromaticContact NE2-CG 3.98Å; H335-S386 VanDerWaalsContact CE1-CA 3.45Å; H335-S386 WeakPolarHBondContact CE1-CA 3.39Å; H335-S386 PolarHBondContact CE1-N 3.16Å; H335-S386 WeakPolarHBondContact NE2-CA 3.42Å; H335-S386 PolarHBondContact NE2-N 3.37Å; H335-S386 WeakPolarHBondContact O-CB 3.34Å |
| 336 | L | 51.8 | Low | 60 | Low | 152 Ų | 152 | 92.1 Ų | 92.1 | 80% | 0.796 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -80.8 | -6.6 | 177.3 | -56.4 | 179.5 | 0 | 0 | 0 | 112.6 | ||
| 337 | V | 57.4 | Low | 62.2 | Low | 94 Ų | 94 | 87.3 Ų | 87.3 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -95.1 | 117.9 | 172.2 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | H335 V339 S386 | H335-V337 PolarHBondContact O-N 2.93Å; V337-V339 HydrophobicContact CG1-CG2 4.44Å; V337-V339 PolarHBondContact O-N 3.35Å; V337-V339 VanDerWaalsContact O-N 3.16Å; V337-S386 PolarHBondContact O-OG 3.13Å |
| 338 | V | 68.4 | Low | 65 | Low | 24 Ų | 24 | 85.3 Ų | 85.3 | 15% | 0.145 | 50% | 0.497 | C | S | . | . | trans | -78.8 | 97.3 | 173.1 | 179.6 | 0 | 0 | 0 | 0 | 108.7 | Y387 I423 F425 P426 | V338-Y387 HydrophobicContact CG1-CD2 3.85Å; V338-Y387 HydrophobicContact CG1-CG 4.49Å; V338-I423 HydrophobicContact CG2-CG2 3.96Å; V338-F425 HydrophobicContact CG1-CD1 3.97Å; V338-F425 HydrophobicContact CG1-CE1 4.28Å; V338-P426 WeakPolarHBondContact O-CG 3.48Å | ||
| 339 | V | 73.8 | Confident | 67.3 | Low | 53 Ų | 53 | 77.8 Ų | 77.8 | 32% | 0.321 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 123.8 | 173.3 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | V337 Y384 | V337-V339 HydrophobicContact CG1-CG2 4.44Å; V337-V339 PolarHBondContact O-N 3.35Å; V337-V339 VanDerWaalsContact O-N 3.16Å; V339-Y384 HydrophobicContact CG1-CD1 4.42Å; V339-Y384 HydrophobicContact CG1-CE1 4.02Å |
| 340 | P | 78 | Confident | 70.2 | Confident | 79 Ų | 79 | 77.1 Ų | 77.1 | 51% | 0.513 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 126.6 | 176.6 | 26.5 | -33.1 | 0 | 0 | 0 | 110 | ||
| 341 | P | 82.4 | Confident | 72.9 | Confident | 12 Ų | 12 | 80.6 Ų | 80.6 | 8% | 0.078 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 152.7 | 179.6 | 29 | -34.7 | 0 | 0 | 0 | 112 | L345 Q346 I349 Y384 Y387 | P341-L345 HydrophobicContact CB-CB 4.45Å; P341-Q346 HydrophobicContact CG-CB 3.89Å; P341-Q346 HydrophobicContact CG-CG 4.01Å; P341-I349 HydrophobicContact CB-CD1 3.47Å; P341-I349 VanDerWaalsContact CB-CD1 3.47Å; P341-I349 HydrophobicContact CG-CD1 3.77Å; P341-Y384 HydrophobicContact CB-CD1 3.87Å; P341-Y384 HydrophobicContact CB-CE1 4.29Å; P341-Y384 HydrophobicContact CB-CG 4.24Å; P341-Y387 HydrophobicContact CG-CD1 3.77Å; P341-Y387 HydrophobicContact CG-CD2 4.09Å; P341-Y387 HydrophobicContact CG-CE1 3.79Å; P341-Y387 HydrophobicContact CG-CE2 4.1Å; P341-Y387 HydrophobicContact CG-CG 3.93Å |
| 342 | P | 86.1 | Confident | 75.4 | Confident | 47 Ų | 47 | 72.7 Ų | 72.7 | 31% | 0.305 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -51.4 | 148.4 | 169.6 | -28.2 | 34.3 | 0 | 0 | 0 | 112.9 | D344 L345 Q346 Y384 | P342-D344 PolarHBondContact O-N 3.09Å; P342-D344 VanDerWaalsContact O-N 3.09Å; P342-L345 HydrophobicContact CG-CD1 4.22Å; P342-L345 PolarHBondContact O-N 3.03Å; P342-Q346 PolarHBondContact O-N 3.41Å; P342-Y384 VanDerWaalsContact CD-CZ 3.45Å; P342-Y384 WeakPolarHBondContact CD-OH 3.38Å |
| 343 | P | 84.1 | Confident | 77.9 | Confident | 100 Ų | 100 | 68.7 Ų | 68.7 | 65% | 0.649 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -20.6 | -174.8 | 25.3 | -35.1 | 0 | 0 | 0 | 114.2 | P347 | P343-P347 WeakPolarHBondContact O-CD 3.45Š|
| 344 | D | 86.8 | Confident | 80.1 | Confident | 135 Ų | 135 | 68.4 Ų | 68.4 | 72% | 0.722 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -30.7 | 174 | -52.3 | -54.2 | 0 | 0 | 0 | 112.7 | P342 | P342-D344 PolarHBondContact O-N 3.09Å; P342-D344 VanDerWaalsContact O-N 3.09Å |
| 345 | L | 86.8 | Confident | 82.3 | Confident | 64 Ų | 64 | 65 Ų | 65 | 34% | 0.335 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -36.5 | 179.4 | -68.5 | -179.8 | 0 | 0 | 0 | 111.7 | P341 P342 T348 I349 Y384 | P341-L345 HydrophobicContact CB-CB 4.45Å; P342-L345 HydrophobicContact CG-CD1 4.22Å; P342-L345 PolarHBondContact O-N 3.03Å; L345-T348 WeakPolarHBondContact O-CA 3.45Å; L345-T348 WeakPolarHBondContact O-CB 3.46Å; L345-T348 PolarHBondContact O-N 3.36Å; L345-I349 HydrophobicContact CB-CD1 4.2Å; L345-I349 WeakPolarHBondContact O-CG1 3.24Å; L345-I349 PolarHBondContact O-N 3.47Å; L345-Y384 HydrophobicContact CD1-CD2 4.2Å; L345-Y384 HydrophobicContact CD1-CE2 3.95Å |
| 346 | Q | 87.9 | Confident | 84.4 | Confident | 76 Ų | 76 | 62.9 Ų | 62.9 | 36% | 0.355 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -51.3 | -48.2 | -176.7 | -169.4 | -174.4 | -12.4 | 0 | 0 | 113.7 | P341 P342 T348 I349 D350 Y387 | P341-Q346 HydrophobicContact CG-CB 3.89Å; P341-Q346 HydrophobicContact CG-CG 4.01Å; P342-Q346 PolarHBondContact O-N 3.41Å; Q346-T348 PolarHBondContact O-N 2.87Å; Q346-I349 PolarHBondContact O-N 3.17Å; Q346-D350 WeakPolarHBondContact O-CB 3.19Å; Q346-D350 PolarHBondContact O-N 3.09Å; Q346-Y387 HydrophobicContact CG-CE1 4.27Å; Q346-Y387 WeakPolarHBondContact CG-OH 3.38Å; Q346-Y387 PolarHBondContact NE2-OH 3.02Å |
| 347 | P | 91.8 | Very high | 86.3 | Confident | 63 Ų | 63 | 56.3 Ų | 56.3 | 41% | 0.409 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.9 | -25.3 | 179 | -19.2 | 33.1 | 0 | 0 | 0 | 112.7 | P343 R351 | P343-P347 WeakPolarHBondContact O-CD 3.45Å; P347-R351 WeakPolarHBondContact O-CB 3.3Å; P347-R351 VanDerWaalsContact O-CG 3.24Å; P347-R351 WeakPolarHBondContact O-CG 3.43Å; P347-R351 PolarHBondContact O-N 3.33Å; P347-R351 VanDerWaalsContact O-N 3.17Å; P347-R351 PolarHBondContact O-NE 3.36Å |
| 348 | T | 92 | Very high | 87.9 | Confident | 36 Ų | 36 | 59.2 Ų | 59.2 | 22% | 0.221 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -80.2 | -36.2 | 178.2 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | L345 Q346 R351 L352 F375 F377 | L345-T348 WeakPolarHBondContact O-CA 3.45Å; L345-T348 WeakPolarHBondContact O-CB 3.46Å; L345-T348 PolarHBondContact O-N 3.36Å; Q346-T348 PolarHBondContact O-N 2.87Å; T348-R351 PolarHBondContact OG1-NH2 2.93Å; T348-R351 VanDerWaalsContact OG1-NH2 3.12Å; T348-L352 WeakPolarHBondContact O-CB 3.18Å; T348-L352 PolarHBondContact O-N 2.8Å; T348-F375 HydrophobicContact CG2-CE1 4.07Å; T348-F377 HydrophobicContact CG2-CE1 4.18Å; T348-F377 HydrophobicContact CG2-CZ 4.33Å |
| 349 | I | 93 | Very high | 88.9 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.3 | -48.1 | 171.4 | -59.5 | 159.9 | 0 | 0 | 0 | 110.4 | P341 L345 Q346 L352 A353 F377 Y387 Y388 | P341-I349 HydrophobicContact CB-CD1 3.47Å; P341-I349 VanDerWaalsContact CB-CD1 3.47Å; P341-I349 HydrophobicContact CG-CD1 3.77Å; L345-I349 HydrophobicContact CB-CD1 4.2Å; L345-I349 WeakPolarHBondContact O-CG1 3.24Å; L345-I349 PolarHBondContact O-N 3.47Å; Q346-I349 PolarHBondContact O-N 3.17Å; I349-L352 PolarHBondContact O-N 3.5Å; I349-A353 WeakPolarHBondContact O-CB 3.49Å; I349-A353 PolarHBondContact O-N 2.69Å; I349-F377 HydrophobicContact CB-CD2 4.41Å; I349-F377 HydrophobicContact CB-CE2 4.07Å; I349-F377 HydrophobicContact CB-CZ 4.2Å; I349-F377 HydrophobicContact CD1-CD1 4.48Å; I349-F377 HydrophobicContact CD1-CG 4.4Å; I349-F377 HydrophobicContact CG1-CD1 3.75Å; I349-F377 HydrophobicContact CG1-CD2 3.73Å; I349-F377 HydrophobicContact CG1-CE1 3.72Å; I349-F377 HydrophobicContact CG1-CE2 3.7Å; I349-F377 HydrophobicContact CG1-CG 3.75Å; I349-F377 HydrophobicContact CG1-CZ 3.7Å; I349-F377 HydrophobicContact CG2-CD2 4.25Å; I349-F377 HydrophobicContact CG2-CE2 4.1Å; I349-Y387 HydrophobicContact CD1-CD1 4.47Å; I349-Y387 HydrophobicContact CG2-CD1 3.81Å; I349-Y387 HydrophobicContact CG2-CE1 4.21Å; I349-Y388 HydrophobicContact CG2-CD2 4.25Å |
| 350 | D | 92.5 | Very high | 89.6 | Confident | 34 Ų | 34 | 61 Ų | 61 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.4 | -48.5 | -178.6 | -81.3 | -2.6 | 0 | 0 | 0 | 112 | Q346 L352 A353 E354 K391 F395 | Q346-D350 WeakPolarHBondContact O-CB 3.19Å; Q346-D350 PolarHBondContact O-N 3.09Å; D350-L352 VanDerWaalsContact C-N 3.31Å; D350-L352 PolarHBondContact O-N 2.82Å; D350-A353 PolarHBondContact O-N 2.81Å; D350-E354 WeakPolarHBondContact O-CB 3.18Å; D350-E354 PolarHBondContact O-N 2.84Å; D350-K391 WeakPolarHBondContact OD1-CD 3.22Å; D350-K391 WeakPolarHBondContact OD1-CE 3.23Å; D350-K391 WeakPolarHBondContact OD1-CG 3.4Å; D350-K391 IonicContact OD1-NZ 3.2Å; D350-K391 PolarHBondContact OD1-NZ 3.48Å; D350-K391 IonicContact OD2-NZ 2.67Å; D350-K391 PolarHBondContact OD2-NZ 3.16Å; D350-F395 WeakPolarHBondContact O-CE2 3.29Å |
| 351 | R | 93.1 | Very high | 90 | Very high | 154 Ų | 154 | 63.3 Ų | 63.3 | 58% | 0.581 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.5 | -36.8 | 176.2 | -75.6 | 175.7 | -65.7 | -174 | 0.7 | 112.9 | P347 T348 Y355 | P347-R351 WeakPolarHBondContact O-CB 3.3Å; P347-R351 VanDerWaalsContact O-CG 3.24Å; P347-R351 WeakPolarHBondContact O-CG 3.43Å; P347-R351 PolarHBondContact O-N 3.33Å; P347-R351 VanDerWaalsContact O-N 3.17Å; P347-R351 PolarHBondContact O-NE 3.36Å; T348-R351 PolarHBondContact OG1-NH2 2.93Å; T348-R351 VanDerWaalsContact OG1-NH2 3.12Å; R351-Y355 PolarHBondContact O-N 3.38Å |
| 352 | L | 93.2 | Very high | 90.3 | Very high | 12 Ų | 12 | 68.7 Ų | 68.7 | 6% | 0.063 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.8 | -44.7 | 176.3 | -169.8 | 83.4 | 0 | 0 | 0 | 110.7 | T348 I349 D350 E354 Y355 V356 F363 V367 F375 F377 I378 Y388 | T348-L352 WeakPolarHBondContact O-CB 3.18Å; T348-L352 PolarHBondContact O-N 2.8Å; I349-L352 PolarHBondContact O-N 3.5Å; D350-L352 VanDerWaalsContact C-N 3.31Å; D350-L352 PolarHBondContact O-N 2.82Å; L352-E354 VanDerWaalsContact C-N 3.34Å; L352-E354 PolarHBondContact O-N 2.94Å; L352-Y355 PolarHBondContact O-N 3.19Å; L352-Y355 VanDerWaalsContact O-N 3.15Å; L352-V356 HydrophobicContact CG-CG2 4.25Å; L352-V356 WeakPolarHBondContact O-CB 3.44Å; L352-V356 VanDerWaalsContact O-CG2 3.27Å; L352-V356 WeakPolarHBondContact O-CG2 3.38Å; L352-V356 PolarHBondContact O-N 3.26Å; L352-F363 HydrophobicContact CD1-CE1 3.88Å; L352-V367 HydrophobicContact CD1-CG1 4.43Å; L352-V367 HydrophobicContact CD1-CG2 4.39Å; L352-F375 HydrophobicContact CD1-CD1 4.29Å; L352-F375 HydrophobicContact CD1-CE1 4.13Å; L352-F375 HydrophobicContact CD2-CD1 4.39Å; L352-F377 HydrophobicContact CB-CE2 4.39Å; L352-F377 HydrophobicContact CB-CZ 4.37Å; L352-F377 HydrophobicContact CD2-CE2 3.61Å; L352-F377 HydrophobicContact CD2-CZ 4.02Å; L352-I378 HydrophobicContact CD2-CD1 3.42Å; L352-I378 VanDerWaalsContact CD2-CD1 3.42Å; L352-I378 HydrophobicContact CD2-CG1 3.63Å; L352-Y388 HydrophobicContact CD2-CD2 4.24Å; L352-Y388 HydrophobicContact CD2-CE2 3.71Å; L352-Y388 HydrophobicContact CG-CE2 4.33Å |
| 353 | A | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.5 | -38.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I349 D350 V356 A357 Y388 K391 V392 F395 | I349-A353 WeakPolarHBondContact O-CB 3.49Å; I349-A353 PolarHBondContact O-N 2.69Å; D350-A353 PolarHBondContact O-N 2.81Å; A353-V356 PolarHBondContact O-N 3.43Å; A353-A357 VanDerWaalsContact O-CB 3.31Å; A353-A357 WeakPolarHBondContact O-CB 3.44Å; A353-A357 PolarHBondContact O-N 3.17Å; A353-Y388 HydrophobicContact CB-CD2 4.3Å; A353-Y388 HydrophobicContact CB-CE2 4.43Å; A353-K391 HydrophobicContact CB-CB 3.56Å; A353-V392 HydrophobicContact CB-CG2 3.76Å; A353-F395 HydrophobicContact CB-CD2 3.98Å; A353-F395 HydrophobicContact CB-CE2 3.96Å |
| 354 | E | 92.8 | Very high | 91 | Very high | 63 Ų | 63 | 64.7 Ų | 64.7 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 171.3 | -172.7 | -170.7 | 174.5 | 0 | 0 | 111.2 | D350 L352 A357 R358 F395 | D350-E354 WeakPolarHBondContact O-CB 3.18Å; D350-E354 PolarHBondContact O-N 2.84Å; L352-E354 VanDerWaalsContact C-N 3.34Å; L352-E354 PolarHBondContact O-N 2.94Å; E354-A357 PolarHBondContact O-N 2.98Å; E354-R358 PolarHBondContact O-N 3.3Å; E354-R358 IonicContact OE1-CZ 3.16Å; E354-R358 IonicContact OE1-NH1 2.76Å; E354-R358 PolarHBondContact OE1-NH1 3.16Å; E354-R358 IonicContact OE1-NH2 3.27Å; E354-R358 PolarHBondContact OE1-NH2 3.46Å; E354-F395 HydrophobicContact CB-CD2 4.15Å; E354-F395 HydrophobicContact CB-CE1 4.28Å; E354-F395 HydrophobicContact CB-CE2 3.88Å; E354-F395 HydrophobicContact CB-CG 4.48Å; E354-F395 HydrophobicContact CB-CZ 3.94Å; E354-F395 HydrophobicContact CG-CE1 4.37Å; E354-F395 HydrophobicContact CG-CZ 4.49Å |
| 355 | Y | 93 | Very high | 91.1 | Very high | 120 Ų | 120 | 61 Ų | 61 | 47% | 0.471 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.7 | -37.1 | 179.7 | -158.1 | -83.9 | 0 | 0 | 0 | 112.6 | R351 L352 N359 F363 | R351-Y355 PolarHBondContact O-N 3.38Å; L352-Y355 PolarHBondContact O-N 3.19Å; L352-Y355 VanDerWaalsContact O-N 3.15Å; Y355-N359 HydrophobicContact CD1-CB 4.47Å; Y355-N359 VanDerWaalsContact CD1-ND2 3.26Å; Y355-N359 WeakPolarHBondContact CD1-ND2 3.36Å; Y355-N359 HydrophobicContact CE1-CB 4.37Å; Y355-N359 WeakPolarHBondContact CE1-ND2 3.39Å; Y355-N359 WeakPolarHBondContact O-CB 3.13Å; Y355-N359 PolarHBondContact O-N 2.86Å; Y355-N359 PolarHBondContact O-ND2 3.08Å; Y355-F363 AromaticContact CD1-CD1 3.62Å; Y355-F363 HydrophobicContact CD1-CD1 3.62Å; Y355-F363 AromaticContact CD1-CD2 4Å; Y355-F363 HydrophobicContact CD1-CD2 4Å; Y355-F363 AromaticContact CD1-CE1 3.4Å; Y355-F363 HydrophobicContact CD1-CE1 3.4Å; Y355-F363 VanDerWaalsContact CD1-CE1 3.4Å; Y355-F363 AromaticContact CD1-CE2 3.81Å; Y355-F363 HydrophobicContact CD1-CE2 3.81Å; Y355-F363 AromaticContact CD1-CG 3.9Å; Y355-F363 HydrophobicContact CD1-CG 3.9Å; Y355-F363 AromaticContact CD1-CZ 3.51Å; Y355-F363 HydrophobicContact CD1-CZ 3.51Å; Y355-F363 HydrophobicContact CE1-CD1 4.2Å; Y355-F363 AromaticContact CE1-CD2 3.7Å; Y355-F363 HydrophobicContact CE1-CD2 3.7Å; Y355-F363 HydrophobicContact CE1-CE1 4.01Å; Y355-F363 AromaticContact CE1-CE2 3.48Å; Y355-F363 HydrophobicContact CE1-CE2 3.48Å; Y355-F363 VanDerWaalsContact CE1-CE2 3.48Å; Y355-F363 HydrophobicContact CE1-CG 4.05Å; Y355-F363 AromaticContact CE1-CZ 3.64Å; Y355-F363 HydrophobicContact CE1-CZ 3.64Å; Y355-F363 HydrophobicContact CG-CE1 4.27Å; Y355-F363 HydrophobicContact CG-CZ 4.46Å |
| 356 | V | 93.7 | Very high | 91.3 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.7 | -38.6 | 174.2 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | L352 A353 R358 G360 F363 E364 Y388 V392 | L352-V356 HydrophobicContact CG-CG2 4.25Å; L352-V356 WeakPolarHBondContact O-CB 3.44Å; L352-V356 VanDerWaalsContact O-CG2 3.27Å; L352-V356 WeakPolarHBondContact O-CG2 3.38Å; L352-V356 PolarHBondContact O-N 3.26Å; A353-V356 PolarHBondContact O-N 3.43Å; V356-R358 VanDerWaalsContact C-N 3.32Å; V356-R358 PolarHBondContact O-N 3.48Å; V356-G360 WeakPolarHBondContact O-CA 3.41Å; V356-G360 PolarHBondContact O-N 3.37Å; V356-F363 HydrophobicContact CG2-CD1 3.75Å; V356-F363 HydrophobicContact CG2-CE1 4.4Å; V356-E364 HydrophobicContact CG1-CB 4.19Å; V356-E364 HydrophobicContact CG2-CB 4.41Å; V356-Y388 HydrophobicContact CG2-CE2 4.41Å; V356-Y388 WeakPolarHBondContact CG2-OH 3.28Å; V356-V392 HydrophobicContact CB-CG2 4.12Å; V356-V392 HydrophobicContact CG1-CG1 3.93Å; V356-V392 HydrophobicContact CG1-CG2 3.94Å |
| 357 | A | 91.6 | Very high | 91.3 | Very high | 15 Ų | 15 | 58.9 Ų | 58.9 | 12% | 0.124 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A353 E354 F395 Q396 | A353-A357 VanDerWaalsContact O-CB 3.31Å; A353-A357 WeakPolarHBondContact O-CB 3.44Å; A353-A357 PolarHBondContact O-N 3.17Å; E354-A357 PolarHBondContact O-N 2.98Å; A357-F395 HydrophobicContact CB-CB 3.52Å; A357-Q396 HydrophobicContact CB-CG 3.87Å |
| 358 | R | 90.6 | Very high | 91.2 | Very high | 154 Ų | 154 | 58.7 Ų | 58.7 | 58% | 0.581 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -76.6 | -35.6 | 179.4 | -67 | -173.8 | -174.1 | 125.8 | 12.4 | 115 | E354 V356 | E354-R358 PolarHBondContact O-N 3.3Å; E354-R358 IonicContact OE1-CZ 3.16Å; E354-R358 IonicContact OE1-NH1 2.76Å; E354-R358 PolarHBondContact OE1-NH1 3.16Å; E354-R358 IonicContact OE1-NH2 3.27Å; E354-R358 PolarHBondContact OE1-NH2 3.46Å; V356-R358 VanDerWaalsContact C-N 3.32Å; V356-R358 PolarHBondContact O-N 3.48Å |
| 359 | N | 90.4 | Very high | 91.2 | Very high | 87 Ų | 87 | 62.2 Ų | 62.2 | 47% | 0.465 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -99.1 | -6.8 | -175.1 | -66 | -92.5 | 0 | 0 | 0 | 114 | Y355 F363 | Y355-N359 HydrophobicContact CD1-CB 4.47Å; Y355-N359 VanDerWaalsContact CD1-ND2 3.26Å; Y355-N359 WeakPolarHBondContact CD1-ND2 3.36Å; Y355-N359 HydrophobicContact CE1-CB 4.37Å; Y355-N359 WeakPolarHBondContact CE1-ND2 3.39Å; Y355-N359 WeakPolarHBondContact O-CB 3.13Å; Y355-N359 PolarHBondContact O-N 2.86Å; Y355-N359 PolarHBondContact O-ND2 3.08Å; N359-F363 HydrophobicContact CB-CB 4.03Å |
| 360 | G | 88 | Confident | 91 | Very high | 27 Ų | 27 | 69.1 Ų | 69.1 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | trans | 78.6 | -176.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V356 E362 F363 | V356-G360 WeakPolarHBondContact O-CA 3.41Å; V356-G360 PolarHBondContact O-N 3.37Å; G360-E362 VanDerWaalsContact C-N 3.29Å; G360-E362 PolarHBondContact O-N 2.95Å; G360-F363 PolarHBondContact O-N 2.77Å | ||
| 361 | R | 87.1 | Confident | 90.5 | Very high | 129 Ų | 129 | 77.4 Ų | 77.4 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.6 | -22.8 | -169.8 | -167.3 | 173.9 | -69.8 | 176.7 | 2.5 | 113.7 | F363 E364 N365 | R361-F363 VanDerWaalsContact C-N 3.25Å; R361-F363 PolarHBondContact O-N 2.69Å; R361-E364 WeakPolarHBondContact O-CA 3.42Å; R361-E364 WeakPolarHBondContact O-CB 3.43Å; R361-E364 PolarHBondContact O-N 2.82Å; R361-N365 PolarHBondContact O-N 2.75Å |
| 362 | E | 89.2 | Confident | 90.3 | Very high | 124 Ų | 124 | 72 Ų | 72 | 58% | 0.579 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.8 | -33.1 | 176.7 | -56.9 | -36.9 | 121.9 | 0 | 0 | 112.8 | G360 N365 I366 | G360-E362 VanDerWaalsContact C-N 3.29Å; G360-E362 PolarHBondContact O-N 2.95Å; E362-N365 PolarHBondContact O-N 2.92Å; E362-N365 PolarHBondContact OE2-ND2 3.49Å; E362-I366 WeakPolarHBondContact O-CD1 3.34Å; E362-I366 VanDerWaalsContact O-CG1 3.26Å; E362-I366 WeakPolarHBondContact O-CG1 3.24Å; E362-I366 PolarHBondContact O-N 3.44Å |
| 363 | F | 91.6 | Very high | 90 | Very high | 51 Ų | 51 | 76.5 Ų | 76.5 | 22% | 0.224 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.1 | -37.9 | 173.2 | -172 | -97.8 | 0 | 0 | 0 | 112.2 | L352 Y355 V356 N359 G360 R361 N365 I366 V367 | L352-F363 HydrophobicContact CD1-CE1 3.88Å; Y355-F363 AromaticContact CD1-CD1 3.62Å; Y355-F363 HydrophobicContact CD1-CD1 3.62Å; Y355-F363 AromaticContact CD1-CD2 4Å; Y355-F363 HydrophobicContact CD1-CD2 4Å; Y355-F363 AromaticContact CD1-CE1 3.4Å; Y355-F363 HydrophobicContact CD1-CE1 3.4Å; Y355-F363 VanDerWaalsContact CD1-CE1 3.4Å; Y355-F363 AromaticContact CD1-CE2 3.81Å; Y355-F363 HydrophobicContact CD1-CE2 3.81Å; Y355-F363 AromaticContact CD1-CG 3.9Å; Y355-F363 HydrophobicContact CD1-CG 3.9Å; Y355-F363 AromaticContact CD1-CZ 3.51Å; Y355-F363 HydrophobicContact CD1-CZ 3.51Å; Y355-F363 HydrophobicContact CE1-CD1 4.2Å; Y355-F363 AromaticContact CE1-CD2 3.7Å; Y355-F363 HydrophobicContact CE1-CD2 3.7Å; Y355-F363 HydrophobicContact CE1-CE1 4.01Å; Y355-F363 AromaticContact CE1-CE2 3.48Å; Y355-F363 HydrophobicContact CE1-CE2 3.48Å; Y355-F363 VanDerWaalsContact CE1-CE2 3.48Å; Y355-F363 HydrophobicContact CE1-CG 4.05Å; Y355-F363 AromaticContact CE1-CZ 3.64Å; Y355-F363 HydrophobicContact CE1-CZ 3.64Å; Y355-F363 HydrophobicContact CG-CE1 4.27Å; Y355-F363 HydrophobicContact CG-CZ 4.46Å; V356-F363 HydrophobicContact CG2-CD1 3.75Å; V356-F363 HydrophobicContact CG2-CE1 4.4Å; N359-F363 HydrophobicContact CB-CB 4.03Å; G360-F363 PolarHBondContact O-N 2.77Å; R361-F363 VanDerWaalsContact C-N 3.25Å; R361-F363 PolarHBondContact O-N 2.69Å; F363-N365 VanDerWaalsContact C-N 3.33Å; F363-N365 PolarHBondContact O-N 3.43Å; F363-I366 PolarHBondContact O-N 3.31Å; F363-V367 HydrophobicContact CD1-CG2 4.06Å; F363-V367 HydrophobicContact CE1-CG2 3.55Å; F363-V367 HydrophobicContact CE2-CG2 4.17Å; F363-V367 HydrophobicContact CZ-CG2 3.61Å; F363-V367 WeakPolarHBondContact O-CG2 3.45Å; F363-V367 PolarHBondContact O-N 2.91Å |
| 364 | E | 91.7 | Very high | 89.6 | Confident | 12 Ų | 12 | 84.5 Ų | 84.5 | 6% | 0.056 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.9 | -44 | 171.5 | -178.1 | -179.4 | 125.4 | 0 | 0 | 111 | V356 R361 I366 V367 R368 I378 Y388 | V356-E364 HydrophobicContact CG1-CB 4.19Å; V356-E364 HydrophobicContact CG2-CB 4.41Å; R361-E364 WeakPolarHBondContact O-CA 3.42Å; R361-E364 WeakPolarHBondContact O-CB 3.43Å; R361-E364 PolarHBondContact O-N 2.82Å; E364-I366 PolarHBondContact O-N 3.31Å; E364-V367 PolarHBondContact O-N 2.79Å; E364-R368 WeakPolarHBondContact O-CB 3.44Å; E364-R368 PolarHBondContact O-N 2.77Å; E364-R368 IonicContact OE1-CZ 3.21Å; E364-R368 IonicContact OE1-NH1 3.36Å; E364-R368 PolarHBondContact OE1-NH1 3.29Å; E364-R368 IonicContact OE1-NH2 2.9Å; E364-R368 PolarHBondContact OE1-NH2 3Å; E364-I378 HydrophobicContact CG-CG2 3.78Å; E364-Y388 WeakPolarHBondContact CG-OH 3.42Å; E364-Y388 WeakPolarHBondContact OE2-CE1 3.36Å; E364-Y388 PolarHBondContact OE2-OH 3.2Å |
| 365 | N | 89.9 | Confident | 89.4 | Confident | 57 Ų | 57 | 84.1 Ų | 84.1 | 31% | 0.305 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 176.7 | -67.8 | -23.3 | 0 | 0 | 0 | 111.9 | R361 E362 F363 T369 | R361-N365 PolarHBondContact O-N 2.75Å; E362-N365 PolarHBondContact O-N 2.92Å; E362-N365 PolarHBondContact OE2-ND2 3.49Å; F363-N365 VanDerWaalsContact C-N 3.33Å; F363-N365 PolarHBondContact O-N 3.43Å; N365-T369 VanDerWaalsContact O-CB 3.31Å; N365-T369 WeakPolarHBondContact O-CB 3.47Å; N365-T369 PolarHBondContact O-N 2.94Å; N365-T369 PolarHBondContact O-OG1 3.26Å |
| 366 | I | 89.9 | Confident | 89.2 | Confident | 87 Ų | 87 | 81 Ų | 81 | 45% | 0.446 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.9 | -47 | 176.9 | -70 | 162.7 | 0 | 0 | 0 | 111.5 | E362 F363 E364 T369 K370 | E362-I366 WeakPolarHBondContact O-CD1 3.34Å; E362-I366 VanDerWaalsContact O-CG1 3.26Å; E362-I366 WeakPolarHBondContact O-CG1 3.24Å; E362-I366 PolarHBondContact O-N 3.44Å; F363-I366 PolarHBondContact O-N 3.31Å; E364-I366 PolarHBondContact O-N 3.31Å; I366-T369 PolarHBondContact O-N 3.17Å; I366-K370 WeakPolarHBondContact O-CG 3.12Å; I366-K370 PolarHBondContact O-N 3.22Å; I366-K370 VanDerWaalsContact O-N 3.14Å |
| 367 | V | 89.3 | Confident | 89 | Confident | 9 Ų | 9 | 81 Ų | 81 | 6% | 0.055 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -72.1 | -36.1 | -179.5 | -173.2 | 0 | 0 | 0 | 0 | 111.5 | L352 F363 E364 T369 K370 F375 I378 | L352-V367 HydrophobicContact CD1-CG1 4.43Å; L352-V367 HydrophobicContact CD1-CG2 4.39Å; F363-V367 HydrophobicContact CD1-CG2 4.06Å; F363-V367 HydrophobicContact CE1-CG2 3.55Å; F363-V367 HydrophobicContact CE2-CG2 4.17Å; F363-V367 HydrophobicContact CZ-CG2 3.61Å; F363-V367 WeakPolarHBondContact O-CG2 3.45Å; F363-V367 PolarHBondContact O-N 2.91Å; E364-V367 PolarHBondContact O-N 2.79Å; V367-T369 VanDerWaalsContact C-N 3.31Å; V367-T369 PolarHBondContact O-N 3.38Å; V367-K370 PolarHBondContact O-N 3.12Å; V367-F375 HydrophobicContact CG1-CB 3.81Å; V367-F375 HydrophobicContact CG1-CD1 4.45Å; V367-F375 HydrophobicContact CG1-CD2 3.39Å; V367-F375 HydrophobicContact CG1-CE2 4.07Å; V367-F375 HydrophobicContact CG1-CG 3.63Å; V367-I378 HydrophobicContact CB-CD1 3.74Å; V367-I378 HydrophobicContact CG1-CD1 3.38Å |
| 368 | R | 89.9 | Confident | 88.9 | Confident | 59 Ų | 59 | 80.4 Ų | 80.4 | 22% | 0.223 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.8 | -41.4 | 170.5 | -178.7 | 175.3 | -75.1 | 125 | 2.1 | 111.6 | E364 R371 I378 M379 | E364-R368 WeakPolarHBondContact O-CB 3.44Å; E364-R368 PolarHBondContact O-N 2.77Å; E364-R368 IonicContact OE1-CZ 3.21Å; E364-R368 IonicContact OE1-NH1 3.36Å; E364-R368 PolarHBondContact OE1-NH1 3.29Å; E364-R368 IonicContact OE1-NH2 2.9Å; E364-R368 PolarHBondContact OE1-NH2 3Å; R368-R371 WeakPolarHBondContact O-CG 3.31Å; R368-R371 PolarHBondContact O-N 3.24Å; R368-I378 HydrophobicContact CB-CG2 4.01Å; R368-I378 PolarHBondContact NE-O 3.45Å; R368-I378 PolarHBondContact NH2-O 3.28Å; R368-M379 HydrophobicContact CG-CE 3.93Å; R368-M379 HydrophobicContact CG-SD 3.91Å; R368-M379 WeakPolarHBondContact O-CE 3.34Å |
| 369 | T | 90.4 | Very high | 88.7 | Confident | 111 Ų | 111 | 75.7 Ų | 75.7 | 68% | 0.681 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67 | -35.5 | 179.4 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | N365 I366 V367 R371 | N365-T369 VanDerWaalsContact O-CB 3.31Å; N365-T369 WeakPolarHBondContact O-CB 3.47Å; N365-T369 PolarHBondContact O-N 2.94Å; N365-T369 PolarHBondContact O-OG1 3.26Å; I366-T369 PolarHBondContact O-N 3.17Å; V367-T369 VanDerWaalsContact C-N 3.31Å; V367-T369 PolarHBondContact O-N 3.38Å; T369-R371 PolarHBondContact O-N 2.94Å |
| 370 | K | 89.1 | Confident | 88.4 | Confident | 144 Ų | 144 | 79.1 Ų | 79.1 | 63% | 0.626 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.9 | -19.9 | 176.4 | -72.8 | 175.5 | -178.9 | -177.2 | 0 | 114.1 | I366 V367 D372 | I366-K370 WeakPolarHBondContact O-CG 3.12Å; I366-K370 PolarHBondContact O-N 3.22Å; I366-K370 VanDerWaalsContact O-N 3.14Å; V367-K370 PolarHBondContact O-N 3.12Å; K370-D372 PolarHBondContact O-N 3.46Å |
| 371 | R | 82.9 | Confident | 88.3 | Confident | 208 Ų | 208 | 84.7 Ų | 84.7 | 79% | 0.785 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 28.8 | 178.7 | -64.7 | -176.1 | 176.7 | -173.4 | -0.8 | 114.7 | R368 T369 M379 | R368-R371 WeakPolarHBondContact O-CG 3.31Å; R368-R371 PolarHBondContact O-N 3.24Å; T369-R371 PolarHBondContact O-N 2.94Å; R371-M379 HydrophobicContact CG-CE 4.08Å |
| 372 | D | 88.6 | Confident | 88.3 | Confident | 42 Ų | 42 | 80 Ų | 80 | 23% | 0.225 | 39% | 0.385 | C | S | . | . | trans | -63.8 | 126.9 | -178.5 | -140.9 | 88.8 | 0 | 0 | 0 | 109.7 | K370 R374 F375 S376 | K370-D372 PolarHBondContact O-N 3.46Å; D372-R374 PolarHBondContact O-N 3.44Å; D372-R374 VanDerWaalsContact O-N 3.13Å; D372-R374 IonicContact OD1-NH2 2.91Å; D372-R374 PolarHBondContact OD1-NH2 2.93Å; D372-R374 IonicContact OD2-CZ 3.79Å; D372-R374 IonicContact OD2-NE 3.66Å; D372-R374 PolarHBondContact OD2-NE 3.08Å; D372-R374 IonicContact OD2-NH2 3.24Å; D372-R374 PolarHBondContact OD2-NH2 3.36Å; D372-F375 HydrophobicContact CB-CD2 3.71Å; D372-F375 HydrophobicContact CB-CE2 4.43Å; D372-F375 CarbonylContact O-C 3.53Å; D372-F375 WeakPolarHBondContact O-CA 3.35Å; D372-F375 PolarHBondContact O-N 2.96Å; D372-S376 PolarHBondContact O-N 2.87Å | ||
| 373 | P | 86.3 | Confident | 88.2 | Confident | 106 Ų | 106 | 77.6 Ų | 77.6 | 69% | 0.688 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -62.9 | -27.3 | -173.5 | 23.6 | -33.5 | 0 | 0 | 0 | 112.8 | F375 S376 | P373-F375 PolarHBondContact O-N 3.12Å; P373-S376 WeakPolarHBondContact O-CB 3.29Å; P373-S376 PolarHBondContact O-N 3.46Å; P373-S376 PolarHBondContact O-OG 3.38Å |
| 374 | R | 85.1 | Confident | 88 | Confident | 168 Ų | 168 | 77.9 Ų | 77.9 | 63% | 0.634 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -59.4 | -22.8 | 171.9 | -65.3 | 178.7 | -69.3 | -162.1 | -5 | 113.6 | D372 F377 | D372-R374 PolarHBondContact O-N 3.44Å; D372-R374 VanDerWaalsContact O-N 3.13Å; D372-R374 IonicContact OD1-NH2 2.91Å; D372-R374 PolarHBondContact OD1-NH2 2.93Å; D372-R374 IonicContact OD2-CZ 3.79Å; D372-R374 IonicContact OD2-NE 3.66Å; D372-R374 PolarHBondContact OD2-NE 3.08Å; D372-R374 IonicContact OD2-NH2 3.24Å; D372-R374 PolarHBondContact OD2-NH2 3.36Å; R374-F377 VanDerWaalsContact O-CE1 3.25Å; R374-F377 WeakPolarHBondContact O-CE1 3.25Å |
| 375 | F | 90 | Very high | 87.9 | Confident | 55 Ų | 55 | 78.6 Ų | 78.6 | 24% | 0.241 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -117.6 | 21 | -177.6 | -57.9 | -52.5 | 0 | 0 | 0 | 112.6 | T348 L352 V367 D372 P373 F377 I378 | T348-F375 HydrophobicContact CG2-CE1 4.07Å; L352-F375 HydrophobicContact CD1-CD1 4.29Å; L352-F375 HydrophobicContact CD1-CE1 4.13Å; L352-F375 HydrophobicContact CD2-CD1 4.39Å; V367-F375 HydrophobicContact CG1-CB 3.81Å; V367-F375 HydrophobicContact CG1-CD1 4.45Å; V367-F375 HydrophobicContact CG1-CD2 3.39Å; V367-F375 HydrophobicContact CG1-CE2 4.07Å; V367-F375 HydrophobicContact CG1-CG 3.63Å; D372-F375 HydrophobicContact CB-CD2 3.71Å; D372-F375 HydrophobicContact CB-CE2 4.43Å; D372-F375 CarbonylContact O-C 3.53Å; D372-F375 WeakPolarHBondContact O-CA 3.35Å; D372-F375 PolarHBondContact O-N 2.96Å; P373-F375 PolarHBondContact O-N 3.12Å; F375-F377 HydrophobicContact CD1-CE1 4.18Å; F375-F377 AromaticContact CD1-CZ 3.92Å; F375-F377 HydrophobicContact CD1-CZ 3.92Å; F375-F377 PolarHBondContact O-N 3.5Å; F375-I378 HydrophobicContact CB-CD1 3.77Å; F375-I378 HydrophobicContact CB-CG1 4.33Å; F375-I378 HydrophobicContact CG-CD1 4.48Å; F375-I378 WeakPolarHBondContact O-CB 3.39Å; F375-I378 WeakPolarHBondContact O-CG1 3.34Å; F375-I378 PolarHBondContact O-N 3.35Å |
| 376 | S | 87.2 | Confident | 87.8 | Confident | 55 Ų | 55 | 76.2 Ų | 76.2 | 39% | 0.385 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -54.4 | -22.9 | 175.9 | 48.6 | 0 | 0 | 0 | 0 | 114 | D372 P373 I378 M379 N382 | D372-S376 PolarHBondContact O-N 2.87Å; P373-S376 WeakPolarHBondContact O-CB 3.29Å; P373-S376 PolarHBondContact O-N 3.46Å; P373-S376 PolarHBondContact O-OG 3.38Å; S376-I378 PolarHBondContact O-N 3.12Å; S376-M379 WeakPolarHBondContact O-CB 3.48Å; S376-M379 PolarHBondContact O-N 3.01Å; S376-N382 WeakPolarHBondContact O-CB 3.49Å; S376-N382 PolarHBondContact O-ND2 3.4Å |
| 377 | F | 90.5 | Very high | 87.7 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.009 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -71.2 | -1.8 | 173.6 | 62.8 | -102.7 | 0 | 0 | 0 | 115.4 | T348 I349 L352 R374 F375 M379 Y385 Y388 | T348-F377 HydrophobicContact CG2-CE1 4.18Å; T348-F377 HydrophobicContact CG2-CZ 4.33Å; I349-F377 HydrophobicContact CB-CD2 4.41Å; I349-F377 HydrophobicContact CB-CE2 4.07Å; I349-F377 HydrophobicContact CB-CZ 4.2Å; I349-F377 HydrophobicContact CD1-CD1 4.48Å; I349-F377 HydrophobicContact CD1-CG 4.4Å; I349-F377 HydrophobicContact CG1-CD1 3.75Å; I349-F377 HydrophobicContact CG1-CD2 3.73Å; I349-F377 HydrophobicContact CG1-CE1 3.72Å; I349-F377 HydrophobicContact CG1-CE2 3.7Å; I349-F377 HydrophobicContact CG1-CG 3.75Å; I349-F377 HydrophobicContact CG1-CZ 3.7Å; I349-F377 HydrophobicContact CG2-CD2 4.25Å; I349-F377 HydrophobicContact CG2-CE2 4.1Å; L352-F377 HydrophobicContact CB-CE2 4.39Å; L352-F377 HydrophobicContact CB-CZ 4.37Å; L352-F377 HydrophobicContact CD2-CE2 3.61Å; L352-F377 HydrophobicContact CD2-CZ 4.02Å; R374-F377 VanDerWaalsContact O-CE1 3.25Å; R374-F377 WeakPolarHBondContact O-CE1 3.25Å; F375-F377 HydrophobicContact CD1-CE1 4.18Å; F375-F377 AromaticContact CD1-CZ 3.92Å; F375-F377 HydrophobicContact CD1-CZ 3.92Å; F375-F377 PolarHBondContact O-N 3.5Å; F377-M379 VanDerWaalsContact C-N 3.34Å; F377-Y385 VanDerWaalsContact O-CA 3.24Å; F377-Y385 WeakPolarHBondContact O-CA 3.25Å; F377-Y385 VanDerWaalsContact O-CB 3.25Å; F377-Y385 WeakPolarHBondContact O-CB 3.44Å; F377-Y385 WeakPolarHBondContact O-CD2 3.3Å; F377-Y388 HydrophobicContact CD2-CD2 4.18Å; F377-Y388 HydrophobicContact CD2-CG 4.22Å; F377-Y388 HydrophobicContact CE2-CD2 4.01Å |
| 378 | I | 90 | Very high | 87.9 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -83.9 | -13.9 | 169.6 | -54.8 | 171.7 | 0 | 0 | 0 | 111.4 | L352 E364 V367 R368 F375 S376 Y385 | L352-I378 HydrophobicContact CD2-CD1 3.42Å; L352-I378 VanDerWaalsContact CD2-CD1 3.42Å; L352-I378 HydrophobicContact CD2-CG1 3.63Å; E364-I378 HydrophobicContact CG-CG2 3.78Å; V367-I378 HydrophobicContact CB-CD1 3.74Å; V367-I378 HydrophobicContact CG1-CD1 3.38Å; R368-I378 HydrophobicContact CB-CG2 4.01Å; R368-I378 PolarHBondContact NE-O 3.45Å; R368-I378 PolarHBondContact NH2-O 3.28Å; F375-I378 HydrophobicContact CB-CD1 3.77Å; F375-I378 HydrophobicContact CB-CG1 4.33Å; F375-I378 HydrophobicContact CG-CD1 4.48Å; F375-I378 WeakPolarHBondContact O-CB 3.39Å; F375-I378 WeakPolarHBondContact O-CG1 3.34Å; F375-I378 PolarHBondContact O-N 3.35Å; S376-I378 PolarHBondContact O-N 3.12Å; I378-Y385 WeakPolarHBondContact O-CD2 3.31Å; I378-Y385 VanDerWaalsContact O-CE2 3.27Å; I378-Y385 WeakPolarHBondContact O-CE2 2.96Å |
| 379 | M | 85.5 | Confident | 87.9 | Confident | 56 Ų | 56 | 71.5 Ų | 71.5 | 28% | 0.276 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -84.7 | 141.3 | -179.1 | -58.2 | -59 | 178.4 | 0 | 0 | 111.2 | R368 R371 S376 F377 D381 N382 Y385 | R368-M379 HydrophobicContact CG-CE 3.93Å; R368-M379 HydrophobicContact CG-SD 3.91Å; R368-M379 WeakPolarHBondContact O-CE 3.34Å; R371-M379 HydrophobicContact CG-CE 4.08Å; S376-M379 WeakPolarHBondContact O-CB 3.48Å; S376-M379 PolarHBondContact O-N 3.01Å; F377-M379 VanDerWaalsContact C-N 3.34Å; M379-D381 PolarHBondContact O-N 3.22Å; M379-N382 WeakPolarHBondContact O-CB 3.25Å; M379-N382 PolarHBondContact O-N 2.61Å; M379-Y385 VanDerWaalsContact O-CB 3.31Å; M379-Y385 WeakPolarHBondContact O-CB 3.43Å |
| 380 | F | 84.4 | Confident | 87.8 | Confident | 159 Ų | 159 | 66.3 Ų | 66.3 | 70% | 0.697 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -25.8 | -176 | 62.4 | -94.6 | 0 | 0 | 0 | 114.6 | N382 Y385 | F380-N382 VanDerWaalsContact C-N 3.26Å; F380-N382 PolarHBondContact O-N 2.86Å; F380-Y385 VanDerWaalsContact CA-CD1 3.44Å; F380-Y385 HydrophobicContact CB-CD1 4.15Å; F380-Y385 HydrophobicContact CB-CE1 3.84Å |
| 381 | D | 86.3 | Confident | 87.9 | Confident | 144 Ų | 144 | 60.6 Ų | 60.6 | 77% | 0.77 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -16 | 177.1 | -168.4 | 43.8 | 0 | 0 | 0 | 113.3 | M379 | M379-D381 PolarHBondContact O-N 3.22Š|
| 382 | N | 86 | Confident | 88.3 | Confident | 31 Ų | 31 | 51.3 Ų | 51.3 | 17% | 0.166 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -85.5 | 131.8 | -175.5 | -166.7 | -67 | 0 | 0 | 0 | 112.1 | S376 M379 F380 Y384 Y385 | S376-N382 WeakPolarHBondContact O-CB 3.49Å; S376-N382 PolarHBondContact O-ND2 3.4Å; M379-N382 WeakPolarHBondContact O-CB 3.25Å; M379-N382 PolarHBondContact O-N 2.61Å; F380-N382 VanDerWaalsContact C-N 3.26Å; F380-N382 PolarHBondContact O-N 2.86Å; N382-Y384 PolarHBondContact O-N 2.96Å; N382-Y384 VanDerWaalsContact O-N 3.13Å; N382-Y384 WeakPolarHBondContact OD1-CB 3.24Å; N382-Y384 VanDerWaalsContact OD1-CD2 3.3Å; N382-Y384 WeakPolarHBondContact OD1-CD2 3.38Å; N382-Y384 PolarHBondContact OD1-N 3.47Å; N382-Y385 WeakPolarHBondContact O-CB 3.27Å; N382-Y385 PolarHBondContact O-N 3.16Å; N382-Y385 VanDerWaalsContact O-N 3.09Å |
| 383 | P | 87.1 | Confident | 88.3 | Confident | 73 Ų | 73 | 53 Ų | 53 | 47% | 0.474 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.6 | -179.9 | 25.2 | -35.4 | 0 | 0 | 0 | 114.1 | S386 | P383-S386 PolarHBondContact O-OG 2.83Š|
| 384 | Y | 88.9 | Confident | 88.4 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 22% | 0.22 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -4.7 | 179.5 | -49.6 | -56.8 | 0 | 0 | 0 | 113.9 | V339 P341 P342 L345 N382 S386 Y387 Y388 | V339-Y384 HydrophobicContact CG1-CD1 4.42Å; V339-Y384 HydrophobicContact CG1-CE1 4.02Å; P341-Y384 HydrophobicContact CB-CD1 3.87Å; P341-Y384 HydrophobicContact CB-CE1 4.29Å; P341-Y384 HydrophobicContact CB-CG 4.24Å; P342-Y384 VanDerWaalsContact CD-CZ 3.45Å; P342-Y384 WeakPolarHBondContact CD-OH 3.38Å; L345-Y384 HydrophobicContact CD1-CD2 4.2Å; L345-Y384 HydrophobicContact CD1-CE2 3.95Å; N382-Y384 PolarHBondContact O-N 2.96Å; N382-Y384 VanDerWaalsContact O-N 3.13Å; N382-Y384 WeakPolarHBondContact OD1-CB 3.24Å; N382-Y384 VanDerWaalsContact OD1-CD2 3.3Å; N382-Y384 WeakPolarHBondContact OD1-CD2 3.38Å; N382-Y384 PolarHBondContact OD1-N 3.47Å; Y384-S386 PolarHBondContact O-N 3.12Å; Y384-Y387 PolarHBondContact O-N 3.04Å; Y384-Y388 PolarHBondContact O-N 2.86Å |
| 385 | Y | 89.8 | Confident | 88.7 | Confident | 27 Ų | 27 | 46.8 Ų | 46.8 | 11% | 0.106 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.9 | -23.6 | 176.5 | 173 | -121.3 | 0 | 0 | 0 | 112 | H335 F377 I378 M379 F380 N382 Y388 K389 | H335-Y385 AromaticContact CE1-CD1 3.1Å; H335-Y385 WeakPolarHBondContact CE1-CD1 3.31Å; H335-Y385 AromaticContact CE1-CG 3.66Å; H335-Y385 AromaticContact ND1-CD1 4Å; H335-Y385 AromaticContact NE2-CD1 3.31Å; H335-Y385 VanDerWaalsContact NE2-CD1 3.31Å; H335-Y385 WeakPolarHBondContact NE2-CD1 3.39Å; H335-Y385 AromaticContact NE2-CE1 3.87Å; H335-Y385 AromaticContact NE2-CG 3.98Å; F377-Y385 VanDerWaalsContact O-CA 3.24Å; F377-Y385 WeakPolarHBondContact O-CA 3.25Å; F377-Y385 VanDerWaalsContact O-CB 3.25Å; F377-Y385 WeakPolarHBondContact O-CB 3.44Å; F377-Y385 WeakPolarHBondContact O-CD2 3.3Å; I378-Y385 WeakPolarHBondContact O-CD2 3.31Å; I378-Y385 VanDerWaalsContact O-CE2 3.27Å; I378-Y385 WeakPolarHBondContact O-CE2 2.96Å; M379-Y385 VanDerWaalsContact O-CB 3.31Å; M379-Y385 WeakPolarHBondContact O-CB 3.43Å; F380-Y385 VanDerWaalsContact CA-CD1 3.44Å; F380-Y385 HydrophobicContact CB-CD1 4.15Å; F380-Y385 HydrophobicContact CB-CE1 3.84Å; N382-Y385 WeakPolarHBondContact O-CB 3.27Å; N382-Y385 PolarHBondContact O-N 3.16Å; N382-Y385 VanDerWaalsContact O-N 3.09Å; Y385-Y388 AromaticContact CD2-CD1 3.66Å; Y385-Y388 HydrophobicContact CD2-CD1 3.66Å; Y385-Y388 HydrophobicContact CD2-CE1 4.23Å; Y385-Y388 AromaticContact CE2-CD1 3.98Å; Y385-Y388 HydrophobicContact CE2-CD1 3.98Å; Y385-Y388 HydrophobicContact CE2-CE1 4.12Å; Y385-Y388 PolarHBondContact O-N 3.42Å; Y385-K389 HydrophobicContact CD2-CG 4.23Å; Y385-K389 HydrophobicContact CE1-CG 4.4Å; Y385-K389 HydrophobicContact CE2-CD 4.4Å; Y385-K389 HydrophobicContact CE2-CG 3.98Å; Y385-K389 WeakPolarHBondContact O-CB 3.42Å; Y385-K389 VanDerWaalsContact O-CG 3.3Å; Y385-K389 WeakPolarHBondContact O-CG 3.1Å; Y385-K389 PolarHBondContact O-N 3.15Å; Y385-K389 WeakPolarHBondContact OH-CE 3.46Å; Y385-K389 PolarHBondContact OH-NZ 3.19Å |
| 386 | S | 85.9 | Confident | 88.6 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.1 | -42.5 | 177.1 | 60.3 | 0 | 0 | 0 | 0 | 111.3 | H335 V337 P383 Y384 K389 A390 | H335-S386 VanDerWaalsContact CE1-CA 3.45Å; H335-S386 WeakPolarHBondContact CE1-CA 3.39Å; H335-S386 PolarHBondContact CE1-N 3.16Å; H335-S386 WeakPolarHBondContact NE2-CA 3.42Å; H335-S386 PolarHBondContact NE2-N 3.37Å; H335-S386 WeakPolarHBondContact O-CB 3.34Å; V337-S386 PolarHBondContact O-OG 3.13Å; P383-S386 PolarHBondContact O-OG 2.83Å; Y384-S386 PolarHBondContact O-N 3.12Å; S386-K389 PolarHBondContact O-N 3.18Å; S386-A390 VanDerWaalsContact O-CB 3.24Å; S386-A390 WeakPolarHBondContact O-CB 3.4Å; S386-A390 PolarHBondContact O-N 3.05Å |
| 387 | Y | 89.8 | Confident | 88.4 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 6% | 0.055 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 170.7 | -173.8 | -81.9 | 0 | 0 | 0 | 111.8 | V338 P341 Q346 I349 Y384 A390 K391 F425 | V338-Y387 HydrophobicContact CG1-CD2 3.85Å; V338-Y387 HydrophobicContact CG1-CG 4.49Å; P341-Y387 HydrophobicContact CG-CD1 3.77Å; P341-Y387 HydrophobicContact CG-CD2 4.09Å; P341-Y387 HydrophobicContact CG-CE1 3.79Å; P341-Y387 HydrophobicContact CG-CE2 4.1Å; P341-Y387 HydrophobicContact CG-CG 3.93Å; Q346-Y387 HydrophobicContact CG-CE1 4.27Å; Q346-Y387 WeakPolarHBondContact CG-OH 3.38Å; Q346-Y387 PolarHBondContact NE2-OH 3.02Å; I349-Y387 HydrophobicContact CD1-CD1 4.47Å; I349-Y387 HydrophobicContact CG2-CD1 3.81Å; I349-Y387 HydrophobicContact CG2-CE1 4.21Å; Y384-Y387 PolarHBondContact O-N 3.04Å; Y387-A390 WeakPolarHBondContact O-CB 3.27Å; Y387-A390 PolarHBondContact O-N 3.29Å; Y387-K391 HydrophobicContact CD1-CG 4.02Å; Y387-K391 HydrophobicContact CE1-CD 4.4Å; Y387-K391 HydrophobicContact CE1-CG 3.65Å; Y387-K391 WeakPolarHBondContact O-CB 3.45Å; Y387-K391 WeakPolarHBondContact O-CG 3.38Å; Y387-K391 PolarHBondContact O-N 3.37Å; Y387-K391 VanDerWaalsContact OH-CE 3.29Å; Y387-K391 WeakPolarHBondContact OH-CE 3.3Å; Y387-F425 AromaticContact CD2-CD1 3.94Å; Y387-F425 HydrophobicContact CD2-CD1 3.94Å; Y387-F425 AromaticContact CD2-CE1 3.73Å; Y387-F425 HydrophobicContact CD2-CE1 3.73Å; Y387-F425 AromaticContact CE2-CD1 3.73Å; Y387-F425 HydrophobicContact CE2-CD1 3.73Å; Y387-F425 AromaticContact CE2-CE1 3.64Å; Y387-F425 HydrophobicContact CE2-CE1 3.64Å; Y387-F425 HydrophobicContact CG-CE1 4.4Å |
| 388 | Y | 92.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.7 | -50.5 | 174.4 | 163.6 | -97.6 | 0 | 0 | 0 | 112.1 | I349 L352 A353 V356 E364 F377 Y384 Y385 A390 K391 V392 | I349-Y388 HydrophobicContact CG2-CD2 4.25Å; L352-Y388 HydrophobicContact CD2-CD2 4.24Å; L352-Y388 HydrophobicContact CD2-CE2 3.71Å; L352-Y388 HydrophobicContact CG-CE2 4.33Å; A353-Y388 HydrophobicContact CB-CD2 4.3Å; A353-Y388 HydrophobicContact CB-CE2 4.43Å; V356-Y388 HydrophobicContact CG2-CE2 4.41Å; V356-Y388 WeakPolarHBondContact CG2-OH 3.28Å; E364-Y388 WeakPolarHBondContact CG-OH 3.42Å; E364-Y388 WeakPolarHBondContact OE2-CE1 3.36Å; E364-Y388 PolarHBondContact OE2-OH 3.2Å; F377-Y388 HydrophobicContact CD2-CD2 4.18Å; F377-Y388 HydrophobicContact CD2-CG 4.22Å; F377-Y388 HydrophobicContact CE2-CD2 4.01Å; Y384-Y388 PolarHBondContact O-N 2.86Å; Y385-Y388 AromaticContact CD2-CD1 3.66Å; Y385-Y388 HydrophobicContact CD2-CD1 3.66Å; Y385-Y388 HydrophobicContact CD2-CE1 4.23Å; Y385-Y388 AromaticContact CE2-CD1 3.98Å; Y385-Y388 HydrophobicContact CE2-CD1 3.98Å; Y385-Y388 HydrophobicContact CE2-CE1 4.12Å; Y385-Y388 PolarHBondContact O-N 3.42Å; Y388-A390 VanDerWaalsContact C-N 3.31Å; Y388-A390 PolarHBondContact O-N 3.44Å; Y388-K391 PolarHBondContact O-N 2.84Å; Y388-K391 VanDerWaalsContact O-N 3.14Å; Y388-V392 HydrophobicContact CD2-CG2 4.22Å; Y388-V392 HydrophobicContact CE1-CG2 4.24Å; Y388-V392 HydrophobicContact CE2-CG2 3.67Å; Y388-V392 WeakPolarHBondContact O-CG2 3.35Å; Y388-V392 PolarHBondContact O-N 3.34Å |
| 389 | K | 90 | Very high | 88 | Confident | 42 Ų | 42 | 57.4 Ų | 57.4 | 18% | 0.183 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -54.2 | -47.6 | 175 | -83.2 | -84.7 | -176.4 | 169.4 | 0 | 111.7 | Y326 Y385 S386 K391 V392 Q393 | Y326-K389 PolarHBondContact OH-NZ 3.47Å; Y385-K389 HydrophobicContact CD2-CG 4.23Å; Y385-K389 HydrophobicContact CE1-CG 4.4Å; Y385-K389 HydrophobicContact CE2-CD 4.4Å; Y385-K389 HydrophobicContact CE2-CG 3.98Å; Y385-K389 WeakPolarHBondContact O-CB 3.42Å; Y385-K389 VanDerWaalsContact O-CG 3.3Å; Y385-K389 WeakPolarHBondContact O-CG 3.1Å; Y385-K389 PolarHBondContact O-N 3.15Å; Y385-K389 WeakPolarHBondContact OH-CE 3.46Å; Y385-K389 PolarHBondContact OH-NZ 3.19Å; S386-K389 PolarHBondContact O-N 3.18Å; K389-K391 PolarHBondContact O-N 3.04Å; K389-V392 PolarHBondContact O-N 2.98Å; K389-Q393 PolarHBondContact O-N 3.44Å; K389-Q393 VanDerWaalsContact O-N 3.12Å |
| 390 | A | 88.4 | Confident | 87.9 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 2% | 0.017 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.7 | -45.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S386 Y387 Y388 Q393 W394 I423 F425 | S386-A390 VanDerWaalsContact O-CB 3.24Å; S386-A390 WeakPolarHBondContact O-CB 3.4Å; S386-A390 PolarHBondContact O-N 3.05Å; Y387-A390 WeakPolarHBondContact O-CB 3.27Å; Y387-A390 PolarHBondContact O-N 3.29Å; Y388-A390 VanDerWaalsContact C-N 3.31Å; Y388-A390 PolarHBondContact O-N 3.44Å; A390-Q393 PolarHBondContact O-N 2.76Å; A390-W394 WeakPolarHBondContact O-CB 3.5Å; A390-W394 PolarHBondContact O-N 3.34Å; A390-I423 HydrophobicContact CB-CD1 3.8Å; A390-I423 HydrophobicContact CB-CG2 3.65Å; A390-F425 HydrophobicContact CB-CE1 3.97Å; A390-F425 HydrophobicContact CB-CZ 3.69Å |
| 391 | K | 91.5 | Very high | 87.8 | Confident | 24 Ų | 24 | 50.4 Ų | 50.4 | 10% | 0.104 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.5 | -41 | 179.1 | -80.1 | -76.8 | -178.2 | 138.5 | 0 | 113 | D350 A353 Y387 Y388 K389 Q393 W394 F395 F425 | D350-K391 WeakPolarHBondContact OD1-CD 3.22Å; D350-K391 WeakPolarHBondContact OD1-CE 3.23Å; D350-K391 WeakPolarHBondContact OD1-CG 3.4Å; D350-K391 IonicContact OD1-NZ 3.2Å; D350-K391 PolarHBondContact OD1-NZ 3.48Å; D350-K391 IonicContact OD2-NZ 2.67Å; D350-K391 PolarHBondContact OD2-NZ 3.16Å; A353-K391 HydrophobicContact CB-CB 3.56Å; Y387-K391 HydrophobicContact CD1-CG 4.02Å; Y387-K391 HydrophobicContact CE1-CD 4.4Å; Y387-K391 HydrophobicContact CE1-CG 3.65Å; Y387-K391 WeakPolarHBondContact O-CB 3.45Å; Y387-K391 WeakPolarHBondContact O-CG 3.38Å; Y387-K391 PolarHBondContact O-N 3.37Å; Y387-K391 VanDerWaalsContact OH-CE 3.29Å; Y387-K391 WeakPolarHBondContact OH-CE 3.3Å; Y388-K391 PolarHBondContact O-N 2.84Å; Y388-K391 VanDerWaalsContact O-N 3.14Å; K389-K391 PolarHBondContact O-N 3.04Å; K391-Q393 VanDerWaalsContact C-N 3.34Å; K391-Q393 PolarHBondContact O-N 3.2Å; K391-W394 HydrophobicContact CD-CE3 4.34Å; K391-W394 PolarHBondContact O-N 2.83Å; K391-F395 HydrophobicContact CB-CE2 4.43Å; K391-F395 HydrophobicContact CD-CE2 4.25Å; K391-F395 WeakPolarHBondContact O-CD2 3.49Å; K391-F395 PolarHBondContact O-N 2.77Å; K391-F425 HydrophobicContact CD-CZ 4.32Å; K391-F425 HydrophobicContact CG-CE1 4.42Å; K391-F425 HydrophobicContact CG-CZ 4.22Å |
| 392 | V | 91.4 | Very high | 87.8 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 174.8 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | A353 V356 Y388 K389 Q396 | A353-V392 HydrophobicContact CB-CG2 3.76Å; V356-V392 HydrophobicContact CB-CG2 4.12Å; V356-V392 HydrophobicContact CG1-CG1 3.93Å; V356-V392 HydrophobicContact CG1-CG2 3.94Å; Y388-V392 HydrophobicContact CD2-CG2 4.22Å; Y388-V392 HydrophobicContact CE1-CG2 4.24Å; Y388-V392 HydrophobicContact CE2-CG2 3.67Å; Y388-V392 WeakPolarHBondContact O-CG2 3.35Å; Y388-V392 PolarHBondContact O-N 3.34Å; K389-V392 PolarHBondContact O-N 2.98Å; V392-Q396 WeakPolarHBondContact O-CB 3.38Å; V392-Q396 VanDerWaalsContact O-CG 3.25Å; V392-Q396 WeakPolarHBondContact O-CG 3.5Å; V392-Q396 PolarHBondContact O-N 3.18Å; V392-Q396 VanDerWaalsContact O-N 3.08Å |
| 393 | Q | 87.6 | Confident | 87.8 | Confident | 77 Ų | 77 | 48.8 Ų | 48.8 | 36% | 0.36 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.2 | -38.1 | 176.4 | -72.1 | -177.5 | -31.7 | 0 | 0 | 112.7 | K389 A390 K391 Q396 Y397 | K389-Q393 PolarHBondContact O-N 3.44Å; K389-Q393 VanDerWaalsContact O-N 3.12Å; A390-Q393 PolarHBondContact O-N 2.76Å; K391-Q393 VanDerWaalsContact C-N 3.34Å; K391-Q393 PolarHBondContact O-N 3.2Å; Q393-Q396 PolarHBondContact O-N 3.47Å; Q393-Y397 WeakPolarHBondContact O-CB 3.36Å; Q393-Y397 PolarHBondContact O-N 3.49Å |
| 394 | W | 88.6 | Confident | 87.5 | Confident | 118 Ų | 118 | 50 Ų | 50 | 45% | 0.447 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.7 | -48.1 | 178.9 | -175.7 | 71.6 | 0 | 0 | 0 | 112.2 | A390 K391 Q396 Y397 E398 | A390-W394 WeakPolarHBondContact O-CB 3.5Å; A390-W394 PolarHBondContact O-N 3.34Å; K391-W394 HydrophobicContact CD-CE3 4.34Å; K391-W394 PolarHBondContact O-N 2.83Å; W394-Q396 PolarHBondContact O-N 3.48Å; W394-Y397 PolarHBondContact O-N 2.88Å; W394-E398 PolarHBondContact O-N 2.74Å |
| 395 | F | 91.7 | Very high | 87.2 | Confident | 27 Ų | 27 | 56.3 Ų | 56.3 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.5 | -39.3 | 175 | -72.6 | -60.3 | 0 | 0 | 0 | 112.4 | D350 A353 E354 A357 K391 Y397 E398 D399 | D350-F395 WeakPolarHBondContact O-CE2 3.29Å; A353-F395 HydrophobicContact CB-CD2 3.98Å; A353-F395 HydrophobicContact CB-CE2 3.96Å; E354-F395 HydrophobicContact CB-CD2 4.15Å; E354-F395 HydrophobicContact CB-CE1 4.28Å; E354-F395 HydrophobicContact CB-CE2 3.88Å; E354-F395 HydrophobicContact CB-CG 4.48Å; E354-F395 HydrophobicContact CB-CZ 3.94Å; E354-F395 HydrophobicContact CG-CE1 4.37Å; E354-F395 HydrophobicContact CG-CZ 4.49Å; A357-F395 HydrophobicContact CB-CB 3.52Å; K391-F395 HydrophobicContact CB-CE2 4.43Å; K391-F395 HydrophobicContact CD-CE2 4.25Å; K391-F395 WeakPolarHBondContact O-CD2 3.49Å; K391-F395 PolarHBondContact O-N 2.77Å; F395-Y397 VanDerWaalsContact C-N 3.26Å; F395-Y397 PolarHBondContact O-N 2.95Å; F395-E398 PolarHBondContact O-N 3.36Å; F395-D399 PolarHBondContact O-N 3.23Å |
| 396 | Q | 87 | Confident | 87 | Confident | 85 Ų | 85 | 61.6 Ų | 61.6 | 40% | 0.397 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.9 | -34.3 | 174.5 | -75.6 | 174.3 | -13.2 | 0 | 0 | 112.7 | A357 V392 Q393 W394 L400 | A357-Q396 HydrophobicContact CB-CG 3.87Å; V392-Q396 WeakPolarHBondContact O-CB 3.38Å; V392-Q396 VanDerWaalsContact O-CG 3.25Å; V392-Q396 WeakPolarHBondContact O-CG 3.5Å; V392-Q396 PolarHBondContact O-N 3.18Å; V392-Q396 VanDerWaalsContact O-N 3.08Å; Q393-Q396 PolarHBondContact O-N 3.47Å; W394-Q396 PolarHBondContact O-N 3.48Å; Q396-L400 WeakPolarHBondContact O-CB 3.2Å; Q396-L400 PolarHBondContact O-N 2.92Å; Q396-L400 VanDerWaalsContact O-N 3.12Å |
| 397 | Y | 84.5 | Confident | 86.6 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 38% | 0.38 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -76.6 | -35.4 | 175.9 | -173.2 | -121.6 | 0 | 0 | 0 | 112.4 | Q393 W394 F395 L400 I401 H421 | Q393-Y397 WeakPolarHBondContact O-CB 3.36Å; Q393-Y397 PolarHBondContact O-N 3.49Å; W394-Y397 PolarHBondContact O-N 2.88Å; F395-Y397 VanDerWaalsContact C-N 3.26Å; F395-Y397 PolarHBondContact O-N 2.95Å; Y397-L400 HydrophobicContact CD2-CD2 4.18Å; Y397-L400 WeakPolarHBondContact O-CB 3.34Å; Y397-L400 PolarHBondContact O-N 3.07Å; Y397-I401 HydrophobicContact CD1-CD1 3.74Å; Y397-I401 HydrophobicContact CD2-CD1 4.49Å; Y397-I401 HydrophobicContact CE1-CD1 3.4Å; Y397-I401 VanDerWaalsContact CE1-CD1 3.4Å; Y397-I401 HydrophobicContact CE1-CG1 4.35Å; Y397-I401 HydrophobicContact CE2-CD1 4.2Å; Y397-I401 HydrophobicContact CE2-CG1 4.29Å; Y397-I401 HydrophobicContact CG-CD1 4.28Å; Y397-I401 WeakPolarHBondContact O-CG1 3.28Å; Y397-I401 PolarHBondContact O-N 3.37Å; Y397-H421 AromaticContact CE1-CD2 3.74Å |
| 398 | E | 86.1 | Confident | 86.3 | Confident | 95 Ų | 95 | 68 Ų | 68 | 44% | 0.444 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.7 | -48 | 172.1 | -170.3 | 171.2 | -148.6 | 0 | 0 | 111.3 | W394 F395 L400 I401 A402 | W394-E398 PolarHBondContact O-N 2.74Å; F395-E398 PolarHBondContact O-N 3.36Å; E398-L400 PolarHBondContact O-N 3.4Å; E398-I401 PolarHBondContact O-N 3.15Å; E398-A402 WeakPolarHBondContact O-CB 3.38Å; E398-A402 PolarHBondContact O-N 3.04Å |
| 399 | D | 85.3 | Confident | 85.4 | Confident | 59 Ų | 59 | 69.8 Ų | 69.8 | 32% | 0.316 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.8 | -24.9 | 173.1 | -82.2 | -22.5 | 0 | 0 | 0 | 112.8 | F395 R403 | F395-D399 PolarHBondContact O-N 3.23Å; D399-R403 WeakPolarHBondContact O-CG 3.32Å; D399-R403 PolarHBondContact O-N 3.02Å; D399-R403 PolarHBondContact O-NE 3.5Å |
| 400 | L | 82.2 | Confident | 84.8 | Confident | 11 Ų | 11 | 71.6 Ų | 71.6 | 6% | 0.058 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -76.2 | -47.7 | 174.4 | -168.2 | 79.7 | 0 | 0 | 0 | 111.3 | Q396 Y397 E398 R403 Y404 L409 M414 L417 | Q396-L400 WeakPolarHBondContact O-CB 3.2Å; Q396-L400 PolarHBondContact O-N 2.92Å; Q396-L400 VanDerWaalsContact O-N 3.12Å; Y397-L400 HydrophobicContact CD2-CD2 4.18Å; Y397-L400 WeakPolarHBondContact O-CB 3.34Å; Y397-L400 PolarHBondContact O-N 3.07Å; E398-L400 PolarHBondContact O-N 3.4Å; L400-R403 PolarHBondContact O-N 3.32Å; L400-Y404 PolarHBondContact O-N 3.24Å; L400-L409 HydrophobicContact CD1-CD1 3.61Å; L400-L409 HydrophobicContact CG-CD1 4.21Å; L400-M414 HydrophobicContact CD1-CE 3.99Å; L400-M414 HydrophobicContact CD2-CE 3.99Å; L400-M414 HydrophobicContact CD2-SD 4.07Å; L400-M414 HydrophobicContact CG-CE 3.64Å; L400-M414 HydrophobicContact CG-SD 4.11Å; L400-L417 HydrophobicContact CD1-CD1 4.24Å; L400-L417 HydrophobicContact CD2-CB 4.31Å; L400-L417 HydrophobicContact CD2-CD1 3.74Å |
| 401 | I | 83 | Confident | 84.1 | Confident | 57 Ų | 57 | 74.3 Ų | 74.3 | 29% | 0.292 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 176 | -73.8 | 167.4 | 0 | 0 | 0 | 110.8 | Y397 E398 R403 Y404 Y405 | Y397-I401 HydrophobicContact CD1-CD1 3.74Å; Y397-I401 HydrophobicContact CD2-CD1 4.49Å; Y397-I401 HydrophobicContact CE1-CD1 3.4Å; Y397-I401 VanDerWaalsContact CE1-CD1 3.4Å; Y397-I401 HydrophobicContact CE1-CG1 4.35Å; Y397-I401 HydrophobicContact CE2-CD1 4.2Å; Y397-I401 HydrophobicContact CE2-CG1 4.29Å; Y397-I401 HydrophobicContact CG-CD1 4.28Å; Y397-I401 WeakPolarHBondContact O-CG1 3.28Å; Y397-I401 PolarHBondContact O-N 3.37Å; E398-I401 PolarHBondContact O-N 3.15Å; I401-R403 VanDerWaalsContact C-N 3.32Å; I401-R403 PolarHBondContact O-N 3.4Å; I401-Y404 WeakPolarHBondContact O-CB 3.4Å; I401-Y404 PolarHBondContact O-N 2.77Å; I401-Y404 VanDerWaalsContact O-N 3.17Å; I401-Y405 HydrophobicContact CG2-CD2 3.56Å; I401-Y405 HydrophobicContact CG2-CE2 3.53Å; I401-Y405 WeakPolarHBondContact O-CD2 3.44Å; I401-Y405 PolarHBondContact O-N 3.42Å |
| 402 | A | 86 | Confident | 83.1 | Confident | 36 Ų | 36 | 76.1 Ų | 76.1 | 30% | 0.298 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E398 Y404 Y405 Q406 | E398-A402 WeakPolarHBondContact O-CB 3.38Å; E398-A402 PolarHBondContact O-N 3.04Å; A402-Y404 PolarHBondContact O-N 3.34Å; A402-Y405 PolarHBondContact O-N 3.26Å; A402-Q406 WeakPolarHBondContact O-CB 3.16Å; A402-Q406 VanDerWaalsContact O-CD 3.28Å; A402-Q406 WeakPolarHBondContact O-CG 3.26Å; A402-Q406 PolarHBondContact O-N 2.84Å |
| 403 | R | 85.7 | Confident | 82.1 | Confident | 104 Ų | 104 | 78.7 Ų | 78.7 | 39% | 0.392 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.7 | -32 | 176.4 | -81.2 | -179.3 | -67.8 | 151.9 | -0.6 | 113.8 | D399 L400 I401 G407 T408 L409 | D399-R403 WeakPolarHBondContact O-CG 3.32Å; D399-R403 PolarHBondContact O-N 3.02Å; D399-R403 PolarHBondContact O-NE 3.5Å; L400-R403 PolarHBondContact O-N 3.32Å; I401-R403 VanDerWaalsContact C-N 3.32Å; I401-R403 PolarHBondContact O-N 3.4Å; R403-G407 PolarHBondContact O-N 3.15Å; R403-T408 WeakPolarHBondContact CA-OG1 3.49Å; R403-T408 VanDerWaalsContact CB-OG1 3.28Å; R403-T408 WeakPolarHBondContact CB-OG1 3.37Å; R403-T408 PolarHBondContact O-N 3.28Å; R403-T408 PolarHBondContact O-OG1 3.19Å; R403-L409 HydrophobicContact CB-CD1 3.55Å; R403-L409 HydrophobicContact CB-CG 4Å; R403-L409 PolarHBondContact O-N 3.23Å |
| 404 | Y | 82.4 | Confident | 81.2 | Confident | 98 Ų | 98 | 76.7 Ų | 76.7 | 38% | 0.384 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67 | -50.9 | 173.2 | 174.6 | -101.5 | 0 | 0 | 0 | 111.6 | L400 I401 A402 Q406 G407 M414 | L400-Y404 PolarHBondContact O-N 3.24Å; I401-Y404 WeakPolarHBondContact O-CB 3.4Å; I401-Y404 PolarHBondContact O-N 2.77Å; I401-Y404 VanDerWaalsContact O-N 3.17Å; A402-Y404 PolarHBondContact O-N 3.34Å; Y404-Q406 PolarHBondContact O-N 2.83Å; Y404-G407 PolarHBondContact O-N 3.02Å; Y404-M414 HydrophobicContact CD2-CE 4.32Å; Y404-M414 HydrophobicContact CD2-CG 3.91Å; Y404-M414 HydrophobicContact CD2-SD 4.05Å; Y404-M414 HydrophobicContact CE2-CG 4.26Å; Y404-M414 HydrophobicContact CG-CE 4.5Å; Y404-M414 HydrophobicContact CG-CG 4.37Å; Y404-M414 HydrophobicContact CG-SD 4Å |
| 405 | Y | 81.9 | Confident | 79.9 | Confident | 190 Ų | 190 | 75.5 Ų | 75.5 | 75% | 0.745 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -66.9 | -23.4 | 176.6 | -74.9 | -62.7 | 0 | 0 | 0 | 113.7 | I401 A402 G407 | I401-Y405 HydrophobicContact CG2-CD2 3.56Å; I401-Y405 HydrophobicContact CG2-CE2 3.53Å; I401-Y405 WeakPolarHBondContact O-CD2 3.44Å; I401-Y405 PolarHBondContact O-N 3.42Å; A402-Y405 PolarHBondContact O-N 3.26Å; Y405-G407 PolarHBondContact O-N 3.43Å |
| 406 | Q | 85.5 | Confident | 78.3 | Confident | 138 Ų | 138 | 79.8 Ų | 79.8 | 65% | 0.645 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 0.3 | 169.5 | -70.2 | 163.7 | 19.8 | 0 | 0 | 113.7 | A402 Y404 T408 | A402-Q406 WeakPolarHBondContact O-CB 3.16Å; A402-Q406 VanDerWaalsContact O-CD 3.28Å; A402-Q406 WeakPolarHBondContact O-CG 3.26Å; A402-Q406 PolarHBondContact O-N 2.84Å; Y404-Q406 PolarHBondContact O-N 2.83Å; Q406-T408 VanDerWaalsContact C-N 3.28Å; Q406-T408 HydrophobicContact CB-CG2 4.27Å; Q406-T408 PolarHBondContact O-N 3.03Å |
| 407 | G | 77.9 | Confident | 76.6 | Confident | 67 Ų | 67 | 80.5 Ų | 80.5 | 69% | 0.691 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 16.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R403 Y404 Y405 | R403-G407 PolarHBondContact O-N 3.15Å; Y404-G407 PolarHBondContact O-N 3.02Å; Y405-G407 PolarHBondContact O-N 3.43Å |
| 408 | T | 82.3 | Confident | 74.7 | Confident | 88 Ų | 88 | 82.3 Ų | 82.3 | 54% | 0.54 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -94.9 | -8.1 | -177.6 | 67.1 | 0 | 0 | 0 | 0 | 114.1 | R403 Q406 | R403-T408 WeakPolarHBondContact CA-OG1 3.49Å; R403-T408 VanDerWaalsContact CB-OG1 3.28Å; R403-T408 WeakPolarHBondContact CB-OG1 3.37Å; R403-T408 PolarHBondContact O-N 3.28Å; R403-T408 PolarHBondContact O-OG1 3.19Å; Q406-T408 VanDerWaalsContact C-N 3.28Å; Q406-T408 HydrophobicContact CB-CG2 4.27Å; Q406-T408 PolarHBondContact O-N 3.03Å |
| 409 | L | 75.2 | Confident | 72.6 | Confident | 37 Ų | 37 | 86.5 Ų | 86.5 | 19% | 0.194 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -130.8 | 147 | 175.8 | -69 | 172 | 0 | 0 | 0 | 109.9 | L400 R403 D413 M414 | L400-L409 HydrophobicContact CD1-CD1 3.61Å; L400-L409 HydrophobicContact CG-CD1 4.21Å; R403-L409 HydrophobicContact CB-CD1 3.55Å; R403-L409 HydrophobicContact CB-CG 4Å; R403-L409 PolarHBondContact O-N 3.23Å; L409-D413 HydrophobicContact CB-CB 4.27Å; L409-D413 HydrophobicContact CD2-CB 3.99Å; L409-M414 HydrophobicContact CB-CE 3.81Å; L409-M414 HydrophobicContact CD1-CE 3.67Å; L409-M414 HydrophobicContact CG-CE 4.35Å |
| 410 | T | 77.8 | Confident | 70.7 | Confident | 80 Ų | 80 | 86.3 Ų | 86.3 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | trans | -89.4 | 168.3 | 175.6 | 75.8 | 0 | 0 | 0 | 0 | 111.4 | A412 D413 M414 | T410-A412 PolarHBondContact O-N 2.87Å; T410-A412 PolarHBondContact OG1-N 3.22Å; T410-D413 WeakPolarHBondContact CA-OD2 3.43Å; T410-D413 VanDerWaalsContact CB-OD2 3.29Å; T410-D413 WeakPolarHBondContact CB-OD2 3.15Å; T410-D413 PolarHBondContact N-OD2 2.7Å; T410-D413 PolarHBondContact O-N 2.87Å; T410-D413 VanDerWaalsContact O-N 3.12Å; T410-D413 PolarHBondContact OG1-N 3.13Å; T410-D413 PolarHBondContact OG1-OD2 3.11Å; T410-M414 PolarHBondContact O-N 3.25Å | ||
| 411 | A | 72.9 | Confident | 68.7 | Low | 59 Ų | 59 | 92.6 Ų | 92.6 | 49% | 0.488 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -62.9 | -24.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D413 M414 | A411-D413 VanDerWaalsContact C-N 3.33Å; A411-M414 PolarHBondContact O-N 3.46Å |
| 412 | A | 70.9 | Confident | 66.5 | Low | 63 Ų | 63 | 101 Ų | 101 | 52% | 0.521 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.7 | -34.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | T410 M414 N415 | T410-A412 PolarHBondContact O-N 2.87Å; T410-A412 PolarHBondContact OG1-N 3.22Å; A412-M414 PolarHBondContact O-N 2.99Å; A412-N415 PolarHBondContact O-N 3.27Å |
| 413 | D | 68.8 | Low | 64.5 | Low | 66 Ų | 66 | 102.3 Ų | 102.3 | 35% | 0.353 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -74.8 | -10.8 | 178.3 | -50 | -60.9 | 0 | 0 | 0 | 113.2 | L409 T410 A411 T416 | L409-D413 HydrophobicContact CB-CB 4.27Å; L409-D413 HydrophobicContact CD2-CB 3.99Å; T410-D413 WeakPolarHBondContact CA-OD2 3.43Å; T410-D413 VanDerWaalsContact CB-OD2 3.29Å; T410-D413 WeakPolarHBondContact CB-OD2 3.15Å; T410-D413 PolarHBondContact N-OD2 2.7Å; T410-D413 PolarHBondContact O-N 2.87Å; T410-D413 VanDerWaalsContact O-N 3.12Å; T410-D413 PolarHBondContact OG1-N 3.13Å; T410-D413 PolarHBondContact OG1-OD2 3.11Å; A411-D413 VanDerWaalsContact C-N 3.33Å; D413-T416 PolarHBondContact O-OG1 2.74Å |
| 414 | M | 69.3 | Low | 62.4 | Low | 36 Ų | 36 | 105 Ų | 105 | 18% | 0.177 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -81.9 | -35.7 | 168 | -59.1 | -60.5 | 96.1 | 0 | 0 | 111.6 | L400 Y404 L409 T410 A411 A412 T416 L417 | L400-M414 HydrophobicContact CD1-CE 3.99Å; L400-M414 HydrophobicContact CD2-CE 3.99Å; L400-M414 HydrophobicContact CD2-SD 4.07Å; L400-M414 HydrophobicContact CG-CE 3.64Å; L400-M414 HydrophobicContact CG-SD 4.11Å; Y404-M414 HydrophobicContact CD2-CE 4.32Å; Y404-M414 HydrophobicContact CD2-CG 3.91Å; Y404-M414 HydrophobicContact CD2-SD 4.05Å; Y404-M414 HydrophobicContact CE2-CG 4.26Å; Y404-M414 HydrophobicContact CG-CE 4.5Å; Y404-M414 HydrophobicContact CG-CG 4.37Å; Y404-M414 HydrophobicContact CG-SD 4Å; L409-M414 HydrophobicContact CB-CE 3.81Å; L409-M414 HydrophobicContact CD1-CE 3.67Å; L409-M414 HydrophobicContact CG-CE 4.35Å; T410-M414 PolarHBondContact O-N 3.25Å; A411-M414 PolarHBondContact O-N 3.46Å; A412-M414 PolarHBondContact O-N 2.99Å; M414-T416 VanDerWaalsContact C-N 3.3Å; M414-T416 PolarHBondContact O-N 2.78Å; M414-L417 PolarHBondContact O-N 3.28Å; M414-L417 VanDerWaalsContact O-N 3.15Å |
| 415 | N | 60.8 | Low | 60.5 | Low | 92 Ų | 92 | 104.1 Ų | 104.1 | 49% | 0.492 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.5 | -25.5 | -173.2 | -68.7 | -13.8 | 0 | 0 | 0 | 113 | A412 L417 Q418 | A412-N415 PolarHBondContact O-N 3.27Å; N415-L417 PolarHBondContact O-N 2.87Å; N415-L417 VanDerWaalsContact O-N 3.16Å; N415-Q418 PolarHBondContact O-N 3.48Å; N415-Q418 PolarHBondContact OD1-OE1 2.66Å |
| 416 | T | 58.3 | Low | 58.4 | Low | 118 Ų | 118 | 98.3 Ų | 98.3 | 72% | 0.724 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -9.6 | 172.6 | 45.6 | 0 | 0 | 0 | 0 | 114.1 | D413 M414 | D413-T416 PolarHBondContact O-OG1 2.74Å; M414-T416 VanDerWaalsContact C-N 3.3Å; M414-T416 PolarHBondContact O-N 2.78Å |
| 417 | L | 52.3 | Low | 55.9 | Low | 99 Ų | 99 | 95.1 Ų | 95.1 | 52% | 0.518 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | 12.4 | 176 | -85.6 | 161.3 | 0 | 0 | 0 | 114.1 | L400 M414 N415 M419 | L400-L417 HydrophobicContact CD1-CD1 4.24Å; L400-L417 HydrophobicContact CD2-CB 4.31Å; L400-L417 HydrophobicContact CD2-CD1 3.74Å; M414-L417 PolarHBondContact O-N 3.28Å; M414-L417 VanDerWaalsContact O-N 3.15Å; N415-L417 PolarHBondContact O-N 2.87Å; N415-L417 VanDerWaalsContact O-N 3.16Å; L417-M419 PolarHBondContact O-N 3.42Å |
| 418 | Q | 43.8 | Very low | 54.1 | Low | 135 Ų | 135 | 99.6 Ų | 99.6 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 65.3 | 173.7 | -80.9 | -174.2 | -39.1 | 0 | 0 | 113.2 | N415 | N415-Q418 PolarHBondContact O-N 3.48Å; N415-Q418 PolarHBondContact OD1-OE1 2.66Å |
| 419 | M | 43.4 | Very low | 51.8 | Low | 184 Ų | 184 | 101.1 Ų | 101.1 | 91% | 0.906 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.7 | 2.2 | 173.8 | -140.8 | 67.9 | 67.4 | 0 | 0 | 117 | L417 | L417-M419 PolarHBondContact O-N 3.42Š|
| 420 | S | 44.4 | Very low | 49.7 | Very low | 55 Ų | 55 | 107.2 Ų | 107.2 | 39% | 0.385 | 59% | 0.585 | S | S | . | * | trans | -125.1 | 5.7 | -174.4 | 59.9 | 0 | 0 | 0 | 0 | 116.3 | Y422 | S420-Y422 PolarHBondContact O-N 3.35Š| ||
| 421 | H | 40.8 | Very low | 47.7 | Very low | 143 Ų | 143 | 109.2 Ų | 109.2 | 66% | 0.662 | 60% | 0.597 | S | S | * | * | trans | -76.7 | 45.3 | -174.9 | -162.1 | -73.2 | 0 | 0 | 0 | 114.1 | Y397 | Y397-H421 AromaticContact CE1-CD2 3.74Š| ||
| 422 | Y | 36.3 | Very low | 45.7 | Very low | 234 Ų | 234 | 115.2 Ų | 115.2 | 92% | 0.918 | 62% | 0.615 | S | S | * | * | trans | -140.3 | 41.2 | 175 | -80.8 | -71.8 | 0 | 0 | 0 | 112.5 | S420 L424 | S420-Y422 PolarHBondContact O-N 3.35Å; Y422-L424 PolarHBondContact O-N 3.1Å | ||
| 423 | I | 44.7 | Very low | 44.1 | Very low | 62 Ų | 62 | 118.7 Ų | 118.7 | 32% | 0.318 | 63% | 0.629 | S | S | . | * | trans | -95.4 | 87 | 166 | -52.7 | -176 | 0 | 0 | 0 | 109.8 | V338 A390 F425 | V338-I423 HydrophobicContact CG2-CG2 3.96Å; A390-I423 HydrophobicContact CB-CD1 3.8Å; A390-I423 HydrophobicContact CB-CG2 3.65Å; I423-F425 HydrophobicContact CG2-CD2 4.48Å; I423-F425 HydrophobicContact CG2-CE2 4.3Å; I423-F425 HydrophobicContact CG2-CZ 4.47Å; I423-F425 PolarHBondContact O-N 3.45Å; I423-F425 VanDerWaalsContact O-N 3.15Å | ||
| 424 | L | 40.1 | Very low | 42.5 | Very low | 160 Ų | 160 | 124.4 Ų | 124.4 | 84% | 0.838 | 65% | 0.654 | S | S | * | * | trans | -75.6 | 94.3 | 175.2 | -166.5 | 77.7 | 0 | 0 | 0 | 109.3 | Y422 P426 | Y422-L424 PolarHBondContact O-N 3.1Å; L424-P426 VanDerWaalsContact O-CD 3.23Å; L424-P426 WeakPolarHBondContact O-CD 3.34Å | ||
| 425 | F | 44.4 | Very low | 40.8 | Very low | 80 Ų | 80 | 132.2 Ų | 132.2 | 35% | 0.351 | 69% | 0.687 | S | S | . | * | trans | -64.9 | 115.3 | 173 | -73.6 | -83.4 | 0 | 0 | 0 | 110.3 | V338 Y387 A390 K391 I423 | V338-F425 HydrophobicContact CG1-CD1 3.97Å; V338-F425 HydrophobicContact CG1-CE1 4.28Å; Y387-F425 AromaticContact CD2-CD1 3.94Å; Y387-F425 HydrophobicContact CD2-CD1 3.94Å; Y387-F425 AromaticContact CD2-CE1 3.73Å; Y387-F425 HydrophobicContact CD2-CE1 3.73Å; Y387-F425 AromaticContact CE2-CD1 3.73Å; Y387-F425 HydrophobicContact CE2-CD1 3.73Å; Y387-F425 AromaticContact CE2-CE1 3.64Å; Y387-F425 HydrophobicContact CE2-CE1 3.64Å; Y387-F425 HydrophobicContact CG-CE1 4.4Å; A390-F425 HydrophobicContact CB-CE1 3.97Å; A390-F425 HydrophobicContact CB-CZ 3.69Å; K391-F425 HydrophobicContact CD-CZ 4.32Å; K391-F425 HydrophobicContact CG-CE1 4.42Å; K391-F425 HydrophobicContact CG-CZ 4.22Å; I423-F425 HydrophobicContact CG2-CD2 4.48Å; I423-F425 HydrophobicContact CG2-CE2 4.3Å; I423-F425 HydrophobicContact CG2-CZ 4.47Å; I423-F425 PolarHBondContact O-N 3.45Å; I423-F425 VanDerWaalsContact O-N 3.15Å | ||
| 426 | P | 36.4 | Very low | 39.7 | Very low | 68 Ų | 68 | 133.5 Ų | 133.5 | 44% | 0.442 | 70% | 0.7 | S | S | . | * | trans | -83.5 | 137.3 | 179.8 | 33.5 | -32.1 | 0 | 0 | 0 | 111.2 | V338 L424 | V338-P426 WeakPolarHBondContact O-CG 3.48Å; L424-P426 VanDerWaalsContact O-CD 3.23Å; L424-P426 WeakPolarHBondContact O-CD 3.34Å | ||
| 427 | G | 33.8 | Very low | 38.4 | Very low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 71% | 0.708 | S | S | * | * | trans | 88.5 | 102 | 161.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 428 | K | 40.6 | Very low | 37.6 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 70% | 0.696 | 72% | 0.722 | S | S | * | * | S | Bend | -71.1 | 147 | 125.8 | -71.7 | 173.7 | 179 | 171.4 | 0 | 106.9 | I430 | K428-I430 PolarHBondContact O-N 3.18Š| |
| 429 | P | 32.9 | Very low | 37.4 | Very low | 121 Ų | 121 | 130 Ų | 130 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 138.8 | -175.1 | 24.6 | -34.1 | 0 | 0 | 0 | 111.5 | V431 | P429-V431 PolarHBondContact O-N 2.56Š|
| 430 | I | 30.9 | Very low | 37.2 | Very low | 165 Ų | 165 | 127.2 Ų | 127.2 | 85% | 0.846 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 118.4 | 165.6 | -64.6 | 173.4 | 0 | 0 | 0 | 106.3 | K428 E432 | K428-I430 PolarHBondContact O-N 3.18Å; I430-E432 PolarHBondContact O-N 3.2Å |
| 431 | V | 35.1 | Very low | 36.9 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 74% | 0.739 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 130.1 | 171.9 | 175.5 | 0 | 0 | 0 | 0 | 108.2 | P429 V433 | P429-V431 PolarHBondContact O-N 2.56Å; V431-V433 PolarHBondContact O-N 3.08Å |
| 432 | E | 31 | Very low | 36.7 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 126 | 176.8 | -62.8 | 172.5 | 126 | 0 | 0 | 109.8 | I430 | I430-E432 PolarHBondContact O-N 3.2Š|
| 433 | V | 38.3 | Very low | 36.8 | Very low | 135 Ų | 135 | 122.5 Ų | 122.5 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -123.3 | 114.9 | 167 | 179.8 | 0 | 0 | 0 | 0 | 107 | V431 | V431-V433 PolarHBondContact O-N 3.08Š| ||
| 434 | E | 35.1 | Very low | 36.5 | Very low | 187 Ų | 187 | 126.2 Ų | 126.2 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -61.4 | 137.5 | -173.3 | -56.9 | 172.9 | 127.9 | 0 | 0 | 111.3 | ||||
| 435 | K | 32.7 | Very low | 36.4 | Very low | 200 Ų | 200 | 122.6 Ų | 122.6 | 87% | 0.87 | 76% | 0.76 | S | S | * | * | trans | -100 | 111.8 | 170 | -173 | 176.6 | 179.6 | -179.5 | 0 | 109 | ||||
| 436 | P | 38 | Very low | 36 | Very low | 119 Ų | 119 | 127 Ų | 127 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -66.7 | 150.4 | -178.8 | 27.2 | -34.3 | 0 | 0 | 0 | 111.9 | ||||
| 437 | A | 32.1 | Very low | 36.1 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 88% | 0.884 | 80% | 0.801 | S | S | * | * | trans | -87.2 | 159.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 438 | G | 35.4 | Very low | 36 | Very low | 80 Ų | 80 | 130.8 Ų | 130.8 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | 124.8 | 90.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 439 | A | 38.8 | Very low | 35.9 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | trans | -174.9 | 98.2 | 141.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 440 | T | 39.9 | Very low | 35.9 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | 35.9 | 112 | 138.7 | 55.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 441 | S | 38.3 | Very low | 36.1 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | 37.9 | 141.9 | 122.9 | 63.8 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 442 | A | 36.7 | Very low | 36.1 | Very low | 96 Ų | 96 | 124.6 Ų | 124.6 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | cis | -155.1 | 166.8 | 15.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 443 | P | 37.2 | Very low | 36.5 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | -112 | 140.5 | -177 | 38.3 | -29.1 | 0 | 0 | 0 | 116.2 | ||||
| 444 | V | 39.4 | Very low | 36.5 | Very low | 140 Ų | 140 | 122.8 Ų | 122.8 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -148.7 | 102.6 | 162.4 | -176.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 445 | A | 38.2 | Very low | 36.9 | Very low | 84 Ų | 84 | 121.6 Ų | 121.6 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | 72.9 | 100.5 | 77.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 446 | L | 34.7 | Very low | 37.3 | Very low | 172 Ų | 172 | 118.2 Ų | 118.2 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | 40 | 162.2 | 127.2 | -69.9 | 170.7 | 0 | 0 | 0 | 121.7 | |||||
| 447 | P | 38.9 | Very low | 37.4 | Very low | 115 Ų | 115 | 118.9 Ų | 118.9 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | cis | -132.5 | -167 | 1.6 | 36.8 | -15.7 | 0 | 0 | 0 | 114.8 | ||||
| 448 | S | 31.2 | Very low | 37.8 | Very low | 104 Ų | 104 | 117.8 Ų | 117.8 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -75.4 | 154.7 | 170.1 | 77.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 449 | T | 40 | Very low | 38.1 | Very low | 153 Ų | 153 | 123.8 Ų | 123.8 | 94% | 0.939 | 77% | 0.773 | S | S | * | * | trans | -161.2 | 177.1 | 136.9 | 15.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 450 | A | 32.7 | Very low | 38.1 | Very low | 98 Ų | 98 | 123.9 Ų | 123.9 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -127.8 | 177.2 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 451 | A | 33.8 | Very low | 38.2 | Very low | 97 Ų | 97 | 122.5 Ų | 122.5 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | 87.4 | 111.1 | 159.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 452 | A | 36.2 | Very low | 38.2 | Very low | 91 Ų | 91 | 123.8 Ų | 123.8 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | 75.4 | 159.1 | 127.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 453 | E | 38 | Very low | 38.2 | Very low | 165 Ų | 165 | 123.9 Ų | 123.9 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | trans | 71.9 | 145.9 | 166.3 | -48.7 | -143.8 | 115.5 | 0 | 0 | 117.1 | ||||
| 454 | Q | 39 | Very low | 38.3 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 54% | 0.542 | 77% | 0.774 | S | S | . | * | cis | -162.4 | 152.9 | -15.1 | -115 | -174 | 45.4 | 0 | 0 | 108.5 | ||||
| 455 | K | 43.3 | Very low | 38.2 | Very low | 163 Ų | 163 | 130.9 Ų | 130.9 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | trans | 66.4 | 162 | 152.1 | -72.2 | 171.6 | 176.7 | 149.5 | 0 | 118.3 | ||||
| 456 | D | 41.3 | Very low | 38.5 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | cis | -155.8 | 163.7 | -8 | -123.3 | -37.8 | 0 | 0 | 0 | 112.4 | ||||
| 457 | V | 40.9 | Very low | 38.6 | Very low | 134 Ų | 134 | 131 Ų | 131 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | 62.3 | 144.5 | 149.8 | 166.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 458 | A | 39.9 | Very low | 38.4 | Very low | 84 Ų | 84 | 129 Ų | 129 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | cis | -171 | 160 | -33.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 459 | K | 41 | Very low | 38.9 | Very low | 205 Ų | 205 | 128.9 Ų | 128.9 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | trans | 93.5 | 139.5 | 135.5 | -157.2 | 171.6 | -176.9 | 177.2 | 0 | 122.2 | ||||
| 460 | A | 39 | Very low | 38.8 | Very low | 93 Ų | 93 | 131.3 Ų | 131.3 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | 76.8 | 145 | 162.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 461 | A | 41.9 | Very low | 39 | Very low | 97 Ų | 97 | 136 Ų | 136 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | cis | -176.8 | 169.3 | -20.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 462 | D | 38.5 | Very low | 39.2 | Very low | 143 Ų | 143 | 138 Ų | 138 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | cis | -162.7 | 153.9 | -43.8 | -175.1 | 16.1 | 0 | 0 | 0 | 107.8 | ||||
| 463 | S | 36.5 | Very low | 39.3 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | 24.5 | 133.9 | 157.6 | -65.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 464 | L | 40.7 | Very low | 39 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 93% | 0.927 | 78% | 0.78 | S | S | * | * | -164 | 124.5 | 128.3 | -109.2 | 165.8 | 0 | 0 | 0 | 113 | |||||
| 465 | R | 36.2 | Very low | 38.9 | Very low | 232 Ų | 232 | 137.1 Ų | 137.1 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | trans | -165.4 | 139.1 | 173 | -167.7 | -177.3 | -168.8 | -126.1 | 3.7 | 110.4 | ||||
| 466 | P | 45.6 | Very low | 38.9 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | trans | -148.8 | 152.9 | 142 | 34.7 | -17 | 0 | 0 | 0 | 116.9 | ||||
| 467 | N | 36.7 | Very low | 38.6 | Very low | 160 Ų | 160 | 136 Ų | 136 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | 33 | 150.7 | 131.9 | -46.8 | -20 | 0 | 0 | 0 | 121.9 | ||||
| 468 | G | 34.8 | Very low | 38.8 | Very low | 71 Ų | 71 | 135.4 Ų | 135.4 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | cis | 168.8 | -167.7 | 1.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 469 | A | 40.4 | Very low | 38.6 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | 71.3 | 141 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 470 | K | 37.5 | Very low | 38.2 | Very low | 205 Ų | 205 | 133.5 Ų | 133.5 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | cis | 111.9 | 106.2 | 7.6 | -85.6 | -162.1 | 169.8 | -170.4 | 0 | 114.6 | ||||
| 471 | E | 38.4 | Very low | 38 | Very low | 195 Ų | 195 | 134 Ų | 134 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | -167 | -177 | 129.6 | -111.7 | -176 | -175.8 | 0 | 0 | 111.9 | |||||
| 472 | V | 36.5 | Very low | 37.5 | Very low | 139 Ų | 139 | 138 Ų | 138 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | -140 | 161.9 | -116 | 144.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 473 | G | 38.7 | Very low | 37.3 | Very low | 65 Ų | 65 | 139.2 Ų | 139.2 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | trans | 115.1 | 111 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 474 | E | 32.5 | Very low | 37.4 | Very low | 181 Ų | 181 | 138.8 Ų | 138.8 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | cis | 71.2 | 127.9 | 36.2 | -130.6 | -175.2 | 141.8 | 0 | 0 | 111.3 | ||||
| 475 | V | 37.2 | Very low | 37.2 | Very low | 109 Ų | 109 | 136 Ų | 136 | 66% | 0.661 | 81% | 0.806 | S | S | * | * | -164.7 | 139.8 | 62.9 | 161.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 476 | I | 42.1 | Very low | 37.2 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | 62.5 | 134.8 | 157.4 | -70.7 | 163.2 | 0 | 0 | 0 | 122.3 | ||||
| 477 | P | 36.5 | Very low | 36.4 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -113.4 | -148.5 | 168.8 | 47.6 | -36.5 | 0 | 0 | 0 | 112.8 | ||||
| 478 | P | 44.9 | Very low | 36.4 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | -114.6 | 171.4 | -126.9 | 35.9 | -16 | 0 | 0 | 0 | 116.9 | |||||
| 479 | S | 35.7 | Very low | 36.5 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -148.3 | 168.2 | 165.9 | 70.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 480 | S | 31.2 | Very low | 36.4 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -90.4 | 154.5 | -161.6 | -45 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 481 | A | 35.5 | Very low | 36.5 | Very low | 103 Ų | 103 | 142.1 Ų | 142.1 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -148.5 | 135.1 | 150.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 482 | E | 31.6 | Very low | 36.5 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -79.4 | 158.6 | 176.1 | -63.9 | 161 | 90.2 | 0 | 0 | 111.8 | ||||
| 483 | N | 35.3 | Very low | 36.7 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | -161.3 | 162.4 | 126.6 | -111.7 | -75.9 | 0 | 0 | 0 | 112.5 | |||||
| 484 | A | 37.5 | Very low | 36.7 | Very low | 88 Ų | 88 | 145.9 Ų | 145.9 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 158.9 | -157.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 485 | P | 36 | Very low | 37 | Very low | 120 Ų | 120 | 143 Ų | 143 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 135.6 | -176.8 | 33.8 | -34.5 | 0 | 0 | 0 | 113.9 | ||
| 486 | E | 35.8 | Very low | 37.2 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 127.2 | 168.4 | -164 | -171.9 | -105.3 | 0 | 0 | 110.9 | R488 | E486-R488 IonicContact OE2-CZ 2.89Å; E486-R488 IonicContact OE2-NE 3.71Å; E486-R488 PolarHBondContact OE2-NE 3.05Å; E486-R488 IonicContact OE2-NH2 2.68Å; E486-R488 PolarHBondContact OE2-NH2 3.05Å |
| 487 | T | 30 | Very low | 37 | Very low | 129 Ų | 129 | 142 Ų | 142 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 127.8 | -173.7 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 488 | R | 37.4 | Very low | 37.1 | Very low | 209 Ų | 209 | 145.6 Ų | 145.6 | 79% | 0.789 | 81% | 0.807 | S | S | * | * | trans | -129 | 130.1 | 171.2 | -62.2 | -171.7 | -176.9 | -159.6 | 0.3 | 110.2 | E486 | E486-R488 IonicContact OE2-CZ 2.89Å; E486-R488 IonicContact OE2-NE 3.71Å; E486-R488 PolarHBondContact OE2-NE 3.05Å; E486-R488 IonicContact OE2-NH2 2.68Å; E486-R488 PolarHBondContact OE2-NH2 3.05Å | ||
| 489 | K | 36.3 | Very low | 36.9 | Very low | 197 Ų | 197 | 144 Ų | 144 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 140 | -163.5 | -60.6 | 169 | -176.9 | 173.8 | 0 | 111.3 | Q491 | K489-Q491 PolarHBondContact O-N 3.48Š|
| 490 | P | 37.1 | Very low | 37.3 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 125.9 | 172.7 | 27.6 | -33.5 | 0 | 0 | 0 | 110.2 | ||
| 491 | Q | 40 | Very low | 37.9 | Very low | 184 Ų | 184 | 149.3 Ų | 149.3 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 135.2 | 171.6 | -72.2 | -177.2 | -32.6 | 0 | 0 | 109.8 | K489 V493 | K489-Q491 PolarHBondContact O-N 3.48Å; Q491-V493 PolarHBondContact O-N 3.11Å |
| 492 | K | 38.8 | Very low | 38.1 | Very low | 203 Ų | 203 | 150.2 Ų | 150.2 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -71.5 | 108.3 | 178.8 | -66.7 | -178.8 | 177.8 | -176.3 | 0 | 109.9 | L494 | K492-L494 PolarHBondContact O-N 3.18Š| ||
| 493 | V | 40.4 | Very low | 38.6 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 118.9 | 169.2 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | Q491 | Q491-V493 PolarHBondContact O-N 3.11Š|
| 494 | L | 38.8 | Very low | 38.5 | Very low | 138 Ų | 138 | 148.1 Ų | 148.1 | 72% | 0.723 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 148.3 | 174.5 | -67.1 | 172.5 | 0 | 0 | 0 | 110.2 | K492 I496 | K492-L494 PolarHBondContact O-N 3.18Å; L494-I496 PolarHBondContact O-N 3.29Å |
| 495 | P | 39.6 | Very low | 38.7 | Very low | 119 Ų | 119 | 152.1 Ų | 152.1 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 128.2 | 175.1 | 26.9 | -34 | 0 | 0 | 0 | 110.5 | S497 | P495-S497 PolarHBondContact O-N 3.39Š|
| 496 | I | 39.9 | Very low | 38.7 | Very low | 144 Ų | 144 | 153.6 Ų | 153.6 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | -79.8 | 106.8 | -179.3 | -60 | 174 | 0 | 0 | 0 | 108.9 | L494 F498 | L494-I496 PolarHBondContact O-N 3.29Å; I496-F498 HydrophobicContact CG2-CD1 4.18Å; I496-F498 HydrophobicContact CG2-CE1 4.07Å | ||
| 497 | S | 38.1 | Very low | 38.4 | Very low | 98 Ų | 98 | 152.4 Ų | 152.4 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | trans | -103.4 | 127.3 | 171.1 | 53.6 | 0 | 0 | 0 | 0 | 111.3 | P495 S499 | P495-S497 PolarHBondContact O-N 3.39Å; S497-S499 PolarHBondContact O-N 2.9Å; S497-S499 VanDerWaalsContact O-N 3.11Å | ||
| 498 | F | 39.6 | Very low | 38.7 | Very low | 189 Ų | 189 | 158 Ų | 158 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -86 | 78.5 | -177.3 | -17.2 | -81.5 | 0 | 0 | 0 | 110.9 | I496 I500 | I496-F498 HydrophobicContact CG2-CD1 4.18Å; I496-F498 HydrophobicContact CG2-CE1 4.07Å; F498-I500 PolarHBondContact O-N 3.43Å | ||
| 499 | S | 40.8 | Very low | 38.4 | Very low | 89 Ų | 89 | 153.7 Ų | 153.7 | 62% | 0.622 | 80% | 0.796 | S | S | * | * | trans | -73.1 | 113 | 173.6 | -59.7 | 0 | 0 | 0 | 0 | 111 | S497 K501 | S497-S499 PolarHBondContact O-N 2.9Å; S497-S499 VanDerWaalsContact O-N 3.11Å; S499-K501 PolarHBondContact O-N 2.99Å | ||
| 500 | I | 44 | Very low | 38.6 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -66.5 | 103 | 172 | -58.2 | 176.7 | 0 | 0 | 0 | 108.5 | F498 S502 | F498-I500 PolarHBondContact O-N 3.43Å; I500-S502 PolarHBondContact O-N 3.42Å | ||
| 501 | K | 43.9 | Very low | 38.5 | Very low | 189 Ų | 189 | 153.2 Ų | 153.2 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -83.1 | 101.9 | 177.4 | -68.6 | 178.7 | -178.9 | 177.1 | 0 | 109.8 | S499 L503 | S499-K501 PolarHBondContact O-N 2.99Å; K501-L503 PolarHBondContact O-N 3.11Å | ||
| 502 | S | 39.8 | Very low | 38.2 | Very low | 122 Ų | 122 | 151 Ų | 151 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -63.1 | 114.5 | 165.6 | -169.1 | 0 | 0 | 0 | 0 | 108.9 | I500 E504 | I500-S502 PolarHBondContact O-N 3.42Å; S502-E504 PolarHBondContact O-N 2.94Å | ||
| 503 | L | 40.9 | Very low | 38 | Very low | 130 Ų | 130 | 147.3 Ų | 147.3 | 68% | 0.681 | 79% | 0.787 | S | S | * | * | trans | -92.5 | 88.1 | -176.1 | -175.1 | 64.5 | 0 | 0 | 0 | 110.4 | K501 K505 | K501-L503 PolarHBondContact O-N 3.11Å; L503-K505 HydrophobicContact CD2-CD 4.1Å; L503-K505 HydrophobicContact CG-CD 4.34Å; L503-K505 HydrophobicContact CG-CG 4.31Å; L503-K505 PolarHBondContact O-N 3.47Å | ||
| 504 | E | 34.5 | Very low | 37.5 | Very low | 175 Ų | 175 | 147.9 Ų | 147.9 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -56.4 | 117.1 | 171.4 | -172.8 | 179.1 | 174.3 | 0 | 0 | 110.9 | S502 | S502-E504 PolarHBondContact O-N 2.94Š| ||
| 505 | K | 40.6 | Very low | 37.7 | Very low | 171 Ų | 171 | 147 Ų | 147 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -134 | 88.4 | 178.6 | -93.9 | -177.5 | 172.7 | 176.9 | 0 | 112.1 | L503 | L503-K505 HydrophobicContact CD2-CD 4.1Å; L503-K505 HydrophobicContact CG-CD 4.34Å; L503-K505 HydrophobicContact CG-CG 4.31Å; L503-K505 PolarHBondContact O-N 3.47Å | ||
| 506 | Q | 35.5 | Very low | 37.2 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | 35.7 | 112.4 | 138.8 | -68 | -65.1 | -45.3 | 0 | 0 | 117.6 | R508 | Q506-R508 PolarHBondContact O-N 3.36Š| ||
| 507 | P | 31 | Very low | 37 | Very low | 126 Ų | 126 | 150.3 Ų | 150.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -67.2 | 133.7 | 176.9 | 30 | -34.5 | 0 | 0 | 0 | 111.2 | ||||
| 508 | R | 35.4 | Very low | 36.9 | Very low | 245 Ų | 245 | 150.8 Ų | 150.8 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -133.6 | 137.2 | 165.7 | -73.2 | -166.3 | 171.1 | -164.5 | -3.5 | 110.6 | Q506 | Q506-R508 PolarHBondContact O-N 3.36Š| ||
| 509 | S | 31.8 | Very low | 36.7 | Very low | 119 Ų | 119 | 150.1 Ų | 150.1 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -98.4 | 131.8 | -158.6 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 510 | S | 39.2 | Very low | 36.5 | Very low | 109 Ų | 109 | 153 Ų | 153 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -164 | 104.8 | 151.5 | 44.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 511 | K | 35.3 | Very low | 36.1 | Very low | 207 Ų | 207 | 152.8 Ų | 152.8 | 90% | 0.9 | 80% | 0.801 | S | S | * | * | 58.7 | 76.4 | 80.2 | -79 | -164.3 | 169.5 | -172 | 0 | 114.2 | |||||
| 512 | V | 33.6 | Very low | 35.8 | Very low | 137 Ų | 137 | 151.6 Ų | 151.6 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | trans | -135.3 | 116.5 | 137.8 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 513 | V | 34.5 | Very low | 35.7 | Very low | 126 Ų | 126 | 154.2 Ų | 154.2 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -0.5 | 124.7 | 156.6 | -174.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 514 | L | 29.9 | Very low | 35.6 | Very low | 150 Ų | 150 | 157 Ų | 157 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -95.1 | 145.4 | 141 | -96.1 | 89.1 | 0 | 0 | 0 | 109.1 | ||||
| 515 | P | 43.4 | Very low | 35.6 | Very low | 118 Ų | 118 | 157.4 Ų | 157.4 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | -69.7 | 143.8 | 147.1 | -11.7 | 29.1 | 0 | 0 | 0 | 110.3 | ||||
| 516 | Q | 30.5 | Very low | 35.5 | Very low | 166 Ų | 166 | 158.2 Ų | 158.2 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -123 | -177.2 | 166.6 | -66.1 | -165.7 | -84.2 | 0 | 0 | 108.8 | ||||
| 517 | L | 34.2 | Very low | 35.8 | Very low | 168 Ų | 168 | 159.6 Ų | 159.6 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | trans | 83.2 | 139.3 | 170.4 | -45.9 | -179.5 | 0 | 0 | 0 | 113.5 | ||||
| 518 | S | 36.3 | Very low | 36.2 | Very low | 107 Ų | 107 | 162 Ų | 162 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | cis | -147.8 | 165.6 | 0.1 | 43.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 519 | E | 35.4 | Very low | 36.3 | Very low | 176 Ų | 176 | 159.5 Ų | 159.5 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -68.4 | 153.8 | 166.8 | -61.5 | 128.5 | 153.8 | 0 | 0 | 111.8 | ||||
| 520 | N | 37.1 | Very low | 36.6 | Very low | 149 Ų | 149 | 162 Ų | 162 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | 167.9 | 113 | 161.1 | -82 | -13.8 | 0 | 0 | 0 | 103.2 | ||||
| 521 | E | 35 | Very low | 36.7 | Very low | 168 Ų | 168 | 162.4 Ų | 162.4 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | 73.4 | 120.1 | 54.4 | -64 | -169 | 149.6 | 0 | 0 | 114.3 | |||||
| 522 | E | 39.2 | Very low | 36.6 | Very low | 164 Ų | 164 | 163.3 Ų | 163.3 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | trans | 78.5 | 124.7 | 155.4 | -64.6 | 169.3 | 169.8 | 0 | 0 | 121.4 | ||||
| 523 | E | 35.9 | Very low | 36.9 | Very low | 176 Ų | 176 | 164.6 Ų | 164.6 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | 67.4 | 157 | 151.6 | -67.2 | 158.4 | -160.5 | 0 | 0 | 117.5 | ||||
| 524 | E | 39.7 | Very low | 37.3 | Very low | 188 Ų | 188 | 166.7 Ų | 166.7 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | cis | -130.8 | 174 | 21.3 | -65.7 | 166.2 | 137.9 | 0 | 0 | 113.4 | ||||
| 525 | E | 35.4 | Very low | 37.6 | Very low | 184 Ų | 184 | 168.3 Ų | 168.3 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -110.8 | -165.1 | 175.5 | -62.1 | -174.3 | 129.2 | 0 | 0 | 111.4 | ||||
| 526 | E | 38 | Very low | 37.6 | Very low | 188 Ų | 188 | 171.3 Ų | 171.3 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | trans | 86.2 | 122 | 163.2 | -53.4 | -172.2 | 160.9 | 0 | 0 | 120.5 | ||||
| 527 | E | 41.6 | Very low | 38.3 | Very low | 181 Ų | 181 | 171.8 Ų | 171.8 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | 164.7 | 85.8 | 142.5 | -93.1 | -177.7 | -164.5 | 0 | 0 | 107.2 | ||||
| 528 | E | 39.9 | Very low | 38.5 | Very low | 176 Ų | 176 | 172.8 Ų | 172.8 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | 79.4 | 113.1 | 104.1 | -72.2 | 179.6 | -174.3 | 0 | 0 | 113.5 | |||||
| 529 | E | 36.7 | Very low | 38.7 | Very low | 192 Ų | 192 | 170.7 Ų | 170.7 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | 60.8 | 142.5 | 91 | -63.7 | -155.1 | 121.6 | 0 | 0 | 113.9 | |||||
| 530 | E | 38.6 | Very low | 39 | Very low | 171 Ų | 171 | 170.1 Ų | 170.1 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | cis | -163.1 | 138.3 | 47.6 | -165.2 | -173.5 | 177.6 | 0 | 0 | 114 | ||||
| 531 | V | 40.2 | Very low | 39.2 | Very low | 119 Ų | 119 | 169.7 Ų | 169.7 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | trans | 65.2 | 162.3 | 147.6 | 169.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 532 | R | 33.2 | Very low | 39.4 | Very low | 226 Ų | 226 | 169.5 Ų | 169.5 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -133.6 | 170.3 | 179.3 | -50.5 | 167.7 | 173.7 | -175.3 | -4.4 | 109 | ||||
| 533 | E | 41 | Very low | 39.4 | Very low | 164 Ų | 164 | 169.4 Ų | 169.4 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -175.4 | 141.7 | 135.7 | -102.5 | 146.7 | -151.1 | 0 | 0 | 114.1 | ||||
| 534 | E | 42.6 | Very low | 39.6 | Very low | 170 Ų | 170 | 166.2 Ų | 166.2 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 46.5 | 129.3 | 144.9 | -60.7 | 167.3 | -175.7 | 0 | 0 | 120.9 | ||||
| 535 | E | 36.5 | Very low | 39.7 | Very low | 183 Ų | 183 | 163.6 Ų | 163.6 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | cis | 97.6 | 153.2 | 30.4 | -69.1 | -160.9 | -177.1 | 0 | 0 | 116.6 | ||||
| 536 | E | 42.6 | Very low | 40 | Very low | 182 Ų | 182 | 163 Ų | 163 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | 71.5 | 153.2 | 178.9 | -51.4 | -172 | 152.9 | 0 | 0 | 116.5 | ||||
| 537 | E | 45 | Very low | 40 | Very low | 175 Ų | 175 | 157.1 Ų | 157.1 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | cis | -148.1 | -171.8 | 11.5 | -148.1 | -178.3 | -164.9 | 0 | 0 | 112.9 | ||||
| 538 | E | 39.5 | Very low | 39.8 | Very low | 190 Ų | 190 | 154.3 Ų | 154.3 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | -67.6 | 177.5 | -173 | -53 | -176.4 | 151.7 | 0 | 0 | 115.8 | ||||
| 539 | G | 38.7 | Very low | 39.9 | Very low | 63 Ų | 63 | 151 Ų | 151 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | cis | 164.6 | -170.4 | 3.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 540 | E | 43.1 | Very low | 40 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | 68.6 | 156.3 | 171.1 | -49.6 | -156.4 | 159.6 | 0 | 0 | 118.4 | ||||
| 541 | K | 41.6 | Very low | 40 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 60% | 0.604 | 76% | 0.755 | S | S | * | * | cis | -162.2 | 153.6 | -22.4 | -106.2 | 172.6 | -161.4 | 147.8 | 0 | 110.2 | ||||
| 542 | E | 39.3 | Very low | 39.9 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 77% | 0.771 | 76% | 0.762 | S | S | * | * | trans | 26.2 | 156.2 | 133.4 | -52.8 | 177.8 | 126 | 0 | 0 | 121.3 | ||||
| 543 | E | 39 | Very low | 40 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | cis | -167.7 | -163.9 | 18.3 | -146 | -156 | 144.3 | 0 | 0 | 111.7 | ||||
| 544 | V | 40.5 | Very low | 39.8 | Very low | 108 Ų | 108 | 137 Ų | 137 | 66% | 0.655 | 76% | 0.759 | S | S | * | * | trans | 72.6 | 134.4 | 145 | 151 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 545 | I | 41.5 | Very low | 39.8 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | cis | -167.9 | 158.4 | -7.4 | -130.8 | 173.8 | 0 | 0 | 0 | 107.2 | ||||
| 546 | Q | 40.2 | Very low | 39.9 | Very low | 172 Ų | 172 | 130.5 Ų | 130.5 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | cis | -134.8 | -132.9 | 0.8 | -151.1 | 171.9 | 97.9 | 0 | 0 | 108.8 | ||||
| 547 | G | 38.4 | Very low | 39.8 | Very low | 63 Ų | 63 | 127.6 Ų | 127.6 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | cis | 132.2 | 120.7 | 2.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 548 | T | 38.5 | Very low | 39.3 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | cis | -139.2 | 140.3 | 37.1 | 51.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 549 | S | 41.1 | Very low | 39.4 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | 59.6 | 132.9 | 102.8 | -37.3 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 550 | T | 38.8 | Very low | 39.1 | Very low | 122 Ų | 122 | 125.2 Ų | 125.2 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | cis | -150.6 | 134 | 22 | 44.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 551 | S | 38.7 | Very low | 38.8 | Very low | 101 Ų | 101 | 123.2 Ų | 123.2 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | 82.2 | 151.6 | 62.4 | 80.6 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 552 | L | 37.4 | Very low | 38.8 | Very low | 169 Ų | 169 | 120.4 Ų | 120.4 | 89% | 0.885 | 76% | 0.761 | S | S | * | * | trans | 79.2 | 125.8 | -176.3 | -51.8 | 172 | 0 | 0 | 0 | 115.9 | ||||
| 553 | A | 35.3 | Very low | 38.9 | Very low | 94 Ų | 94 | 118.6 Ų | 118.6 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | cis | 129.3 | 129.4 | -21.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 554 | A | 38.3 | Very low | 38.9 | Very low | 92 Ų | 92 | 118.7 Ų | 118.7 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | 75.4 | 130.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 555 | S | 41.3 | Very low | 38.8 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 72.6 | 162.2 | 147.4 | 82.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 556 | S | 38.4 | Very low | 38.8 | Very low | 99 Ų | 99 | 119.3 Ų | 119.3 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | cis | -169.9 | 177.6 | -37.1 | 63.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 557 | S | 41.4 | Very low | 38.8 | Very low | 121 Ų | 121 | 116.1 Ų | 116.1 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | 73.4 | 166.2 | 165.7 | 82.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 558 | A | 35.6 | Very low | 38.7 | Very low | 97 Ų | 97 | 120 Ų | 120 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | -140.7 | 149.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 559 | I | 40.2 | Very low | 38.7 | Very low | 173 Ų | 173 | 118.1 Ų | 118.1 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | -134.7 | 147.6 | 175 | -62.6 | -177.5 | 0 | 0 | 0 | 109.4 | ||||
| 560 | S | 32.2 | Very low | 38.7 | Very low | 108 Ų | 108 | 122.3 Ų | 122.3 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -114.8 | 142.1 | -175.2 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 561 | C | 37 | Very low | 38.7 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -145.9 | 115.8 | 157.8 | -86.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 562 | A | 41.8 | Very low | 38.6 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 66% | 0.661 | 79% | 0.791 | S | S | * | * | 72.5 | 96.3 | 73 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 563 | T | 40.6 | Very low | 38.7 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | 95.9 | 107.5 | 76.9 | -67.5 | 0 | 0 | 0 | 0 | 112.5 | V565 | T563-V565 HydrophobicContact CG2-CG2 4.49Š| |||
| 564 | I | 40.3 | Very low | 38.6 | Very low | 164 Ų | 164 | 127.3 Ų | 127.3 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | trans | -134.8 | 135.9 | 147.7 | -63.6 | -175.6 | 0 | 0 | 0 | 107.2 | ||||
| 565 | V | 37 | Very low | 38.6 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -131.2 | 129.4 | 179.5 | 175.9 | 0 | 0 | 0 | 0 | 109.2 | T563 | T563-V565 HydrophobicContact CG2-CG2 4.49Š| ||
| 566 | T | 43.5 | Very low | 38.3 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | -141.4 | 130.9 | 167 | 50.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 567 | S | 38.7 | Very low | 38.3 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -137 | 116.1 | -168.1 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 568 | V | 36.8 | Very low | 38.2 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 87% | 0.873 | 78% | 0.781 | S | S | * | * | trans | -145.7 | 122 | 163.6 | -176.8 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 569 | A | 38.1 | Very low | 38.2 | Very low | 83 Ų | 83 | 140.3 Ų | 140.3 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | cis | 102.9 | 98.5 | 25.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 570 | K | 40.8 | Very low | 38.2 | Very low | 196 Ų | 196 | 139 Ų | 139 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | 56 | 121.1 | 151.1 | -55 | -180 | -177.3 | 178.5 | 0 | 119.9 | ||||
| 571 | H | 38.5 | Very low | 38.5 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | -162 | 129.2 | 129.9 | -115.6 | -71.8 | 0 | 0 | 0 | 112.9 | |||||
| 572 | P | 37.6 | Very low | 38.5 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | trans | -133.2 | 141.6 | 144.4 | 36.4 | -25.5 | 0 | 0 | 0 | 111.7 | ||||
| 573 | M | 39.7 | Very low | 38.3 | Very low | 158 Ų | 158 | 141 Ų | 141 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | trans | -164.4 | 152 | 163.3 | -85.2 | -48.3 | -71.2 | 0 | 0 | 110.9 | ||||
| 574 | D | 33.3 | Very low | 38.5 | Very low | 137 Ų | 137 | 140 Ų | 140 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -73.3 | 165.8 | 176.6 | -54.1 | -87.7 | 0 | 0 | 0 | 115.5 | ||||
| 575 | R | 37.8 | Very low | 38.1 | Very low | 230 Ų | 230 | 141.7 Ų | 141.7 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | -177 | 108 | 120.9 | -98 | 154.7 | -178.3 | -177.8 | 0.1 | 116.4 | |||||
| 576 | S | 35.6 | Very low | 38 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | 25.5 | 145.6 | 130.2 | 64.6 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 577 | K | 38.5 | Very low | 37.5 | Very low | 192 Ų | 192 | 139.5 Ų | 139.5 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 114 | 139.9 | 160.5 | -68.6 | -169.4 | 175.6 | -171.4 | 0 | 113.8 | ||||
| 578 | T | 37.9 | Very low | 37.3 | Very low | 108 Ų | 108 | 141 Ų | 141 | 66% | 0.663 | 79% | 0.79 | S | S | * | * | cis | -157.4 | 146.8 | 1.5 | 6.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 579 | E | 37.1 | Very low | 37.4 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 35.4 | 142 | 144.9 | -58.7 | 175.8 | 149.1 | 0 | 0 | 121.3 | ||||
| 580 | L | 38.3 | Very low | 37.3 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | -162.4 | 138.6 | 58 | -78 | 162.7 | 0 | 0 | 0 | 115.2 | |||||
| 581 | I | 39.5 | Very low | 37.5 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | 63.6 | 130.4 | 137.9 | -59.2 | 175.4 | 0 | 0 | 0 | 123 | ||||
| 582 | G | 36.4 | Very low | 37.3 | Very low | 63 Ų | 63 | 138.4 Ų | 138.4 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | trans | 108.5 | 100.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 583 | S | 37.3 | Very low | 37.4 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | 63.3 | 127.1 | 50.4 | -47.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 584 | S | 45.2 | Very low | 37.3 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | cis | -150.6 | 134.8 | 6.7 | 52.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 585 | E | 32.4 | Very low | 37.4 | Very low | 199 Ų | 199 | 139.2 Ų | 139.2 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | 70.4 | 126.2 | 85.4 | -157.5 | 169.8 | -131.1 | 0 | 0 | 114.8 | |||||
| 586 | G | 35.1 | Very low | 37.1 | Very low | 79 Ų | 79 | 136.1 Ų | 136.1 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | 162.2 | 88 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 587 | T | 32.5 | Very low | 36.8 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -110.6 | 158 | -178.6 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 588 | V | 34 | Very low | 36.6 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 155.4 | 144.1 | 135.5 | 156.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 589 | A | 39.5 | Very low | 36.3 | Very low | 74 Ų | 74 | 137 Ų | 137 | 61% | 0.612 | 80% | 0.796 | S | S | * | * | trans | 65.4 | 126.5 | 168 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 590 | D | 36.6 | Very low | 35.9 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | cis | 75.4 | 105.9 | 35 | -51.8 | -55.4 | 0 | 0 | 0 | 113.9 | ||||
| 591 | D | 44.2 | Very low | 35.8 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | -175.3 | 140.4 | 128.3 | -96.9 | -25 | 0 | 0 | 0 | 110.2 | |||||
| 592 | D | 35.2 | Very low | 35.8 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -118.8 | 165.9 | -174.4 | -114.7 | -44.1 | 0 | 0 | 0 | 111.3 | ||||
| 593 | E | 38.3 | Very low | 35.7 | Very low | 186 Ų | 186 | 136.7 Ų | 136.7 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | 66.7 | 142.1 | 173.7 | -52.8 | -159 | 127.8 | 0 | 0 | 119.5 | ||||
| 594 | S | 38.9 | Very low | 35.7 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | 156.8 | 151.1 | 116.9 | -160.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 595 | V | 35.1 | Very low | 35.5 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | trans | -33.5 | 139.1 | -176.8 | -74.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 596 | H | 30.5 | Very low | 35.9 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | 69.5 | 137.3 | 61.9 | -174.2 | -73.1 | 0 | 0 | 0 | 114.8 | |||||
| 597 | C | 31.2 | Very low | 35.9 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 70% | 0.703 | 80% | 0.798 | S | S | * | * | trans | 70.7 | 126.5 | -166 | -64.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 598 | L | 34.3 | Very low | 36.3 | Very low | 171 Ų | 171 | 138 Ų | 138 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | -147.1 | 159.4 | 68.5 | -96.1 | 164 | 0 | 0 | 0 | 114.2 | |||||
| 599 | L | 30.2 | Very low | 36.7 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | -109.1 | 173.2 | 175.8 | -134.8 | 73.8 | 0 | 0 | 0 | 110.4 | ||||
| 600 | D | 29.1 | Very low | 36.5 | Very low | 134 Ų | 134 | 147.2 Ų | 147.2 | 72% | 0.717 | 82% | 0.816 | S | S | * | * | trans | 64.9 | 122.1 | 160.8 | -52 | -31.7 | 0 | 0 | 0 | 119.7 | ||||
| 601 | S | 36.3 | Very low | 36.7 | Very low | 115 Ų | 115 | 144.7 Ų | 144.7 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | 152.4 | 73.5 | 121.9 | -66.5 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 602 | I | 38.9 | Very low | 36.6 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -167.8 | 98.7 | 145.4 | 25.7 | 168.5 | 0 | 0 | 0 | 107.6 | ||||
| 603 | S | 35.6 | Very low | 37 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | 83.2 | 110.4 | 64.8 | -167.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 604 | S | 36.6 | Very low | 37.4 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -71.9 | 173.5 | 175.1 | -35.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 605 | P | 40.9 | Very low | 38.1 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | -150.1 | 156.7 | 71.8 | 40.3 | -22 | 0 | 0 | 0 | 117.6 | |||||
| 606 | S | 40.7 | Very low | 39 | Very low | 117 Ų | 117 | 129 Ų | 129 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | 168.9 | 145.3 | 125.7 | 41.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 607 | D | 35.6 | Very low | 40.8 | Very low | 158 Ų | 158 | 127.4 Ų | 127.4 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | trans | -91.9 | 138.9 | -169.6 | -54.5 | -98.3 | 0 | 0 | 0 | 113.3 | ||||
| 608 | D | 40 | Very low | 42.9 | Very low | 159 Ų | 159 | 126 Ų | 126 | 85% | 0.85 | 74% | 0.735 | S | S | * | * | trans | -175.1 | 167.8 | 134.9 | -116.3 | -30.3 | 0 | 0 | 0 | 113.7 | ||||
| 609 | K | 42.8 | Very low | 44.9 | Very low | 180 Ų | 180 | 122.8 Ų | 122.8 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | trans | 72.8 | 53 | 169.6 | -58.8 | 166.9 | -171.4 | 168.2 | 0 | 118.2 | A611 | K609-A611 PolarHBondContact O-N 3Š| ||
| 610 | K | 34.7 | Very low | 47.2 | Very low | 223 Ų | 223 | 122.4 Ų | 122.4 | 97% | 0.97 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 57.8 | 168.4 | -165.3 | -175 | 179.6 | 179.2 | 0 | 113.5 | ||
| 611 | A | 42.4 | Very low | 49.7 | Very low | 95 Ų | 95 | 120.2 Ų | 120.2 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.9 | -3.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | K609 | K609-A611 PolarHBondContact O-N 3Š|
| 612 | S | 41.3 | Very low | 52 | Low | 87 Ų | 87 | 117.5 Ų | 117.5 | 61% | 0.608 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -125.2 | 8.7 | -177.5 | 62.8 | 0 | 0 | 0 | 0 | 115.6 | N616 | S612-N616 PolarHBondContact O-ND2 3.42Š|
| 613 | A | 43.9 | Very low | 54.2 | Low | 66 Ų | 66 | 118.2 Ų | 118.2 | 55% | 0.545 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -76.1 | -51 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G615 N616 E617 | A613-G615 VanDerWaalsContact C-N 3.29Å; A613-G615 PolarHBondContact O-N 2.96Å; A613-N616 WeakPolarHBondContact O-CB 3.34Å; A613-N616 PolarHBondContact O-N 3.24Å; A613-E617 PolarHBondContact O-N 2.95Å |
| 614 | D | 47.1 | Very low | 56.7 | Low | 132 Ų | 132 | 122 Ų | 122 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -58.5 | -36.4 | -168.2 | -52.3 | 11.1 | 0 | 0 | 0 | 113.1 | N616 E617 S618 | D614-N616 VanDerWaalsContact C-N 3.34Å; D614-N616 PolarHBondContact O-N 3.47Å; D614-E617 PolarHBondContact O-N 2.91Å; D614-S618 WeakPolarHBondContact O-CB 3.48Å; D614-S618 PolarHBondContact O-N 2.74Å |
| 615 | G | 52 | Low | 59.4 | Low | 44 Ų | 44 | 123.2 Ų | 123.2 | 45% | 0.454 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -65.1 | -34.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A613 L619 | A613-G615 VanDerWaalsContact C-N 3.29Å; A613-G615 PolarHBondContact O-N 2.96Å; G615-L619 WeakPolarHBondContact O-CB 3.31Å; G615-L619 PolarHBondContact O-N 2.76Å |
| 616 | N | 54 | Low | 61.6 | Low | 98 Ų | 98 | 125.8 Ų | 125.8 | 52% | 0.524 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -75.9 | -33.3 | 179.1 | -67.1 | -30.1 | 0 | 0 | 0 | 112 | S612 A613 D614 Q620 | S612-N616 PolarHBondContact O-ND2 3.42Å; A613-N616 WeakPolarHBondContact O-CB 3.34Å; A613-N616 PolarHBondContact O-N 3.24Å; D614-N616 VanDerWaalsContact C-N 3.34Å; D614-N616 PolarHBondContact O-N 3.47Å; N616-Q620 WeakPolarHBondContact O-CG 3.48Å; N616-Q620 PolarHBondContact O-N 3.32Å; N616-Q620 VanDerWaalsContact O-N 3.15Å; N616-Q620 PolarHBondContact O-NE2 3.32Å |
| 617 | E | 70.1 | Confident | 63.8 | Low | 131 Ų | 131 | 123.1 Ų | 123.1 | 61% | 0.612 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71 | -42.9 | 172.9 | -171.7 | 168 | -165.4 | 0 | 0 | 111 | A613 D614 L619 Q620 L621 | A613-E617 PolarHBondContact O-N 2.95Å; D614-E617 PolarHBondContact O-N 2.91Å; E617-L619 PolarHBondContact O-N 3.2Å; E617-Q620 PolarHBondContact O-N 2.76Å; E617-Q620 VanDerWaalsContact O-N 3.15Å; E617-L621 HydrophobicContact CG-CD1 4.29Å; E617-L621 WeakPolarHBondContact O-CG 3.28Å; E617-L621 PolarHBondContact O-N 3Å |
| 618 | S | 74.4 | Confident | 66.4 | Low | 76 Ų | 76 | 122.5 Ų | 122.5 | 53% | 0.531 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -57.3 | -46 | 174 | -171.9 | 0 | 0 | 0 | 0 | 112.5 | D614 Q620 L621 D622 | D614-S618 WeakPolarHBondContact O-CB 3.48Å; D614-S618 PolarHBondContact O-N 2.74Å; S618-Q620 PolarHBondContact O-N 3.36Å; S618-L621 PolarHBondContact O-N 3.48Å; S618-D622 PolarHBondContact O-N 3.05Å |
| 619 | L | 75.9 | Confident | 68.7 | Low | 102 Ų | 102 | 121.1 Ų | 121.1 | 53% | 0.534 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.7 | -37.2 | 175.1 | -84.4 | 166.2 | 0 | 0 | 0 | 113.2 | G615 E617 R623 | G615-L619 WeakPolarHBondContact O-CB 3.31Å; G615-L619 PolarHBondContact O-N 2.76Å; E617-L619 PolarHBondContact O-N 3.2Å; L619-R623 WeakPolarHBondContact O-CB 3.27Å; L619-R623 VanDerWaalsContact O-CG 3.27Å; L619-R623 WeakPolarHBondContact O-CG 3.43Å; L619-R623 PolarHBondContact O-N 3.31Å |
| 620 | Q | 78.3 | Confident | 70.8 | Confident | 135 Ų | 135 | 119.2 Ų | 119.2 | 63% | 0.631 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.6 | -38.8 | 174.7 | -77.3 | -178.5 | 79.4 | 0 | 0 | 112.2 | N616 E617 S618 R624 | N616-Q620 WeakPolarHBondContact O-CG 3.48Å; N616-Q620 PolarHBondContact O-N 3.32Å; N616-Q620 VanDerWaalsContact O-N 3.15Å; N616-Q620 PolarHBondContact O-NE2 3.32Å; E617-Q620 PolarHBondContact O-N 2.76Å; E617-Q620 VanDerWaalsContact O-N 3.15Å; S618-Q620 PolarHBondContact O-N 3.36Å; Q620-R624 VanDerWaalsContact O-CB 3.28Å; Q620-R624 WeakPolarHBondContact O-CB 3.47Å; Q620-R624 PolarHBondContact O-N 3.31Å |
| 621 | L | 82.3 | Confident | 73.2 | Confident | 88 Ų | 88 | 113.8 Ų | 113.8 | 46% | 0.461 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.9 | -41.3 | 174.8 | -72.1 | 171.9 | 0 | 0 | 0 | 111.8 | E617 S618 R624 K625 | E617-L621 HydrophobicContact CG-CD1 4.29Å; E617-L621 WeakPolarHBondContact O-CG 3.28Å; E617-L621 PolarHBondContact O-N 3Å; S618-L621 PolarHBondContact O-N 3.48Å; L621-R624 PolarHBondContact O-N 3.3Å; L621-K625 VanDerWaalsContact O-CG 3.31Å; L621-K625 WeakPolarHBondContact O-CG 3.26Å; L621-K625 PolarHBondContact O-N 3.25Å |
| 622 | D | 85.4 | Confident | 75.1 | Confident | 58 Ų | 58 | 113.8 Ų | 113.8 | 31% | 0.31 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.2 | -43.4 | 176.7 | -164.9 | 57.1 | 0 | 0 | 0 | 112.4 | S618 R624 K625 R626 | S618-D622 PolarHBondContact O-N 3.05Å; D622-R624 VanDerWaalsContact C-N 3.27Å; D622-R624 PolarHBondContact O-N 3.02Å; D622-K625 WeakPolarHBondContact O-CB 3.49Å; D622-K625 PolarHBondContact O-N 3.29Å; D622-K625 VanDerWaalsContact O-N 3.15Å; D622-R626 WeakPolarHBondContact O-CG 3.45Å; D622-R626 PolarHBondContact O-N 3.33Å; D622-R626 IonicContact OD2-CZ 2.7Å; D622-R626 IonicContact OD2-NE 3.11Å; D622-R626 PolarHBondContact OD2-NE 2.86Å; D622-R626 IonicContact OD2-NH2 2.6Å; D622-R626 PolarHBondContact OD2-NH2 3.41Å |
| 623 | R | 85.1 | Confident | 77.1 | Confident | 184 Ų | 184 | 116.9 Ų | 116.9 | 69% | 0.694 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -55.5 | -42.8 | 171.3 | -74.8 | 174.9 | 179 | -160.8 | -0.6 | 111.6 | L619 R626 A627 | L619-R623 WeakPolarHBondContact O-CB 3.27Å; L619-R623 VanDerWaalsContact O-CG 3.27Å; L619-R623 WeakPolarHBondContact O-CG 3.43Å; L619-R623 PolarHBondContact O-N 3.31Å; R623-R626 PolarHBondContact O-N 2.91Å; R623-A627 WeakPolarHBondContact O-CB 3.31Å; R623-A627 PolarHBondContact O-N 2.96Å |
| 624 | R | 87.9 | Confident | 78.7 | Confident | 197 Ų | 197 | 118 Ų | 118 | 74% | 0.743 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.2 | -35.8 | 177.6 | -167.2 | 175.8 | -174.8 | -177.1 | 2.4 | 112.8 | Q620 L621 D622 K628 | Q620-R624 VanDerWaalsContact O-CB 3.28Å; Q620-R624 WeakPolarHBondContact O-CB 3.47Å; Q620-R624 PolarHBondContact O-N 3.31Å; L621-R624 PolarHBondContact O-N 3.3Å; D622-R624 VanDerWaalsContact C-N 3.27Å; D622-R624 PolarHBondContact O-N 3.02Å; R624-K628 PolarHBondContact O-N 3.5Å; R624-K628 VanDerWaalsContact O-N 3.1Å |
| 625 | K | 91.8 | Very high | 80 | Confident | 138 Ų | 138 | 115.7 Ų | 115.7 | 60% | 0.6 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.6 | -50.4 | 172.1 | -74.9 | 169.7 | -178.4 | 176.9 | 0 | 111.2 | L621 D622 A627 K628 L629 | L621-K625 VanDerWaalsContact O-CG 3.31Å; L621-K625 WeakPolarHBondContact O-CG 3.26Å; L621-K625 PolarHBondContact O-N 3.25Å; D622-K625 WeakPolarHBondContact O-CB 3.49Å; D622-K625 PolarHBondContact O-N 3.29Å; D622-K625 VanDerWaalsContact O-N 3.15Å; K625-A627 PolarHBondContact O-N 3.44Å; K625-K628 PolarHBondContact O-N 3.33Å; K625-L629 PolarHBondContact O-N 3.33Å |
| 626 | R | 88.9 | Confident | 80.9 | Confident | 173 Ų | 173 | 116.9 Ų | 116.9 | 65% | 0.653 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.8 | -44.6 | 177.9 | -66 | -176.6 | -160.1 | -141.6 | 3 | 112 | D622 R623 K628 L629 F630 | D622-R626 WeakPolarHBondContact O-CG 3.45Å; D622-R626 PolarHBondContact O-N 3.33Å; D622-R626 IonicContact OD2-CZ 2.7Å; D622-R626 IonicContact OD2-NE 3.11Å; D622-R626 PolarHBondContact OD2-NE 2.86Å; D622-R626 IonicContact OD2-NH2 2.6Å; D622-R626 PolarHBondContact OD2-NH2 3.41Å; R623-R626 PolarHBondContact O-N 2.91Å; R626-K628 VanDerWaalsContact C-N 3.34Å; R626-K628 PolarHBondContact O-N 3.3Å; R626-L629 PolarHBondContact O-N 2.9Å; R626-F630 PolarHBondContact O-N 2.68Å |
| 627 | A | 86.3 | Confident | 81.3 | Confident | 61 Ų | 61 | 120.3 Ų | 120.3 | 50% | 0.504 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.5 | -40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R623 K625 F630 L631 | R623-A627 WeakPolarHBondContact O-CB 3.31Å; R623-A627 PolarHBondContact O-N 2.96Å; K625-A627 PolarHBondContact O-N 3.44Å; A627-F630 PolarHBondContact O-N 3.33Å; A627-L631 WeakPolarHBondContact O-CB 3.39Å; A627-L631 PolarHBondContact O-N 3.39Å |
| 628 | K | 90.4 | Very high | 80.8 | Confident | 146 Ų | 146 | 119.4 Ų | 119.4 | 64% | 0.635 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.7 | -40.3 | 175.4 | -167.8 | -178.6 | 179.6 | -171.4 | 0 | 112.2 | R624 K625 R626 L631 N632 | R624-K628 PolarHBondContact O-N 3.5Å; R624-K628 VanDerWaalsContact O-N 3.1Å; K625-K628 PolarHBondContact O-N 3.33Å; R626-K628 VanDerWaalsContact C-N 3.34Å; R626-K628 PolarHBondContact O-N 3.3Å; K628-L631 PolarHBondContact O-N 3.1Å; K628-N632 PolarHBondContact O-N 3.46Å; K628-N632 PolarHBondContact O-OD1 3.15Å |
| 629 | L | 88.4 | Confident | 79.7 | Confident | 129 Ų | 129 | 118.8 Ų | 118.8 | 68% | 0.675 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.6 | -42.6 | 174.6 | -105.2 | 159.9 | 0 | 0 | 0 | 112.1 | K625 R626 N632 K633 | K625-L629 PolarHBondContact O-N 3.33Å; R626-L629 PolarHBondContact O-N 2.9Å; L629-N632 PolarHBondContact O-N 3.46Å; L629-K633 PolarHBondContact O-N 2.92Å |
| 630 | F | 87 | Confident | 78.2 | Confident | 140 Ų | 140 | 122 Ų | 122 | 61% | 0.614 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.6 | -44.1 | 175 | -174.6 | -104.4 | 0 | 0 | 0 | 112 | R626 A627 N632 K633 L634 | R626-F630 PolarHBondContact O-N 2.68Å; A627-F630 PolarHBondContact O-N 3.33Å; F630-N632 PolarHBondContact O-N 2.92Å; F630-K633 PolarHBondContact O-N 3.32Å; F630-K633 VanDerWaalsContact O-N 3.11Å; F630-L634 HydrophobicContact CD1-CD1 4.07Å; F630-L634 HydrophobicContact CE1-CD1 3.7Å; F630-L634 HydrophobicContact CE1-CG 4.25Å; F630-L634 HydrophobicContact CZ-CD1 4.33Å; F630-L634 HydrophobicContact CZ-CG 4.5Å; F630-L634 PolarHBondContact O-N 3.38Å |
| 631 | L | 83.8 | Confident | 76.6 | Confident | 110 Ų | 110 | 122.5 Ų | 122.5 | 58% | 0.576 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.2 | -42.2 | 176.5 | -161.8 | 73 | 0 | 0 | 0 | 111.9 | A627 K628 K633 L634 T635 | A627-L631 WeakPolarHBondContact O-CB 3.39Å; A627-L631 PolarHBondContact O-N 3.39Å; K628-L631 PolarHBondContact O-N 3.1Å; L631-K633 VanDerWaalsContact C-N 3.31Å; L631-K633 PolarHBondContact O-N 3.2Å; L631-L634 PolarHBondContact O-N 2.91Å; L631-T635 PolarHBondContact O-N 3.03Å; L631-T635 PolarHBondContact O-OG1 2.93Å |
| 632 | N | 82.6 | Confident | 74.6 | Confident | 94 Ų | 94 | 127.7 Ų | 127.7 | 50% | 0.503 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -60.3 | -38.5 | 172.5 | -89.9 | 48.2 | 0 | 0 | 0 | 112.4 | K628 L629 F630 L634 T635 A636 | K628-N632 PolarHBondContact O-N 3.46Å; K628-N632 PolarHBondContact O-OD1 3.15Å; L629-N632 PolarHBondContact O-N 3.46Å; F630-N632 PolarHBondContact O-N 2.92Å; N632-L634 VanDerWaalsContact C-N 3.34Å; N632-T635 WeakPolarHBondContact CA-OG1 3.39Å; N632-T635 PolarHBondContact O-N 2.95Å; N632-T635 PolarHBondContact O-OG1 3.3Å; N632-A636 WeakPolarHBondContact O-CB 3.41Å; N632-A636 PolarHBondContact O-N 3.14Å |
| 633 | K | 84.5 | Confident | 72.6 | Confident | 152 Ų | 152 | 133.6 Ų | 133.6 | 66% | 0.661 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -69.3 | -31.2 | 178.3 | -164.7 | 166.3 | -176 | 173.2 | 0 | 112.2 | L629 F630 L631 K637 | L629-K633 PolarHBondContact O-N 2.92Å; F630-K633 PolarHBondContact O-N 3.32Å; F630-K633 VanDerWaalsContact O-N 3.11Å; L631-K633 VanDerWaalsContact C-N 3.31Å; L631-K633 PolarHBondContact O-N 3.2Å; K633-K637 PolarHBondContact O-N 3.05Å; K633-K637 VanDerWaalsContact O-N 3.15Å |
| 634 | L | 76.8 | Confident | 70.3 | Confident | 89 Ų | 89 | 133.4 Ų | 133.4 | 47% | 0.466 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -69.4 | -42.4 | 170.2 | -68.4 | 173.9 | 0 | 0 | 0 | 112.3 | F630 L631 N632 A636 K637 T638 | F630-L634 HydrophobicContact CD1-CD1 4.07Å; F630-L634 HydrophobicContact CE1-CD1 3.7Å; F630-L634 HydrophobicContact CE1-CG 4.25Å; F630-L634 HydrophobicContact CZ-CD1 4.33Å; F630-L634 HydrophobicContact CZ-CG 4.5Å; F630-L634 PolarHBondContact O-N 3.38Å; L631-L634 PolarHBondContact O-N 2.91Å; N632-L634 VanDerWaalsContact C-N 3.34Å; L634-A636 VanDerWaalsContact C-N 3.33Å; L634-A636 PolarHBondContact O-N 2.7Å; L634-K637 PolarHBondContact O-N 3.26Å; L634-T638 PolarHBondContact O-N 2.87Å; L634-T638 PolarHBondContact O-OG1 3.15Å |
| 635 | T | 74.7 | Confident | 67.9 | Low | 85 Ų | 85 | 128.8 Ų | 128.8 | 52% | 0.521 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -69.1 | -31.2 | 176.9 | 52.5 | 0 | 0 | 0 | 0 | 112.6 | L631 N632 T638 G639 | L631-T635 PolarHBondContact O-N 3.03Å; L631-T635 PolarHBondContact O-OG1 2.93Å; N632-T635 WeakPolarHBondContact CA-OG1 3.39Å; N632-T635 PolarHBondContact O-N 2.95Å; N632-T635 PolarHBondContact O-OG1 3.3Å; T635-T638 WeakPolarHBondContact CA-OG1 3.43Å; T635-T638 PolarHBondContact O-N 3.15Å; T635-T638 PolarHBondContact O-OG1 3.46Å; T635-G639 PolarHBondContact O-N 3.42Å |
| 636 | A | 70.2 | Confident | 65.4 | Low | 68 Ų | 68 | 132.3 Ų | 132.3 | 56% | 0.562 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -67.1 | -45.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N632 L634 T638 G639 | N632-A636 WeakPolarHBondContact O-CB 3.41Å; N632-A636 PolarHBondContact O-N 3.14Å; L634-A636 VanDerWaalsContact C-N 3.33Å; L634-A636 PolarHBondContact O-N 2.7Å; A636-T638 PolarHBondContact O-N 3.44Å; A636-T638 VanDerWaalsContact O-N 3.07Å; A636-G639 PolarHBondContact O-N 3.04Å |
| 637 | K | 62.9 | Low | 63 | Low | 170 Ų | 170 | 127.5 Ų | 127.5 | 74% | 0.739 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 8.7 | 174.1 | -85.7 | -151.2 | 168.8 | -157.3 | 0 | 115 | K633 L634 | K633-K637 PolarHBondContact O-N 3.05Å; K633-K637 VanDerWaalsContact O-N 3.15Å; L634-K637 PolarHBondContact O-N 3.26Å |
| 638 | T | 58.6 | Low | 60.8 | Low | 113 Ų | 113 | 133.6 Ų | 133.6 | 69% | 0.693 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.6 | 19.7 | 178.3 | 47.9 | 0 | 0 | 0 | 0 | 113.2 | L634 T635 A636 | L634-T638 PolarHBondContact O-N 2.87Å; L634-T638 PolarHBondContact O-OG1 3.15Å; T635-T638 WeakPolarHBondContact CA-OG1 3.43Å; T635-T638 PolarHBondContact O-N 3.15Å; T635-T638 PolarHBondContact O-OG1 3.46Å; A636-T638 PolarHBondContact O-N 3.44Å; A636-T638 VanDerWaalsContact O-N 3.07Å |
| 639 | G | 51.3 | Low | 58.3 | Low | 62 Ų | 62 | 131.6 Ų | 131.6 | 64% | 0.639 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -125.3 | 16.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | T635 A636 | T635-G639 PolarHBondContact O-N 3.42Å; A636-G639 PolarHBondContact O-N 3.04Å |
| 640 | M | 46 | Very low | 56.1 | Low | 169 Ų | 169 | 133.7 Ų | 133.7 | 83% | 0.833 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -118.5 | -11.6 | -176.4 | -68.5 | -166.7 | 66 | 0 | 0 | 115.8 | ||
| 641 | D | 44.6 | Very low | 53.9 | Low | 147 Ų | 147 | 132.8 Ų | 132.8 | 79% | 0.786 | 71% | 0.712 | S | S | * | * | trans | -112.7 | 45.1 | -166.8 | -48.9 | -67.9 | 0 | 0 | 0 | 114.9 | ||||
| 642 | E | 38.9 | Very low | 51.9 | Low | 196 Ų | 196 | 135.5 Ų | 135.5 | 92% | 0.916 | 73% | 0.727 | S | S | * | * | trans | -137.1 | 58.7 | 170.3 | -81.1 | -151.5 | 142.4 | 0 | 0 | 113.9 | ||||
| 643 | E | 43.1 | Very low | 50.2 | Low | 182 Ų | 182 | 134.3 Ų | 134.3 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | trans | -148.2 | 145 | 159.4 | -126.1 | 169.2 | -140.2 | 0 | 0 | 112.8 | ||||
| 644 | Q | 37.8 | Very low | 48.3 | Very low | 181 Ų | 181 | 134.7 Ų | 134.7 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | trans | 60.1 | 120.2 | -176 | -47.1 | -170.3 | 38.8 | 0 | 0 | 115.7 | ||||
| 645 | S | 37.3 | Very low | 46.4 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | cis | 109.4 | 98.8 | 4.8 | 101.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 646 | K | 38.8 | Very low | 44.9 | Very low | 212 Ų | 212 | 137.4 Ų | 137.4 | 92% | 0.922 | 77% | 0.768 | S | S | * | * | trans | 79.4 | 116.5 | 153 | -52.7 | 166.2 | -175.9 | 163 | 0 | 119.8 | ||||
| 647 | G | 39.6 | Very low | 43.5 | Very low | 72 Ų | 72 | 138.7 Ų | 138.7 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | 163.1 | 80.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 648 | H | 40.3 | Very low | 42.3 | Very low | 190 Ų | 190 | 137.7 Ų | 137.7 | 88% | 0.88 | 78% | 0.776 | S | S | * | * | 46.3 | 110.7 | 101 | -150.9 | 60.3 | 0 | 0 | 0 | 114.6 | |||||
| 649 | S | 37.1 | Very low | 41.6 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | -114 | 146 | 179.4 | 61.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 650 | K | 41.5 | Very low | 41.6 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | -156.4 | 114.6 | 156.1 | -92.8 | -164.1 | 165.5 | -170.4 | 0 | 111.5 | ||||
| 651 | D | 41.4 | Very low | 41.4 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 65% | 0.652 | 77% | 0.774 | S | S | * | * | 61.5 | 130.7 | 127.6 | -40.1 | -24.4 | 0 | 0 | 0 | 122.2 | |||||
| 652 | D | 42.7 | Very low | 41.1 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | 91.2 | 139.3 | 149.2 | -54.5 | -31.6 | 0 | 0 | 0 | 124.3 | ||||
| 653 | G | 45.9 | Very low | 41.3 | Very low | 69 Ų | 69 | 130.4 Ų | 130.4 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | 87 | 122.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 654 | I | 44.7 | Very low | 41.2 | Very low | 161 Ų | 161 | 127 Ų | 127 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | cis | 78.2 | 100.7 | 31.4 | -52.2 | 178.5 | 0 | 0 | 0 | 112.5 | ||||
| 655 | C | 37.9 | Very low | 41.6 | Very low | 112 Ų | 112 | 123.8 Ų | 123.8 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | 71 | 140.6 | 75.9 | -140.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 656 | V | 41.7 | Very low | 41.8 | Very low | 118 Ų | 118 | 129 Ų | 129 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | cis | -158.9 | 156.8 | 36.8 | -147.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 657 | S | 42.3 | Very low | 41.7 | Very low | 95 Ų | 95 | 124 Ų | 124 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | trans | 19.5 | 148.1 | 146.8 | 65.8 | 0 | 0 | 0 | 0 | 126 | ||||
| 658 | D | 37.9 | Very low | 41.6 | Very low | 150 Ų | 150 | 125.7 Ų | 125.7 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | -140.7 | 148 | 129.2 | -102.1 | -33.5 | 0 | 0 | 0 | 109.1 | |||||
| 659 | S | 42.2 | Very low | 41.6 | Very low | 94 Ų | 94 | 121.1 Ų | 121.1 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | cis | 87.6 | 162.6 | 46.8 | -51.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 660 | P | 52 | Low | 41.9 | Very low | 110 Ų | 110 | 124.3 Ų | 124.3 | 71% | 0.714 | 74% | 0.74 | S | S | * | * | cis | -142.8 | 162.8 | 4 | 41.5 | -22.9 | 0 | 0 | 0 | 119.1 | ||||
| 661 | S | 42 | Very low | 41.9 | Very low | 108 Ų | 108 | 121.7 Ų | 121.7 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | trans | 62.8 | 159.9 | 141.3 | 73.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 662 | T | 38.1 | Very low | 42 | Very low | 126 Ų | 126 | 119.4 Ų | 119.4 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | cis | -155 | 171 | 18.4 | 44.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 663 | S | 43.3 | Very low | 41.8 | Very low | 95 Ų | 95 | 118.2 Ų | 118.2 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | cis | 177.8 | 148.9 | -34.3 | 62.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 664 | S | 40.7 | Very low | 41.6 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | 70.7 | 151.7 | 160.8 | 77.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 665 | D | 46.6 | Very low | 41.5 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 62% | 0.615 | 73% | 0.733 | S | S | * | * | cis | -160.3 | 154.4 | -0.7 | -135 | -12.1 | 0 | 0 | 0 | 113.6 | ||||
| 666 | R | 40.3 | Very low | 41.6 | Very low | 209 Ų | 209 | 127.9 Ų | 127.9 | 79% | 0.789 | 74% | 0.737 | S | S | * | * | trans | 38.5 | 153.1 | 146.3 | -71.1 | 162.6 | -142.2 | -124.1 | 0.6 | 122.9 | ||||
| 667 | C | 37.3 | Very low | 41.8 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 72% | 0.716 | 75% | 0.745 | S | S | * | * | cis | -166.2 | 151 | 10.7 | -131.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 668 | S | 38 | Very low | 41.7 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | 67.4 | 136.5 | 141.1 | -61.2 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 669 | A | 40.9 | Very low | 41.7 | Very low | 94 Ų | 94 | 134 Ų | 134 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | trans | 84 | 151.4 | 148.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 670 | E | 42.3 | Very low | 41.6 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | cis | -156.8 | -158.4 | -2.7 | -123.7 | -64 | 96.6 | 0 | 0 | 113.8 | ||||
| 671 | V | 42.1 | Very low | 40.8 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 71% | 0.709 | 77% | 0.77 | S | S | * | * | trans | -72.9 | 151.8 | -170.4 | 160.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 672 | G | 42.4 | Very low | 40.5 | Very low | 75 Ų | 75 | 146.3 Ų | 146.3 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -155.5 | -28.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 673 | N | 38.8 | Very low | 40.5 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | 42.1 | 108.5 | 163.8 | -173.6 | 22.3 | 0 | 0 | 0 | 121.6 | ||||
| 674 | K | 42.2 | Very low | 40.5 | Very low | 175 Ų | 175 | 150.3 Ų | 150.3 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | -171.2 | 136.5 | 122.9 | -106.5 | 165 | -176.5 | 175.3 | 0 | 117.1 | |||||
| 675 | E | 42.2 | Very low | 40.6 | Very low | 146 Ų | 146 | 149.3 Ų | 149.3 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | trans | 44.1 | 108.4 | 148.2 | -65.9 | 177.9 | 110.1 | 0 | 0 | 120.3 | ||||
| 676 | R | 40.8 | Very low | 40.3 | Very low | 225 Ų | 225 | 151.8 Ų | 151.8 | 85% | 0.849 | 80% | 0.8 | S | S | * | * | 60.3 | 118.8 | 92.3 | -73.9 | 177.6 | 162.2 | -168.1 | -4.6 | 113 | |||||
| 677 | T | 45.6 | Very low | 40.3 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | -134.4 | 166.3 | 59.9 | 48.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 678 | K | 39.5 | Very low | 40.2 | Very low | 192 Ų | 192 | 148.3 Ų | 148.3 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -102.5 | 142.7 | -179.2 | -60.3 | 178.7 | 178.6 | -176.4 | 0 | 111 | ||||
| 679 | N | 38.5 | Very low | 40.4 | Very low | 157 Ų | 157 | 148.9 Ų | 148.9 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | -154.8 | 97.6 | 151.7 | -97.3 | -34.9 | 0 | 0 | 0 | 109.3 | ||||
| 680 | A | 39.6 | Very low | 40.2 | Very low | 95 Ų | 95 | 154.7 Ų | 154.7 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -119.2 | 113.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 681 | W | 34.8 | Very low | 40.1 | Very low | 241 Ų | 241 | 155 Ų | 155 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | trans | -103.7 | 81.3 | 172.3 | -78.8 | 93.9 | 0 | 0 | 0 | 109.9 | ||||
| 682 | R | 37 | Very low | 40.1 | Very low | 233 Ų | 233 | 158.1 Ų | 158.1 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | trans | -67.3 | 139.8 | 165.9 | -168.9 | -178.9 | -170.5 | -155 | 3.7 | 108.6 | ||||
| 683 | A | 38.2 | Very low | 39.9 | Very low | 97 Ų | 97 | 162.1 Ų | 162.1 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | trans | -54.4 | 140.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 684 | K | 43.2 | Very low | 40.1 | Very low | 209 Ų | 209 | 167.4 Ų | 167.4 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | trans | -121.7 | 134.6 | 159.2 | -76.4 | -167.4 | 173.4 | -172 | 0 | 108.1 | ||||
| 685 | A | 43.1 | Very low | 40.2 | Very low | 88 Ų | 88 | 166.3 Ų | 166.3 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -92.6 | -179.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 686 | L | 40.6 | Very low | 40 | Very low | 168 Ų | 168 | 163.8 Ų | 163.8 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | trans | 79.2 | 153.2 | 171.5 | -47.7 | 177.9 | 0 | 0 | 0 | 116.2 | ||||
| 687 | P | 38.5 | Very low | 40.3 | Very low | 120 Ų | 120 | 159 Ų | 159 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | cis | -115.8 | 160.3 | -4.2 | 37.5 | -25.1 | 0 | 0 | 0 | 114.5 | ||||
| 688 | S | 36.2 | Very low | 40.3 | Very low | 122 Ų | 122 | 160.6 Ų | 160.6 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | -78.8 | 129.3 | 168 | 175 | 0 | 0 | 0 | 0 | 111 | ||||
| 689 | S | 41.1 | Very low | 40.5 | Very low | 118 Ų | 118 | 163.5 Ų | 163.5 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -171.5 | 68.2 | 160.4 | -179.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 690 | Y | 37 | Very low | 41 | Very low | 217 Ų | 217 | 164.8 Ų | 164.8 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | trans | -153 | 84.8 | 150.7 | 179.5 | -109.2 | 0 | 0 | 0 | 111.3 | ||||
| 691 | E | 40.2 | Very low | 41 | Very low | 178 Ų | 178 | 172.4 Ų | 172.4 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | trans | -149.4 | 107.5 | 167 | -175.1 | 163.1 | -149.6 | 0 | 0 | 111.7 | ||||
| 692 | K | 42.8 | Very low | 41.5 | Very low | 182 Ų | 182 | 165.8 Ų | 165.8 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | trans | 174.1 | 111.5 | 150.9 | -94.8 | 143.1 | -163.9 | 165.3 | 0 | 109.4 | ||||
| 693 | H | 37.6 | Very low | 42 | Very low | 159 Ų | 159 | 165.2 Ų | 165.2 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | trans | -178.9 | 45.4 | 134.4 | -101.8 | -73.3 | 0 | 0 | 0 | 113 | H695 | H693-H695 AromaticContact CE1-CE1 3.95Å; H693-H695 AromaticContact CE1-NE2 3.52Å; H693-H695 AromaticContact ND1-CD2 3.76Å; H693-H695 AromaticContact ND1-CE1 3.72Å; H693-H695 AromaticContact ND1-NE2 2.94Å; H693-H695 PolarHBondContact ND1-NE2 2.99Å | ||
| 694 | R | 44.3 | Very low | 42 | Very low | 250 Ų | 250 | 166.6 Ų | 166.6 | 94% | 0.943 | 82% | 0.822 | S | S | * | * | trans | -90.7 | 103.2 | 159.3 | -107.2 | -176.4 | 173.4 | -178.8 | -1.1 | 109.1 | ||||
| 695 | H | 42.6 | Very low | 42.1 | Very low | 153 Ų | 153 | 166.9 Ų | 166.9 | 71% | 0.708 | 82% | 0.818 | S | S | * | * | trans | -68.9 | 133.8 | 177 | -74.4 | -90.9 | 0 | 0 | 0 | 111.1 | H693 S697 | H693-H695 AromaticContact CE1-CE1 3.95Å; H693-H695 AromaticContact CE1-NE2 3.52Å; H693-H695 AromaticContact ND1-CD2 3.76Å; H693-H695 AromaticContact ND1-CE1 3.72Å; H693-H695 AromaticContact ND1-NE2 2.94Å; H693-H695 PolarHBondContact ND1-NE2 2.99Å; H695-S697 PolarHBondContact O-N 3.46Å | ||
| 696 | S | 39.3 | Very low | 42.1 | Very low | 93 Ų | 93 | 169.9 Ų | 169.9 | 65% | 0.65 | 83% | 0.827 | S | S | * | * | trans | -76.9 | 108 | -173.7 | 66.2 | 0 | 0 | 0 | 0 | 112.7 | K698 | S696-K698 PolarHBondContact O-N 3.43Å; S696-K698 VanDerWaalsContact O-N 3.08Å | ||
| 697 | S | 46.1 | Very low | 42.3 | Very low | 124 Ų | 124 | 172.6 Ų | 172.6 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | trans | -73.1 | 95.8 | 162.4 | -74.7 | 0 | 0 | 0 | 0 | 109.9 | H695 R699 | H695-S697 PolarHBondContact O-N 3.46Å; S697-R699 PolarHBondContact O-N 3.29Å | ||
| 698 | K | 46.8 | Very low | 42.4 | Very low | 176 Ų | 176 | 172.2 Ų | 172.2 | 77% | 0.765 | 83% | 0.826 | S | S | * | * | trans | -64 | 111.8 | -173.1 | -65.9 | 174.6 | 179.1 | 176.1 | 0 | 111.7 | S696 K700 | S696-K698 PolarHBondContact O-N 3.43Å; S696-K698 VanDerWaalsContact O-N 3.08Å; K698-K700 VanDerWaalsContact C-N 3.32Å; K698-K700 PolarHBondContact O-N 3.41Å | ||
| 699 | R | 43 | Very low | 43 | Very low | 253 Ų | 253 | 177.8 Ų | 177.8 | 96% | 0.955 | 83% | 0.828 | S | S | * | * | trans | -63 | 88.6 | 164.7 | -74.1 | 178.7 | 80.1 | 178.8 | 5 | 109.7 | S697 R701 | S697-R699 PolarHBondContact O-N 3.29Å; R699-R701 PolarHBondContact O-N 2.94Å; R699-R701 VanDerWaalsContact O-N 3.16Å | ||
| 700 | K | 48.8 | Very low | 43 | Very low | 185 Ų | 185 | 178.6 Ų | 178.6 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -69.5 | 106.1 | 170.8 | -84.8 | -173 | 173 | 179.5 | 0 | 110 | K698 S702 | K698-K700 VanDerWaalsContact C-N 3.32Å; K698-K700 PolarHBondContact O-N 3.41Å; K700-S702 PolarHBondContact O-N 3.18Å | ||
| 701 | R | 40.8 | Very low | 43.3 | Very low | 254 Ų | 254 | 177.5 Ų | 177.5 | 96% | 0.958 | 81% | 0.813 | S | S | * | * | trans | -57.6 | 113.5 | 157.9 | -87.9 | 177.7 | 160.1 | 149.6 | -7.1 | 108.5 | R699 | R699-R701 PolarHBondContact O-N 2.94Å; R699-R701 VanDerWaalsContact O-N 3.16Å | ||
| 702 | S | 44.7 | Very low | 43.5 | Very low | 102 Ų | 102 | 176.6 Ų | 176.6 | 71% | 0.713 | 81% | 0.813 | S | S | * | * | trans | -130.9 | 80.1 | 178 | -73.9 | 0 | 0 | 0 | 0 | 111.3 | K700 | K700-S702 PolarHBondContact O-N 3.18Š| ||
| 703 | R | 46.5 | Very low | 43.6 | Very low | 221 Ų | 221 | 172 Ų | 172 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | 20.1 | 111.7 | 155.9 | -69.9 | 178.2 | 164.7 | 112.8 | -3.3 | 117.1 | R705 | R703-R705 PolarHBondContact O-N 3.23Š| ||
| 704 | S | 38.1 | Very low | 44.1 | Very low | 127 Ų | 127 | 173.9 Ų | 173.9 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -44.6 | 125.4 | 150 | 35.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 705 | R | 46.7 | Very low | 44.3 | Very low | 215 Ų | 215 | 166.9 Ų | 166.9 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -139 | 96.9 | 167.3 | -94.6 | -172.7 | 165.3 | 158.2 | -3.6 | 109.3 | R703 R707 | R703-R705 PolarHBondContact O-N 3.23Å; R705-R707 PolarHBondContact O-N 3.32Å | ||
| 706 | T | 42.6 | Very low | 44.7 | Very low | 150 Ų | 150 | 169.2 Ų | 169.2 | 92% | 0.92 | 81% | 0.808 | S | S | * | * | trans | -51.4 | 126.5 | 162.3 | 40 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 707 | R | 44.2 | Very low | 45.1 | Very low | 226 Ų | 226 | 173.6 Ų | 173.6 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | trans | -131.5 | 81.3 | 171.8 | -115 | -176.2 | 169.1 | -179.1 | -4.3 | 110.1 | R705 R709 | R705-R707 PolarHBondContact O-N 3.32Å; R707-R709 PolarHBondContact O-N 2.87Å | ||
| 708 | S | 42 | Very low | 45 | Very low | 111 Ų | 111 | 179 Ų | 179 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -47.5 | 128.3 | 157.7 | 175.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 709 | R | 47 | Very low | 44.9 | Very low | 239 Ų | 239 | 176.4 Ų | 176.4 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | -110.1 | 108.7 | 164.1 | -86.3 | -173.5 | 163.8 | 175.8 | -4.6 | 107.8 | R707 | R707-R709 PolarHBondContact O-N 2.87Š| ||
| 710 | H | 42.2 | Very low | 45.1 | Very low | 135 Ų | 135 | 175.3 Ų | 175.3 | 63% | 0.625 | 82% | 0.817 | S | S | * | * | trans | -79.2 | 145.2 | -176.8 | -156.6 | 25.6 | 0 | 0 | 0 | 110 | ||||
| 711 | R | 42.9 | Very low | 45 | Very low | 195 Ų | 195 | 172.7 Ų | 172.7 | 74% | 0.736 | 82% | 0.822 | S | S | * | * | trans | 40.6 | 125 | 157.9 | -69.8 | 168 | 178.4 | 156.3 | 1.1 | 118.3 | ||||
| 712 | D | 44.7 | Very low | 45.3 | Very low | 158 Ų | 158 | 171.5 Ų | 171.5 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | -154.5 | 172.1 | 96.2 | -134.1 | -34.7 | 0 | 0 | 0 | 113.6 | |||||
| 713 | S | 44.3 | Very low | 45.6 | Very low | 87 Ų | 87 | 171.8 Ų | 171.8 | 61% | 0.608 | 82% | 0.819 | S | S | * | * | trans | -125.5 | 131.4 | -159.7 | -44.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 714 | K | 48.6 | Very low | 46 | Very low | 197 Ų | 197 | 170.4 Ų | 170.4 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | trans | 179.6 | 98.1 | 151.5 | -91.8 | 134.7 | -163.2 | 165.5 | 0 | 109.3 | ||||
| 715 | S | 48.6 | Very low | 46.2 | Very low | 104 Ų | 104 | 170.4 Ų | 170.4 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | 67.1 | 106.3 | 73.5 | 78.6 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 716 | K | 51.3 | Low | 46.3 | Very low | 202 Ų | 202 | 171.9 Ų | 171.9 | 88% | 0.878 | 82% | 0.823 | S | S | * | * | trans | -166.1 | 121.8 | 145 | -109.4 | 160.9 | -172 | 175.7 | 0 | 112.5 | ||||
| 717 | K | 47.3 | Very low | 46.3 | Very low | 184 Ų | 184 | 173.6 Ų | 173.6 | 80% | 0.8 | 82% | 0.821 | S | S | * | * | trans | 43.5 | 117.9 | 150.5 | -61.2 | -179.5 | -179.2 | -177.6 | 0 | 118.4 | ||||
| 718 | R | 43.5 | Very low | 46.5 | Very low | 238 Ų | 238 | 172.6 Ų | 172.6 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | 61.6 | 131.7 | 78.9 | -71 | -177.8 | 170 | -176.1 | -3.5 | 112.1 | |||||
| 719 | S | 45.8 | Very low | 46.6 | Very low | 122 Ų | 122 | 178.4 Ų | 178.4 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | cis | -142.2 | 171.1 | 41.2 | -70.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 720 | R | 45.9 | Very low | 46.5 | Very low | 230 Ų | 230 | 171.8 Ų | 171.8 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | trans | -103 | 155.9 | 175.5 | -68.9 | 170.3 | 161.6 | 144.2 | -6.9 | 111.2 | ||||
| 721 | S | 46.9 | Very low | 47 | Very low | 129 Ų | 129 | 173.8 Ų | 173.8 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | -138.1 | 150.2 | 147.7 | -86 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 722 | R | 48 | Very low | 46.7 | Very low | 229 Ų | 229 | 174.9 Ų | 174.9 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | trans | -141.3 | 133.7 | -175.8 | -64.3 | 168.3 | 77.2 | 179.2 | 7.3 | 111.1 | ||||
| 723 | S | 51.4 | Low | 47.2 | Very low | 108 Ų | 108 | 179.2 Ų | 179.2 | 76% | 0.755 | 84% | 0.837 | S | S | * | * | trans | -156 | 108 | 156.6 | 37 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 724 | K | 53.4 | Low | 47.3 | Very low | 192 Ų | 192 | 185.7 Ų | 185.7 | 84% | 0.835 | 85% | 0.85 | S | S | * | * | 64.5 | 93.8 | 97.7 | -67.4 | 173.4 | -178.7 | 178.9 | 0 | 111.4 | |||||
| 725 | C | 42 | Very low | 47.3 | Very low | 127 Ų | 127 | 184.9 Ų | 184.9 | 86% | 0.858 | 87% | 0.869 | S | S | * | * | 61.2 | 111.8 | 69.2 | -53.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 726 | R | 48.8 | Very low | 47.3 | Very low | 246 Ų | 246 | 188.9 Ų | 188.9 | 93% | 0.928 | 88% | 0.876 | S | S | * | * | trans | -157.5 | 135.3 | 140.8 | -123.6 | 176.2 | 178.9 | -172.1 | -1.1 | 112.6 | ||||
| 727 | H | 43.1 | Very low | 47.1 | Very low | 187 Ų | 187 | 188.2 Ų | 188.2 | 87% | 0.866 | 88% | 0.876 | S | S | * | * | trans | -114.2 | 134.9 | 172.1 | -103.2 | 38.4 | 0 | 0 | 0 | 109.1 | ||||
| 728 | K | 49.5 | Very low | 47 | Very low | 205 Ų | 205 | 188.4 Ų | 188.4 | 89% | 0.891 | 88% | 0.88 | S | S | * | * | trans | -164.1 | 127.2 | 148 | -68.3 | -157.9 | 178.2 | -171.8 | 0 | 104.9 | ||||
| 729 | R | 42.6 | Very low | 47.3 | Very low | 233 Ų | 233 | 185.5 Ų | 185.5 | 88% | 0.879 | 88% | 0.879 | S | S | * | * | cis | 77.9 | 120.4 | 26.6 | -159.9 | 177.1 | -173.4 | -176.5 | 2.6 | 114.8 | ||||
| 730 | S | 45.1 | Very low | 47.3 | Very low | 100 Ų | 100 | 189.5 Ų | 189.5 | 70% | 0.699 | 88% | 0.88 | S | S | * | * | trans | 70 | 157.6 | 172.1 | 84.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 731 | H | 52.3 | Low | 47.4 | Very low | 176 Ų | 176 | 186.8 Ų | 186.8 | 82% | 0.815 | 88% | 0.881 | S | S | * | * | cis | -143.2 | 155.3 | 9.6 | -123.7 | -66.9 | 0 | 0 | 0 | 112.8 | ||||
| 732 | Y | 37.8 | Very low | 47.5 | Very low | 218 Ų | 218 | 190.9 Ų | 190.9 | 86% | 0.855 | 88% | 0.88 | S | S | * | * | trans | -72.9 | 141.2 | 161.7 | -118.8 | -103.1 | 0 | 0 | 0 | 110.9 | ||||
| 733 | R | 54.8 | Low | 47.4 | Very low | 249 Ų | 249 | 188 Ų | 188 | 94% | 0.94 | 88% | 0.881 | S | S | * | * | trans | -172 | 160 | 134.9 | -110 | 175.3 | -174.7 | -164.4 | 0.1 | 114.3 | ||||
| 734 | Y | 46.2 | Very low | 47.1 | Very low | 224 Ų | 224 | 194.7 Ų | 194.7 | 88% | 0.878 | 89% | 0.891 | S | S | * | * | trans | -58.9 | 151 | 179.5 | -97.6 | -113.1 | 0 | 0 | 0 | 114.8 | ||||
| 735 | S | 49.7 | Very low | 46.5 | Very low | 179 Ų | 179 | 194.9 Ų | 194.9 | 100% | 1.252 | 90% | 0.897 | S | S | * | * | -134.8 | 0 | 112.6 | -173.7 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 735 of 735 residues in 340.1 ms
(Link to these results)