| 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 | L | 74.2 | Confident | 76.6 | Confident | 37 Ų | 37 | 82 Ų | 82 | 19% | 0.194 | 45% | 0.451 | C | S | . | . | 0 | -76.8 | 0 | -64.2 | 177.7 | 0 | 0 | 0 | 113.4 | Q3 K4 G5 Y6 W8 F11 C135 V136 V139 V147 | L1-Q3 VanDerWaalsContact C-N 3.35Å; L1-Q3 PolarHBondContact O-N 3.29Å; L1-K4 CarbonylContact O-C 3.57Å; L1-K4 WeakPolarHBondContact O-CA 3.5Å; L1-K4 WeakPolarHBondContact O-CB 3.42Å; L1-K4 PolarHBondContact O-N 2.81Å; L1-G5 PolarHBondContact O-N 2.78Å; L1-Y6 CarbonylContact C-O 3.34Å; L1-Y6 HydrophobicContact CD2-CD2 4.26Å; L1-Y6 HydrophobicContact CD2-CG 4.47Å; L1-Y6 PolarHBondContact O-N 3.36Å; L1-W8 HydrophobicContact CD1-CE3 3.74Å; L1-W8 HydrophobicContact CD1-CZ3 3.93Å; L1-F11 HydrophobicContact CD1-CD2 4.05Å; L1-F11 HydrophobicContact CD1-CE2 4.04Å; L1-F11 HydrophobicContact CD2-CE2 4.24Å; L1-C135 HydrophobicContact CD1-CB 4.3Å; L1-C135 HydrophobicContact CG-CB 4.36Å; L1-V136 HydrophobicContact CD2-CG2 4.37Å; L1-V139 HydrophobicContact CD2-CB 4.48Å; L1-V139 HydrophobicContact CD2-CG2 3.78Å; L1-V147 HydrophobicContact CD1-CG1 3.76Å | |||
| 2 | S | 78.7 | Confident | 75.1 | Confident | 107 Ų | 107 | 79.3 Ų | 79.3 | 75% | 0.748 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -57.4 | -39.8 | -176.2 | 174.2 | 0 | 0 | 0 | 0 | 114.4 | K4 G5 Y6 | S2-K4 PolarHBondContact O-N 2.77Å; S2-K4 VanDerWaalsContact O-N 3.11Å; S2-G5 PolarHBondContact O-N 2.86Å; S2-Y6 VanDerWaalsContact CA-O 3.32Å; S2-Y6 WeakPolarHBondContact CA-O 3.25Å; S2-Y6 PolarHBondContact N-O 2.9Å |
| 3 | Q | 76.3 | Confident | 73.2 | Confident | 113 Ų | 113 | 83.4 Ų | 83.4 | 53% | 0.528 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -60 | -19.1 | 173.1 | -66.7 | 170.4 | 3.1 | 0 | 0 | 114.2 | L1 D79 | L1-Q3 VanDerWaalsContact C-N 3.35Å; L1-Q3 PolarHBondContact O-N 3.29Å; Q3-D79 PolarHBondContact NE2-OD1 3.47Å |
| 4 | K | 77.6 | Confident | 71.4 | Confident | 123 Ų | 123 | 85.1 Ų | 85.1 | 54% | 0.535 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -102 | 2.5 | 177.4 | -72.5 | -91.5 | -167 | 136.5 | 0 | 112.8 | L1 S2 Y6 V136 D140 | L1-K4 CarbonylContact O-C 3.57Å; L1-K4 WeakPolarHBondContact O-CA 3.5Å; L1-K4 WeakPolarHBondContact O-CB 3.42Å; L1-K4 PolarHBondContact O-N 2.81Å; S2-K4 PolarHBondContact O-N 2.77Å; S2-K4 VanDerWaalsContact O-N 3.11Å; K4-Y6 HydrophobicContact CB-CD2 3.76Å; K4-Y6 HydrophobicContact CB-CE2 3.86Å; K4-V136 HydrophobicContact CD-CG1 4.15Å; K4-V136 HydrophobicContact CG-CG1 4.07Å; K4-V136 HydrophobicContact CG-CG2 4.27Å; K4-D140 IonicContact NZ-OD2 3.98Å |
| 5 | G | 81.4 | Confident | 69.5 | Low | 71 Ų | 71 | 88.8 Ų | 88.8 | 73% | 0.732 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.6 | -0.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | L1 S2 | L1-G5 PolarHBondContact O-N 2.78Å; S2-G5 PolarHBondContact O-N 2.86Å |
| 6 | Y | 80.2 | Confident | 67.8 | Low | 79 Ų | 79 | 95.3 Ų | 95.3 | 31% | 0.31 | 51% | 0.514 | S | S | . | . | trans | -91.6 | 141.5 | -178.6 | -56.1 | -71.8 | 0 | 0 | 0 | 112.9 | L1 S2 K4 V139 | L1-Y6 CarbonylContact C-O 3.34Å; L1-Y6 HydrophobicContact CD2-CD2 4.26Å; L1-Y6 HydrophobicContact CD2-CG 4.47Å; L1-Y6 PolarHBondContact O-N 3.36Å; S2-Y6 VanDerWaalsContact CA-O 3.32Å; S2-Y6 WeakPolarHBondContact CA-O 3.25Å; S2-Y6 PolarHBondContact N-O 2.9Å; K4-Y6 HydrophobicContact CB-CD2 3.76Å; K4-Y6 HydrophobicContact CB-CE2 3.86Å; Y6-V139 HydrophobicContact CD1-CG1 3.72Å; Y6-V139 HydrophobicContact CD2-CG1 4.04Å; Y6-V139 HydrophobicContact CE1-CG1 3.45Å; Y6-V139 VanDerWaalsContact CE1-CG1 3.45Å; Y6-V139 HydrophobicContact CE2-CG1 3.8Å; Y6-V139 HydrophobicContact CG-CG1 4.02Å; Y6-V139 VanDerWaalsContact CZ-CG1 3.5Å | ||
| 7 | S | 81.2 | Confident | 65.7 | Low | 54 Ų | 54 | 98.2 Ų | 98.2 | 38% | 0.378 | 53% | 0.529 | S | S | . | . | trans | -93.3 | 137.3 | 175.6 | -175.3 | 0 | 0 | 0 | 0 | 111.2 | S9 Q10 F11 | S7-S9 PolarHBondContact O-N 2.83Å; S7-S9 PolarHBondContact OG-N 2.63Å; S7-S9 PolarHBondContact OG-OG 2.71Å; S7-Q10 WeakPolarHBondContact O-CB 3.46Å; S7-Q10 PolarHBondContact O-N 2.96Å; S7-Q10 PolarHBondContact O-OE1 2.83Å; S7-F11 WeakPolarHBondContact O-CD2 3.44Å; S7-F11 WeakPolarHBondContact O-CE2 2.97Å | ||
| 8 | W | 72.8 | Confident | 64.2 | Low | 127 Ų | 127 | 106.1 Ų | 106.1 | 48% | 0.481 | 55% | 0.55 | S | S | . | . | G | 310 helix | trans | -59.4 | -33.9 | 174.4 | -177.8 | -102.2 | 0 | 0 | 0 | 112.7 | L1 Q10 F11 S12 V147 A151 | L1-W8 HydrophobicContact CD1-CE3 3.74Å; L1-W8 HydrophobicContact CD1-CZ3 3.93Å; W8-Q10 PolarHBondContact O-N 3.1Å; W8-F11 PolarHBondContact O-N 3.17Å; W8-S12 PolarHBondContact O-N 3.42Å; W8-V147 HydrophobicContact CE3-CG1 4.29Å; W8-V147 HydrophobicContact CH2-CG1 4.01Å; W8-V147 HydrophobicContact CZ3-CG1 3.49Å; W8-V147 VanDerWaalsContact CZ3-CG1 3.49Å; W8-A151 HydrophobicContact CH2-CB 3.6Å; W8-A151 HydrophobicContact CZ2-CB 4.22Å |
| 9 | S | 75.2 | Confident | 62.5 | Low | 70 Ų | 70 | 107.3 Ų | 107.3 | 49% | 0.49 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -63.6 | -8.3 | -179.7 | 66.3 | 0 | 0 | 0 | 0 | 114.6 | S7 F11 S12 | S7-S9 PolarHBondContact O-N 2.83Å; S7-S9 PolarHBondContact OG-N 2.63Å; S7-S9 PolarHBondContact OG-OG 2.71Å; S9-F11 VanDerWaalsContact C-N 3.3Å; S9-S12 WeakPolarHBondContact CA-OG 3.29Å; S9-S12 PolarHBondContact O-OG 3.18Å |
| 10 | Q | 72.6 | Confident | 61.1 | Low | 111 Ų | 111 | 111.4 Ų | 111.4 | 52% | 0.519 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -84 | -10.1 | 174.9 | -67.1 | 165 | -26.4 | 0 | 0 | 112.1 | S7 W8 | S7-Q10 WeakPolarHBondContact O-CB 3.46Å; S7-Q10 PolarHBondContact O-N 2.96Å; S7-Q10 PolarHBondContact O-OE1 2.83Å; W8-Q10 PolarHBondContact O-N 3.1Å |
| 11 | F | 73.1 | Confident | 59.8 | Low | 10 Ų | 10 | 110.1 Ų | 110.1 | 4% | 0.044 | 59% | 0.585 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -125 | -8.5 | -171.2 | -45.2 | -61.8 | 0 | 0 | 0 | 113.2 | L1 S7 W8 S9 V139 Q144 V147 | L1-F11 HydrophobicContact CD1-CD2 4.05Å; L1-F11 HydrophobicContact CD1-CE2 4.04Å; L1-F11 HydrophobicContact CD2-CE2 4.24Å; S7-F11 WeakPolarHBondContact O-CD2 3.44Å; S7-F11 WeakPolarHBondContact O-CE2 2.97Å; W8-F11 PolarHBondContact O-N 3.17Å; S9-F11 VanDerWaalsContact C-N 3.3Å; F11-V139 HydrophobicContact CE1-CG2 3.91Å; F11-V139 HydrophobicContact CE2-CG2 4.31Å; F11-V139 HydrophobicContact CZ-CG1 4.46Å; F11-V139 HydrophobicContact CZ-CG2 3.66Å; F11-Q144 HydrophobicContact CD1-CB 3.99Å; F11-Q144 HydrophobicContact CD1-CG 4.44Å; F11-Q144 HydrophobicContact CE1-CB 3.97Å; F11-Q144 HydrophobicContact CE1-CG 3.9Å; F11-V147 HydrophobicContact CB-CB 4.11Å; F11-V147 HydrophobicContact CB-CG1 3.87Å; F11-V147 HydrophobicContact CD1-CB 4.45Å; F11-V147 HydrophobicContact CD1-CG2 4.39Å; F11-V147 HydrophobicContact CD2-CG1 3.95Å; F11-V147 HydrophobicContact CG-CB 4.14Å; F11-V147 HydrophobicContact CG-CG1 3.88Å; F11-V147 HydrophobicContact CG-CG2 4.43Å |
| 12 | S | 58.7 | Low | 57.9 | Low | 49 Ų | 49 | 113.9 Ų | 113.9 | 34% | 0.343 | 61% | 0.611 | S | S | . | * | trans | -74.9 | -22.5 | -179.2 | 43.3 | 0 | 0 | 0 | 0 | 114.6 | W8 S9 V14 | W8-S12 PolarHBondContact O-N 3.42Å; S9-S12 WeakPolarHBondContact CA-OG 3.29Å; S9-S12 PolarHBondContact O-OG 3.18Å; S12-V14 PolarHBondContact O-N 2.82Å | ||
| 13 | D | 50.4 | Low | 56 | Low | 133 Ų | 133 | 117.3 Ų | 117.3 | 71% | 0.711 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 14.9 | -159.3 | -57.1 | -9.8 | 0 | 0 | 0 | 114.6 | ||
| 14 | V | 46.9 | Very low | 53.8 | Low | 107 Ų | 107 | 120.7 Ų | 120.7 | 65% | 0.648 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -18.4 | -174.8 | -179.3 | 0 | 0 | 0 | 0 | 112.9 | S12 | S12-V14 PolarHBondContact O-N 2.82Š|
| 15 | E | 43.8 | Very low | 52 | Low | 141 Ų | 141 | 120.4 Ų | 120.4 | 66% | 0.659 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -103.3 | -11.4 | -168.7 | -152.5 | 159.5 | 170.7 | 0 | 0 | 114.7 | ||
| 16 | E | 41.8 | Very low | 49.7 | Very low | 193 Ų | 193 | 126.6 Ų | 126.6 | 90% | 0.902 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -127.6 | 50.1 | -174.1 | -155.6 | 174.8 | -166.4 | 0 | 0 | 114.1 | ||
| 17 | N | 32.1 | Very low | 47.5 | Very low | 144 Ų | 144 | 127 Ų | 127 | 77% | 0.77 | 67% | 0.67 | S | S | * | * | trans | -150 | 74.5 | 160.7 | -164.3 | -4.6 | 0 | 0 | 0 | 114 | ||||
| 18 | R | 38.6 | Very low | 45.3 | Very low | 240 Ų | 240 | 132.6 Ų | 132.6 | 91% | 0.906 | 69% | 0.69 | S | S | * | * | trans | -148.5 | 72.7 | 151.1 | -87.3 | -153.3 | 177.9 | 130.4 | 1.1 | 111.2 | ||||
| 19 | T | 32.7 | Very low | 43.4 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | trans | -123.7 | 94.2 | 153.2 | -50.4 | 0 | 0 | 0 | 0 | 106.9 | A21 | T19-A21 PolarHBondContact O-N 3.45Š| ||
| 20 | E | 34.7 | Very low | 41.3 | Very low | 190 Ų | 190 | 143 Ų | 143 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | trans | -66 | 96.9 | 170.4 | -70.3 | 176.1 | 132 | 0 | 0 | 108.2 | ||||
| 21 | A | 32 | Very low | 39.4 | Very low | 85 Ų | 85 | 144.5 Ų | 144.5 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | trans | -80.4 | 124.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | T19 E23 | T19-A21 PolarHBondContact O-N 3.45Å; A21-E23 PolarHBondContact O-N 3.07Å | ||
| 22 | P | 35.8 | Very low | 37.8 | Very low | 115 Ų | 115 | 150 Ų | 150 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | trans | -62.5 | 135.8 | 175.1 | -22.6 | 34.1 | 0 | 0 | 0 | 111.6 | E24 | P22-E24 PolarHBondContact O-N 3.35Š| ||
| 23 | E | 38.1 | Very low | 37 | Very low | 180 Ų | 180 | 153.6 Ų | 153.6 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | trans | -76.2 | 95 | 174.1 | -168.9 | -178.6 | 153.9 | 0 | 0 | 109.3 | A21 | A21-E23 PolarHBondContact O-N 3.07Š| ||
| 24 | E | 30.7 | Very low | 36.1 | Very low | 184 Ų | 184 | 151.8 Ų | 151.8 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -103.4 | 96.9 | 171.4 | -72.6 | -166.4 | 167.2 | 0 | 0 | 111 | P22 | P22-E24 PolarHBondContact O-N 3.35Š| ||
| 25 | T | 38.7 | Very low | 35.5 | Very low | 117 Ų | 117 | 154.1 Ų | 154.1 | 72% | 0.718 | 82% | 0.816 | S | S | * | * | trans | -72 | 119.6 | 164.2 | 47.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 26 | E | 32.8 | Very low | 34.9 | Very low | 200 Ų | 200 | 154.7 Ų | 154.7 | 94% | 0.935 | 82% | 0.823 | S | S | * | * | trans | -133.7 | 130.9 | 151.5 | -71.8 | -156.4 | 141.9 | 0 | 0 | 110.6 | ||||
| 27 | A | 34.9 | Very low | 34.3 | Very low | 89 Ų | 89 | 149.1 Ų | 149.1 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | trans | -121.6 | 144 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 28 | E | 34.1 | Very low | 34.5 | Very low | 170 Ų | 170 | 148.2 Ų | 148.2 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | 63.1 | 124.7 | 168 | -50 | -174.9 | 93.1 | 0 | 0 | 118.4 | ||||
| 29 | R | 33.2 | Very low | 34.7 | Very low | 234 Ų | 234 | 142.5 Ų | 142.5 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | -174 | 153.1 | 94.2 | -94.1 | 162 | -160.3 | -174 | 7.2 | 113.7 | |||||
| 30 | E | 32.1 | Very low | 35.3 | Very low | 182 Ų | 182 | 140 Ų | 140 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -81.8 | 163.6 | -176.8 | -51.7 | 168.9 | 103.5 | 0 | 0 | 113.2 | ||||
| 31 | T | 32 | Very low | 35.5 | Very low | 143 Ų | 143 | 142.6 Ų | 142.6 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | -174 | 156.9 | 122.1 | 21.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 32 | P | 39.2 | Very low | 35.9 | Very low | 126 Ų | 126 | 146 Ų | 146 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -110.8 | 179.7 | -163 | 42.2 | -35.6 | 0 | 0 | 0 | 116.9 | ||||
| 33 | S | 41.7 | Very low | 35.7 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -62 | 145.4 | -172.5 | -51.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 34 | A | 31.5 | Very low | 35.4 | Very low | 96 Ų | 96 | 143.7 Ų | 143.7 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -168.3 | 159.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 35 | I | 34.3 | Very low | 35.5 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 80% | 0.795 | 79% | 0.794 | S | S | * | * | cis | -163.9 | 140.2 | -27.7 | -180 | 58.4 | 0 | 0 | 0 | 109.8 | ||||
| 36 | N | 31.1 | Very low | 35.6 | Very low | 153 Ų | 153 | 142 Ų | 142 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | 20.7 | 131.9 | 160.5 | -166.8 | 21.4 | 0 | 0 | 0 | 122.6 | ||||
| 37 | G | 30 | Very low | 36.4 | Very low | 77 Ų | 77 | 138 Ų | 138 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | 174.1 | 83.2 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 38 | N | 36.2 | Very low | 36.5 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 67% | 0.668 | 80% | 0.797 | S | S | * | * | trans | -86.2 | 158.8 | 174.5 | -160.4 | 26.5 | 0 | 0 | 0 | 111.5 | S40 | N38-S40 PolarHBondContact ND2-OG 3.07Å; N38-S40 VanDerWaalsContact ND2-OG 3.11Å; N38-S40 PolarHBondContact OD1-N 3.32Å | ||
| 39 | P | 43 | Very low | 36.8 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | -143.3 | 156.4 | 82.5 | 32.9 | -13 | 0 | 0 | 0 | 117 | |||||
| 40 | S | 44.5 | Very low | 37.4 | Very low | 76 Ų | 76 | 134 Ų | 134 | 53% | 0.531 | 80% | 0.8 | S | S | . | * | trans | -82 | 163 | -175.7 | -39.9 | 0 | 0 | 0 | 0 | 115.2 | N38 | N38-S40 PolarHBondContact ND2-OG 3.07Å; N38-S40 VanDerWaalsContact ND2-OG 3.11Å; N38-S40 PolarHBondContact OD1-N 3.32Å | ||
| 41 | W | 39.8 | Very low | 38.1 | Very low | 246 Ų | 246 | 129 Ų | 129 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | trans | -122.5 | 155.8 | 154.4 | -70.4 | 101 | 0 | 0 | 0 | 110.8 | ||||
| 42 | H | 39.5 | Very low | 38.4 | Very low | 157 Ų | 157 | 127 Ų | 127 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -97.9 | 154 | -149 | -76.3 | -104 | 0 | 0 | 0 | 117.2 | ||||
| 43 | L | 32.1 | Very low | 38.8 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | 23.2 | 132.6 | 149.8 | -73.4 | 90.3 | 0 | 0 | 0 | 121.1 | ||||
| 44 | A | 32.3 | Very low | 38.9 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -149.1 | 117.2 | 131.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 45 | D | 32.4 | Very low | 39.3 | Very low | 144 Ų | 144 | 127.1 Ų | 127.1 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -79 | 138.4 | 166.9 | -78.4 | -63.7 | 0 | 0 | 0 | 110.8 | ||||
| 46 | S | 41 | Very low | 39.7 | Very low | 121 Ų | 121 | 126 Ų | 126 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -173.5 | 157.3 | 138.1 | -86.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 47 | P | 49.2 | Very low | 40.3 | Very low | 117 Ų | 117 | 124.2 Ų | 124.2 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -114.8 | 173 | -153.1 | 41.2 | -32.5 | 0 | 0 | 0 | 116.2 | ||||
| 48 | A | 37.3 | Very low | 41.1 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | 70.5 | 115.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 49 | V | 40.1 | Very low | 41.6 | Very low | 142 Ų | 142 | 126.8 Ų | 126.8 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | -154.8 | 144.1 | 105.7 | 79.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 50 | N | 46.6 | Very low | 41.5 | Very low | 165 Ų | 165 | 128.6 Ų | 128.6 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | -84.7 | 144.1 | 170.1 | -60.4 | -58.4 | 0 | 0 | 0 | 109.7 | ||||
| 51 | G | 45.7 | Very low | 41.4 | Very low | 78 Ų | 78 | 129.9 Ų | 129.9 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 134.2 | 76.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 52 | A | 39.1 | Very low | 41.4 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -148.7 | 62.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | G54 | A52-G54 PolarHBondContact O-N 3.16Š| ||
| 53 | T | 47 | Very low | 41.8 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | trans | -64.3 | 91.9 | 155.9 | 26.6 | 0 | 0 | 0 | 0 | 107.6 | H55 | T53-H55 VanDerWaalsContact C-N 3.32Å; T53-H55 PolarHBondContact O-N 3.29Å | ||
| 54 | G | 43.4 | Very low | 42.8 | Very low | 76 Ų | 76 | 127.8 Ų | 127.8 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | -66.5 | 85.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A52 | A52-G54 PolarHBondContact O-N 3.16Š| ||
| 55 | H | 41.8 | Very low | 44 | Very low | 148 Ų | 148 | 126.2 Ų | 126.2 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | -122.5 | 36.6 | 176 | -67.2 | -122.4 | 0 | 0 | 0 | 111.1 | T53 S57 | T53-H55 VanDerWaalsContact C-N 3.32Å; T53-H55 PolarHBondContact O-N 3.29Å; H55-S57 PolarHBondContact O-N 2.85Å; H55-S57 VanDerWaalsContact O-N 3.1Å | ||
| 56 | S | 42.6 | Very low | 45.8 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 92% | 0.923 | 77% | 0.771 | S | S | * | * | trans | -80.8 | 70.7 | 159.5 | -73.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 57 | S | 42.5 | Very low | 47 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -133.7 | 45.9 | 165.1 | 70.9 | 0 | 0 | 0 | 0 | 109.6 | H55 | H55-S57 PolarHBondContact O-N 2.85Å; H55-S57 VanDerWaalsContact O-N 3.1Å | ||
| 58 | S | 47.8 | Very low | 48 | Very low | 96 Ų | 96 | 120.9 Ų | 120.9 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | trans | -116.4 | 141.1 | 168.2 | -172.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 59 | L | 46.6 | Very low | 49.4 | Very low | 159 Ų | 159 | 118.6 Ų | 118.6 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 72.3 | 57.7 | -176.2 | -43.7 | 179.8 | 0 | 0 | 0 | 115.6 | ||
| 60 | D | 39.8 | Very low | 50.8 | Low | 157 Ų | 157 | 112.1 Ų | 112.1 | 84% | 0.84 | 69% | 0.692 | S | S | * | * | -170.9 | 57.6 | 127.8 | -104.1 | -35.3 | 0 | 0 | 0 | 111.4 | R62 | D60-R62 PolarHBondContact O-N 2.78Š| |||
| 61 | A | 41.9 | Very low | 52 | Low | 103 Ų | 103 | 111.2 Ų | 111.2 | 85% | 0.851 | 68% | 0.68 | S | S | * | * | trans | -72.9 | 71.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | E63 | A61-E63 PolarHBondContact O-N 3.3Å; A61-E63 VanDerWaalsContact O-N 3.13Å | ||
| 62 | R | 40.8 | Very low | 53.3 | Low | 218 Ų | 218 | 111.8 Ų | 111.8 | 82% | 0.823 | 66% | 0.662 | S | S | * | * | trans | -45.4 | 120.2 | 174 | -179.2 | 171.7 | 173.8 | 167.5 | -3.7 | 107.7 | D60 V64 | D60-R62 PolarHBondContact O-N 2.78Å; R62-V64 VanDerWaalsContact C-N 3.25Å; R62-V64 WeakPolarHBondContact O-CG2 3.45Å; R62-V64 PolarHBondContact O-N 2.81Å | ||
| 63 | E | 47.4 | Very low | 54.8 | Low | 160 Ų | 160 | 107.4 Ų | 107.4 | 75% | 0.748 | 63% | 0.626 | S | S | * | * | trans | -69.7 | 79.1 | -165.5 | -166.5 | 175 | -157 | 0 | 0 | 110.8 | A61 I65 | A61-E63 PolarHBondContact O-N 3.3Å; A61-E63 VanDerWaalsContact O-N 3.13Å; E63-I65 PolarHBondContact O-N 3.41Å | ||
| 64 | V | 54.1 | Low | 56.1 | Low | 124 Ų | 124 | 103.2 Ų | 103.2 | 75% | 0.752 | 60% | 0.599 | S | S | * | * | trans | -69.1 | 105.4 | 177.6 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | R62 P66 | R62-V64 VanDerWaalsContact C-N 3.25Å; R62-V64 WeakPolarHBondContact O-CG2 3.45Å; R62-V64 PolarHBondContact O-N 2.81Å; V64-P66 WeakPolarHBondContact O-CD 3.49Å; V64-P66 VanDerWaalsContact O-N 3.1Å | ||
| 65 | I | 58.1 | Low | 57.7 | Low | 70 Ų | 70 | 106.2 Ų | 106.2 | 36% | 0.359 | 59% | 0.586 | S | S | . | * | trans | -48.7 | 118.8 | 172.5 | -56.8 | 156.7 | 0 | 0 | 0 | 107.5 | E63 M67 V70 | E63-I65 PolarHBondContact O-N 3.41Å; I65-M67 PolarHBondContact O-N 3.13Å; I65-V70 HydrophobicContact CG2-CG2 3.73Å | ||
| 66 | P | 68.8 | Low | 59.3 | Low | 85 Ų | 85 | 102.1 Ų | 102.1 | 55% | 0.552 | 57% | 0.568 | S | S | * | * | trans | -67.2 | 106.7 | -177.2 | 24.2 | -31.7 | 0 | 0 | 0 | 108.6 | V64 A68 A69 | V64-P66 WeakPolarHBondContact O-CD 3.49Å; V64-P66 VanDerWaalsContact O-N 3.1Å; P66-A68 PolarHBondContact O-N 3.36Å; P66-A69 HydrophobicContact CG-CB 4.06Å; P66-A69 WeakPolarHBondContact O-CB 3.26Å; P66-A69 PolarHBondContact O-N 3.14Å | ||
| 67 | M | 67.4 | Low | 60.6 | Low | 111 Ų | 111 | 96.3 Ų | 96.3 | 55% | 0.547 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -53.9 | -24.3 | -179.2 | -77.7 | -57.2 | -56.9 | 0 | 0 | 113.4 | I65 A69 V70 K71 | I65-M67 PolarHBondContact O-N 3.13Å; M67-A69 VanDerWaalsContact C-N 3.34Å; M67-V70 PolarHBondContact O-N 3.49Å; M67-K71 WeakPolarHBondContact O-CB 3.19Å; M67-K71 VanDerWaalsContact O-CG 3.24Å; M67-K71 WeakPolarHBondContact O-CG 3.09Å; M67-K71 PolarHBondContact O-N 3.48Å |
| 68 | A | 68.8 | Low | 62.1 | Low | 75 Ų | 75 | 91.2 Ų | 91.2 | 62% | 0.62 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.6 | -40.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113 | P66 Q72 | P66-A68 PolarHBondContact O-N 3.36Å; A68-Q72 VanDerWaalsContact O-CB 3.23Å; A68-Q72 WeakPolarHBondContact O-CB 3.39Å; A68-Q72 PolarHBondContact O-N 3.07Å |
| 69 | A | 66.5 | Low | 63.5 | Low | 53 Ų | 53 | 89.6 Ų | 89.6 | 44% | 0.438 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70 | -40.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | P66 M67 Q72 A73 | P66-A69 HydrophobicContact CG-CB 4.06Å; P66-A69 WeakPolarHBondContact O-CB 3.26Å; P66-A69 PolarHBondContact O-N 3.14Å; M67-A69 VanDerWaalsContact C-N 3.34Å; A69-Q72 PolarHBondContact O-N 3.5Å; A69-A73 VanDerWaalsContact O-CB 3.27Å; A69-A73 WeakPolarHBondContact O-CB 3.31Å; A69-A73 PolarHBondContact O-N 3.17Å |
| 70 | V | 71 | Confident | 64.7 | Low | 6 Ų | 6 | 85.4 Ų | 85.4 | 4% | 0.036 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -63 | -49.4 | 175.1 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | I65 M67 Q72 A73 L74 W172 | I65-V70 HydrophobicContact CG2-CG2 3.73Å; M67-V70 PolarHBondContact O-N 3.49Å; V70-Q72 PolarHBondContact O-N 2.63Å; V70-A73 PolarHBondContact O-N 2.94Å; V70-L74 HydrophobicContact CG1-CD1 4.08Å; V70-L74 WeakPolarHBondContact O-CB 3.29Å; V70-L74 WeakPolarHBondContact O-CG 3.34Å; V70-L74 PolarHBondContact O-N 2.87Å; V70-W172 HydrophobicContact CG1-CB 4.39Å; V70-W172 HydrophobicContact CG1-CD2 4.29Å; V70-W172 HydrophobicContact CG1-CE3 3.88Å; V70-W172 HydrophobicContact CG2-CB 4.12Å |
| 71 | K | 71.4 | Confident | 66.3 | Low | 145 Ų | 145 | 78.8 Ų | 78.8 | 63% | 0.63 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -58.4 | -45.2 | 176.1 | -73.7 | 173.1 | 178.4 | -175 | 0 | 112.4 | M67 R75 | M67-K71 WeakPolarHBondContact O-CB 3.19Å; M67-K71 VanDerWaalsContact O-CG 3.24Å; M67-K71 WeakPolarHBondContact O-CG 3.09Å; M67-K71 PolarHBondContact O-N 3.48Å; K71-R75 WeakPolarHBondContact O-CB 3.37Å; K71-R75 PolarHBondContact O-N 3.49Å |
| 72 | Q | 73 | Confident | 67.8 | Low | 90 Ų | 90 | 77.2 Ų | 77.2 | 42% | 0.421 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 178.7 | 178 | 58.2 | 29 | 0 | 0 | 112 | A68 A69 V70 R75 E76 | A68-Q72 VanDerWaalsContact O-CB 3.23Å; A68-Q72 WeakPolarHBondContact O-CB 3.39Å; A68-Q72 PolarHBondContact O-N 3.07Å; A69-Q72 PolarHBondContact O-N 3.5Å; V70-Q72 PolarHBondContact O-N 2.63Å; Q72-R75 PolarHBondContact O-N 3.44Å; Q72-E76 PolarHBondContact NE2-OE1 3.06Å; Q72-E76 PolarHBondContact O-N 2.64Å |
| 73 | A | 71.1 | Confident | 69.5 | Low | 9 Ų | 9 | 71.9 Ų | 71.9 | 7% | 0.074 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -71.6 | -39.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A69 V70 R75 E76 A77 L180 F184 | A69-A73 VanDerWaalsContact O-CB 3.27Å; A69-A73 WeakPolarHBondContact O-CB 3.31Å; A69-A73 PolarHBondContact O-N 3.17Å; V70-A73 PolarHBondContact O-N 2.94Å; A73-R75 VanDerWaalsContact C-N 3.27Å; A73-R75 PolarHBondContact O-N 3.16Å; A73-E76 PolarHBondContact O-N 2.84Å; A73-A77 VanDerWaalsContact O-CB 3.31Å; A73-A77 WeakPolarHBondContact O-CB 3.38Å; A73-A77 PolarHBondContact O-N 3.45Å; A73-L180 HydrophobicContact CB-CB 3.81Å; A73-L180 HydrophobicContact CB-CD2 3.48Å; A73-L180 VanDerWaalsContact CB-CD2 3.48Å; A73-L180 HydrophobicContact CB-CG 4.23Å; A73-F184 HydrophobicContact CB-CE2 4.3Å |
| 74 | L | 73 | Confident | 70.4 | Confident | 36 Ų | 36 | 69.9 Ų | 69.9 | 19% | 0.188 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.4 | -38.7 | 170.4 | -78.7 | 172.5 | 0 | 0 | 0 | 111.4 | V70 G78 F128 W172 | V70-L74 HydrophobicContact CG1-CD1 4.08Å; V70-L74 WeakPolarHBondContact O-CB 3.29Å; V70-L74 WeakPolarHBondContact O-CG 3.34Å; V70-L74 PolarHBondContact O-N 2.87Å; L74-G78 PolarHBondContact O-N 3.26Å; L74-F128 HydrophobicContact CD1-CE2 4.08Å; L74-F128 HydrophobicContact CD1-CZ 4.17Å; L74-F128 HydrophobicContact CD2-CD2 3.79Å; L74-F128 HydrophobicContact CD2-CE2 3.88Å; L74-W172 HydrophobicContact CD1-CZ3 4.31Å; L74-W172 HydrophobicContact CD2-CZ3 4.26Å |
| 75 | R | 78.3 | Confident | 71 | Confident | 138 Ų | 138 | 66.1 Ų | 66.1 | 52% | 0.521 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.4 | -48.4 | 175.3 | -174.7 | 175 | 178.4 | -133.7 | -7.9 | 112.5 | K71 Q72 A73 A77 G78 D79 | K71-R75 WeakPolarHBondContact O-CB 3.37Å; K71-R75 PolarHBondContact O-N 3.49Å; Q72-R75 PolarHBondContact O-N 3.44Å; A73-R75 VanDerWaalsContact C-N 3.27Å; A73-R75 PolarHBondContact O-N 3.16Å; R75-A77 VanDerWaalsContact C-N 3.3Å; R75-A77 PolarHBondContact O-N 3.35Å; R75-G78 PolarHBondContact O-N 3.09Å; R75-D79 IonicContact NE-OD2 3.94Å; R75-D79 WeakPolarHBondContact O-CB 3.3Å; R75-D79 VanDerWaalsContact O-CG 3.29Å; R75-D79 PolarHBondContact O-N 3.43Å |
| 76 | E | 75.2 | Confident | 71.4 | Confident | 63 Ų | 63 | 70.1 Ų | 70.1 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.8 | -43.3 | 175.2 | -78.5 | 177.5 | -144.2 | 0 | 0 | 111.6 | Q72 A73 E80 R181 | Q72-E76 PolarHBondContact NE2-OE1 3.06Å; Q72-E76 PolarHBondContact O-N 2.64Å; A73-E76 PolarHBondContact O-N 2.84Å; E76-E80 WeakPolarHBondContact O-CB 3.2Å; E76-E80 PolarHBondContact O-N 2.93Å; E76-E80 VanDerWaalsContact O-N 3.08Å; E76-R181 IonicContact OE1-NH2 3.87Å; E76-R181 IonicContact OE2-CZ 3.2Å; E76-R181 IonicContact OE2-NE 2.82Å; E76-R181 PolarHBondContact OE2-NE 3.49Å; E76-R181 IonicContact OE2-NH2 2.75Å; E76-R181 PolarHBondContact OE2-NH2 2.74Å |
| 77 | A | 69.1 | Low | 71.2 | Confident | 9 Ų | 9 | 76.1 Ų | 76.1 | 7% | 0.074 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.9 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A73 R75 E80 F81 V125 F184 | A73-A77 VanDerWaalsContact O-CB 3.31Å; A73-A77 WeakPolarHBondContact O-CB 3.38Å; A73-A77 PolarHBondContact O-N 3.45Å; R75-A77 VanDerWaalsContact C-N 3.3Å; R75-A77 PolarHBondContact O-N 3.35Å; A77-E80 PolarHBondContact O-N 3.42Å; A77-F81 WeakPolarHBondContact O-CB 3.38Å; A77-F81 PolarHBondContact O-N 3Å; A77-V125 HydrophobicContact CB-CG1 4.08Å; A77-V125 HydrophobicContact CB-CG2 3.86Å; A77-F184 HydrophobicContact CB-CD1 3.98Å; A77-F184 HydrophobicContact CB-CD2 4.43Å; A77-F184 HydrophobicContact CB-CE1 4Å; A77-F184 HydrophobicContact CB-CE2 4.43Å; A77-F184 HydrophobicContact CB-CG 4.23Å; A77-F184 HydrophobicContact CB-CZ 4.23Å |
| 78 | G | 75.1 | Confident | 71.1 | Confident | 9 Ų | 9 | 71.9 Ų | 71.9 | 9% | 0.093 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | L74 R75 E80 F81 E82 | L74-G78 PolarHBondContact O-N 3.26Å; R75-G78 PolarHBondContact O-N 3.09Å; G78-E80 VanDerWaalsContact C-N 3.3Å; G78-E80 PolarHBondContact O-N 3.49Å; G78-F81 PolarHBondContact O-N 3.44Å; G78-E82 WeakPolarHBondContact O-CB 3.44Å; G78-E82 WeakPolarHBondContact O-CG 3.36Å; G78-E82 PolarHBondContact O-N 3.01Å |
| 79 | D | 76.9 | Confident | 70.8 | Confident | 62 Ų | 62 | 69.1 Ų | 69.1 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.5 | -41 | 175.9 | -72.1 | -26.1 | 0 | 0 | 0 | 111.2 | Q3 R75 L83 | Q3-D79 PolarHBondContact NE2-OD1 3.47Å; R75-D79 IonicContact NE-OD2 3.94Å; R75-D79 WeakPolarHBondContact O-CB 3.3Å; R75-D79 VanDerWaalsContact O-CG 3.29Å; R75-D79 PolarHBondContact O-N 3.43Å; D79-L83 WeakPolarHBondContact O-CB 3.32Å; D79-L83 PolarHBondContact O-N 3.47Å; D79-L83 VanDerWaalsContact O-N 3.13Å |
| 80 | E | 72.2 | Confident | 70.7 | Confident | 71 Ų | 71 | 69.5 Ų | 69.5 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -73.1 | -35.2 | 179 | -155.1 | -166.6 | 165.8 | 0 | 0 | 112.8 | E76 A77 G78 R84 | E76-E80 WeakPolarHBondContact O-CB 3.2Å; E76-E80 PolarHBondContact O-N 2.93Å; E76-E80 VanDerWaalsContact O-N 3.08Å; A77-E80 PolarHBondContact O-N 3.42Å; G78-E80 VanDerWaalsContact C-N 3.3Å; G78-E80 PolarHBondContact O-N 3.49Å; E80-R84 PolarHBondContact O-N 3.16Å; E80-R84 IonicContact OE1-CZ 3.5Å; E80-R84 IonicContact OE1-NH1 3.18Å; E80-R84 PolarHBondContact OE1-NH1 3.04Å; E80-R84 IonicContact OE1-NH2 2.69Å; E80-R84 PolarHBondContact OE1-NH2 3.22Å; E80-R84 IonicContact OE2-NH1 2.78Å |
| 81 | F | 72 | Confident | 70.4 | Confident | 17 Ų | 17 | 73.1 Ų | 73.1 | 8% | 0.075 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -71.2 | -48.5 | 178.5 | -176.3 | -93.4 | 0 | 0 | 0 | 111.2 | A77 G78 L83 R84 Y85 F89 V125 A126 V197 | A77-F81 WeakPolarHBondContact O-CB 3.38Å; A77-F81 PolarHBondContact O-N 3Å; G78-F81 PolarHBondContact O-N 3.44Å; F81-L83 VanDerWaalsContact C-N 3.28Å; F81-L83 PolarHBondContact O-N 3.13Å; F81-R84 PolarHBondContact O-N 2.93Å; F81-Y85 HydrophobicContact CD1-CD2 4.1Å; F81-Y85 AromaticContact CD2-CD2 3.5Å; F81-Y85 HydrophobicContact CD2-CD2 3.5Å; F81-Y85 AromaticContact CD2-CE2 3.41Å; F81-Y85 HydrophobicContact CD2-CE2 3.41Å; F81-Y85 VanDerWaalsContact CD2-CE2 3.41Å; F81-Y85 HydrophobicContact CE1-CD2 4.03Å; F81-Y85 AromaticContact CE2-CD2 3.41Å; F81-Y85 HydrophobicContact CE2-CD2 3.41Å; F81-Y85 VanDerWaalsContact CE2-CD2 3.41Å; F81-Y85 AromaticContact CE2-CE2 3.36Å; F81-Y85 HydrophobicContact CE2-CE2 3.36Å; F81-Y85 AromaticContact CG-CD2 3.82Å; F81-Y85 HydrophobicContact CG-CD2 3.82Å; F81-Y85 HydrophobicContact CG-CE2 4.15Å; F81-Y85 AromaticContact CZ-CD2 3.67Å; F81-Y85 HydrophobicContact CZ-CD2 3.67Å; F81-Y85 HydrophobicContact CZ-CE2 4.08Å; F81-Y85 VanDerWaalsContact O-CD2 3.23Å; F81-Y85 WeakPolarHBondContact O-CD2 3.25Å; F81-Y85 PolarHBondContact O-N 3.43Å; F81-F89 HydrophobicContact CD1-CE2 4.33Å; F81-F89 HydrophobicContact CD1-CZ 4.48Å; F81-F89 HydrophobicContact CE1-CD2 4.25Å; F81-F89 AromaticContact CE1-CE2 3.37Å; F81-F89 HydrophobicContact CE1-CE2 3.37Å; F81-F89 AromaticContact CE1-CZ 3.55Å; F81-F89 HydrophobicContact CE1-CZ 3.55Å; F81-F89 AromaticContact CZ-CE2 3.97Å; F81-F89 HydrophobicContact CZ-CE2 3.97Å; F81-F89 HydrophobicContact CZ-CZ 4.34Å; F81-V125 HydrophobicContact CB-CG1 3.85Å; F81-V125 HydrophobicContact CD1-CG1 4.44Å; F81-V125 HydrophobicContact CD2-CG1 4.17Å; F81-V125 HydrophobicContact CG-CG1 3.92Å; F81-A126 HydrophobicContact CE1-CB 3.84Å; F81-A126 HydrophobicContact CE2-CB 4.09Å; F81-A126 HydrophobicContact CZ-CB 3.38Å; F81-V197 HydrophobicContact CZ-CG1 4.05Å |
| 82 | E | 73.7 | Confident | 70 | Confident | 70 Ų | 70 | 67.3 Ų | 67.3 | 33% | 0.327 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.2 | -36.6 | 172 | -74.4 | 178.7 | -150 | 0 | 0 | 112.2 | G78 R86 | G78-E82 WeakPolarHBondContact O-CB 3.44Å; G78-E82 WeakPolarHBondContact O-CG 3.36Å; G78-E82 PolarHBondContact O-N 3.01Å; E82-R86 VanDerWaalsContact O-CA 3.25Å; E82-R86 WeakPolarHBondContact O-CA 3.35Å; E82-R86 VanDerWaalsContact O-CB 3.27Å; E82-R86 WeakPolarHBondContact O-CB 3.27Å; E82-R86 PolarHBondContact O-N 3.34Å |
| 83 | L | 75.8 | Confident | 69.6 | Low | 106 Ų | 106 | 64 Ų | 64 | 56% | 0.555 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64 | -41 | 175.9 | 178.3 | 62.7 | 0 | 0 | 0 | 112.4 | D79 F81 R86 | D79-L83 WeakPolarHBondContact O-CB 3.32Å; D79-L83 PolarHBondContact O-N 3.47Å; D79-L83 VanDerWaalsContact O-N 3.13Å; F81-L83 VanDerWaalsContact C-N 3.28Å; F81-L83 PolarHBondContact O-N 3.13Å; L83-R86 VanDerWaalsContact CD1-NH2 3.3Å |
| 84 | R | 67.9 | Low | 69.3 | Low | 119 Ų | 119 | 67.3 Ų | 67.3 | 45% | 0.449 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -75.2 | -42.2 | 179.3 | -74.1 | -162.8 | -178.1 | 84.9 | 8.6 | 113 | E80 F81 V188 | E80-R84 PolarHBondContact O-N 3.16Å; E80-R84 IonicContact OE1-CZ 3.5Å; E80-R84 IonicContact OE1-NH1 3.18Å; E80-R84 PolarHBondContact OE1-NH1 3.04Å; E80-R84 IonicContact OE1-NH2 2.69Å; E80-R84 PolarHBondContact OE1-NH2 3.22Å; E80-R84 IonicContact OE2-NH1 2.78Å; F81-R84 PolarHBondContact O-N 2.93Å; R84-V188 VanDerWaalsContact NH1-CG1 3.3Å; R84-V188 VanDerWaalsContact NH2-CG1 3.28Å |
| 85 | Y | 65.2 | Low | 68.7 | Low | 44 Ų | 44 | 69.7 Ų | 69.7 | 17% | 0.173 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -104.2 | 15.1 | -170.4 | -52.5 | -56.2 | 0 | 0 | 0 | 113.5 | F81 R87 A88 F89 A194 C198 | F81-Y85 HydrophobicContact CD1-CD2 4.1Å; F81-Y85 AromaticContact CD2-CD2 3.5Å; F81-Y85 HydrophobicContact CD2-CD2 3.5Å; F81-Y85 AromaticContact CD2-CE2 3.41Å; F81-Y85 HydrophobicContact CD2-CE2 3.41Å; F81-Y85 VanDerWaalsContact CD2-CE2 3.41Å; F81-Y85 HydrophobicContact CE1-CD2 4.03Å; F81-Y85 AromaticContact CE2-CD2 3.41Å; F81-Y85 HydrophobicContact CE2-CD2 3.41Å; F81-Y85 VanDerWaalsContact CE2-CD2 3.41Å; F81-Y85 AromaticContact CE2-CE2 3.36Å; F81-Y85 HydrophobicContact CE2-CE2 3.36Å; F81-Y85 AromaticContact CG-CD2 3.82Å; F81-Y85 HydrophobicContact CG-CD2 3.82Å; F81-Y85 HydrophobicContact CG-CE2 4.15Å; F81-Y85 AromaticContact CZ-CD2 3.67Å; F81-Y85 HydrophobicContact CZ-CD2 3.67Å; F81-Y85 HydrophobicContact CZ-CE2 4.08Å; F81-Y85 VanDerWaalsContact O-CD2 3.23Å; F81-Y85 WeakPolarHBondContact O-CD2 3.25Å; F81-Y85 PolarHBondContact O-N 3.43Å; Y85-R87 PolarHBondContact O-N 3.07Å; Y85-A88 PolarHBondContact O-N 2.89Å; Y85-A88 VanDerWaalsContact O-N 3.12Å; Y85-F89 PolarHBondContact O-N 3.28Å; Y85-A194 HydrophobicContact CE1-CB 3.49Å; Y85-A194 VanDerWaalsContact CE1-CB 3.49Å; Y85-A194 WeakPolarHBondContact OH-CB 3.45Å; Y85-C198 WeakPolarHBondContact CD1-SG 3.23Å |
| 86 | R | 67.3 | Low | 68 | Low | 154 Ų | 154 | 64 Ų | 64 | 58% | 0.581 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -44.1 | -41 | -176.5 | -172.7 | 174.1 | -69.4 | 138.6 | -0.4 | 115.1 | E82 L83 S90 | E82-R86 VanDerWaalsContact O-CA 3.25Å; E82-R86 WeakPolarHBondContact O-CA 3.35Å; E82-R86 VanDerWaalsContact O-CB 3.27Å; E82-R86 WeakPolarHBondContact O-CB 3.27Å; E82-R86 PolarHBondContact O-N 3.34Å; L83-R86 VanDerWaalsContact CD1-NH2 3.3Å; R86-S90 WeakPolarHBondContact O-CB 3.29Å; R86-S90 PolarHBondContact O-N 3.02Å |
| 87 | R | 65.4 | Low | 67.5 | Low | 211 Ų | 211 | 68.4 Ų | 68.4 | 80% | 0.796 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -68.2 | -60.7 | 179.2 | -69.6 | -176.1 | -177.2 | 156.1 | 0.5 | 110.6 | Y85 F89 S90 D91 | Y85-R87 PolarHBondContact O-N 3.07Å; R87-F89 PolarHBondContact O-N 3.4Å; R87-F89 VanDerWaalsContact O-N 3.17Å; R87-S90 CarbonylContact O-C 3.58Å; R87-S90 WeakPolarHBondContact O-CA 3.25Å; R87-S90 WeakPolarHBondContact O-CB 3.37Å; R87-S90 PolarHBondContact O-N 3.23Å; R87-D91 PolarHBondContact O-N 2.94Å; R87-D91 VanDerWaalsContact O-OD2 3.08Å |
| 88 | A | 63.6 | Low | 67.4 | Low | 22 Ų | 22 | 68.4 Ų | 68.4 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -53.8 | -39.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y85 D91 L92 C198 | Y85-A88 PolarHBondContact O-N 2.89Å; Y85-A88 VanDerWaalsContact O-N 3.12Å; A88-D91 PolarHBondContact O-N 2.99Å; A88-L92 WeakPolarHBondContact O-CB 3.26Å; A88-L92 PolarHBondContact O-N 3.21Å; A88-C198 HydrophobicContact CB-CB 3.57Å; A88-C198 VanDerWaalsContact CB-SG 3.57Å |
| 89 | F | 63.5 | Low | 67.3 | Low | 17 Ų | 17 | 71.1 Ų | 71.1 | 8% | 0.075 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 174.2 | -96.7 | -98.5 | 0 | 0 | 0 | 113.4 | F81 Y85 R87 D91 L92 T93 F130 V197 | F81-F89 HydrophobicContact CD1-CE2 4.33Å; F81-F89 HydrophobicContact CD1-CZ 4.48Å; F81-F89 HydrophobicContact CE1-CD2 4.25Å; F81-F89 AromaticContact CE1-CE2 3.37Å; F81-F89 HydrophobicContact CE1-CE2 3.37Å; F81-F89 AromaticContact CE1-CZ 3.55Å; F81-F89 HydrophobicContact CE1-CZ 3.55Å; F81-F89 AromaticContact CZ-CE2 3.97Å; F81-F89 HydrophobicContact CZ-CE2 3.97Å; F81-F89 HydrophobicContact CZ-CZ 4.34Å; Y85-F89 PolarHBondContact O-N 3.28Å; R87-F89 PolarHBondContact O-N 3.4Å; R87-F89 VanDerWaalsContact O-N 3.17Å; F89-D91 VanDerWaalsContact C-N 3.3Å; F89-D91 PolarHBondContact O-N 3.25Å; F89-L92 PolarHBondContact O-N 2.89Å; F89-T93 WeakPolarHBondContact O-CG2 3.29Å; F89-T93 PolarHBondContact O-N 2.98Å; F89-T93 PolarHBondContact O-OG1 3.47Å; F89-T93 VanDerWaalsContact O-OG1 3.08Å; F89-F130 HydrophobicContact CE1-CB 4.24Å; F89-V197 HydrophobicContact CE2-CG1 4.36Å |
| 90 | S | 64.8 | Low | 67.2 | Low | 61 Ų | 61 | 71.5 Ų | 71.5 | 43% | 0.427 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.4 | -37.8 | 174.3 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | R86 R87 T93 S94 | R86-S90 WeakPolarHBondContact O-CB 3.29Å; R86-S90 PolarHBondContact O-N 3.02Å; R87-S90 CarbonylContact O-C 3.58Å; R87-S90 WeakPolarHBondContact O-CA 3.25Å; R87-S90 WeakPolarHBondContact O-CB 3.37Å; R87-S90 PolarHBondContact O-N 3.23Å; S90-T93 PolarHBondContact O-OG1 3.05Å; S90-S94 VanDerWaalsContact O-CB 3.26Å; S90-S94 WeakPolarHBondContact O-CB 3.38Å; S90-S94 PolarHBondContact O-N 2.79Å; S90-S94 PolarHBondContact O-OG 3.48Å |
| 91 | D | 65 | Low | 67.5 | Low | 82 Ų | 82 | 71.5 Ų | 71.5 | 44% | 0.439 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -72.3 | -40.6 | 179.7 | -59.2 | -32.8 | 0 | 0 | 0 | 110.3 | R87 A88 F89 S94 Q95 | R87-D91 PolarHBondContact O-N 2.94Å; R87-D91 VanDerWaalsContact O-OD2 3.08Å; A88-D91 PolarHBondContact O-N 2.99Å; F89-D91 VanDerWaalsContact C-N 3.3Å; F89-D91 PolarHBondContact O-N 3.25Å; D91-S94 PolarHBondContact O-N 3.07Å; D91-Q95 WeakPolarHBondContact O-CB 3.39Å; D91-Q95 VanDerWaalsContact O-CG 3.25Å; D91-Q95 WeakPolarHBondContact O-CG 3.23Å; D91-Q95 PolarHBondContact O-N 3.08Å; D91-Q95 VanDerWaalsContact O-N 3.14Å; D91-Q95 PolarHBondContact O-NE2 2.94Å; D91-Q95 VanDerWaalsContact O-NE2 3.13Å |
| 92 | L | 62.6 | Low | 67.9 | Low | 24 Ų | 24 | 73 Ų | 73 | 13% | 0.126 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 174.2 | -176.9 | 69 | 0 | 0 | 0 | 112 | A88 F89 S94 Q95 L96 F130 | A88-L92 WeakPolarHBondContact O-CB 3.26Å; A88-L92 PolarHBondContact O-N 3.21Å; F89-L92 PolarHBondContact O-N 2.89Å; L92-S94 VanDerWaalsContact C-N 3.34Å; L92-S94 PolarHBondContact O-N 3.12Å; L92-Q95 PolarHBondContact O-N 2.89Å; L92-L96 HydrophobicContact CD1-CD1 3.95Å; L92-L96 HydrophobicContact CG-CD1 4.11Å; L92-L96 VanDerWaalsContact O-CD1 3.3Å; L92-L96 WeakPolarHBondContact O-CD1 3.48Å; L92-L96 PolarHBondContact O-N 3.01Å; L92-L96 VanDerWaalsContact O-N 3.07Å; L92-F130 HydrophobicContact CD2-CD2 3.88Å; L92-F130 HydrophobicContact CD2-CE2 4.15Å |
| 93 | T | 64.4 | Low | 68.3 | Low | 21 Ų | 21 | 69.7 Ų | 69.7 | 13% | 0.129 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.3 | -35.1 | 178.9 | 55 | 0 | 0 | 0 | 0 | 112.6 | F89 S90 Q95 A133 | F89-T93 WeakPolarHBondContact O-CG2 3.29Å; F89-T93 PolarHBondContact O-N 2.98Å; F89-T93 PolarHBondContact O-OG1 3.47Å; F89-T93 VanDerWaalsContact O-OG1 3.08Å; S90-T93 PolarHBondContact O-OG1 3.05Å; T93-Q95 VanDerWaalsContact C-N 3.32Å; T93-Q95 PolarHBondContact O-N 3Å; T93-A133 HydrophobicContact CG2-CB 3.68Å |
| 94 | S | 65 | Low | 68.7 | Low | 77 Ų | 77 | 69.9 Ų | 69.9 | 54% | 0.538 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68 | -32.2 | 177.8 | -60.5 | 0 | 0 | 0 | 0 | 112.5 | S90 D91 L92 | S90-S94 VanDerWaalsContact O-CB 3.26Å; S90-S94 WeakPolarHBondContact O-CB 3.38Å; S90-S94 PolarHBondContact O-N 2.79Å; S90-S94 PolarHBondContact O-OG 3.48Å; D91-S94 PolarHBondContact O-N 3.07Å; L92-S94 VanDerWaalsContact C-N 3.34Å; L92-S94 PolarHBondContact O-N 3.12Å |
| 95 | Q | 58.8 | Low | 69.5 | Low | 87 Ų | 87 | 70.4 Ų | 70.4 | 41% | 0.407 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -87.4 | -20 | -179.8 | -70.8 | -178.5 | 86.5 | 0 | 0 | 113.8 | D91 L92 T93 H97 W203 | D91-Q95 WeakPolarHBondContact O-CB 3.39Å; D91-Q95 VanDerWaalsContact O-CG 3.25Å; D91-Q95 WeakPolarHBondContact O-CG 3.23Å; D91-Q95 PolarHBondContact O-N 3.08Å; D91-Q95 VanDerWaalsContact O-N 3.14Å; D91-Q95 PolarHBondContact O-NE2 2.94Å; D91-Q95 VanDerWaalsContact O-NE2 3.13Å; L92-Q95 PolarHBondContact O-N 2.89Å; T93-Q95 VanDerWaalsContact C-N 3.32Å; T93-Q95 PolarHBondContact O-N 3Å; Q95-H97 VanDerWaalsContact C-N 3.33Å; Q95-H97 PolarHBondContact O-CD2 3.28Å; Q95-H97 PolarHBondContact O-N 3.16Å; Q95-W203 VanDerWaalsContact CD-CZ3 3.5Å; Q95-W203 VanDerWaalsContact NE2-CZ3 3.32Å |
| 96 | L | 63.7 | Low | 70.2 | Confident | 17 Ų | 17 | 69.6 Ų | 69.6 | 9% | 0.089 | 37% | 0.365 | C | S | . | . | trans | -68 | 93.9 | 170.3 | -103.2 | 94.5 | 0 | 0 | 0 | 110.6 | L92 I98 V110 F130 L134 | L92-L96 HydrophobicContact CD1-CD1 3.95Å; L92-L96 HydrophobicContact CG-CD1 4.11Å; L92-L96 VanDerWaalsContact O-CD1 3.3Å; L92-L96 WeakPolarHBondContact O-CD1 3.48Å; L92-L96 PolarHBondContact O-N 3.01Å; L92-L96 VanDerWaalsContact O-N 3.07Å; L96-I98 HydrophobicContact CB-CG1 4.19Å; L96-I98 HydrophobicContact CD2-CD1 3.71Å; L96-I98 HydrophobicContact CD2-CG1 3.76Å; L96-I98 HydrophobicContact CG-CG1 4.47Å; L96-I98 PolarHBondContact O-N 3.11Å; L96-V110 HydrophobicContact CD1-CG2 4.38Å; L96-F130 HydrophobicContact CD1-CE2 4.23Å; L96-F130 HydrophobicContact CD2-CE2 4.18Å; L96-F130 HydrophobicContact CD2-CZ 4.08Å; L96-L134 HydrophobicContact CD2-CD2 3.82Å | ||
| 97 | H | 65.1 | Low | 71.1 | Confident | 157 Ų | 157 | 62.5 Ų | 62.5 | 73% | 0.727 | 34% | 0.339 | S | S | * | . | trans | -68.6 | 58.7 | 163.5 | -68.8 | -72 | 0 | 0 | 0 | 111.1 | Q95 T99 T102 | Q95-H97 VanDerWaalsContact C-N 3.33Å; Q95-H97 PolarHBondContact O-CD2 3.28Å; Q95-H97 PolarHBondContact O-N 3.16Å; H97-T99 PolarHBondContact O-N 3.32Å; H97-T102 PolarHBondContact O-OG1 3.43Å | ||
| 98 | I | 67.3 | Low | 72 | Confident | 8 Ų | 8 | 56.1 Ų | 56.1 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | trans | -62 | 125.3 | 170.3 | -74.4 | -175.6 | 0 | 0 | 0 | 108.8 | L96 A103 L134 M143 L146 | L96-I98 HydrophobicContact CB-CG1 4.19Å; L96-I98 HydrophobicContact CD2-CD1 3.71Å; L96-I98 HydrophobicContact CD2-CG1 3.76Å; L96-I98 HydrophobicContact CG-CG1 4.47Å; L96-I98 PolarHBondContact O-N 3.11Å; I98-A103 HydrophobicContact CG2-CB 3.94Å; I98-L134 HydrophobicContact CD1-CB 4.32Å; I98-L134 HydrophobicContact CD1-CD1 3.92Å; I98-L134 HydrophobicContact CD1-CD2 3.75Å; I98-L134 HydrophobicContact CD1-CG 4.19Å; I98-M143 HydrophobicContact CG2-CE 3.88Å; I98-M143 WeakPolarHBondContact O-CE 3.49Å; I98-L146 HydrophobicContact CG2-CD1 3.53Å | ||
| 99 | T | 73.3 | Confident | 72.9 | Confident | 67 Ų | 67 | 61.7 Ų | 61.7 | 41% | 0.411 | 34% | 0.341 | S | S | . | . | trans | -126.2 | 163.3 | 162.5 | 72.8 | 0 | 0 | 0 | 0 | 107.9 | H97 G101 T102 A103 | H97-T99 PolarHBondContact O-N 3.32Å; T99-G101 PolarHBondContact O-N 3.05Å; T99-T102 PolarHBondContact N-OG1 3.18Å; T99-T102 PolarHBondContact O-N 2.88Å; T99-T102 PolarHBondContact O-OG1 2.91Å; T99-T102 PolarHBondContact OG1-N 3.12Å; T99-T102 PolarHBondContact OG1-OG1 3.38Å; T99-A103 WeakPolarHBondContact O-CB 3.05Å; T99-A103 PolarHBondContact O-N 3.49Å | ||
| 100 | P | 75.1 | Confident | 73.7 | Confident | 70 Ų | 70 | 62.8 Ų | 62.8 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -17 | -177.7 | -23.3 | 36 | 0 | 0 | 0 | 115 | M143 L146 | P100-M143 HydrophobicContact CG-CG 4.4Å; P100-M143 HydrophobicContact CG-SD 3.82Å; P100-L146 HydrophobicContact CB-CD2 4.37Å |
| 101 | G | 77.6 | Confident | 74.7 | Confident | 70 Ų | 70 | 59.9 Ų | 59.9 | 72% | 0.722 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -24.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T99 | T99-G101 PolarHBondContact O-N 3.05Š|
| 102 | T | 80.3 | Confident | 75.7 | Confident | 49 Ų | 49 | 59.8 Ų | 59.8 | 30% | 0.301 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -17.5 | -177.3 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | H97 T99 Y104 Q105 S106 | H97-T102 PolarHBondContact O-OG1 3.43Å; T99-T102 PolarHBondContact N-OG1 3.18Å; T99-T102 PolarHBondContact O-N 2.88Å; T99-T102 PolarHBondContact O-OG1 2.91Å; T99-T102 PolarHBondContact OG1-N 3.12Å; T99-T102 PolarHBondContact OG1-OG1 3.38Å; T102-Y104 VanDerWaalsContact C-N 3.33Å; T102-Y104 PolarHBondContact O-N 2.97Å; T102-Y104 VanDerWaalsContact O-N 3.16Å; T102-Q105 PolarHBondContact O-N 2.85Å; T102-Q105 VanDerWaalsContact O-N 3.13Å; T102-S106 PolarHBondContact O-N 3.5Å; T102-S106 PolarHBondContact O-OG 3.07Å |
| 103 | A | 81.8 | Confident | 76.6 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -49.7 | -43.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115 | I98 T99 F107 L146 W153 | I98-A103 HydrophobicContact CG2-CB 3.94Å; T99-A103 WeakPolarHBondContact O-CB 3.05Å; T99-A103 PolarHBondContact O-N 3.49Å; A103-F107 WeakPolarHBondContact O-CB 3.29Å; A103-F107 PolarHBondContact O-N 2.96Å; A103-L146 HydrophobicContact CB-CD1 4.07Å; A103-L146 HydrophobicContact CB-CD2 3.96Å; A103-W153 HydrophobicContact CB-CH2 3.75Å; A103-W153 HydrophobicContact CB-CZ3 3.9Å |
| 104 | Y | 84.9 | Confident | 77.4 | Confident | 109 Ų | 109 | 61.8 Ų | 61.8 | 43% | 0.427 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.2 | -47.2 | -179.7 | 177.9 | -100.4 | 0 | 0 | 0 | 111.9 | T102 S106 F107 E108 W153 | T102-Y104 VanDerWaalsContact C-N 3.33Å; T102-Y104 PolarHBondContact O-N 2.97Å; T102-Y104 VanDerWaalsContact O-N 3.16Å; Y104-S106 PolarHBondContact O-N 2.84Å; Y104-F107 WeakPolarHBondContact O-CB 3.34Å; Y104-F107 PolarHBondContact O-N 3.02Å; Y104-E108 HydrophobicContact CE1-CB 4.45Å; Y104-E108 WeakPolarHBondContact O-CB 3.19Å; Y104-E108 PolarHBondContact O-N 3.26Å; Y104-E108 PolarHBondContact OH-OE1 3.45Å; Y104-W153 AromaticContact CD2-CD1 3.84Å; Y104-W153 AromaticContact CD2-CD2 3.76Å; Y104-W153 HydrophobicContact CD2-CD2 3.76Å; Y104-W153 AromaticContact CD2-CE2 3.61Å; Y104-W153 HydrophobicContact CD2-CE3 4.36Å; Y104-W153 AromaticContact CD2-CG 3.93Å; Y104-W153 HydrophobicContact CD2-CG 3.93Å; Y104-W153 HydrophobicContact CD2-CZ2 4.12Å; Y104-W153 AromaticContact CD2-NE1 3.64Å; Y104-W153 HydrophobicContact CE2-CG 4.28Å; Y104-W153 HydrophobicContact CG-CZ2 4.41Å |
| 105 | Q | 83.8 | Confident | 78.5 | Confident | 130 Ų | 130 | 58.9 Ų | 58.9 | 61% | 0.607 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.5 | -41.9 | 179.4 | -68.4 | 179 | -29.1 | 0 | 0 | 111.4 | T102 F107 E108 Q109 | T102-Q105 PolarHBondContact O-N 2.85Å; T102-Q105 VanDerWaalsContact O-N 3.13Å; Q105-F107 VanDerWaalsContact C-N 3.35Å; Q105-F107 PolarHBondContact O-N 2.81Å; Q105-E108 PolarHBondContact O-N 2.71Å; Q105-Q109 VanDerWaalsContact O-CB 3.31Å; Q105-Q109 WeakPolarHBondContact O-CB 3.39Å; Q105-Q109 PolarHBondContact O-N 3.13Å |
| 106 | S | 80.9 | Confident | 79.9 | Confident | 27 Ų | 27 | 62.6 Ų | 62.6 | 19% | 0.189 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 175.2 | -54.5 | 0 | 0 | 0 | 0 | 112.3 | T102 Y104 V110 | T102-S106 PolarHBondContact O-N 3.5Å; T102-S106 PolarHBondContact O-OG 3.07Å; Y104-S106 PolarHBondContact O-N 2.84Å; S106-V110 VanDerWaalsContact O-CG2 3.29Å; S106-V110 WeakPolarHBondContact O-CG2 3.4Å; S106-V110 PolarHBondContact O-N 3.26Å |
| 107 | F | 85 | Confident | 80.9 | Confident | 5 Ų | 5 | 67.1 Ų | 67.1 | 2% | 0.022 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.4 | -52.6 | 174.1 | 171.8 | -93.4 | 0 | 0 | 0 | 111.4 | A103 Y104 Q105 Q109 V110 V111 F127 F130 L134 W153 M154 | A103-F107 WeakPolarHBondContact O-CB 3.29Å; A103-F107 PolarHBondContact O-N 2.96Å; Y104-F107 WeakPolarHBondContact O-CB 3.34Å; Y104-F107 PolarHBondContact O-N 3.02Å; Q105-F107 VanDerWaalsContact C-N 3.35Å; Q105-F107 PolarHBondContact O-N 2.81Å; F107-Q109 PolarHBondContact O-N 2.9Å; F107-V110 PolarHBondContact O-N 3.38Å; F107-V111 HydrophobicContact CD1-CG2 4.47Å; F107-V111 HydrophobicContact CD2-CG2 4.06Å; F107-V111 HydrophobicContact CE1-CG2 4.24Å; F107-V111 HydrophobicContact CE2-CG2 3.81Å; F107-V111 HydrophobicContact CG-CG2 4.39Å; F107-V111 HydrophobicContact CZ-CG2 3.9Å; F107-V111 WeakPolarHBondContact O-CB 3.35Å; F107-V111 VanDerWaalsContact O-CG2 3.23Å; F107-V111 WeakPolarHBondContact O-CG2 3.45Å; F107-V111 PolarHBondContact O-N 2.83Å; F107-F127 HydrophobicContact CE2-CE2 4.22Å; F107-F127 AromaticContact CZ-CE2 3.83Å; F107-F127 HydrophobicContact CZ-CE2 3.83Å; F107-F127 HydrophobicContact CZ-CZ 4.34Å; F107-F130 AromaticContact CD2-CE1 3.96Å; F107-F130 HydrophobicContact CD2-CE1 3.96Å; F107-L134 HydrophobicContact CD2-CD1 4.16Å; F107-W153 HydrophobicContact CB-CE3 4.26Å; F107-W153 HydrophobicContact CD1-CB 4Å; F107-W153 HydrophobicContact CD1-CE3 4.44Å; F107-W153 HydrophobicContact CE1-CB 3.66Å; F107-W153 HydrophobicContact CG-CE3 4.26Å; F107-W153 HydrophobicContact CZ-CB 4.06Å; F107-M154 HydrophobicContact CE2-CG 3.74Å; F107-M154 HydrophobicContact CZ-CG 3.93Å |
| 108 | E | 85.7 | Confident | 82.1 | Confident | 78 Ų | 78 | 61.2 Ų | 61.2 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.2 | -45.5 | -178.9 | -179.2 | 173.6 | -116.9 | 0 | 0 | 111.9 | Y104 Q105 V111 N112 | Y104-E108 HydrophobicContact CE1-CB 4.45Å; Y104-E108 WeakPolarHBondContact O-CB 3.19Å; Y104-E108 PolarHBondContact O-N 3.26Å; Y104-E108 PolarHBondContact OH-OE1 3.45Å; Q105-E108 PolarHBondContact O-N 2.71Å; E108-V111 PolarHBondContact O-N 3.07Å; E108-N112 VanDerWaalsContact O-CB 3.26Å; E108-N112 WeakPolarHBondContact O-CB 3.41Å; E108-N112 PolarHBondContact O-N 2.9Å; E108-N112 PolarHBondContact O-ND2 3.05Å; E108-N112 VanDerWaalsContact O-ND2 3.16Å |
| 109 | Q | 81.9 | Confident | 83 | Confident | 139 Ų | 139 | 62.4 Ų | 62.4 | 65% | 0.65 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.5 | -50.9 | 177.6 | -176.7 | -179.7 | -6.9 | 0 | 0 | 112.2 | Q105 F107 V111 N112 E113 | Q105-Q109 VanDerWaalsContact O-CB 3.31Å; Q105-Q109 WeakPolarHBondContact O-CB 3.39Å; Q105-Q109 PolarHBondContact O-N 3.13Å; F107-Q109 PolarHBondContact O-N 2.9Å; Q109-V111 VanDerWaalsContact C-N 3.35Å; Q109-V111 PolarHBondContact O-N 3.47Å; Q109-N112 PolarHBondContact O-N 3.03Å; Q109-E113 PolarHBondContact O-N 3.39Å; Q109-E113 VanDerWaalsContact O-N 3.09Å |
| 110 | V | 81.5 | Confident | 83.5 | Confident | 39 Ų | 39 | 61.5 Ų | 61.5 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.9 | -40.2 | -178.3 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | L96 S106 F107 L114 F130 | L96-V110 HydrophobicContact CD1-CG2 4.38Å; S106-V110 VanDerWaalsContact O-CG2 3.29Å; S106-V110 WeakPolarHBondContact O-CG2 3.4Å; S106-V110 PolarHBondContact O-N 3.26Å; F107-V110 PolarHBondContact O-N 3.38Å; V110-L114 VanDerWaalsContact O-CB 3.29Å; V110-L114 WeakPolarHBondContact O-CB 3.29Å; V110-L114 PolarHBondContact O-N 3.41Å; V110-F130 HydrophobicContact CB-CE1 3.97Å; V110-F130 HydrophobicContact CB-CE2 4.29Å; V110-F130 HydrophobicContact CB-CZ 3.63Å; V110-F130 HydrophobicContact CG1-CD1 4.23Å; V110-F130 HydrophobicContact CG1-CD2 4.19Å; V110-F130 HydrophobicContact CG1-CE1 3.75Å; V110-F130 HydrophobicContact CG1-CE2 3.71Å; V110-F130 HydrophobicContact CG1-CG 4.43Å; V110-F130 HydrophobicContact CG1-CZ 3.47Å; V110-F130 VanDerWaalsContact CG1-CZ 3.47Å; V110-F130 HydrophobicContact CG2-CE2 4.43Å; V110-F130 HydrophobicContact CG2-CZ 3.98Å |
| 111 | V | 85.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.4 | -38.4 | -179.3 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | F107 E108 Q109 L114 F115 F127 F130 Y157 | F107-V111 HydrophobicContact CD1-CG2 4.47Å; F107-V111 HydrophobicContact CD2-CG2 4.06Å; F107-V111 HydrophobicContact CE1-CG2 4.24Å; F107-V111 HydrophobicContact CE2-CG2 3.81Å; F107-V111 HydrophobicContact CG-CG2 4.39Å; F107-V111 HydrophobicContact CZ-CG2 3.9Å; F107-V111 WeakPolarHBondContact O-CB 3.35Å; F107-V111 VanDerWaalsContact O-CG2 3.23Å; F107-V111 WeakPolarHBondContact O-CG2 3.45Å; F107-V111 PolarHBondContact O-N 2.83Å; E108-V111 PolarHBondContact O-N 3.07Å; Q109-V111 VanDerWaalsContact C-N 3.35Å; Q109-V111 PolarHBondContact O-N 3.47Å; V111-L114 PolarHBondContact O-N 3.34Å; V111-F115 HydrophobicContact CG1-CD2 3.86Å; V111-F115 HydrophobicContact CG1-CE2 3.97Å; V111-F115 VanDerWaalsContact O-CD2 3.29Å; V111-F115 WeakPolarHBondContact O-CD2 3.42Å; V111-F115 PolarHBondContact O-N 3.44Å; V111-F127 HydrophobicContact CG1-CD2 3.84Å; V111-F127 HydrophobicContact CG1-CE2 3.79Å; V111-F127 HydrophobicContact CG2-CD2 3.83Å; V111-F127 HydrophobicContact CG2-CE2 3.91Å; V111-F130 HydrophobicContact CG2-CD1 4.21Å; V111-F130 HydrophobicContact CG2-CE1 4.08Å; V111-Y157 HydrophobicContact CG1-CD1 3.67Å; V111-Y157 HydrophobicContact CG1-CD2 3.83Å; V111-Y157 HydrophobicContact CG1-CE1 3.39Å; V111-Y157 HydrophobicContact CG1-CE2 3.56Å; V111-Y157 HydrophobicContact CG1-CG 3.9Å |
| 112 | N | 85.4 | Confident | 83.7 | Confident | 80 Ų | 80 | 57.1 Ų | 57.1 | 43% | 0.428 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 174.8 | -75.1 | -25.3 | 0 | 0 | 0 | 112.2 | E108 Q109 F115 R116 | E108-N112 VanDerWaalsContact O-CB 3.26Å; E108-N112 WeakPolarHBondContact O-CB 3.41Å; E108-N112 PolarHBondContact O-N 2.9Å; E108-N112 PolarHBondContact O-ND2 3.05Å; E108-N112 VanDerWaalsContact O-ND2 3.16Å; Q109-N112 PolarHBondContact O-N 3.03Å; N112-F115 PolarHBondContact O-N 2.9Å; N112-R116 PolarHBondContact O-N 3.34Å |
| 113 | E | 80.8 | Confident | 83.9 | Confident | 65 Ų | 65 | 55.9 Ų | 55.9 | 30% | 0.304 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.8 | -42.2 | 175.6 | -166 | 59.9 | -151 | 0 | 0 | 111.4 | Q109 F115 R116 | Q109-E113 PolarHBondContact O-N 3.39Å; Q109-E113 VanDerWaalsContact O-N 3.09Å; E113-F115 PolarHBondContact O-N 3.34Å; E113-F115 VanDerWaalsContact O-N 3.12Å; E113-R116 VanDerWaalsContact O-CB 3.29Å; E113-R116 WeakPolarHBondContact O-CB 3.49Å; E113-R116 PolarHBondContact O-N 3.06Å; E113-R116 VanDerWaalsContact O-N 3.11Å; E113-R116 WeakPolarHBondContact OE1-CD 3.39Å; E113-R116 IonicContact OE1-CZ 3.68Å; E113-R116 IonicContact OE1-NE 3.84Å; E113-R116 IonicContact OE1-NH1 2.74Å; E113-R116 PolarHBondContact OE1-NH1 3.47Å; E113-R116 WeakPolarHBondContact OE2-CD 3.36Å; E113-R116 IonicContact OE2-NH1 3.49Å; E113-R116 PolarHBondContact OE2-NH1 3.33Å |
| 114 | L | 82.2 | Confident | 84 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 12% | 0.12 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -54.4 | -34.4 | 176.9 | 177.1 | 62.4 | 0 | 0 | 0 | 112.8 | V110 V111 R123 A126 F127 V197 | V110-L114 VanDerWaalsContact O-CB 3.29Å; V110-L114 WeakPolarHBondContact O-CB 3.29Å; V110-L114 PolarHBondContact O-N 3.41Å; V111-L114 PolarHBondContact O-N 3.34Å; L114-R123 HydrophobicContact CD1-CB 4.28Å; L114-R123 HydrophobicContact CD1-CG 4.14Å; L114-R123 HydrophobicContact CG-CB 4.4Å; L114-R123 WeakPolarHBondContact O-CD 3.45Å; L114-R123 PolarHBondContact O-NE 3.13Å; L114-R123 VanDerWaalsContact O-NE 3.07Å; L114-A126 HydrophobicContact CD1-CB 4Å; L114-A126 HydrophobicContact CD2-CB 4.22Å; L114-F127 HydrophobicContact CD2-CB 3.89Å; L114-V197 HydrophobicContact CD1-CG1 4.36Å; L114-V197 HydrophobicContact CD1-CG2 4.01Å |
| 115 | F | 86.8 | Confident | 83.9 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 7% | 0.066 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 7.4 | -179.1 | -66.9 | -66.8 | 0 | 0 | 0 | 114.7 | V111 N112 E113 D117 G118 V119 R123 I124 F127 Y157 L162 | V111-F115 HydrophobicContact CG1-CD2 3.86Å; V111-F115 HydrophobicContact CG1-CE2 3.97Å; V111-F115 VanDerWaalsContact O-CD2 3.29Å; V111-F115 WeakPolarHBondContact O-CD2 3.42Å; V111-F115 PolarHBondContact O-N 3.44Å; N112-F115 PolarHBondContact O-N 2.9Å; E113-F115 PolarHBondContact O-N 3.34Å; E113-F115 VanDerWaalsContact O-N 3.12Å; F115-D117 PolarHBondContact O-N 2.73Å; F115-G118 WeakPolarHBondContact O-CA 3.4Å; F115-G118 PolarHBondContact O-N 2.99Å; F115-V119 HydrophobicContact CD1-CB 4.35Å; F115-V119 HydrophobicContact CD1-CG1 4.34Å; F115-V119 HydrophobicContact CD1-CG2 3.99Å; F115-V119 HydrophobicContact CE1-CG1 4.15Å; F115-R123 HydrophobicContact CD1-CB 3.88Å; F115-R123 HydrophobicContact CE1-CB 3.45Å; F115-R123 VanDerWaalsContact CE1-CB 3.45Å; F115-R123 HydrophobicContact CZ-CB 4.25Å; F115-I124 HydrophobicContact CE1-CG1 4.27Å; F115-I124 HydrophobicContact CZ-CG1 4.48Å; F115-F127 HydrophobicContact CE2-CB 3.99Å; F115-F127 HydrophobicContact CE2-CD2 4.01Å; F115-F127 HydrophobicContact CE2-CG 4.16Å; F115-F127 HydrophobicContact CZ-CB 3.86Å; F115-F127 HydrophobicContact CZ-CG 4.34Å; F115-Y157 AromaticContact CD2-CE1 3.68Å; F115-Y157 HydrophobicContact CD2-CE1 3.68Å; F115-Y157 AromaticContact CE2-CE1 3.85Å; F115-Y157 HydrophobicContact CE2-CE1 3.85Å; F115-L162 HydrophobicContact CD1-CD2 4.08Å; F115-L162 HydrophobicContact CD2-CD2 4.23Å; F115-L162 HydrophobicContact CE1-CD2 3.71Å; F115-L162 HydrophobicContact CE2-CD1 4.18Å; F115-L162 HydrophobicContact CE2-CD2 3.9Å; F115-L162 HydrophobicContact CG-CD2 4.33Å; F115-L162 HydrophobicContact CZ-CD1 3.92Å; F115-L162 HydrophobicContact CZ-CD2 3.63Å; F115-L162 HydrophobicContact CZ-CG 4.44Å |
| 116 | R | 88.7 | Confident | 83.8 | Confident | 166 Ų | 166 | 45 Ų | 45 | 63% | 0.626 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53 | -48.4 | -174.8 | -179.7 | 178.1 | 174.6 | -174.4 | 0.5 | 114.2 | N112 E113 G118 | N112-R116 PolarHBondContact O-N 3.34Å; E113-R116 VanDerWaalsContact O-CB 3.29Å; E113-R116 WeakPolarHBondContact O-CB 3.49Å; E113-R116 PolarHBondContact O-N 3.06Å; E113-R116 VanDerWaalsContact O-N 3.11Å; E113-R116 WeakPolarHBondContact OE1-CD 3.39Å; E113-R116 IonicContact OE1-CZ 3.68Å; E113-R116 IonicContact OE1-NE 3.84Å; E113-R116 IonicContact OE1-NH1 2.74Å; E113-R116 PolarHBondContact OE1-NH1 3.47Å; E113-R116 WeakPolarHBondContact OE2-CD 3.36Å; E113-R116 IonicContact OE2-NH1 3.49Å; E113-R116 PolarHBondContact OE2-NH1 3.33Å; R116-G118 PolarHBondContact O-N 2.87Å |
| 117 | D | 85.9 | Confident | 84.1 | Confident | 111 Ų | 111 | 43.7 Ų | 43.7 | 59% | 0.594 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 17.8 | 177.6 | -31 | -75.8 | 0 | 0 | 0 | 113.3 | F115 R123 | F115-D117 PolarHBondContact O-N 2.73Å; D117-R123 IonicContact OD2-CZ 3.6Å; D117-R123 IonicContact OD2-NH1 2.71Å; D117-R123 PolarHBondContact OD2-NH1 2.85Å; D117-R123 IonicContact OD2-NH2 3.56Å; D117-R123 PolarHBondContact OD2-NH2 3.46Å |
| 118 | G | 88.7 | Confident | 84.2 | Confident | 34 Ų | 34 | 46.5 Ų | 46.5 | 35% | 0.351 | 23% | 0.232 | S | C | . | . | trans | 100.2 | 170.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | F115 R116 R123 | F115-G118 WeakPolarHBondContact O-CA 3.4Å; F115-G118 PolarHBondContact O-N 2.99Å; R116-G118 PolarHBondContact O-N 2.87Å; G118-R123 WeakPolarHBondContact O-CD 3.27Å; G118-R123 PolarHBondContact O-NH1 3.36Å | ||
| 119 | V | 87 | Confident | 84 | Confident | 32 Ų | 32 | 43 Ų | 43 | 19% | 0.194 | 22% | 0.216 | C | C | . | . | trans | -87.1 | 139.5 | -175.1 | -175.4 | 0 | 0 | 0 | 0 | 110.8 | F115 I124 L162 W165 | F115-V119 HydrophobicContact CD1-CB 4.35Å; F115-V119 HydrophobicContact CD1-CG1 4.34Å; F115-V119 HydrophobicContact CD1-CG2 3.99Å; F115-V119 HydrophobicContact CE1-CG1 4.15Å; V119-I124 HydrophobicContact CG1-CD1 3.79Å; V119-I124 HydrophobicContact CG1-CG1 3.95Å; V119-L162 HydrophobicContact CG1-CD2 3.9Å; V119-L162 HydrophobicContact CG2-CD2 3.87Å; V119-W165 HydrophobicContact CB-CB 4.16Å; V119-W165 HydrophobicContact CB-CD2 3.8Å; V119-W165 HydrophobicContact CB-CE3 4.38Å; V119-W165 HydrophobicContact CB-CG 3.66Å; V119-W165 HydrophobicContact CG1-CB 4.17Å; V119-W165 HydrophobicContact CG1-CD2 3.51Å; V119-W165 HydrophobicContact CG1-CE3 3.58Å; V119-W165 HydrophobicContact CG1-CG 3.77Å; V119-W165 HydrophobicContact CG1-CZ3 4.28Å; V119-W165 HydrophobicContact CG2-CB 4.49Å; V119-W165 HydrophobicContact CG2-CG 4.45Å; V119-W165 VanDerWaalsContact O-CE2 3.27Å; V119-W165 WeakPolarHBondContact O-CZ2 3.41Å; V119-W165 PolarHBondContact O-NE1 2.91Å | ||
| 120 | N | 83.2 | Confident | 84.1 | Confident | 49 Ų | 49 | 36.6 Ų | 36.6 | 26% | 0.262 | 19% | 0.186 | S | C | . | . | trans | -149.3 | 161.1 | 163.3 | 68.3 | 68.2 | 0 | 0 | 0 | 110.4 | G122 R123 I124 W165 | N120-G122 PolarHBondContact O-N 3.34Å; N120-G122 VanDerWaalsContact O-N 3.15Å; N120-G122 WeakPolarHBondContact OD1-CA 3.39Å; N120-G122 PolarHBondContact OD1-N 2.93Å; N120-R123 WeakPolarHBondContact ND2-CD 3.41Å; N120-R123 PolarHBondContact O-N 3.01Å; N120-R123 PolarHBondContact OD1-N 3.17Å; N120-I124 WeakPolarHBondContact O-CG1 3.39Å; N120-I124 PolarHBondContact O-N 3.28Å; N120-W165 HydrophobicContact CB-CZ2 4.47Å | ||
| 121 | W | 80.5 | Confident | 84.3 | Confident | 38 Ų | 38 | 34.7 Ų | 34.7 | 14% | 0.144 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.9 | -30.2 | -179.3 | -70.4 | 119 | 0 | 0 | 0 | 115.1 | I124 V125 W165 I166 W172 L187 | W121-I124 HydrophobicContact CD2-CD1 4.45Å; W121-I124 HydrophobicContact CE3-CD1 3.81Å; W121-I124 HydrophobicContact CZ3-CD1 4.14Å; W121-V125 WeakPolarHBondContact O-CG2 3.23Å; W121-V125 PolarHBondContact O-N 2.92Å; W121-V125 VanDerWaalsContact O-N 3.11Å; W121-W165 AromaticContact CD1-CH2 3.65Å; W121-W165 HydrophobicContact CD2-CH2 4.14Å; W121-W165 AromaticContact CD2-CZ3 3.8Å; W121-W165 HydrophobicContact CD2-CZ3 3.8Å; W121-W165 AromaticContact CE2-CZ3 3.72Å; W121-W165 HydrophobicContact CE3-CZ3 4.31Å; W121-W165 AromaticContact CG-CH2 3.92Å; W121-W165 HydrophobicContact CG-CH2 3.92Å; W121-W165 HydrophobicContact CG-CZ3 4.05Å; W121-W165 HydrophobicContact CZ2-CZ3 4.19Å; W121-W165 AromaticContact NE1-CH2 3.68Å; W121-W165 AromaticContact NE1-CZ3 3.87Å; W121-I166 HydrophobicContact CH2-CB 4.39Å; W121-I166 HydrophobicContact CH2-CG1 4.1Å; W121-I166 HydrophobicContact CH2-CG2 3.86Å; W121-I166 HydrophobicContact CZ3-CG1 4.13Å; W121-W172 HydrophobicContact CH2-CE3 4.33Å; W121-W172 AromaticContact CZ3-CE3 3.98Å; W121-W172 HydrophobicContact CZ3-CE3 3.98Å; W121-W172 HydrophobicContact CZ3-CH2 4.32Å; W121-W172 AromaticContact CZ3-CZ3 3.77Å; W121-W172 HydrophobicContact CZ3-CZ3 3.77Å; W121-L187 HydrophobicContact CB-CD1 3.26Å; W121-L187 HydrophobicContact CB-CD2 3.98Å; W121-L187 HydrophobicContact CB-CG 4.26Å; W121-L187 HydrophobicContact CG-CD1 4.02Å |
| 122 | G | 77.4 | Confident | 84.3 | Confident | 10 Ų | 10 | 36.3 Ų | 36.3 | 10% | 0.103 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.6 | -44.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N120 I124 V125 A126 | N120-G122 PolarHBondContact O-N 3.34Å; N120-G122 VanDerWaalsContact O-N 3.15Å; N120-G122 WeakPolarHBondContact OD1-CA 3.39Å; N120-G122 PolarHBondContact OD1-N 2.93Å; G122-I124 VanDerWaalsContact C-N 3.34Å; G122-V125 PolarHBondContact O-N 3.22Å; G122-A126 PolarHBondContact O-N 3.35Å |
| 123 | R | 84.3 | Confident | 84.1 | Confident | 23 Ų | 23 | 33.5 Ų | 33.5 | 9% | 0.087 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.7 | -35.7 | 173.2 | -69.7 | 175.1 | 164.2 | -172.5 | -9 | 112.1 | L114 F115 D117 G118 N120 A126 F127 | L114-R123 HydrophobicContact CD1-CB 4.28Å; L114-R123 HydrophobicContact CD1-CG 4.14Å; L114-R123 HydrophobicContact CG-CB 4.4Å; L114-R123 WeakPolarHBondContact O-CD 3.45Å; L114-R123 PolarHBondContact O-NE 3.13Å; L114-R123 VanDerWaalsContact O-NE 3.07Å; F115-R123 HydrophobicContact CD1-CB 3.88Å; F115-R123 HydrophobicContact CE1-CB 3.45Å; F115-R123 VanDerWaalsContact CE1-CB 3.45Å; F115-R123 HydrophobicContact CZ-CB 4.25Å; D117-R123 IonicContact OD2-CZ 3.6Å; D117-R123 IonicContact OD2-NH1 2.71Å; D117-R123 PolarHBondContact OD2-NH1 2.85Å; D117-R123 IonicContact OD2-NH2 3.56Å; D117-R123 PolarHBondContact OD2-NH2 3.46Å; G118-R123 WeakPolarHBondContact O-CD 3.27Å; G118-R123 PolarHBondContact O-NH1 3.36Å; N120-R123 WeakPolarHBondContact ND2-CD 3.41Å; N120-R123 PolarHBondContact O-N 3.01Å; N120-R123 PolarHBondContact OD1-N 3.17Å; R123-A126 WeakPolarHBondContact O-CB 3.38Å; R123-A126 PolarHBondContact O-N 3.24Å; R123-F127 WeakPolarHBondContact O-CB 3.41Å; R123-F127 PolarHBondContact O-N 3.49Å |
| 124 | I | 84.5 | Confident | 84.2 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 173.1 | -66.4 | 168.8 | 0 | 0 | 0 | 111.4 | F115 V119 N120 W121 G122 F127 F128 L162 W165 I166 W172 | F115-I124 HydrophobicContact CE1-CG1 4.27Å; F115-I124 HydrophobicContact CZ-CG1 4.48Å; V119-I124 HydrophobicContact CG1-CD1 3.79Å; V119-I124 HydrophobicContact CG1-CG1 3.95Å; N120-I124 WeakPolarHBondContact O-CG1 3.39Å; N120-I124 PolarHBondContact O-N 3.28Å; W121-I124 HydrophobicContact CD2-CD1 4.45Å; W121-I124 HydrophobicContact CE3-CD1 3.81Å; W121-I124 HydrophobicContact CZ3-CD1 4.14Å; G122-I124 VanDerWaalsContact C-N 3.34Å; I124-F127 WeakPolarHBondContact O-CB 3.37Å; I124-F127 PolarHBondContact O-N 3.27Å; I124-F128 HydrophobicContact CG2-CD2 4.11Å; I124-F128 HydrophobicContact CG2-CE2 3.87Å; I124-F128 WeakPolarHBondContact O-CD2 3.4Å; I124-F128 PolarHBondContact O-N 2.89Å; I124-L162 HydrophobicContact CG1-CD1 4.46Å; I124-W165 HydrophobicContact CD1-CE3 3.77Å; I124-W165 HydrophobicContact CD1-CZ3 3.65Å; I124-I166 HydrophobicContact CD1-CD1 4.19Å; I124-I166 HydrophobicContact CD1-CG1 3.82Å; I124-W172 HydrophobicContact CG2-CH2 4.06Å |
| 125 | V | 82.1 | Confident | 84.4 | Confident | 8 Ų | 8 | 29.9 Ų | 29.9 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 173.6 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | A77 F81 W121 G122 F127 F128 S129 F184 | A77-V125 HydrophobicContact CB-CG1 4.08Å; A77-V125 HydrophobicContact CB-CG2 3.86Å; F81-V125 HydrophobicContact CB-CG1 3.85Å; F81-V125 HydrophobicContact CD1-CG1 4.44Å; F81-V125 HydrophobicContact CD2-CG1 4.17Å; F81-V125 HydrophobicContact CG-CG1 3.92Å; W121-V125 WeakPolarHBondContact O-CG2 3.23Å; W121-V125 PolarHBondContact O-N 2.92Å; W121-V125 VanDerWaalsContact O-N 3.11Å; G122-V125 PolarHBondContact O-N 3.22Å; V125-F127 VanDerWaalsContact C-N 3.29Å; V125-F127 PolarHBondContact O-N 3.19Å; V125-F128 PolarHBondContact O-N 3.32Å; V125-F128 VanDerWaalsContact O-N 3.14Å; V125-S129 PolarHBondContact O-N 2.89Å; V125-F184 HydrophobicContact CG2-CD1 4.28Å; V125-F184 HydrophobicContact CG2-CE1 3.47Å; V125-F184 VanDerWaalsContact CG2-CE1 3.47Å; V125-F184 HydrophobicContact CG2-CZ 4.13Å |
| 126 | A | 80.9 | Confident | 84.3 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.5 | -41.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F81 L114 G122 R123 S129 F130 V197 | F81-A126 HydrophobicContact CE1-CB 3.84Å; F81-A126 HydrophobicContact CE2-CB 4.09Å; F81-A126 HydrophobicContact CZ-CB 3.38Å; L114-A126 HydrophobicContact CD1-CB 4Å; L114-A126 HydrophobicContact CD2-CB 4.22Å; G122-A126 PolarHBondContact O-N 3.35Å; R123-A126 WeakPolarHBondContact O-CB 3.38Å; R123-A126 PolarHBondContact O-N 3.24Å; A126-S129 PolarHBondContact O-N 2.9Å; A126-F130 VanDerWaalsContact O-CB 3.29Å; A126-F130 WeakPolarHBondContact O-CB 3.37Å; A126-F130 PolarHBondContact O-N 3.43Å; A126-V197 HydrophobicContact CB-CG1 4.06Å |
| 127 | F | 87.5 | Confident | 84 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 174.4 | 168.8 | -100.5 | 0 | 0 | 0 | 112.5 | F107 V111 L114 F115 R123 I124 V125 F130 G131 M154 Y157 L162 | F107-F127 HydrophobicContact CE2-CE2 4.22Å; F107-F127 AromaticContact CZ-CE2 3.83Å; F107-F127 HydrophobicContact CZ-CE2 3.83Å; F107-F127 HydrophobicContact CZ-CZ 4.34Å; V111-F127 HydrophobicContact CG1-CD2 3.84Å; V111-F127 HydrophobicContact CG1-CE2 3.79Å; V111-F127 HydrophobicContact CG2-CD2 3.83Å; V111-F127 HydrophobicContact CG2-CE2 3.91Å; L114-F127 HydrophobicContact CD2-CB 3.89Å; F115-F127 HydrophobicContact CE2-CB 3.99Å; F115-F127 HydrophobicContact CE2-CD2 4.01Å; F115-F127 HydrophobicContact CE2-CG 4.16Å; F115-F127 HydrophobicContact CZ-CB 3.86Å; F115-F127 HydrophobicContact CZ-CG 4.34Å; R123-F127 WeakPolarHBondContact O-CB 3.41Å; R123-F127 PolarHBondContact O-N 3.49Å; I124-F127 WeakPolarHBondContact O-CB 3.37Å; I124-F127 PolarHBondContact O-N 3.27Å; V125-F127 VanDerWaalsContact C-N 3.29Å; V125-F127 PolarHBondContact O-N 3.19Å; F127-F130 PolarHBondContact O-N 3Å; F127-G131 PolarHBondContact O-N 2.92Å; F127-M154 HydrophobicContact CD1-CE 4.25Å; F127-M154 HydrophobicContact CE1-CB 4.3Å; F127-M154 HydrophobicContact CE1-CE 4.06Å; F127-M154 HydrophobicContact CZ-CB 3.95Å; F127-M154 HydrophobicContact CZ-CE 4.43Å; F127-M154 HydrophobicContact CZ-CG 4.07Å; F127-M154 WeakPolarHBondContact O-CE 3.41Å; F127-Y157 AromaticContact CE2-CD1 3.89Å; F127-Y157 HydrophobicContact CE2-CD1 3.89Å; F127-Y157 HydrophobicContact CE2-CG 4.25Å; F127-Y157 HydrophobicContact CZ-CD1 4.1Å; F127-Y157 HydrophobicContact CZ-CG 4.44Å; F127-L162 HydrophobicContact CD1-CD1 4.06Å; F127-L162 HydrophobicContact CE1-CD1 4.09Å; F127-L162 HydrophobicContact CG-CD1 4.46Å; F127-L162 HydrophobicContact CZ-CD1 4.49Å |
| 128 | F | 86.8 | Confident | 84 | Confident | 64 Ų | 64 | 18.7 Ų | 18.7 | 28% | 0.281 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -64.7 | -43.8 | 175.9 | -79.5 | -68 | 0 | 0 | 0 | 113 | L74 I124 V125 G132 M154 L158 W172 | L74-F128 HydrophobicContact CD1-CE2 4.08Å; L74-F128 HydrophobicContact CD1-CZ 4.17Å; L74-F128 HydrophobicContact CD2-CD2 3.79Å; L74-F128 HydrophobicContact CD2-CE2 3.88Å; I124-F128 HydrophobicContact CG2-CD2 4.11Å; I124-F128 HydrophobicContact CG2-CE2 3.87Å; I124-F128 WeakPolarHBondContact O-CD2 3.4Å; I124-F128 PolarHBondContact O-N 2.89Å; V125-F128 PolarHBondContact O-N 3.32Å; V125-F128 VanDerWaalsContact O-N 3.14Å; F128-G132 PolarHBondContact O-N 3.47Å; F128-M154 HydrophobicContact CD1-CE 3.98Å; F128-L158 HydrophobicContact CE1-CD1 4.27Å; F128-L158 HydrophobicContact CE2-CD1 4.31Å; F128-L158 HydrophobicContact CZ-CD1 3.51Å; F128-W172 HydrophobicContact CE2-CH2 4.01Å; F128-W172 HydrophobicContact CZ-CH2 4.39Å |
| 129 | S | 82.9 | Confident | 83.9 | Confident | 4 Ų | 4 | 17.5 Ų | 17.5 | 3% | 0.028 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 175.3 | -73.9 | 0 | 0 | 0 | 0 | 112 | V125 A126 G132 A133 | V125-S129 PolarHBondContact O-N 2.89Å; A126-S129 PolarHBondContact O-N 2.9Å; S129-G132 PolarHBondContact O-N 2.93Å; S129-A133 WeakPolarHBondContact O-CB 3.39Å; S129-A133 PolarHBondContact O-N 3.01Å |
| 130 | F | 83.6 | Confident | 83.8 | Confident | 5 Ų | 5 | 19.7 Ų | 19.7 | 2% | 0.022 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.2 | -57.3 | 177 | 172.7 | -114.6 | 0 | 0 | 0 | 111.8 | F89 L92 L96 F107 V110 V111 A126 F127 G132 A133 L134 | F89-F130 HydrophobicContact CE1-CB 4.24Å; L92-F130 HydrophobicContact CD2-CD2 3.88Å; L92-F130 HydrophobicContact CD2-CE2 4.15Å; L96-F130 HydrophobicContact CD1-CE2 4.23Å; L96-F130 HydrophobicContact CD2-CE2 4.18Å; L96-F130 HydrophobicContact CD2-CZ 4.08Å; F107-F130 AromaticContact CD2-CE1 3.96Å; F107-F130 HydrophobicContact CD2-CE1 3.96Å; V110-F130 HydrophobicContact CB-CE1 3.97Å; V110-F130 HydrophobicContact CB-CE2 4.29Å; V110-F130 HydrophobicContact CB-CZ 3.63Å; V110-F130 HydrophobicContact CG1-CD1 4.23Å; V110-F130 HydrophobicContact CG1-CD2 4.19Å; V110-F130 HydrophobicContact CG1-CE1 3.75Å; V110-F130 HydrophobicContact CG1-CE2 3.71Å; V110-F130 HydrophobicContact CG1-CG 4.43Å; V110-F130 HydrophobicContact CG1-CZ 3.47Å; V110-F130 VanDerWaalsContact CG1-CZ 3.47Å; V110-F130 HydrophobicContact CG2-CE2 4.43Å; V110-F130 HydrophobicContact CG2-CZ 3.98Å; V111-F130 HydrophobicContact CG2-CD1 4.21Å; V111-F130 HydrophobicContact CG2-CE1 4.08Å; A126-F130 VanDerWaalsContact O-CB 3.29Å; A126-F130 WeakPolarHBondContact O-CB 3.37Å; A126-F130 PolarHBondContact O-N 3.43Å; F127-F130 PolarHBondContact O-N 3Å; F130-G132 VanDerWaalsContact C-N 3.29Å; F130-G132 PolarHBondContact O-N 3.28Å; F130-A133 WeakPolarHBondContact O-CA 3.44Å; F130-A133 WeakPolarHBondContact O-CB 3.46Å; F130-A133 PolarHBondContact O-N 3.35Å; F130-L134 HydrophobicContact CD1-CD1 4.42Å; F130-L134 HydrophobicContact CD2-CD2 4.13Å; F130-L134 HydrophobicContact CD2-CG 4.38Å; F130-L134 HydrophobicContact CE1-CD1 3.78Å; F130-L134 HydrophobicContact CE1-CG 4.28Å; F130-L134 HydrophobicContact CE2-CD1 4.25Å; F130-L134 HydrophobicContact CE2-CD2 3.62Å; F130-L134 HydrophobicContact CE2-CG 4.08Å; F130-L134 HydrophobicContact CZ-CD1 3.68Å; F130-L134 HydrophobicContact CZ-CD2 3.91Å; F130-L134 HydrophobicContact CZ-CG 4.03Å; F130-L134 WeakPolarHBondContact O-CG 3.39Å; F130-L134 PolarHBondContact O-N 3.43Å |
| 131 | G | 86 | Confident | 83.9 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.8 | -32.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F127 A133 L134 C135 M154 | F127-G131 PolarHBondContact O-N 2.92Å; G131-A133 VanDerWaalsContact C-N 3.33Å; G131-A133 PolarHBondContact O-N 3.14Å; G131-L134 PolarHBondContact O-N 2.96Å; G131-C135 PolarHBondContact O-N 2.99Å; G131-C135 PolarHBondContact O-SG 3.27Å; G131-C135 VanDerWaalsContact O-SG 3.33Å; G131-M154 VanDerWaalsContact CA-SD 3.57Å |
| 132 | G | 85.6 | Confident | 84.1 | Confident | 33 Ų | 33 | 27.9 Ų | 27.9 | 34% | 0.34 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60.7 | -39.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F128 S129 F130 V136 | F128-G132 PolarHBondContact O-N 3.47Å; S129-G132 PolarHBondContact O-N 2.93Å; F130-G132 VanDerWaalsContact C-N 3.29Å; F130-G132 PolarHBondContact O-N 3.28Å; G132-V136 PolarHBondContact O-N 2.97Å |
| 133 | A | 80.6 | Confident | 84.5 | Confident | 22 Ų | 22 | 29 Ų | 29 | 18% | 0.182 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70.4 | -41.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T93 S129 F130 G131 C135 V136 E137 | T93-A133 HydrophobicContact CG2-CB 3.68Å; S129-A133 WeakPolarHBondContact O-CB 3.39Å; S129-A133 PolarHBondContact O-N 3.01Å; F130-A133 WeakPolarHBondContact O-CA 3.44Å; F130-A133 WeakPolarHBondContact O-CB 3.46Å; F130-A133 PolarHBondContact O-N 3.35Å; G131-A133 VanDerWaalsContact C-N 3.33Å; G131-A133 PolarHBondContact O-N 3.14Å; A133-C135 VanDerWaalsContact C-N 3.28Å; A133-C135 PolarHBondContact O-N 3.47Å; A133-V136 PolarHBondContact O-N 3.11Å; A133-E137 WeakPolarHBondContact O-CB 3.48Å; A133-E137 PolarHBondContact O-N 3.23Å |
| 134 | L | 82.4 | Confident | 84.6 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.3 | -38.6 | 174.2 | -58.6 | -162.6 | 0 | 0 | 0 | 112.3 | L96 I98 F107 F130 G131 V136 S138 I150 | L96-L134 HydrophobicContact CD2-CD2 3.82Å; I98-L134 HydrophobicContact CD1-CB 4.32Å; I98-L134 HydrophobicContact CD1-CD1 3.92Å; I98-L134 HydrophobicContact CD1-CD2 3.75Å; I98-L134 HydrophobicContact CD1-CG 4.19Å; F107-L134 HydrophobicContact CD2-CD1 4.16Å; F130-L134 HydrophobicContact CD1-CD1 4.42Å; F130-L134 HydrophobicContact CD2-CD2 4.13Å; F130-L134 HydrophobicContact CD2-CG 4.38Å; F130-L134 HydrophobicContact CE1-CD1 3.78Å; F130-L134 HydrophobicContact CE1-CG 4.28Å; F130-L134 HydrophobicContact CE2-CD1 4.25Å; F130-L134 HydrophobicContact CE2-CD2 3.62Å; F130-L134 HydrophobicContact CE2-CG 4.08Å; F130-L134 HydrophobicContact CZ-CD1 3.68Å; F130-L134 HydrophobicContact CZ-CD2 3.91Å; F130-L134 HydrophobicContact CZ-CG 4.03Å; F130-L134 WeakPolarHBondContact O-CG 3.39Å; F130-L134 PolarHBondContact O-N 3.43Å; G131-L134 PolarHBondContact O-N 2.96Å; L134-V136 VanDerWaalsContact C-N 3.34Å; L134-S138 VanDerWaalsContact O-CB 3.27Å; L134-S138 WeakPolarHBondContact O-CB 3.44Å; L134-S138 PolarHBondContact O-N 3.46Å; L134-S138 PolarHBondContact O-OG 2.78Å; L134-I150 HydrophobicContact CB-CD1 3.76Å; L134-I150 HydrophobicContact CB-CG1 4.48Å; L134-I150 HydrophobicContact CB-CG2 4.29Å |
| 135 | C | 86.5 | Confident | 84.6 | Confident | 9 Ų | 9 | 35.7 Ų | 35.7 | 6% | 0.061 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.9 | -37.5 | 174.5 | -74.9 | 0 | 0 | 0 | 0 | 112.4 | L1 G131 A133 V139 V147 | L1-C135 HydrophobicContact CD1-CB 4.3Å; L1-C135 HydrophobicContact CG-CB 4.36Å; G131-C135 PolarHBondContact O-N 2.99Å; G131-C135 PolarHBondContact O-SG 3.27Å; G131-C135 VanDerWaalsContact O-SG 3.33Å; A133-C135 VanDerWaalsContact C-N 3.28Å; A133-C135 PolarHBondContact O-N 3.47Å; C135-V139 WeakPolarHBondContact O-CG2 3.38Å; C135-V139 PolarHBondContact O-N 3.14Å; C135-V147 HydrophobicContact CB-CG1 4.35Å |
| 136 | V | 84.9 | Confident | 84.8 | Confident | 20 Ų | 20 | 35.3 Ų | 35.3 | 12% | 0.121 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.2 | -49.3 | 175.5 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | L1 K4 G132 A133 L134 S138 V139 D140 | L1-V136 HydrophobicContact CD2-CG2 4.37Å; K4-V136 HydrophobicContact CD-CG1 4.15Å; K4-V136 HydrophobicContact CG-CG1 4.07Å; K4-V136 HydrophobicContact CG-CG2 4.27Å; G132-V136 PolarHBondContact O-N 2.97Å; A133-V136 PolarHBondContact O-N 3.11Å; L134-V136 VanDerWaalsContact C-N 3.34Å; V136-S138 PolarHBondContact O-N 3.34Å; V136-V139 PolarHBondContact O-N 2.69Å; V136-D140 PolarHBondContact O-N 3.24Å |
| 137 | E | 83.2 | Confident | 85 | Confident | 37 Ų | 37 | 35.2 Ų | 35.2 | 17% | 0.173 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57 | -38.3 | 178 | -171.6 | 62.7 | -154.8 | 0 | 0 | 112.2 | A133 D140 K141 | A133-E137 WeakPolarHBondContact O-CB 3.48Å; A133-E137 PolarHBondContact O-N 3.23Å; E137-D140 PolarHBondContact O-N 3.17Å; E137-K141 HydrophobicContact CG-CD 4.27Å; E137-K141 WeakPolarHBondContact O-CB 3.47Å; E137-K141 PolarHBondContact O-N 3.28Å; E137-K141 WeakPolarHBondContact OE1-CD 3.25Å; E137-K141 WeakPolarHBondContact OE1-CE 3.48Å; E137-K141 IonicContact OE1-NZ 2.63Å; E137-K141 PolarHBondContact OE1-NZ 3.36Å |
| 138 | S | 85.4 | Confident | 84.8 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.7 | -34.4 | 175.8 | -61.7 | 0 | 0 | 0 | 0 | 112.9 | L134 V136 E142 M143 I150 | L134-S138 VanDerWaalsContact O-CB 3.27Å; L134-S138 WeakPolarHBondContact O-CB 3.44Å; L134-S138 PolarHBondContact O-N 3.46Å; L134-S138 PolarHBondContact O-OG 2.78Å; V136-S138 PolarHBondContact O-N 3.34Å; S138-E142 PolarHBondContact O-N 3.38Å; S138-M143 CarbonylContact O-C 3.53Å; S138-M143 WeakPolarHBondContact O-CA 3.35Å; S138-M143 PolarHBondContact O-N 2.89Å; S138-I150 WeakPolarHBondContact OG-CD1 3.47Å |
| 139 | V | 86.1 | Confident | 84.8 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -75.6 | -43 | 174.9 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | L1 Y6 F11 C135 V136 K141 E142 V147 | L1-V139 HydrophobicContact CD2-CB 4.48Å; L1-V139 HydrophobicContact CD2-CG2 3.78Å; Y6-V139 HydrophobicContact CD1-CG1 3.72Å; Y6-V139 HydrophobicContact CD2-CG1 4.04Å; Y6-V139 HydrophobicContact CE1-CG1 3.45Å; Y6-V139 VanDerWaalsContact CE1-CG1 3.45Å; Y6-V139 HydrophobicContact CE2-CG1 3.8Å; Y6-V139 HydrophobicContact CG-CG1 4.02Å; Y6-V139 VanDerWaalsContact CZ-CG1 3.5Å; F11-V139 HydrophobicContact CE1-CG2 3.91Å; F11-V139 HydrophobicContact CE2-CG2 4.31Å; F11-V139 HydrophobicContact CZ-CG1 4.46Å; F11-V139 HydrophobicContact CZ-CG2 3.66Å; C135-V139 WeakPolarHBondContact O-CG2 3.38Å; C135-V139 PolarHBondContact O-N 3.14Å; V136-V139 PolarHBondContact O-N 2.69Å; V139-K141 PolarHBondContact O-N 2.86Å; V139-E142 PolarHBondContact O-N 3.08Å; V139-V147 HydrophobicContact CG2-CG2 3.64Å |
| 140 | D | 85.1 | Confident | 84.9 | Confident | 78 Ų | 78 | 38 Ų | 38 | 42% | 0.417 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.6 | -27 | 178.9 | -69.2 | -7.8 | 0 | 0 | 0 | 111.4 | K4 V136 E137 | K4-D140 IonicContact NZ-OD2 3.98Å; V136-D140 PolarHBondContact O-N 3.24Å; E137-D140 PolarHBondContact O-N 3.17Å |
| 141 | K | 84.6 | Confident | 85 | Confident | 85 Ų | 85 | 39.2 Ų | 39.2 | 37% | 0.37 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 14.1 | 172.6 | -72.6 | 171.8 | 167.3 | 150 | 0 | 115 | E137 V139 M143 | E137-K141 HydrophobicContact CG-CD 4.27Å; E137-K141 WeakPolarHBondContact O-CB 3.47Å; E137-K141 PolarHBondContact O-N 3.28Å; E137-K141 WeakPolarHBondContact OE1-CD 3.25Å; E137-K141 WeakPolarHBondContact OE1-CE 3.48Å; E137-K141 IonicContact OE1-NZ 2.63Å; E137-K141 PolarHBondContact OE1-NZ 3.36Å; V139-K141 PolarHBondContact O-N 2.86Å; K141-M143 HydrophobicContact CB-CE 3.75Å; K141-M143 HydrophobicContact CB-CG 4.45Å; K141-M143 HydrophobicContact CD-CE 3.83Å; K141-M143 HydrophobicContact CG-CE 4.44Å; K141-M143 PolarHBondContact O-N 2.99Å |
| 142 | E | 86.3 | Confident | 84.9 | Confident | 174 Ų | 174 | 41.3 Ų | 41.3 | 81% | 0.813 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 8.7 | -178.5 | -56.6 | -176.2 | -175.9 | 0 | 0 | 116 | S138 V139 Q144 | S138-E142 PolarHBondContact O-N 3.38Å; V139-E142 PolarHBondContact O-N 3.08Å; E142-Q144 VanDerWaalsContact C-N 3.26Å; E142-Q144 PolarHBondContact O-N 2.71Å; E142-Q144 VanDerWaalsContact O-N 3.07Å |
| 143 | M | 85.9 | Confident | 85.2 | Confident | 34 Ų | 34 | 41.9 Ų | 41.9 | 17% | 0.167 | 21% | 0.213 | C | C | . | . | trans | -86.1 | 48.3 | 179.2 | -61.7 | -173.3 | -67.3 | 0 | 0 | 112.8 | I98 P100 S138 K141 V145 L146 | I98-M143 HydrophobicContact CG2-CE 3.88Å; I98-M143 WeakPolarHBondContact O-CE 3.49Å; P100-M143 HydrophobicContact CG-CG 4.4Å; P100-M143 HydrophobicContact CG-SD 3.82Å; S138-M143 CarbonylContact O-C 3.53Å; S138-M143 WeakPolarHBondContact O-CA 3.35Å; S138-M143 PolarHBondContact O-N 2.89Å; K141-M143 HydrophobicContact CB-CE 3.75Å; K141-M143 HydrophobicContact CB-CG 4.45Å; K141-M143 HydrophobicContact CD-CE 3.83Å; K141-M143 HydrophobicContact CG-CE 4.44Å; K141-M143 PolarHBondContact O-N 2.99Å; M143-V145 PolarHBondContact O-N 3.31Å; M143-L146 HydrophobicContact CB-CD1 3.98Å; M143-L146 HydrophobicContact CB-CG 4.26Å; M143-L146 HydrophobicContact CE-CD1 4.07Å; M143-L146 WeakPolarHBondContact O-CB 3.41Å; M143-L146 PolarHBondContact O-N 2.85Å; M143-L146 HydrophobicContact SD-CD1 3.98Å | ||
| 144 | Q | 84.9 | Confident | 85.6 | Confident | 96 Ų | 96 | 41.9 Ų | 41.9 | 45% | 0.449 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -29.3 | -170.5 | -60.4 | -179.5 | 17.5 | 0 | 0 | 114.2 | F11 E142 L146 V147 | F11-Q144 HydrophobicContact CD1-CB 3.99Å; F11-Q144 HydrophobicContact CD1-CG 4.44Å; F11-Q144 HydrophobicContact CE1-CB 3.97Å; F11-Q144 HydrophobicContact CE1-CG 3.9Å; E142-Q144 VanDerWaalsContact C-N 3.26Å; E142-Q144 PolarHBondContact O-N 2.71Å; E142-Q144 VanDerWaalsContact O-N 3.07Å; Q144-L146 PolarHBondContact O-N 3.26Å; Q144-L146 VanDerWaalsContact O-N 3.13Å; Q144-V147 WeakPolarHBondContact O-CB 3.22Å; Q144-V147 WeakPolarHBondContact O-CG2 3.35Å; Q144-V147 PolarHBondContact O-N 3.09Å |
| 145 | V | 85.1 | Confident | 85.6 | Confident | 67 Ų | 67 | 44.1 Ų | 44.1 | 41% | 0.406 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.4 | -19 | 173.9 | 69.4 | 0 | 0 | 0 | 0 | 114.2 | M143 S148 R149 | M143-V145 PolarHBondContact O-N 3.31Å; V145-S148 PolarHBondContact O-OG 3.11Å; V145-R149 WeakPolarHBondContact O-CG 3.48Å |
| 146 | L | 85.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -78.4 | -23.2 | 174.8 | -67.8 | -177.3 | 0 | 0 | 0 | 113 | I98 P100 A103 M143 Q144 S148 R149 I150 | I98-L146 HydrophobicContact CG2-CD1 3.53Å; P100-L146 HydrophobicContact CB-CD2 4.37Å; A103-L146 HydrophobicContact CB-CD1 4.07Å; A103-L146 HydrophobicContact CB-CD2 3.96Å; M143-L146 HydrophobicContact CB-CD1 3.98Å; M143-L146 HydrophobicContact CB-CG 4.26Å; M143-L146 HydrophobicContact CE-CD1 4.07Å; M143-L146 WeakPolarHBondContact O-CB 3.41Å; M143-L146 PolarHBondContact O-N 2.85Å; M143-L146 HydrophobicContact SD-CD1 3.98Å; Q144-L146 PolarHBondContact O-N 3.26Å; Q144-L146 VanDerWaalsContact O-N 3.13Å; L146-S148 PolarHBondContact O-N 3.22Å; L146-R149 PolarHBondContact O-N 3Å; L146-I150 HydrophobicContact CB-CD1 4.09Å; L146-I150 WeakPolarHBondContact O-CB 3.09Å; L146-I150 WeakPolarHBondContact O-CD1 3.32Å; L146-I150 WeakPolarHBondContact O-CG1 3.15Å; L146-I150 PolarHBondContact O-N 2.92Å |
| 147 | V | 86.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.9 | -46.4 | -175.8 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | L1 W8 F11 C135 V139 Q144 A151 | L1-V147 HydrophobicContact CD1-CG1 3.76Å; W8-V147 HydrophobicContact CE3-CG1 4.29Å; W8-V147 HydrophobicContact CH2-CG1 4.01Å; W8-V147 HydrophobicContact CZ3-CG1 3.49Å; W8-V147 VanDerWaalsContact CZ3-CG1 3.49Å; F11-V147 HydrophobicContact CB-CB 4.11Å; F11-V147 HydrophobicContact CB-CG1 3.87Å; F11-V147 HydrophobicContact CD1-CB 4.45Å; F11-V147 HydrophobicContact CD1-CG2 4.39Å; F11-V147 HydrophobicContact CD2-CG1 3.95Å; F11-V147 HydrophobicContact CG-CB 4.14Å; F11-V147 HydrophobicContact CG-CG1 3.88Å; F11-V147 HydrophobicContact CG-CG2 4.43Å; C135-V147 HydrophobicContact CB-CG1 4.35Å; V139-V147 HydrophobicContact CG2-CG2 3.64Å; Q144-V147 WeakPolarHBondContact O-CB 3.22Å; Q144-V147 WeakPolarHBondContact O-CG2 3.35Å; Q144-V147 PolarHBondContact O-N 3.09Å; V147-A151 PolarHBondContact O-N 3.08Å |
| 148 | S | 82.3 | Confident | 85.7 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.2 | -42.7 | 175.6 | 51.4 | 0 | 0 | 0 | 0 | 111.9 | V145 L146 I150 A151 S152 | V145-S148 PolarHBondContact O-OG 3.11Å; L146-S148 PolarHBondContact O-N 3.22Å; S148-I150 PolarHBondContact O-N 3.23Å; S148-A151 PolarHBondContact O-N 2.81Å; S148-S152 WeakPolarHBondContact O-CB 3.43Å; S148-S152 PolarHBondContact O-N 3.17Å |
| 149 | R | 86.6 | Confident | 85.5 | Confident | 112 Ų | 112 | 51.4 Ų | 51.4 | 42% | 0.423 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 177.1 | -67.4 | 179.7 | 179.7 | -171.7 | -0.2 | 112.6 | V145 L146 A151 S152 W153 | V145-R149 WeakPolarHBondContact O-CG 3.48Å; L146-R149 PolarHBondContact O-N 3Å; R149-A151 PolarHBondContact O-N 3.32Å; R149-S152 WeakPolarHBondContact O-CB 3.45Å; R149-S152 PolarHBondContact O-N 3.04Å; R149-W153 HydrophobicContact CB-CH2 4.02Å; R149-W153 HydrophobicContact CB-CZ2 3.73Å; R149-W153 HydrophobicContact CG-CZ2 4.48Å; R149-W153 PolarHBondContact O-N 3.45Å |
| 150 | I | 85.9 | Confident | 85.7 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60 | -46.6 | 176.8 | -69.2 | 158.2 | 0 | 0 | 0 | 110.1 | L134 S138 L146 S148 S152 W153 M154 | L134-I150 HydrophobicContact CB-CD1 3.76Å; L134-I150 HydrophobicContact CB-CG1 4.48Å; L134-I150 HydrophobicContact CB-CG2 4.29Å; S138-I150 WeakPolarHBondContact OG-CD1 3.47Å; L146-I150 HydrophobicContact CB-CD1 4.09Å; L146-I150 WeakPolarHBondContact O-CB 3.09Å; L146-I150 WeakPolarHBondContact O-CD1 3.32Å; L146-I150 WeakPolarHBondContact O-CG1 3.15Å; L146-I150 PolarHBondContact O-N 2.92Å; S148-I150 PolarHBondContact O-N 3.23Å; I150-S152 VanDerWaalsContact C-N 3.33Å; I150-S152 PolarHBondContact O-N 3.3Å; I150-W153 HydrophobicContact CG1-CE3 4.11Å; I150-W153 HydrophobicContact CG1-CZ3 3.95Å; I150-W153 PolarHBondContact O-N 2.96Å; I150-M154 HydrophobicContact CG2-CG 4.39Å; I150-M154 HydrophobicContact CG2-SD 4.11Å; I150-M154 WeakPolarHBondContact O-CB 3.36Å; I150-M154 VanDerWaalsContact O-CG 3.25Å; I150-M154 WeakPolarHBondContact O-CG 3.33Å; I150-M154 PolarHBondContact O-N 2.92Å |
| 151 | A | 84.3 | Confident | 86 | Confident | 32 Ų | 32 | 57.1 Ų | 57.1 | 26% | 0.264 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | W8 V147 S148 R149 M154 A155 | W8-A151 HydrophobicContact CH2-CB 3.6Å; W8-A151 HydrophobicContact CZ2-CB 4.22Å; V147-A151 PolarHBondContact O-N 3.08Å; S148-A151 PolarHBondContact O-N 2.81Å; R149-A151 PolarHBondContact O-N 3.32Å; A151-M154 PolarHBondContact O-N 3.15Å; A151-A155 WeakPolarHBondContact O-CB 3.42Å; A151-A155 PolarHBondContact O-N 3.15Å |
| 152 | S | 84.6 | Confident | 86.2 | Confident | 43 Ų | 43 | 53.1 Ų | 53.1 | 30% | 0.301 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62 | -50 | 173.6 | -169.1 | 0 | 0 | 0 | 0 | 111.3 | S148 R149 I150 M154 A155 T156 | S148-S152 WeakPolarHBondContact O-CB 3.43Å; S148-S152 PolarHBondContact O-N 3.17Å; R149-S152 WeakPolarHBondContact O-CB 3.45Å; R149-S152 PolarHBondContact O-N 3.04Å; I150-S152 VanDerWaalsContact C-N 3.33Å; I150-S152 PolarHBondContact O-N 3.3Å; S152-M154 VanDerWaalsContact C-N 3.33Å; S152-M154 PolarHBondContact O-N 2.97Å; S152-A155 PolarHBondContact O-N 2.96Å; S152-A155 VanDerWaalsContact O-N 3.15Å; S152-T156 PolarHBondContact O-N 2.88Å; S152-T156 PolarHBondContact O-OG1 3.43Å; S152-T156 VanDerWaalsContact O-OG1 3.09Å |
| 153 | W | 91.4 | Very high | 86.1 | Confident | 46 Ų | 46 | 47.1 Ų | 47.1 | 17% | 0.174 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -39.6 | 176.3 | -55.9 | -29.4 | 0 | 0 | 0 | 112.9 | A103 Y104 F107 R149 I150 Y157 | A103-W153 HydrophobicContact CB-CH2 3.75Å; A103-W153 HydrophobicContact CB-CZ3 3.9Å; Y104-W153 AromaticContact CD2-CD1 3.84Å; Y104-W153 AromaticContact CD2-CD2 3.76Å; Y104-W153 HydrophobicContact CD2-CD2 3.76Å; Y104-W153 AromaticContact CD2-CE2 3.61Å; Y104-W153 HydrophobicContact CD2-CE3 4.36Å; Y104-W153 AromaticContact CD2-CG 3.93Å; Y104-W153 HydrophobicContact CD2-CG 3.93Å; Y104-W153 HydrophobicContact CD2-CZ2 4.12Å; Y104-W153 AromaticContact CD2-NE1 3.64Å; Y104-W153 HydrophobicContact CE2-CG 4.28Å; Y104-W153 HydrophobicContact CG-CZ2 4.41Å; F107-W153 HydrophobicContact CB-CE3 4.26Å; F107-W153 HydrophobicContact CD1-CB 4Å; F107-W153 HydrophobicContact CD1-CE3 4.44Å; F107-W153 HydrophobicContact CE1-CB 3.66Å; F107-W153 HydrophobicContact CG-CE3 4.26Å; F107-W153 HydrophobicContact CZ-CB 4.06Å; R149-W153 HydrophobicContact CB-CH2 4.02Å; R149-W153 HydrophobicContact CB-CZ2 3.73Å; R149-W153 HydrophobicContact CG-CZ2 4.48Å; R149-W153 PolarHBondContact O-N 3.45Å; I150-W153 HydrophobicContact CG1-CE3 4.11Å; I150-W153 HydrophobicContact CG1-CZ3 3.95Å; I150-W153 PolarHBondContact O-N 2.96Å; W153-Y157 WeakPolarHBondContact O-CB 3.29Å; W153-Y157 PolarHBondContact O-N 3.15Å |
| 154 | M | 89.2 | Confident | 86.2 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 175.1 | -71.7 | 178.5 | 85.5 | 0 | 0 | 112.4 | F107 F127 F128 G131 I150 A151 S152 L158 | F107-M154 HydrophobicContact CE2-CG 3.74Å; F107-M154 HydrophobicContact CZ-CG 3.93Å; F127-M154 HydrophobicContact CD1-CE 4.25Å; F127-M154 HydrophobicContact CE1-CB 4.3Å; F127-M154 HydrophobicContact CE1-CE 4.06Å; F127-M154 HydrophobicContact CZ-CB 3.95Å; F127-M154 HydrophobicContact CZ-CE 4.43Å; F127-M154 HydrophobicContact CZ-CG 4.07Å; F127-M154 WeakPolarHBondContact O-CE 3.41Å; F128-M154 HydrophobicContact CD1-CE 3.98Å; G131-M154 VanDerWaalsContact CA-SD 3.57Å; I150-M154 HydrophobicContact CG2-CG 4.39Å; I150-M154 HydrophobicContact CG2-SD 4.11Å; I150-M154 WeakPolarHBondContact O-CB 3.36Å; I150-M154 VanDerWaalsContact O-CG 3.25Å; I150-M154 WeakPolarHBondContact O-CG 3.33Å; I150-M154 PolarHBondContact O-N 2.92Å; A151-M154 PolarHBondContact O-N 3.15Å; S152-M154 VanDerWaalsContact C-N 3.33Å; S152-M154 PolarHBondContact O-N 2.97Å; M154-L158 VanDerWaalsContact O-CB 3.25Å; M154-L158 WeakPolarHBondContact O-CB 3.41Å; M154-L158 PolarHBondContact O-N 3.01Å |
| 155 | A | 82.3 | Confident | 86.5 | Confident | 49 Ų | 49 | 46.6 Ų | 46.6 | 41% | 0.405 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A151 S152 L158 N159 | A151-A155 WeakPolarHBondContact O-CB 3.42Å; A151-A155 PolarHBondContact O-N 3.15Å; S152-A155 PolarHBondContact O-N 2.96Å; S152-A155 VanDerWaalsContact O-N 3.15Å; A155-L158 PolarHBondContact O-N 3.41Å; A155-N159 PolarHBondContact O-N 3.01Å; A155-N159 PolarHBondContact O-ND2 3.05Å; A155-N159 VanDerWaalsContact O-ND2 3.15Å |
| 156 | T | 84.3 | Confident | 86.3 | Confident | 69 Ų | 69 | 43.4 Ų | 43.4 | 42% | 0.423 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.5 | -54.4 | 173.4 | -56.9 | 0 | 0 | 0 | 0 | 110.9 | S152 L158 N159 D160 | S152-T156 PolarHBondContact O-N 2.88Å; S152-T156 PolarHBondContact O-OG1 3.43Å; S152-T156 VanDerWaalsContact O-OG1 3.09Å; T156-L158 VanDerWaalsContact C-N 3.3Å; T156-L158 PolarHBondContact O-N 3.23Å; T156-N159 PolarHBondContact O-N 3.12Å; T156-N159 VanDerWaalsContact O-N 3.17Å; T156-D160 VanDerWaalsContact CG2-OD2 3.29Å; T156-D160 WeakPolarHBondContact CG2-OD2 3.47Å; T156-D160 WeakPolarHBondContact O-CB 3.5Å; T156-D160 PolarHBondContact O-N 3.1Å |
| 157 | Y | 86.4 | Confident | 86 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 11% | 0.114 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -37.7 | -177.9 | -166.8 | -81.9 | 0 | 0 | 0 | 112.6 | V111 F115 F127 W153 H161 L162 | V111-Y157 HydrophobicContact CG1-CD1 3.67Å; V111-Y157 HydrophobicContact CG1-CD2 3.83Å; V111-Y157 HydrophobicContact CG1-CE1 3.39Å; V111-Y157 HydrophobicContact CG1-CE2 3.56Å; V111-Y157 HydrophobicContact CG1-CG 3.9Å; F115-Y157 AromaticContact CD2-CE1 3.68Å; F115-Y157 HydrophobicContact CD2-CE1 3.68Å; F115-Y157 AromaticContact CE2-CE1 3.85Å; F115-Y157 HydrophobicContact CE2-CE1 3.85Å; F127-Y157 AromaticContact CE2-CD1 3.89Å; F127-Y157 HydrophobicContact CE2-CD1 3.89Å; F127-Y157 HydrophobicContact CE2-CG 4.25Å; F127-Y157 HydrophobicContact CZ-CD1 4.1Å; F127-Y157 HydrophobicContact CZ-CG 4.44Å; W153-Y157 WeakPolarHBondContact O-CB 3.29Å; W153-Y157 PolarHBondContact O-N 3.15Å; Y157-H161 HydrophobicContact CD1-CB 4.19Å; Y157-H161 AromaticContact CD2-CD2 3.37Å; Y157-H161 WeakPolarHBondContact CD2-CD2 3.41Å; Y157-H161 HydrophobicContact CE1-CB 3.8Å; Y157-H161 HydrophobicContact CE2-CB 4.35Å; Y157-H161 AromaticContact CE2-CD2 3.41Å; Y157-H161 VanDerWaalsContact CE2-CD2 3.41Å; Y157-H161 WeakPolarHBondContact CE2-CD2 3.41Å; Y157-H161 AromaticContact CE2-CG 3.95Å; Y157-H161 AromaticContact CG-CD2 3.8Å; Y157-H161 AromaticContact CZ-CD2 3.85Å; Y157-H161 AromaticContact CZ-CG 3.95Å; Y157-H161 WeakPolarHBondContact O-CB 3.25Å; Y157-H161 PolarHBondContact O-N 3.32Å; Y157-L162 HydrophobicContact CD1-CD1 4.13Å; Y157-L162 HydrophobicContact CD1-CG 4.04Å; Y157-L162 HydrophobicContact CE1-CD1 4.35Å; Y157-L162 HydrophobicContact CE1-CD2 4.01Å; Y157-L162 HydrophobicContact CE1-CG 4.02Å |
| 158 | L | 85.9 | Confident | 85.8 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 13% | 0.126 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -60.9 | -50.7 | 174.9 | -175.4 | 155.1 | 0 | 0 | 0 | 111.2 | F128 M154 A155 T156 L162 E163 W172 | F128-L158 HydrophobicContact CE1-CD1 4.27Å; F128-L158 HydrophobicContact CE2-CD1 4.31Å; F128-L158 HydrophobicContact CZ-CD1 3.51Å; M154-L158 VanDerWaalsContact O-CB 3.25Å; M154-L158 WeakPolarHBondContact O-CB 3.41Å; M154-L158 PolarHBondContact O-N 3.01Å; A155-L158 PolarHBondContact O-N 3.41Å; T156-L158 VanDerWaalsContact C-N 3.3Å; T156-L158 PolarHBondContact O-N 3.23Å; L158-L162 CarbonylContact O-C 3.49Å; L158-L162 WeakPolarHBondContact O-CA 3.47Å; L158-L162 WeakPolarHBondContact O-CB 3.47Å; L158-L162 PolarHBondContact O-N 2.86Å; L158-L162 VanDerWaalsContact O-N 3.08Å; L158-E163 WeakPolarHBondContact O-CB 3.49Å; L158-E163 PolarHBondContact O-N 2.93Å; L158-W172 HydrophobicContact CD1-CZ2 4.11Å |
| 159 | N | 82.2 | Confident | 85.6 | Confident | 98 Ų | 98 | 59.4 Ų | 59.4 | 52% | 0.524 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -65.4 | -42 | -178.2 | -66.9 | -26.4 | 0 | 0 | 0 | 112.3 | A155 T156 | A155-N159 PolarHBondContact O-N 3.01Å; A155-N159 PolarHBondContact O-ND2 3.05Å; A155-N159 VanDerWaalsContact O-ND2 3.15Å; T156-N159 PolarHBondContact O-N 3.12Å; T156-N159 VanDerWaalsContact O-N 3.17Å |
| 160 | D | 90.9 | Very high | 85 | Confident | 104 Ų | 104 | 56.6 Ų | 56.6 | 56% | 0.556 | 31% | 0.312 | S | S | * | . | I | π-helix | trans | -83.5 | -32.8 | -170.6 | -65.8 | -11.8 | 0 | 0 | 0 | 113 | T156 | T156-D160 VanDerWaalsContact CG2-OD2 3.29Å; T156-D160 WeakPolarHBondContact CG2-OD2 3.47Å; T156-D160 WeakPolarHBondContact O-CB 3.5Å; T156-D160 PolarHBondContact O-N 3.1Å |
| 161 | H | 90.7 | Very high | 84.5 | Confident | 104 Ų | 104 | 57 Ų | 57 | 48% | 0.481 | 32% | 0.316 | S | S | . | . | I | π-helix | trans | -119.8 | -31.8 | -172 | -58 | -70.9 | 0 | 0 | 0 | 115 | Y157 | Y157-H161 HydrophobicContact CD1-CB 4.19Å; Y157-H161 AromaticContact CD2-CD2 3.37Å; Y157-H161 WeakPolarHBondContact CD2-CD2 3.41Å; Y157-H161 HydrophobicContact CE1-CB 3.8Å; Y157-H161 HydrophobicContact CE2-CB 4.35Å; Y157-H161 AromaticContact CE2-CD2 3.41Å; Y157-H161 VanDerWaalsContact CE2-CD2 3.41Å; Y157-H161 WeakPolarHBondContact CE2-CD2 3.41Å; Y157-H161 AromaticContact CE2-CG 3.95Å; Y157-H161 AromaticContact CG-CD2 3.8Å; Y157-H161 AromaticContact CZ-CD2 3.85Å; Y157-H161 AromaticContact CZ-CG 3.95Å; Y157-H161 WeakPolarHBondContact O-CB 3.25Å; Y157-H161 PolarHBondContact O-N 3.32Å |
| 162 | L | 88.1 | Confident | 84 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -98.4 | -37.6 | -173.2 | -55.7 | -179.6 | 0 | 0 | 0 | 112.7 | F115 V119 I124 F127 Y157 L158 P164 W165 I166 | F115-L162 HydrophobicContact CD1-CD2 4.08Å; F115-L162 HydrophobicContact CD2-CD2 4.23Å; F115-L162 HydrophobicContact CE1-CD2 3.71Å; F115-L162 HydrophobicContact CE2-CD1 4.18Å; F115-L162 HydrophobicContact CE2-CD2 3.9Å; F115-L162 HydrophobicContact CG-CD2 4.33Å; F115-L162 HydrophobicContact CZ-CD1 3.92Å; F115-L162 HydrophobicContact CZ-CD2 3.63Å; F115-L162 HydrophobicContact CZ-CG 4.44Å; V119-L162 HydrophobicContact CG1-CD2 3.9Å; V119-L162 HydrophobicContact CG2-CD2 3.87Å; I124-L162 HydrophobicContact CG1-CD1 4.46Å; F127-L162 HydrophobicContact CD1-CD1 4.06Å; F127-L162 HydrophobicContact CE1-CD1 4.09Å; F127-L162 HydrophobicContact CG-CD1 4.46Å; F127-L162 HydrophobicContact CZ-CD1 4.49Å; Y157-L162 HydrophobicContact CD1-CD1 4.13Å; Y157-L162 HydrophobicContact CD1-CG 4.04Å; Y157-L162 HydrophobicContact CE1-CD1 4.35Å; Y157-L162 HydrophobicContact CE1-CD2 4.01Å; Y157-L162 HydrophobicContact CE1-CG 4.02Å; L158-L162 CarbonylContact O-C 3.49Å; L158-L162 WeakPolarHBondContact O-CA 3.47Å; L158-L162 WeakPolarHBondContact O-CB 3.47Å; L158-L162 PolarHBondContact O-N 2.86Å; L158-L162 VanDerWaalsContact O-N 3.08Å; L162-P164 VanDerWaalsContact C-CD 3.5Å; L162-W165 PolarHBondContact O-N 3.45Å; L162-W165 VanDerWaalsContact O-N 3.17Å; L162-I166 HydrophobicContact CB-CD1 3.93Å; L162-I166 WeakPolarHBondContact O-CD1 3.44Å; L162-I166 WeakPolarHBondContact O-CG1 3.46Å; L162-I166 PolarHBondContact O-N 2.92Å |
| 163 | E | 84.1 | Confident | 82.9 | Confident | 48 Ų | 48 | 55.9 Ų | 55.9 | 22% | 0.224 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.8 | -40.2 | -175 | -171.2 | 62.6 | -161.5 | 0 | 0 | 113.5 | L158 W165 I166 Q167 W172 | L158-E163 WeakPolarHBondContact O-CB 3.49Å; L158-E163 PolarHBondContact O-N 2.93Å; E163-W165 PolarHBondContact O-N 3.42Å; E163-I166 PolarHBondContact O-N 3.34Å; E163-Q167 HydrophobicContact CG-CG 4.46Å; E163-Q167 WeakPolarHBondContact O-CG 3.5Å; E163-Q167 PolarHBondContact O-N 2.9Å; E163-Q167 PolarHBondContact OE1-NE2 3.46Å; E163-W172 PolarHBondContact OE2-NE1 3.05Å; E163-W172 VanDerWaalsContact OE2-NE1 3.12Å |
| 164 | P | 89.5 | Confident | 81.1 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.3 | -48.8 | 174.3 | -24.3 | 34.9 | 0 | 0 | 0 | 112.5 | L162 I166 Q167 E168 | L162-P164 VanDerWaalsContact C-CD 3.5Å; P164-I166 VanDerWaalsContact C-N 3.35Å; P164-I166 PolarHBondContact O-N 2.96Å; P164-Q167 PolarHBondContact O-N 3.36Å; P164-E168 WeakPolarHBondContact O-CG 3.45Å; P164-E168 PolarHBondContact O-N 3.34Å |
| 165 | W | 90.3 | Very high | 78.8 | Confident | 51 Ų | 51 | 60 Ų | 60 | 19% | 0.193 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 178.2 | -177.5 | 92.7 | 0 | 0 | 0 | 111.7 | V119 N120 W121 I124 L162 E163 E168 N169 | V119-W165 HydrophobicContact CB-CB 4.16Å; V119-W165 HydrophobicContact CB-CD2 3.8Å; V119-W165 HydrophobicContact CB-CE3 4.38Å; V119-W165 HydrophobicContact CB-CG 3.66Å; V119-W165 HydrophobicContact CG1-CB 4.17Å; V119-W165 HydrophobicContact CG1-CD2 3.51Å; V119-W165 HydrophobicContact CG1-CE3 3.58Å; V119-W165 HydrophobicContact CG1-CG 3.77Å; V119-W165 HydrophobicContact CG1-CZ3 4.28Å; V119-W165 HydrophobicContact CG2-CB 4.49Å; V119-W165 HydrophobicContact CG2-CG 4.45Å; V119-W165 VanDerWaalsContact O-CE2 3.27Å; V119-W165 WeakPolarHBondContact O-CZ2 3.41Å; V119-W165 PolarHBondContact O-NE1 2.91Å; N120-W165 HydrophobicContact CB-CZ2 4.47Å; W121-W165 AromaticContact CD1-CH2 3.65Å; W121-W165 HydrophobicContact CD2-CH2 4.14Å; W121-W165 AromaticContact CD2-CZ3 3.8Å; W121-W165 HydrophobicContact CD2-CZ3 3.8Å; W121-W165 AromaticContact CE2-CZ3 3.72Å; W121-W165 HydrophobicContact CE3-CZ3 4.31Å; W121-W165 AromaticContact CG-CH2 3.92Å; W121-W165 HydrophobicContact CG-CH2 3.92Å; W121-W165 HydrophobicContact CG-CZ3 4.05Å; W121-W165 HydrophobicContact CZ2-CZ3 4.19Å; W121-W165 AromaticContact NE1-CH2 3.68Å; W121-W165 AromaticContact NE1-CZ3 3.87Å; I124-W165 HydrophobicContact CD1-CE3 3.77Å; I124-W165 HydrophobicContact CD1-CZ3 3.65Å; L162-W165 PolarHBondContact O-N 3.45Å; L162-W165 VanDerWaalsContact O-N 3.17Å; E163-W165 PolarHBondContact O-N 3.42Å; W165-E168 PolarHBondContact O-N 2.84Å; W165-N169 HydrophobicContact CD2-CB 4.43Å; W165-N169 HydrophobicContact CE3-CB 4.29Å; W165-N169 HydrophobicContact CH2-CB 3.92Å; W165-N169 HydrophobicContact CZ2-CB 4.09Å; W165-N169 VanDerWaalsContact CZ2-CG 3.46Å; W165-N169 HydrophobicContact CZ3-CB 4.03Å; W165-N169 PolarHBondContact NE1-ND2 3.41Å; W165-N169 WeakPolarHBondContact O-CB 3.36Å; W165-N169 PolarHBondContact O-N 3.25Å; W165-N169 PolarHBondContact O-ND2 3.32Å |
| 166 | I | 80.9 | Confident | 77 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.3 | -50.4 | 176.8 | -74.4 | 157 | 0 | 0 | 0 | 110 | W121 I124 L162 E163 P164 E168 N169 G170 G171 W172 | W121-I166 HydrophobicContact CH2-CB 4.39Å; W121-I166 HydrophobicContact CH2-CG1 4.1Å; W121-I166 HydrophobicContact CH2-CG2 3.86Å; W121-I166 HydrophobicContact CZ3-CG1 4.13Å; I124-I166 HydrophobicContact CD1-CD1 4.19Å; I124-I166 HydrophobicContact CD1-CG1 3.82Å; L162-I166 HydrophobicContact CB-CD1 3.93Å; L162-I166 WeakPolarHBondContact O-CD1 3.44Å; L162-I166 WeakPolarHBondContact O-CG1 3.46Å; L162-I166 PolarHBondContact O-N 2.92Å; E163-I166 PolarHBondContact O-N 3.34Å; P164-I166 VanDerWaalsContact C-N 3.35Å; P164-I166 PolarHBondContact O-N 2.96Å; I166-E168 PolarHBondContact O-N 3.17Å; I166-N169 CarbonylContact O-C 3.46Å; I166-N169 PolarHBondContact O-N 3.01Å; I166-N169 VanDerWaalsContact O-N 3.12Å; I166-G170 PolarHBondContact O-N 3.46Å; I166-G171 WeakPolarHBondContact O-CA 3.31Å; I166-G171 PolarHBondContact O-N 3.29Å; I166-W172 HydrophobicContact CD1-CH2 3.86Å; I166-W172 HydrophobicContact CD1-CZ2 3.27Å; I166-W172 HydrophobicContact CG1-CZ2 4.26Å; I166-W172 HydrophobicContact CG2-CD2 4.13Å; I166-W172 HydrophobicContact CG2-CG 4.15Å; I166-W172 HydrophobicContact CG2-CZ2 4.45Å |
| 167 | Q | 79.5 | Confident | 75 | Confident | 113 Ų | 113 | 61.1 Ų | 61.1 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 179.1 | -66.6 | -63.9 | -24.5 | 0 | 0 | 112.1 | E163 P164 N169 G170 | E163-Q167 HydrophobicContact CG-CG 4.46Å; E163-Q167 WeakPolarHBondContact O-CG 3.5Å; E163-Q167 PolarHBondContact O-N 2.9Å; E163-Q167 PolarHBondContact OE1-NE2 3.46Å; P164-Q167 PolarHBondContact O-N 3.36Å; Q167-N169 PolarHBondContact O-N 2.82Å; Q167-G170 PolarHBondContact O-N 2.98Å |
| 168 | E | 83.2 | Confident | 72.8 | Confident | 157 Ų | 157 | 63.8 Ų | 63.8 | 73% | 0.734 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.4 | -29.8 | 174 | -73 | 174.6 | -178.5 | 0 | 0 | 113.3 | P164 W165 I166 | P164-E168 WeakPolarHBondContact O-CG 3.45Å; P164-E168 PolarHBondContact O-N 3.34Å; W165-E168 PolarHBondContact O-N 2.84Å; I166-E168 PolarHBondContact O-N 3.17Å |
| 169 | N | 78.2 | Confident | 71 | Confident | 78 Ų | 78 | 65.8 Ų | 65.8 | 42% | 0.417 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 26.1 | -177.2 | -72.8 | -97.4 | 0 | 0 | 0 | 113.5 | W165 I166 Q167 | W165-N169 HydrophobicContact CD2-CB 4.43Å; W165-N169 HydrophobicContact CE3-CB 4.29Å; W165-N169 HydrophobicContact CH2-CB 3.92Å; W165-N169 HydrophobicContact CZ2-CB 4.09Å; W165-N169 VanDerWaalsContact CZ2-CG 3.46Å; W165-N169 HydrophobicContact CZ3-CB 4.03Å; W165-N169 PolarHBondContact NE1-ND2 3.41Å; W165-N169 WeakPolarHBondContact O-CB 3.36Å; W165-N169 PolarHBondContact O-N 3.25Å; W165-N169 PolarHBondContact O-ND2 3.32Å; I166-N169 CarbonylContact O-C 3.46Å; I166-N169 PolarHBondContact O-N 3.01Å; I166-N169 VanDerWaalsContact O-N 3.12Å; Q167-N169 PolarHBondContact O-N 2.82Å |
| 170 | G | 73.5 | Confident | 69.2 | Low | 52 Ų | 52 | 62.8 Ų | 62.8 | 54% | 0.536 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.8 | 3.2 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | I166 Q167 G173 | I166-G170 PolarHBondContact O-N 3.46Å; Q167-G170 PolarHBondContact O-N 2.98Å; G170-G173 VanDerWaalsContact O-O 3.09Å |
| 171 | G | 75.1 | Confident | 66.8 | Low | 9 Ų | 9 | 65 Ų | 65 | 9% | 0.093 | 39% | 0.387 | C | S | . | . | trans | 69.9 | -172 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I166 G173 | I166-G171 WeakPolarHBondContact O-CA 3.31Å; I166-G171 PolarHBondContact O-N 3.29Å; G171-G173 PolarHBondContact O-N 3.12Å | ||
| 172 | W | 73.5 | Confident | 64.3 | Low | 40 Ų | 40 | 62.8 Ų | 62.8 | 15% | 0.152 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -70.3 | -9.1 | 168.3 | -58.5 | 104 | 0 | 0 | 0 | 113.2 | V70 L74 W121 I124 F128 L158 E163 I166 | V70-W172 HydrophobicContact CG1-CB 4.39Å; V70-W172 HydrophobicContact CG1-CD2 4.29Å; V70-W172 HydrophobicContact CG1-CE3 3.88Å; V70-W172 HydrophobicContact CG2-CB 4.12Å; L74-W172 HydrophobicContact CD1-CZ3 4.31Å; L74-W172 HydrophobicContact CD2-CZ3 4.26Å; W121-W172 HydrophobicContact CH2-CE3 4.33Å; W121-W172 AromaticContact CZ3-CE3 3.98Å; W121-W172 HydrophobicContact CZ3-CE3 3.98Å; W121-W172 HydrophobicContact CZ3-CH2 4.32Å; W121-W172 AromaticContact CZ3-CZ3 3.77Å; W121-W172 HydrophobicContact CZ3-CZ3 3.77Å; I124-W172 HydrophobicContact CG2-CH2 4.06Å; F128-W172 HydrophobicContact CE2-CH2 4.01Å; F128-W172 HydrophobicContact CZ-CH2 4.39Å; L158-W172 HydrophobicContact CD1-CZ2 4.11Å; E163-W172 PolarHBondContact OE2-NE1 3.05Å; E163-W172 VanDerWaalsContact OE2-NE1 3.12Å; I166-W172 HydrophobicContact CD1-CH2 3.86Å; I166-W172 HydrophobicContact CD1-CZ2 3.27Å; I166-W172 HydrophobicContact CG1-CZ2 4.26Å; I166-W172 HydrophobicContact CG2-CD2 4.13Å; I166-W172 HydrophobicContact CG2-CG 4.15Å; I166-W172 HydrophobicContact CG2-CZ2 4.45Å |
| 173 | G | 61.6 | Low | 62.4 | Low | 12 Ų | 12 | 65.1 Ų | 65.1 | 12% | 0.124 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -99.6 | 127.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G170 G171 S175 | G170-G173 VanDerWaalsContact O-O 3.09Å; G171-G173 PolarHBondContact O-N 3.12Å; G173-S175 VanDerWaalsContact C-N 3.28Å; G173-S175 PolarHBondContact O-N 3.12Å |
| 174 | V | 52.7 | Low | 60.7 | Low | 51 Ų | 51 | 63.9 Ų | 63.9 | 31% | 0.309 | 39% | 0.391 | S | S | . | . | trans | -78.1 | 77.6 | 171.9 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | G176 T178 L180 | V174-G176 PolarHBondContact O-N 2.77Å; V174-G176 VanDerWaalsContact O-N 3.13Å; V174-T178 WeakPolarHBondContact CG1-O 3.36Å; V174-T178 WeakPolarHBondContact CG2-O 3.36Å; V174-L180 HydrophobicContact CG2-CD1 3.46Å; V174-L180 VanDerWaalsContact CG2-CD1 3.46Å | ||
| 175 | S | 40.8 | Very low | 58.4 | Low | 103 Ų | 103 | 69 Ų | 69 | 72% | 0.72 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 102.5 | 163.6 | -67.6 | 0 | 0 | 0 | 0 | 109 | G173 | G173-S175 VanDerWaalsContact C-N 3.28Å; G173-S175 PolarHBondContact O-N 3.12Å |
| 176 | G | 45.9 | Very low | 55.9 | Low | 76 Ų | 76 | 76.5 Ų | 76.5 | 78% | 0.784 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 119.9 | 14.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | V174 T178 | V174-G176 PolarHBondContact O-N 2.77Å; V174-G176 VanDerWaalsContact O-N 3.13Å; G176-T178 PolarHBondContact O-N 3.45Å |
| 177 | G | 41.4 | Very low | 53.8 | Low | 65 Ų | 65 | 78.3 Ų | 78.3 | 67% | 0.67 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 76.7 | 11.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | P179 | G177-P179 WeakPolarHBondContact O-CD 3.44Š|
| 178 | T | 41.7 | Very low | 51.8 | Low | 85 Ų | 85 | 75.5 Ų | 75.5 | 52% | 0.521 | 43% | 0.429 | S | S | . | . | trans | -88.2 | 88.3 | 167.3 | 43 | 0 | 0 | 0 | 0 | 111 | V174 G176 | V174-T178 WeakPolarHBondContact CG1-O 3.36Å; V174-T178 WeakPolarHBondContact CG2-O 3.36Å; G176-T178 PolarHBondContact O-N 3.45Å | ||
| 179 | P | 47.2 | Very low | 49.6 | Very low | 67 Ų | 67 | 75 Ų | 75 | 44% | 0.435 | 43% | 0.427 | S | S | . | . | trans | -52 | 150.2 | -172.2 | 21.9 | -34.7 | 0 | 0 | 0 | 111.6 | G177 R181 S182 | G177-P179 WeakPolarHBondContact O-CD 3.44Å; P179-R181 PolarHBondContact O-N 3.1Å; P179-S182 WeakPolarHBondContact O-CA 3.33Å; P179-S182 VanDerWaalsContact O-CB 3.31Å; P179-S182 WeakPolarHBondContact O-CB 3.33Å; P179-S182 PolarHBondContact O-N 3.49Å | ||
| 180 | L | 44.5 | Very low | 47.6 | Very low | 34 Ų | 34 | 74.9 Ų | 74.9 | 18% | 0.178 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -48 | -35.7 | -179.7 | -115.7 | 62.6 | 0 | 0 | 0 | 112 | A73 V174 S182 V183 F184 | A73-L180 HydrophobicContact CB-CB 3.81Å; A73-L180 HydrophobicContact CB-CD2 3.48Å; A73-L180 VanDerWaalsContact CB-CD2 3.48Å; A73-L180 HydrophobicContact CB-CG 4.23Å; V174-L180 HydrophobicContact CG2-CD1 3.46Å; V174-L180 VanDerWaalsContact CG2-CD1 3.46Å; L180-S182 PolarHBondContact O-N 3.04Å; L180-V183 WeakPolarHBondContact O-CB 3.19Å; L180-V183 PolarHBondContact O-N 2.85Å; L180-F184 HydrophobicContact CB-CD2 4.16Å; L180-F184 HydrophobicContact CB-CE2 4.1Å; L180-F184 HydrophobicContact CD2-CE2 3.96Å; L180-F184 HydrophobicContact CG-CD2 4.37Å; L180-F184 HydrophobicContact CG-CE2 3.85Å; L180-F184 WeakPolarHBondContact O-CD2 3.49Å; L180-F184 PolarHBondContact O-N 2.91Å |
| 181 | R | 40.3 | Very low | 45.6 | Very low | 152 Ų | 152 | 78.2 Ų | 78.2 | 57% | 0.574 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -56.3 | -29 | 174 | -48.5 | -177.1 | 94.7 | -158.3 | 6.3 | 114.4 | E76 P179 R185 | E76-R181 IonicContact OE1-NH2 3.87Å; E76-R181 IonicContact OE2-CZ 3.2Å; E76-R181 IonicContact OE2-NE 2.82Å; E76-R181 PolarHBondContact OE2-NE 3.49Å; E76-R181 IonicContact OE2-NH2 2.75Å; E76-R181 PolarHBondContact OE2-NH2 2.74Å; P179-R181 PolarHBondContact O-N 3.1Å; R181-R185 WeakPolarHBondContact O-CB 3.47Å; R181-R185 PolarHBondContact O-N 3.4Å |
| 182 | S | 38.1 | Very low | 43.9 | Very low | 56 Ų | 56 | 79 Ų | 79 | 39% | 0.392 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -80 | -32.6 | 174.6 | -64.1 | 0 | 0 | 0 | 0 | 112.9 | P179 L180 R186 | P179-S182 WeakPolarHBondContact O-CA 3.33Å; P179-S182 VanDerWaalsContact O-CB 3.31Å; P179-S182 WeakPolarHBondContact O-CB 3.33Å; P179-S182 PolarHBondContact O-N 3.49Å; L180-S182 PolarHBondContact O-N 3.04Å; S182-R186 PolarHBondContact O-N 2.93Å |
| 183 | V | 48.1 | Very low | 42.2 | Very low | 50 Ų | 50 | 78.5 Ų | 78.5 | 30% | 0.303 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.7 | -50.3 | 170.3 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | L180 R185 R186 L187 | L180-V183 WeakPolarHBondContact O-CB 3.19Å; L180-V183 PolarHBondContact O-N 2.85Å; V183-R185 PolarHBondContact O-N 3.21Å; V183-R186 WeakPolarHBondContact O-CB 3.16Å; V183-R186 PolarHBondContact O-N 2.91Å; V183-R186 VanDerWaalsContact O-N 3.1Å; V183-L187 HydrophobicContact CG1-CD1 3.77Å; V183-L187 WeakPolarHBondContact O-CD1 3.35Å; V183-L187 WeakPolarHBondContact O-CG 3.41Å; V183-L187 PolarHBondContact O-N 2.92Å |
| 184 | F | 49.5 | Very low | 41.1 | Very low | 21 Ų | 21 | 79.6 Ų | 79.6 | 9% | 0.092 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 177 | -72.8 | -59.1 | 0 | 0 | 0 | 113.9 | A73 A77 V125 L180 R186 L187 V188 | A73-F184 HydrophobicContact CB-CE2 4.3Å; A77-F184 HydrophobicContact CB-CD1 3.98Å; A77-F184 HydrophobicContact CB-CD2 4.43Å; A77-F184 HydrophobicContact CB-CE1 4Å; A77-F184 HydrophobicContact CB-CE2 4.43Å; A77-F184 HydrophobicContact CB-CG 4.23Å; A77-F184 HydrophobicContact CB-CZ 4.23Å; V125-F184 HydrophobicContact CG2-CD1 4.28Å; V125-F184 HydrophobicContact CG2-CE1 3.47Å; V125-F184 VanDerWaalsContact CG2-CE1 3.47Å; V125-F184 HydrophobicContact CG2-CZ 4.13Å; L180-F184 HydrophobicContact CB-CD2 4.16Å; L180-F184 HydrophobicContact CB-CE2 4.1Å; L180-F184 HydrophobicContact CD2-CE2 3.96Å; L180-F184 HydrophobicContact CG-CD2 4.37Å; L180-F184 HydrophobicContact CG-CE2 3.85Å; L180-F184 WeakPolarHBondContact O-CD2 3.49Å; L180-F184 PolarHBondContact O-N 2.91Å; F184-R186 PolarHBondContact O-N 3.31Å; F184-L187 HydrophobicContact CD1-CD1 3.98Å; F184-L187 HydrophobicContact CE1-CD1 4.3Å; F184-L187 PolarHBondContact O-N 3.47Å; F184-L187 VanDerWaalsContact O-N 3.12Å; F184-V188 WeakPolarHBondContact O-CB 3.24Å; F184-V188 WeakPolarHBondContact O-CG2 3.12Å; F184-V188 PolarHBondContact O-N 2.75Å |
| 185 | R | 40.5 | Very low | 40.3 | Very low | 177 Ų | 177 | 83.7 Ų | 83.7 | 67% | 0.668 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.5 | -28.9 | 173.9 | -172.5 | -176.1 | -63.5 | 174 | -0.8 | 112.7 | R181 V183 | R181-R185 WeakPolarHBondContact O-CB 3.47Å; R181-R185 PolarHBondContact O-N 3.4Å; V183-R185 PolarHBondContact O-N 3.21Å |
| 186 | R | 38.5 | Very low | 40.5 | Very low | 209 Ų | 209 | 84.2 Ų | 84.2 | 79% | 0.789 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -74.4 | -42.9 | 171.8 | -99.2 | 179.4 | 170.2 | 172.5 | -3.3 | 112.2 | S182 V183 F184 Q189 V190 | S182-R186 PolarHBondContact O-N 2.93Å; V183-R186 WeakPolarHBondContact O-CB 3.16Å; V183-R186 PolarHBondContact O-N 2.91Å; V183-R186 VanDerWaalsContact O-N 3.1Å; F184-R186 PolarHBondContact O-N 3.31Å; R186-Q189 WeakPolarHBondContact O-CB 3.27Å; R186-Q189 PolarHBondContact O-N 3.45Å; R186-Q189 VanDerWaalsContact O-N 3.1Å; R186-V190 WeakPolarHBondContact O-CG2 2.98Å; R186-V190 PolarHBondContact O-N 2.82Å |
| 187 | L | 37 | Very low | 40.3 | Very low | 38 Ų | 38 | 82.1 Ų | 82.1 | 20% | 0.199 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -66 | -41.7 | -178.5 | -68.8 | 159 | 0 | 0 | 0 | 113 | W121 V183 F184 Q189 V190 | W121-L187 HydrophobicContact CB-CD1 3.26Å; W121-L187 HydrophobicContact CB-CD2 3.98Å; W121-L187 HydrophobicContact CB-CG 4.26Å; W121-L187 HydrophobicContact CG-CD1 4.02Å; V183-L187 HydrophobicContact CG1-CD1 3.77Å; V183-L187 WeakPolarHBondContact O-CD1 3.35Å; V183-L187 WeakPolarHBondContact O-CG 3.41Å; V183-L187 PolarHBondContact O-N 2.92Å; F184-L187 HydrophobicContact CD1-CD1 3.98Å; F184-L187 HydrophobicContact CE1-CD1 4.3Å; F184-L187 PolarHBondContact O-N 3.47Å; F184-L187 VanDerWaalsContact O-N 3.12Å; L187-Q189 PolarHBondContact O-N 2.95Å; L187-Q189 VanDerWaalsContact O-N 3.17Å; L187-V190 PolarHBondContact O-N 2.83Å; L187-V190 VanDerWaalsContact O-N 3.14Å |
| 188 | V | 37.5 | Very low | 40.1 | Very low | 54 Ų | 54 | 80.6 Ų | 80.6 | 33% | 0.327 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -21.1 | 172.2 | 161.3 | 0 | 0 | 0 | 0 | 112.7 | R84 F184 | R84-V188 VanDerWaalsContact NH1-CG1 3.3Å; R84-V188 VanDerWaalsContact NH2-CG1 3.28Å; F184-V188 WeakPolarHBondContact O-CB 3.24Å; F184-V188 WeakPolarHBondContact O-CG2 3.12Å; F184-V188 PolarHBondContact O-N 2.75Å |
| 189 | Q | 36.2 | Very low | 40 | Very low | 146 Ų | 146 | 79.6 Ų | 79.6 | 68% | 0.682 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 0.5 | -179.5 | -138 | 77.2 | 63.8 | 0 | 0 | 113.6 | R186 L187 P191 | R186-Q189 WeakPolarHBondContact O-CB 3.27Å; R186-Q189 PolarHBondContact O-N 3.45Å; R186-Q189 VanDerWaalsContact O-N 3.1Å; L187-Q189 PolarHBondContact O-N 2.95Å; L187-Q189 VanDerWaalsContact O-N 3.17Å; Q189-P191 WeakPolarHBondContact O-CD 3.35Å |
| 190 | V | 36.3 | Very low | 39.5 | Very low | 75 Ų | 75 | 79.7 Ų | 79.7 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -84.5 | 117.3 | 177.4 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | R186 L187 V193 | R186-V190 WeakPolarHBondContact O-CG2 2.98Å; R186-V190 PolarHBondContact O-N 2.82Å; L187-V190 PolarHBondContact O-N 2.83Å; L187-V190 VanDerWaalsContact O-N 3.14Å; V190-V193 HydrophobicContact CB-CG2 4.24Å; V190-V193 HydrophobicContact CG1-CG2 4.25Å |
| 191 | P | 31 | Very low | 39.2 | Very low | 123 Ų | 123 | 81.8 Ų | 81.8 | 80% | 0.799 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 143.4 | 171.9 | -19 | 32.6 | 0 | 0 | 0 | 111 | Q189 | Q189-P191 WeakPolarHBondContact O-CD 3.35Š|
| 192 | G | 38.9 | Very low | 39 | Very low | 24 Ų | 24 | 78.5 Ų | 78.5 | 25% | 0.247 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.2 | -22.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 117 | A194 E195 H196 | G192-A194 PolarHBondContact O-N 3.48Å; G192-E195 PolarHBondContact O-N 2.96Å; G192-H196 PolarHBondContact O-N 2.72Å |
| 193 | V | 39.4 | Very low | 39.1 | Very low | 31 Ų | 31 | 79.9 Ų | 79.9 | 19% | 0.188 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.8 | -34 | 174.8 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | V190 V197 | V190-V193 HydrophobicContact CB-CG2 4.24Å; V190-V193 HydrophobicContact CG1-CG2 4.25Å; V193-V197 WeakPolarHBondContact O-CG2 3.31Å |
| 194 | A | 37 | Very low | 38.2 | Very low | 34 Ų | 34 | 84 Ų | 84 | 28% | 0.281 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.5 | -47.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y85 G192 C198 | Y85-A194 HydrophobicContact CE1-CB 3.49Å; Y85-A194 VanDerWaalsContact CE1-CB 3.49Å; Y85-A194 WeakPolarHBondContact OH-CB 3.45Å; G192-A194 PolarHBondContact O-N 3.48Å; A194-C198 VanDerWaalsContact O-CB 3.25Å; A194-C198 WeakPolarHBondContact O-CB 3.37Å; A194-C198 PolarHBondContact O-N 2.94Å; A194-C198 PolarHBondContact O-SG 3.31Å |
| 195 | E | 37.5 | Very low | 37.6 | Very low | 137 Ų | 137 | 88.2 Ų | 88.2 | 64% | 0.64 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -73.5 | -44.7 | -165.3 | -71.2 | 165.5 | 130.7 | 0 | 0 | 111.3 | G192 V197 C198 D199 | G192-E195 PolarHBondContact O-N 2.96Å; E195-V197 PolarHBondContact O-N 3.49Å; E195-C198 PolarHBondContact O-N 3.34Å; E195-D199 PolarHBondContact O-N 3.28Å; E195-D199 VanDerWaalsContact O-N 3.07Å |
| 196 | H | 44.1 | Very low | 37.1 | Very low | 114 Ų | 114 | 88.3 Ų | 88.3 | 53% | 0.528 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.5 | -30.2 | 179.4 | -76.4 | 62 | 0 | 0 | 0 | 113.9 | G192 | G192-H196 PolarHBondContact O-N 2.72Å |
| 197 | V | 41.1 | Very low | 37 | Very low | 33 Ų | 33 | 84 Ų | 84 | 20% | 0.2 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -85.6 | -14.7 | -179.3 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | F81 F89 L114 A126 V193 E195 | F81-V197 HydrophobicContact CZ-CG1 4.05Å; F89-V197 HydrophobicContact CE2-CG1 4.36Å; L114-V197 HydrophobicContact CD1-CG1 4.36Å; L114-V197 HydrophobicContact CD1-CG2 4.01Å; A126-V197 HydrophobicContact CB-CG1 4.06Å; V193-V197 WeakPolarHBondContact O-CG2 3.31Å; E195-V197 PolarHBondContact O-N 3.49Å |
| 198 | C | 38.4 | Very low | 37 | Very low | 32 Ų | 32 | 90.4 Ų | 90.4 | 22% | 0.216 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -115.7 | 3.8 | -176.8 | -59.4 | 0 | 0 | 0 | 0 | 113.9 | Y85 A88 A194 E195 P200 | Y85-C198 WeakPolarHBondContact CD1-SG 3.23Å; A88-C198 HydrophobicContact CB-CB 3.57Å; A88-C198 VanDerWaalsContact CB-SG 3.57Å; A194-C198 VanDerWaalsContact O-CB 3.25Å; A194-C198 WeakPolarHBondContact O-CB 3.37Å; A194-C198 PolarHBondContact O-N 2.94Å; A194-C198 PolarHBondContact O-SG 3.31Å; E195-C198 PolarHBondContact O-N 3.34Å; C198-P200 VanDerWaalsContact O-CD 3.29Å; C198-P200 WeakPolarHBondContact O-CD 3.06Å |
| 199 | D | 39.4 | Very low | 37 | Very low | 65 Ų | 65 | 91.2 Ų | 91.2 | 35% | 0.348 | 51% | 0.511 | S | S | . | . | trans | -70.3 | 121.2 | -179.3 | -162.3 | -44.9 | 0 | 0 | 0 | 110.9 | E195 S201 L202 | E195-D199 PolarHBondContact O-N 3.28Å; E195-D199 VanDerWaalsContact O-N 3.07Å; D199-S201 VanDerWaalsContact C-N 3.3Å; D199-S201 PolarHBondContact O-N 2.72Å; D199-S201 WeakPolarHBondContact OD1-CB 3.47Å; D199-S201 PolarHBondContact OD1-N 2.94Å; D199-S201 PolarHBondContact OD1-OG 3.45Å; D199-L202 HydrophobicContact CB-CD1 4.22Å; D199-L202 HydrophobicContact CB-CG 4.5Å | ||
| 200 | P | 36.7 | Very low | 37.1 | Very low | 69 Ų | 69 | 89.5 Ų | 89.5 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -60 | -37 | 175.5 | -28 | 39.3 | 0 | 0 | 0 | 114.5 | C198 L202 W203 E204 | C198-P200 VanDerWaalsContact O-CD 3.29Å; C198-P200 WeakPolarHBondContact O-CD 3.06Å; P200-L202 VanDerWaalsContact C-N 3.26Å; P200-L202 PolarHBondContact O-N 2.78Å; P200-W203 HydrophobicContact CB-CH2 3.75Å; P200-W203 HydrophobicContact CB-CZ2 3.45Å; P200-W203 VanDerWaalsContact CB-CZ2 3.45Å; P200-W203 HydrophobicContact CG-CZ2 4.17Å; P200-W203 PolarHBondContact O-N 2.95Å; P200-W203 VanDerWaalsContact O-N 3.16Å; P200-E204 PolarHBondContact O-N 3.17Å |
| 201 | S | 37.8 | Very low | 37.3 | Very low | 78 Ų | 78 | 94.2 Ų | 94.2 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -76.1 | -11.2 | -170.7 | 65.6 | 0 | 0 | 0 | 0 | 114.2 | D199 | D199-S201 VanDerWaalsContact C-N 3.3Å; D199-S201 PolarHBondContact O-N 2.72Å; D199-S201 WeakPolarHBondContact OD1-CB 3.47Å; D199-S201 PolarHBondContact OD1-N 2.94Å; D199-S201 PolarHBondContact OD1-OG 3.45Å |
| 202 | L | 36.8 | Very low | 37.9 | Very low | 82 Ų | 82 | 94.8 Ų | 94.8 | 43% | 0.429 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -81.5 | -12.9 | 170.9 | -81.8 | 170.5 | 0 | 0 | 0 | 113.5 | D199 P200 | D199-L202 HydrophobicContact CB-CD1 4.22Å; D199-L202 HydrophobicContact CB-CG 4.5Å; P200-L202 VanDerWaalsContact C-N 3.26Å; P200-L202 PolarHBondContact O-N 2.78Å |
| 203 | W | 39.2 | Very low | 38.1 | Very low | 86 Ų | 86 | 102 Ų | 102 | 33% | 0.326 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118.4 | -5.7 | 175.1 | 56.4 | -113.2 | 0 | 0 | 0 | 114.5 | Q95 P200 V205 | Q95-W203 VanDerWaalsContact CD-CZ3 3.5Å; Q95-W203 VanDerWaalsContact NE2-CZ3 3.32Å; P200-W203 HydrophobicContact CB-CH2 3.75Å; P200-W203 HydrophobicContact CB-CZ2 3.45Å; P200-W203 VanDerWaalsContact CB-CZ2 3.45Å; P200-W203 HydrophobicContact CG-CZ2 4.17Å; P200-W203 PolarHBondContact O-N 2.95Å; P200-W203 VanDerWaalsContact O-N 3.16Å; W203-V205 PolarHBondContact O-N 3.13Å |
| 204 | E | 28.6 | Very low | 38.7 | Very low | 135 Ų | 135 | 102.9 Ų | 102.9 | 63% | 0.631 | 58% | 0.576 | S | S | * | * | trans | -61.2 | 108.7 | 168.1 | -79.3 | -167.5 | 159.8 | 0 | 0 | 108.7 | P200 E206 | P200-E204 PolarHBondContact O-N 3.17Å; E204-E206 PolarHBondContact O-N 3.02Å; E204-E206 VanDerWaalsContact O-N 3.1Å | ||
| 205 | V | 37.8 | Very low | 39.4 | Very low | 111 Ų | 111 | 107 Ų | 107 | 67% | 0.673 | 60% | 0.6 | S | S | * | * | trans | -60 | 117.2 | 171.2 | -167.5 | 0 | 0 | 0 | 0 | 106.3 | W203 T207 | W203-V205 PolarHBondContact O-N 3.13Å; V205-T207 HydrophobicContact CB-CG2 4.37Å; V205-T207 HydrophobicContact CG1-CG2 4.07Å; V205-T207 PolarHBondContact O-N 2.91Å | ||
| 206 | E | 30.1 | Very low | 39.7 | Very low | 178 Ų | 178 | 106.3 Ų | 106.3 | 83% | 0.832 | 61% | 0.607 | S | S | * | * | trans | -63.7 | 82.2 | 157.4 | -77.1 | -167.6 | 122.2 | 0 | 0 | 107.2 | E204 E208 | E204-E206 PolarHBondContact O-N 3.02Å; E204-E206 VanDerWaalsContact O-N 3.1Å; E206-E208 PolarHBondContact O-N 3.35Å | ||
| 207 | T | 36.7 | Very low | 40.1 | Very low | 120 Ų | 120 | 109.8 Ų | 109.8 | 74% | 0.736 | 62% | 0.624 | S | S | * | * | trans | -68.2 | 76.1 | 154.2 | 51.5 | 0 | 0 | 0 | 0 | 105.9 | V205 G209 | V205-T207 HydrophobicContact CB-CG2 4.37Å; V205-T207 HydrophobicContact CG1-CG2 4.07Å; V205-T207 PolarHBondContact O-N 2.91Å; T207-G209 VanDerWaalsContact C-N 3.27Å; T207-G209 PolarHBondContact O-N 3.13Å | ||
| 208 | E | 36.7 | Very low | 40.3 | Very low | 172 Ų | 172 | 116.4 Ų | 116.4 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | trans | -52.2 | 102.1 | 161.3 | -110.2 | -166.1 | 111.5 | 0 | 0 | 105.7 | E206 S210 | E206-E208 PolarHBondContact O-N 3.35Å; E208-S210 PolarHBondContact O-N 2.73Å | ||
| 209 | G | 38 | Very low | 40.8 | Very low | 70 Ų | 70 | 126.5 Ų | 126.5 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | trans | -61.2 | 106.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | T207 E211 | T207-G209 VanDerWaalsContact C-N 3.27Å; T207-G209 PolarHBondContact O-N 3.13Å; G209-E211 VanDerWaalsContact C-N 3.27Å; G209-E211 PolarHBondContact O-N 2.86Å | ||
| 210 | S | 36.7 | Very low | 40.9 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | -54.9 | 101.2 | 164.8 | -78.3 | 0 | 0 | 0 | 0 | 106.9 | E208 V212 | E208-S210 PolarHBondContact O-N 2.73Å; S210-V212 VanDerWaalsContact C-N 3.35Å; S210-V212 WeakPolarHBondContact O-CG2 3.43Å; S210-V212 PolarHBondContact O-N 3.1Å | ||
| 211 | E | 40.9 | Very low | 41.1 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | trans | -60.2 | 101.7 | 176.6 | -174.9 | 167 | 99 | 0 | 0 | 106.4 | G209 Q213 | G209-E211 VanDerWaalsContact C-N 3.27Å; G209-E211 PolarHBondContact O-N 2.86Å; E211-Q213 PolarHBondContact O-N 2.87Å | ||
| 212 | V | 44.4 | Very low | 41.3 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -68.5 | 92.3 | -179.2 | -178 | 0 | 0 | 0 | 0 | 106.4 | S210 G214 | S210-V212 VanDerWaalsContact C-N 3.35Å; S210-V212 WeakPolarHBondContact O-CG2 3.43Å; S210-V212 PolarHBondContact O-N 3.1Å; V212-G214 VanDerWaalsContact C-N 3.3Å; V212-G214 PolarHBondContact O-N 2.91Å | ||
| 213 | Q | 42 | Very low | 41.5 | Very low | 175 Ų | 175 | 139 Ų | 139 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -64.6 | 94.6 | 179.4 | -168.5 | 153.2 | 70.7 | 0 | 0 | 108.2 | E211 | E211-Q213 PolarHBondContact O-N 2.87Š| ||
| 214 | G | 53.3 | Low | 41.7 | Very low | 51 Ų | 51 | 142.3 Ų | 142.3 | 53% | 0.526 | 80% | 0.798 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 147.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V212 | V212-G214 VanDerWaalsContact C-N 3.3Å; V212-G214 PolarHBondContact O-N 2.91Å |
| 215 | P | 51.1 | Low | 42.5 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 147.5 | -179.3 | 27.2 | -34.7 | 0 | 0 | 0 | 110.5 | Q217 | P215-Q217 PolarHBondContact O-N 3.43Š|
| 216 | P | 44.6 | Very low | 42.9 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 128 | -177.5 | 26 | -34.1 | 0 | 0 | 0 | 110.5 | L218 | P216-L218 PolarHBondContact O-N 3.11Š|
| 217 | Q | 52.3 | Low | 43.9 | Very low | 188 Ų | 188 | 142.5 Ų | 142.5 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 125.6 | 172.5 | -70.9 | -79.8 | 41.2 | 0 | 0 | 109.5 | P215 | P215-Q217 PolarHBondContact O-N 3.43Š|
| 218 | L | 45 | Very low | 44.5 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 133.6 | 170.3 | -71.3 | 169.1 | 0 | 0 | 0 | 109.8 | P216 | P216-L218 PolarHBondContact O-N 3.11Š|
| 219 | L | 48.6 | Very low | 45.2 | Very low | 244 Ų | 244 | 141.9 Ų | 141.9 | 100% | 1.277 | 83% | 0.827 | S | S | * | * | trans | -132.1 | 0 | 170.4 | -115.4 | 170.1 | 0 | 0 | 0 | 108.6 |
Retrieved 219 of 219 residues in 481.4 ms
(Link to these results)