| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.2 | Very low | 36.7 | Very low | 236 Ų | 236 | 164.6 Ų | 164.6 | 100% | 1.163 | 83% | 0.832 | S | S | * | * | 0 | 99 | 0 | -100 | 177.2 | 165.4 | 0 | 0 | 104.3 | |||||
| 2 | D | 34.4 | Very low | 36.5 | Very low | 156 Ų | 156 | 160.1 Ų | 160.1 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | trans | -139 | 146.5 | 174.5 | -70 | -73 | 0 | 0 | 0 | 106.6 | ||||
| 3 | P | 42.9 | Very low | 36.3 | Very low | 117 Ų | 117 | 157.5 Ų | 157.5 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 159.5 | -162.9 | 32.9 | -36.3 | 0 | 0 | 0 | 113.3 | ||
| 4 | P | 39.4 | Very low | 35.9 | Very low | 127 Ų | 127 | 159.4 Ų | 159.4 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 123.6 | 171.7 | 32.9 | -30.3 | 0 | 0 | 0 | 110.8 | ||
| 5 | D | 35.5 | Very low | 35.5 | Very low | 164 Ų | 164 | 157.5 Ų | 157.5 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 147 | 164.1 | -106.7 | -35 | 0 | 0 | 0 | 110.9 | ||
| 6 | P | 46.4 | Very low | 34.8 | Very low | 88 Ų | 88 | 157 Ų | 157 | 57% | 0.571 | 83% | 0.825 | S | S | * | * | trans | -99.1 | 177.7 | -171.3 | 25.2 | -8.6 | 0 | 0 | 0 | 113.5 | ||||
| 7 | Y | 31.3 | Very low | 35 | Very low | 181 Ų | 181 | 154.2 Ų | 154.2 | 71% | 0.71 | 82% | 0.821 | S | S | * | * | trans | 77.5 | 95.3 | 172.2 | -53.5 | -77.3 | 0 | 0 | 0 | 117.7 | Y9 | Y7-Y9 HydrophobicContact CD1-CD2 4.4Å; Y7-Y9 HydrophobicContact CD1-CE2 4.1Å | ||
| 8 | W | 31.3 | Very low | 34.5 | Very low | 259 Ų | 259 | 152.1 Ų | 152.1 | 98% | 0.981 | 82% | 0.821 | S | S | * | * | trans | -125.2 | 100.1 | 147.1 | -77.2 | 104.6 | 0 | 0 | 0 | 109.8 | ||||
| 9 | Y | 32.3 | Very low | 34.2 | Very low | 193 Ų | 193 | 148.1 Ų | 148.1 | 76% | 0.757 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 132.7 | 160.7 | -79.7 | -84.7 | 0 | 0 | 0 | 108.5 | Y7 L11 | Y7-Y9 HydrophobicContact CD1-CD2 4.4Å; Y7-Y9 HydrophobicContact CD1-CE2 4.1Å; Y9-L11 PolarHBondContact O-N 2.97Å |
| 10 | P | 33.6 | Very low | 34.1 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 126.5 | 167.8 | -17.9 | 31.8 | 0 | 0 | 0 | 110.5 | ||
| 11 | L | 32 | Very low | 33.8 | Very low | 163 Ų | 163 | 144.1 Ų | 144.1 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 143.7 | 170.4 | -75.5 | 158.4 | 0 | 0 | 0 | 110.5 | Y9 | Y9-L11 PolarHBondContact O-N 2.97Š|
| 12 | P | 34.3 | Very low | 33 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 141.2 | 170.7 | 30.9 | -33.5 | 0 | 0 | 0 | 110.2 | ||
| 13 | P | 34 | Very low | 32.8 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -71 | 140.8 | 173.6 | 29.3 | -33.4 | 0 | 0 | 0 | 111.2 | ||
| 14 | E | 30.5 | Very low | 32.4 | Very low | 184 Ų | 184 | 127.4 Ų | 127.4 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 148.1 | 179.2 | -68.1 | -167.8 | 139.7 | 0 | 0 | 113.1 | N16 | E14-N16 PolarHBondContact O-N 3.12Å; E14-N16 VanDerWaalsContact O-N 3.17Å |
| 15 | P | 30.4 | Very low | 32.1 | Very low | 131 Ų | 131 | 123.9 Ų | 123.9 | 85% | 0.851 | 72% | 0.722 | S | S | * | * | trans | -81.5 | 97.1 | -176.1 | 32.5 | -34.4 | 0 | 0 | 0 | 111.9 | S17 | P15-S17 PolarHBondContact O-N 3.43Š| ||
| 16 | N | 24.6 | Very low | 32.3 | Very low | 149 Ų | 149 | 119.1 Ų | 119.1 | 80% | 0.797 | 69% | 0.693 | S | S | * | * | trans | -88.5 | 97.5 | 178.5 | -131 | -19.6 | 0 | 0 | 0 | 112.8 | E14 | E14-N16 PolarHBondContact O-N 3.12Å; E14-N16 VanDerWaalsContact O-N 3.17Å | ||
| 17 | S | 37.6 | Very low | 31.6 | Very low | 109 Ų | 109 | 117.5 Ų | 117.5 | 76% | 0.762 | 68% | 0.678 | S | S | * | * | trans | 29.2 | 90.8 | 148.8 | 54.9 | 0 | 0 | 0 | 0 | 119 | P15 | P15-S17 PolarHBondContact O-N 3.43Š| ||
| 18 | S | 27.1 | Very low | 31.9 | Very low | 117 Ų | 117 | 110.3 Ų | 110.3 | 82% | 0.818 | 65% | 0.653 | S | S | * | * | trans | -132.6 | 106.4 | 168.2 | 64.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 19 | G | 28.2 | Very low | 31.7 | Very low | 75 Ų | 75 | 103.1 Ų | 103.1 | 77% | 0.773 | 63% | 0.627 | S | S | * | * | trans | 43.8 | 96.6 | 150.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | A21 | G19-A21 PolarHBondContact O-N 3.21Å; G19-A21 VanDerWaalsContact O-N 3.13Å | ||
| 20 | A | 31.2 | Very low | 32.1 | Very low | 115 Ų | 115 | 97.4 Ų | 97.4 | 95% | 0.95 | 61% | 0.613 | S | S | * | * | trans | -69.7 | 103.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 21 | A | 29.4 | Very low | 32.1 | Very low | 98 Ų | 98 | 102.2 Ų | 102.2 | 81% | 0.81 | 62% | 0.615 | S | S | * | * | trans | -119.3 | 95.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109.2 | G19 | G19-A21 PolarHBondContact O-N 3.21Å; G19-A21 VanDerWaalsContact O-N 3.13Å | ||
| 22 | G | 25.8 | Very low | 32.3 | Very low | 36 Ų | 36 | 102.5 Ų | 102.5 | 37% | 0.371 | 62% | 0.616 | S | S | . | * | trans | -76.4 | 146.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q47 | G22-Q47 VanDerWaalsContact C-NE2 3.34Å; G22-Q47 PolarHBondContact O-NE2 2.92Å; G22-Q47 VanDerWaalsContact O-NE2 3.11Å | ||
| 23 | S | 31.7 | Very low | 32.1 | Very low | 54 Ų | 54 | 105.4 Ų | 105.4 | 38% | 0.378 | 63% | 0.625 | S | S | . | * | trans | -51.6 | 161.2 | -171.7 | -42 | 0 | 0 | 0 | 0 | 116.2 | S114 | S23-S114 WeakPolarHBondContact OG-CB 3.37Å; S23-S114 PolarHBondContact OG-OG 3.47Å | ||
| 24 | P | 34.9 | Very low | 32.1 | Very low | 69 Ų | 69 | 106.8 Ų | 106.8 | 45% | 0.448 | 63% | 0.625 | S | S | . | * | -145.1 | 116.5 | 90.2 | 35.4 | -17.8 | 0 | 0 | 0 | 115.6 | A296 | P24-A296 HydrophobicContact CG-CB 4.38Š| |||
| 25 | F | 31.8 | Very low | 32 | Very low | 52 Ų | 52 | 103.8 Ų | 103.8 | 23% | 0.228 | 62% | 0.619 | C | S | . | * | trans | 43.8 | 74.9 | 146 | -72.9 | -125 | 0 | 0 | 0 | 119.2 | L107 Q110 N111 | F25-L107 HydrophobicContact CE1-CD2 4.34Å; F25-Q110 HydrophobicContact CE1-CG 4.32Å; F25-Q110 HydrophobicContact CE2-CB 4.32Å; F25-Q110 HydrophobicContact CE2-CG 3.7Å; F25-Q110 HydrophobicContact CZ-CB 3.67Å; F25-Q110 HydrophobicContact CZ-CG 3.31Å; F25-N111 WeakPolarHBondContact CD2-OD1 3.44Å; F25-N111 WeakPolarHBondContact CE1-ND2 3.39Å; F25-N111 HydrophobicContact CE2-CB 4.04Å; F25-N111 VanDerWaalsContact CE2-ND2 3.34Å; F25-N111 WeakPolarHBondContact CE2-ND2 3.28Å; F25-N111 WeakPolarHBondContact CE2-OD1 3.35Å; F25-N111 HydrophobicContact CZ-CB 4.35Å; F25-N111 WeakPolarHBondContact CZ-ND2 3.41Å | ||
| 26 | F | 40.3 | Very low | 32.3 | Very low | 64 Ų | 64 | 103 Ų | 103 | 28% | 0.281 | 62% | 0.617 | S | S | . | * | 74.9 | 155.1 | 124.2 | -48.8 | -44.6 | 0 | 0 | 0 | 119.7 | S197 C198 N199 | F26-S197 WeakPolarHBondContact CZ-OG 3.38Å; F26-C198 WeakPolarHBondContact CE2-O 3.44Å; F26-N199 HydrophobicContact CD1-CB 4.16Å; F26-N199 HydrophobicContact CD2-CB 4.02Å; F26-N199 VanDerWaalsContact CD2-CG 3.4Å; F26-N199 WeakPolarHBondContact CD2-ND2 3.29Å; F26-N199 HydrophobicContact CE1-CB 4.05Å; F26-N199 HydrophobicContact CE2-CB 3.9Å; F26-N199 VanDerWaalsContact CE2-ND2 3.34Å; F26-N199 WeakPolarHBondContact CE2-ND2 3.36Å; F26-N199 HydrophobicContact CG-CB 4.12Å; F26-N199 VanDerWaalsContact CG-CG 3.45Å; F26-N199 WeakPolarHBondContact CG-ND2 3.38Å; F26-N199 HydrophobicContact CZ-CB 3.91Å | |||
| 27 | F | 32.2 | Very low | 32.6 | Very low | 55 Ų | 55 | 100.8 Ų | 100.8 | 24% | 0.241 | 61% | 0.613 | C | S | . | * | cis | -164.7 | 160.7 | -13.6 | -135.5 | -98.8 | 0 | 0 | 0 | 107.8 | N199 | F27-N199 HydrophobicContact CD2-CB 4.4Å; F27-N199 WeakPolarHBondContact CD2-OD1 3.3Å; F27-N199 HydrophobicContact CE2-CB 4.3Å | ||
| 28 | P | 36.5 | Very low | 32.5 | Very low | 30 Ų | 30 | 103.7 Ų | 103.7 | 20% | 0.195 | 62% | 0.62 | C | S | . | * | cis | -105.3 | -179.7 | -31.4 | 20.2 | 2.6 | 0 | 0 | 0 | 111.8 | S210 | P28-S210 VanDerWaalsContact CD-OG 3.29Å; P28-S210 WeakPolarHBondContact CD-OG 3.41Å; P28-S210 WeakPolarHBondContact CG-OG 3.43Å | ||
| 29 | Y | 28 | Very low | 32.6 | Very low | 108 Ų | 108 | 106.2 Ų | 106.2 | 42% | 0.424 | 62% | 0.621 | S | S | . | * | trans | -139 | 144.2 | 161.7 | -82.7 | -75.8 | 0 | 0 | 0 | 111.9 | N284 V287 I288 I289 | Y29-N284 PolarHBondContact OH-OD1 2.99Å; Y29-V287 PolarHBondContact OH-O 2.98Å; Y29-I288 HydrophobicContact CD1-CG1 4.38Å; Y29-I288 HydrophobicContact CE1-CB 4.18Å; Y29-I288 HydrophobicContact CE1-CG1 3.93Å; Y29-I288 HydrophobicContact CE1-CG2 4.12Å; Y29-I289 PolarHBondContact OH-N 3.1Å | ||
| 30 | P | 40.2 | Very low | 32.9 | Very low | 72 Ų | 72 | 108.2 Ų | 108.2 | 47% | 0.468 | 62% | 0.623 | S | S | . | * | trans | -94.1 | 131.8 | 164.8 | 30.7 | -27.2 | 0 | 0 | 0 | 113.9 | D207 | P30-D207 WeakPolarHBondContact CB-OD1 3.49Å; P30-D207 VanDerWaalsContact CD-OD1 3.31Å; P30-D207 WeakPolarHBondContact CD-OD1 3.35Å; P30-D207 HydrophobicContact CG-CB 4.4Å; P30-D207 WeakPolarHBondContact CG-OD1 3.38Å | ||
| 31 | R | 33 | Very low | 32.8 | Very low | 228 Ų | 228 | 108.3 Ų | 108.3 | 86% | 0.86 | 61% | 0.612 | S | S | * | * | trans | 58.9 | 106.2 | 143.9 | -61 | -172.2 | -179 | -119.6 | -0.8 | 120.5 | ||||
| 32 | L | 36.4 | Very low | 32.9 | Very low | 170 Ų | 170 | 113.4 Ų | 113.4 | 89% | 0.89 | 62% | 0.619 | S | S | * | * | 34 | 110 | 119.7 | -74.5 | 166 | 0 | 0 | 0 | 118.4 | |||||
| 33 | L | 29.4 | Very low | 33.1 | Very low | 171 Ų | 171 | 116.8 Ų | 116.8 | 90% | 0.895 | 64% | 0.637 | S | S | * | * | trans | -133 | 140.3 | 145.1 | -90.7 | 173.2 | 0 | 0 | 0 | 111.1 | ||||
| 34 | N | 34.1 | Very low | 33.1 | Very low | 156 Ų | 156 | 120.6 Ų | 120.6 | 83% | 0.834 | 66% | 0.658 | S | S | * | * | trans | -82.8 | 112.8 | -177.1 | -180 | 28.9 | 0 | 0 | 0 | 110.3 | ||||
| 35 | V | 30.1 | Very low | 33.2 | Very low | 120 Ų | 120 | 121.9 Ų | 121.9 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | trans | -132.2 | 110.3 | 171.4 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 36 | S | 36.2 | Very low | 33.6 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 80% | 0.797 | 68% | 0.682 | S | S | * | * | trans | -81.6 | 114.2 | 175.6 | 48.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 37 | S | 31.2 | Very low | 34 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | trans | -145.2 | 109.6 | 166.9 | 59.4 | 0 | 0 | 0 | 0 | 111.6 | M39 | S37-M39 PolarHBondContact O-N 3.09Š| ||
| 38 | N | 35.7 | Very low | 34.6 | Very low | 170 Ų | 170 | 127.2 Ų | 127.2 | 91% | 0.909 | 71% | 0.71 | S | S | * | * | trans | -61.9 | 127.1 | 161.9 | -85.5 | -20.6 | 0 | 0 | 0 | 109.3 | ||||
| 39 | M | 28.1 | Very low | 35.3 | Very low | 169 Ų | 169 | 129.5 Ų | 129.5 | 83% | 0.833 | 73% | 0.727 | S | S | * | * | trans | -161.7 | 133.9 | 136.6 | -110.8 | -178.9 | 81.2 | 0 | 0 | 111.9 | S37 T41 | S37-M39 PolarHBondContact O-N 3.09Å; M39-T41 PolarHBondContact O-N 2.94Å | ||
| 40 | S | 34.3 | Very low | 36.9 | Very low | 118 Ų | 118 | 126 Ų | 126 | 83% | 0.825 | 72% | 0.718 | S | S | * | * | trans | -83.7 | 99.4 | -177.8 | 50.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 41 | T | 29.6 | Very low | 38.3 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 72% | 0.718 | 71% | 0.712 | S | S | * | * | trans | -139.7 | 102.2 | 160.4 | 41.2 | 0 | 0 | 0 | 0 | 109.3 | M39 S43 | M39-T41 PolarHBondContact O-N 2.94Å; T41-S43 PolarHBondContact O-N 3.44Å | ||
| 42 | Q | 31.4 | Very low | 40.4 | Very low | 204 Ų | 204 | 117.8 Ų | 117.8 | 95% | 0.953 | 69% | 0.693 | S | S | * | * | trans | -68.7 | 97.6 | 171.9 | -79.9 | -179.4 | -27 | 0 | 0 | 109.9 | V44 | Q42-V44 PolarHBondContact O-N 2.93Š| ||
| 43 | S | 29.8 | Very low | 42.4 | Very low | 108 Ų | 108 | 113.7 Ų | 113.7 | 76% | 0.755 | 68% | 0.675 | S | S | * | * | trans | -73.8 | 112.2 | 163.4 | 54 | 0 | 0 | 0 | 0 | 109.3 | T41 | T41-S43 PolarHBondContact O-N 3.44Š| ||
| 44 | V | 31.7 | Very low | 44.6 | Very low | 134 Ų | 134 | 106.8 Ų | 106.8 | 81% | 0.812 | 64% | 0.64 | S | S | * | * | trans | -58.1 | 132.3 | 174.7 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | Q42 F46 | Q42-V44 PolarHBondContact O-N 2.93Å; V44-F46 PolarHBondContact O-N 3.22Å | ||
| 45 | P | 36.3 | Very low | 46.9 | Very low | 95 Ų | 95 | 101.2 Ų | 101.2 | 62% | 0.617 | 62% | 0.616 | S | S | * | * | trans | -62.2 | 126.3 | -178.9 | -23.4 | 33.7 | 0 | 0 | 0 | 112.5 | Q47 | P45-Q47 PolarHBondContact O-N 3.38Š| ||
| 46 | F | 41.2 | Very low | 49.6 | Very low | 127 Ų | 127 | 100.7 Ų | 100.7 | 56% | 0.557 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 8.4 | 178.8 | -177.2 | -107.3 | 0 | 0 | 0 | 114.1 | V44 S50 | V44-F46 PolarHBondContact O-N 3.22Å; F46-S50 PolarHBondContact O-OG 3.36Å |
| 47 | Q | 48.4 | Very low | 52 | Low | 90 Ų | 90 | 98 Ų | 98 | 42% | 0.421 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -75.7 | -21.1 | -171.4 | -87.7 | 162.3 | -35.9 | 0 | 0 | 115.3 | G22 P45 T51 | G22-Q47 VanDerWaalsContact C-NE2 3.34Å; G22-Q47 PolarHBondContact O-NE2 2.92Å; G22-Q47 VanDerWaalsContact O-NE2 3.11Å; P45-Q47 PolarHBondContact O-N 3.38Å; Q47-T51 PolarHBondContact O-OG1 2.87Å |
| 48 | G | 45.6 | Very low | 54.7 | Low | 67 Ų | 67 | 93.6 Ų | 93.6 | 69% | 0.691 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -71.8 | -39.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 49 | S | 49.6 | Very low | 57.3 | Low | 78 Ų | 78 | 90.2 Ų | 90.2 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -97.5 | -24.3 | -171 | 54 | 0 | 0 | 0 | 0 | 114.5 | ||
| 50 | S | 62.2 | Low | 60.3 | Low | 35 Ų | 35 | 85.8 Ų | 85.8 | 25% | 0.245 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -77.2 | -35.1 | 178.8 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | F46 V53 T54 | F46-S50 PolarHBondContact O-OG 3.36Å; S50-V53 PolarHBondContact O-N 2.68Å; S50-T54 WeakPolarHBondContact O-CB 3.48Å; S50-T54 PolarHBondContact O-N 2.87Å; S50-T54 PolarHBondContact O-OG1 2.66Å |
| 51 | T | 69.1 | Low | 63 | Low | 56 Ų | 56 | 81 Ų | 81 | 34% | 0.344 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -53.9 | -49.8 | -178.1 | -56.9 | 0 | 0 | 0 | 0 | 115.1 | Q47 V53 T54 A55 V112 | Q47-T51 PolarHBondContact O-OG1 2.87Å; T51-V53 PolarHBondContact O-N 2.91Å; T51-T54 WeakPolarHBondContact O-CB 3.39Å; T51-T54 PolarHBondContact O-N 3.26Å; T51-A55 PolarHBondContact O-N 3.26Å; T51-V112 HydrophobicContact CG2-CG2 4.36Å |
| 52 | P | 77.1 | Confident | 66 | Low | 71 Ų | 71 | 77.6 Ų | 77.6 | 46% | 0.461 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.6 | -36.5 | 178 | 25.2 | -34.5 | 0 | 0 | 0 | 112.9 | A55 I56 | P52-A55 PolarHBondContact O-N 2.74Å; P52-I56 WeakPolarHBondContact O-CD1 3.38Å; P52-I56 VanDerWaalsContact O-CG1 3.27Å; P52-I56 WeakPolarHBondContact O-CG1 3.34Å; P52-I56 PolarHBondContact O-N 3.28Å |
| 53 | V | 79.9 | Confident | 68.9 | Low | 83 Ų | 83 | 72.1 Ų | 72.1 | 50% | 0.503 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 176.5 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | S50 T51 A55 I56 I57 | S50-V53 PolarHBondContact O-N 2.68Å; T51-V53 PolarHBondContact O-N 2.91Å; V53-A55 PolarHBondContact O-N 3.11Å; V53-I56 PolarHBondContact O-N 3.33Å; V53-I57 HydrophobicContact CG1-CD1 3.93Å; V53-I57 WeakPolarHBondContact O-CG1 3.42Å; V53-I57 PolarHBondContact O-N 2.98Å |
| 54 | T | 75.9 | Confident | 71.8 | Confident | 27 Ų | 27 | 70.1 Ų | 70.1 | 17% | 0.166 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -56.1 | -48.8 | 173.5 | -73.1 | 0 | 0 | 0 | 0 | 112.2 | S50 T51 I56 I57 Y58 F300 | S50-T54 WeakPolarHBondContact O-CB 3.48Å; S50-T54 PolarHBondContact O-N 2.87Å; S50-T54 PolarHBondContact O-OG1 2.66Å; T51-T54 WeakPolarHBondContact O-CB 3.39Å; T51-T54 PolarHBondContact O-N 3.26Å; T54-I56 PolarHBondContact O-N 3.33Å; T54-I57 PolarHBondContact O-N 3.06Å; T54-Y58 HydrophobicContact CG2-CD2 3.89Å; T54-Y58 HydrophobicContact CG2-CE2 3.84Å; T54-Y58 PolarHBondContact O-N 3.37Å; T54-F300 HydrophobicContact CG2-CD2 4.22Å; T54-F300 HydrophobicContact CG2-CE2 3.46Å; T54-F300 VanDerWaalsContact CG2-CE2 3.46Å; T54-F300 HydrophobicContact CG2-CZ 3.87Å; T54-F300 WeakPolarHBondContact OG1-CZ 3.42Å |
| 55 | A | 81.3 | Confident | 74.7 | Confident | 39 Ų | 39 | 63.7 Ų | 63.7 | 32% | 0.322 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T51 P52 V53 L59 | T51-A55 PolarHBondContact O-N 3.26Å; P52-A55 PolarHBondContact O-N 2.74Å; V53-A55 PolarHBondContact O-N 3.11Å; A55-L59 WeakPolarHBondContact O-CB 3.4Å; A55-L59 PolarHBondContact O-N 2.89Å |
| 56 | I | 86.9 | Confident | 77.3 | Confident | 108 Ų | 108 | 61.4 Ų | 61.4 | 55% | 0.554 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.3 | -42.9 | 176.4 | -69.1 | 163 | 0 | 0 | 0 | 111.2 | P52 V53 T54 T60 | P52-I56 WeakPolarHBondContact O-CD1 3.38Å; P52-I56 VanDerWaalsContact O-CG1 3.27Å; P52-I56 WeakPolarHBondContact O-CG1 3.34Å; P52-I56 PolarHBondContact O-N 3.28Å; V53-I56 PolarHBondContact O-N 3.33Å; T54-I56 PolarHBondContact O-N 3.33Å; I56-T60 WeakPolarHBondContact O-CB 3.41Å; I56-T60 PolarHBondContact O-N 2.76Å; I56-T60 PolarHBondContact O-OG1 3.38Å |
| 57 | I | 87.6 | Confident | 79.7 | Confident | 57 Ų | 57 | 59.8 Ų | 59.8 | 29% | 0.292 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.1 | -51.4 | 177.9 | -70.3 | 167.9 | 0 | 0 | 0 | 110.7 | V53 T54 L59 T60 V61 F300 V304 | V53-I57 HydrophobicContact CG1-CD1 3.93Å; V53-I57 WeakPolarHBondContact O-CG1 3.42Å; V53-I57 PolarHBondContact O-N 2.98Å; T54-I57 PolarHBondContact O-N 3.06Å; I57-L59 PolarHBondContact O-N 3.49Å; I57-T60 WeakPolarHBondContact O-CB 3.27Å; I57-T60 PolarHBondContact O-N 2.9Å; I57-V61 WeakPolarHBondContact O-CG2 3.28Å; I57-V61 PolarHBondContact O-N 3.42Å; I57-F300 HydrophobicContact CB-CZ 4.42Å; I57-F300 HydrophobicContact CD1-CE1 4.05Å; I57-F300 HydrophobicContact CD1-CZ 4.25Å; I57-F300 HydrophobicContact CG2-CZ 4.34Å; I57-V304 HydrophobicContact CG2-CB 4.34Å; I57-V304 HydrophobicContact CG2-CG1 3.51Å; I57-V304 HydrophobicContact CG2-CG2 3.79Å |
| 58 | Y | 87.6 | Confident | 81.6 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.4 | -38 | 178.7 | -73.8 | -36.8 | 0 | 0 | 0 | 112.8 | T54 T60 V61 F62 L104 T108 F300 V304 Y307 | T54-Y58 HydrophobicContact CG2-CD2 3.89Å; T54-Y58 HydrophobicContact CG2-CE2 3.84Å; T54-Y58 PolarHBondContact O-N 3.37Å; Y58-T60 VanDerWaalsContact C-N 3.34Å; Y58-T60 PolarHBondContact O-N 3.48Å; Y58-V61 PolarHBondContact O-N 3.01Å; Y58-F62 VanDerWaalsContact O-CB 3.23Å; Y58-F62 WeakPolarHBondContact O-CB 3.5Å; Y58-F62 PolarHBondContact O-N 3.01Å; Y58-L104 HydrophobicContact CD1-CD1 3.71Å; Y58-L104 HydrophobicContact CD1-CD2 4.22Å; Y58-L104 HydrophobicContact CD1-CG 4.37Å; Y58-L104 HydrophobicContact CE1-CD1 3.95Å; Y58-L104 HydrophobicContact CG-CD1 4.09Å; Y58-T108 HydrophobicContact CD2-CG2 3.92Å; Y58-T108 VanDerWaalsContact CD2-OG1 3.3Å; Y58-T108 WeakPolarHBondContact CD2-OG1 3.19Å; Y58-F300 HydrophobicContact CD2-CE2 4.38Å; Y58-F300 HydrophobicContact CE1-CE2 4.11Å; Y58-F300 HydrophobicContact CE2-CD2 4.43Å; Y58-F300 AromaticContact CE2-CE2 3.72Å; Y58-F300 HydrophobicContact CE2-CE2 3.72Å; Y58-F300 AromaticContact CZ-CE2 3.56Å; Y58-V304 HydrophobicContact CD1-CG2 4.02Å; Y58-V304 HydrophobicContact CE1-CB 4.47Å; Y58-V304 HydrophobicContact CE1-CG2 3.46Å; Y58-V304 VanDerWaalsContact CE1-CG2 3.46Å; Y58-Y307 HydrophobicContact CE1-CD2 4.27Å |
| 59 | L | 89.5 | Confident | 83.8 | Confident | 100 Ų | 100 | 52.9 Ų | 52.9 | 52% | 0.524 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 173.3 | -179.4 | 63.2 | 0 | 0 | 0 | 111.9 | A55 I57 F62 L63 | A55-L59 WeakPolarHBondContact O-CB 3.4Å; A55-L59 PolarHBondContact O-N 2.89Å; I57-L59 PolarHBondContact O-N 3.49Å; L59-F62 PolarHBondContact O-N 2.85Å; L59-L63 HydrophobicContact CD1-CD1 4.05Å; L59-L63 HydrophobicContact CD1-CG 4.14Å; L59-L63 HydrophobicContact CG-CD1 4.02Å; L59-L63 HydrophobicContact CG-CG 4.47Å; L59-L63 WeakPolarHBondContact O-CB 3.46Å; L59-L63 VanDerWaalsContact O-CG 3.27Å; L59-L63 WeakPolarHBondContact O-CG 3.48Å; L59-L63 PolarHBondContact O-N 3.37Å |
| 60 | T | 90.5 | Very high | 85.8 | Confident | 76 Ų | 76 | 52.7 Ų | 52.7 | 47% | 0.466 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.6 | -47.2 | 177.2 | -57.1 | 0 | 0 | 0 | 0 | 111 | I56 I57 Y58 L63 V64 | I56-T60 WeakPolarHBondContact O-CB 3.41Å; I56-T60 PolarHBondContact O-N 2.76Å; I56-T60 PolarHBondContact O-OG1 3.38Å; I57-T60 WeakPolarHBondContact O-CB 3.27Å; I57-T60 PolarHBondContact O-N 2.9Å; Y58-T60 VanDerWaalsContact C-N 3.34Å; Y58-T60 PolarHBondContact O-N 3.48Å; T60-L63 PolarHBondContact O-N 3.09Å; T60-V64 HydrophobicContact CG2-CG2 4.44Å; T60-V64 WeakPolarHBondContact O-CB 3.24Å; T60-V64 VanDerWaalsContact O-CG2 3.28Å; T60-V64 WeakPolarHBondContact O-CG2 3.44Å; T60-V64 PolarHBondContact O-N 2.88Å |
| 61 | V | 91.4 | Very high | 86.9 | Confident | 17 Ų | 17 | 53.6 Ų | 53.6 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 176.5 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | I57 Y58 G65 I101 L104 C311 | I57-V61 WeakPolarHBondContact O-CG2 3.28Å; I57-V61 PolarHBondContact O-N 3.42Å; Y58-V61 PolarHBondContact O-N 3.01Å; V61-G65 PolarHBondContact O-N 3.46Å; V61-I101 HydrophobicContact CG1-CD1 4.07Å; V61-L104 HydrophobicContact CB-CD2 4.32Å; V61-L104 HydrophobicContact CG1-CD2 4Å; V61-C311 PolarHBondContact O-SG 3.25Å |
| 62 | F | 92.3 | Very high | 87.7 | Confident | 46 Ų | 46 | 50.9 Ų | 50.9 | 20% | 0.202 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.6 | -53.1 | 175.5 | 177 | -101.6 | 0 | 0 | 0 | 112.1 | Y58 L59 V64 G65 L66 I101 L104 P105 | Y58-F62 VanDerWaalsContact O-CB 3.23Å; Y58-F62 WeakPolarHBondContact O-CB 3.5Å; Y58-F62 PolarHBondContact O-N 3.01Å; L59-F62 PolarHBondContact O-N 2.85Å; F62-V64 PolarHBondContact O-N 3.17Å; F62-G65 PolarHBondContact O-N 3.29Å; F62-L66 HydrophobicContact CE1-CD2 4.14Å; F62-L66 HydrophobicContact CE2-CD1 4.49Å; F62-L66 HydrophobicContact CZ-CD1 4.46Å; F62-L66 HydrophobicContact CZ-CD2 3.98Å; F62-L66 WeakPolarHBondContact O-CB 3.37Å; F62-L66 PolarHBondContact O-N 3.36Å; F62-I101 HydrophobicContact CD2-CG2 3.53Å; F62-I101 VanDerWaalsContact CD2-O 3.32Å; F62-I101 WeakPolarHBondContact CD2-O 3.4Å; F62-I101 HydrophobicContact CE2-CG2 4.04Å; F62-I101 HydrophobicContact CG-CG2 4.29Å; F62-L104 HydrophobicContact CB-CD2 4.3Å; F62-P105 HydrophobicContact CD2-CG 3.63Å; F62-P105 HydrophobicContact CE2-CG 3.5Å; F62-P105 VanDerWaalsContact CE2-CG 3.5Å; F62-P105 HydrophobicContact CG-CG 4.29Å; F62-P105 HydrophobicContact CZ-CG 4.05Å |
| 63 | L | 92.8 | Very high | 88.3 | Confident | 88 Ų | 88 | 49.1 Ų | 49.1 | 46% | 0.461 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | -177.6 | -69.9 | 172.9 | 0 | 0 | 0 | 112.4 | L59 T60 T67 | L59-L63 HydrophobicContact CD1-CD1 4.05Å; L59-L63 HydrophobicContact CD1-CG 4.14Å; L59-L63 HydrophobicContact CG-CD1 4.02Å; L59-L63 HydrophobicContact CG-CG 4.47Å; L59-L63 WeakPolarHBondContact O-CB 3.46Å; L59-L63 VanDerWaalsContact O-CG 3.27Å; L59-L63 WeakPolarHBondContact O-CG 3.48Å; L59-L63 PolarHBondContact O-N 3.37Å; T60-L63 PolarHBondContact O-N 3.09Å; L63-T67 WeakPolarHBondContact O-CB 3.49Å; L63-T67 VanDerWaalsContact O-CG2 3.28Å; L63-T67 WeakPolarHBondContact O-CG2 3.16Å; L63-T67 PolarHBondContact O-N 3.46Å; L63-T67 PolarHBondContact O-OG1 2.95Å |
| 64 | V | 91.4 | Very high | 88.6 | Confident | 66 Ų | 66 | 50.4 Ų | 50.4 | 40% | 0.4 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.2 | -44 | 178.3 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | T60 F62 T67 G68 C311 | T60-V64 HydrophobicContact CG2-CG2 4.44Å; T60-V64 WeakPolarHBondContact O-CB 3.24Å; T60-V64 VanDerWaalsContact O-CG2 3.28Å; T60-V64 WeakPolarHBondContact O-CG2 3.44Å; T60-V64 PolarHBondContact O-N 2.88Å; F62-V64 PolarHBondContact O-N 3.17Å; V64-T67 PolarHBondContact O-OG1 2.93Å; V64-G68 PolarHBondContact O-N 2.84Å; V64-C311 HydrophobicContact CG1-CB 3.89Å |
| 65 | G | 91.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.3 | -52.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V61 F62 G68 N69 C311 | V61-G65 PolarHBondContact O-N 3.46Å; F62-G65 PolarHBondContact O-N 3.29Å; G65-G68 PolarHBondContact O-N 3.47Å; G65-N69 WeakPolarHBondContact O-CB 3.29Å; G65-N69 PolarHBondContact O-N 2.84Å; G65-N69 PolarHBondContact O-ND2 3.46Å; G65-C311 PolarHBondContact N-SG 3.49Å |
| 66 | L | 92.5 | Very high | 88.8 | Confident | 47 Ų | 47 | 48.1 Ų | 48.1 | 25% | 0.246 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.1 | -51.4 | -179.5 | -167.5 | 83.2 | 0 | 0 | 0 | 111.2 | F62 G68 T70 E98 I101 I102 | F62-L66 HydrophobicContact CE1-CD2 4.14Å; F62-L66 HydrophobicContact CE2-CD1 4.49Å; F62-L66 HydrophobicContact CZ-CD1 4.46Å; F62-L66 HydrophobicContact CZ-CD2 3.98Å; F62-L66 WeakPolarHBondContact O-CB 3.37Å; F62-L66 PolarHBondContact O-N 3.36Å; L66-G68 PolarHBondContact O-N 3.36Å; L66-T70 WeakPolarHBondContact O-CB 3.31Å; L66-T70 PolarHBondContact O-N 3.21Å; L66-E98 VanDerWaalsContact CD1-OE1 3.27Å; L66-E98 WeakPolarHBondContact CD1-OE1 3.44Å; L66-I101 HydrophobicContact CB-CG2 4.21Å; L66-I102 HydrophobicContact CD1-CG1 4.2Å |
| 67 | T | 90.5 | Very high | 88.6 | Confident | 93 Ų | 93 | 49 Ų | 49 | 57% | 0.571 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -66.5 | -37.6 | -179.1 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | L63 V64 L71 | L63-T67 WeakPolarHBondContact O-CB 3.49Å; L63-T67 VanDerWaalsContact O-CG2 3.28Å; L63-T67 WeakPolarHBondContact O-CG2 3.16Å; L63-T67 PolarHBondContact O-N 3.46Å; L63-T67 PolarHBondContact O-OG1 2.95Å; V64-T67 PolarHBondContact O-OG1 2.93Å; T67-L71 WeakPolarHBondContact O-CB 3.39Å; T67-L71 PolarHBondContact O-N 3.44Å; T67-L71 VanDerWaalsContact O-N 3.1Å |
| 68 | G | 88.9 | Confident | 88.2 | Confident | 12 Ų | 12 | 54.7 Ų | 54.7 | 12% | 0.124 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.5 | -46.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V64 G65 L66 L71 A72 P314 | V64-G68 PolarHBondContact O-N 2.84Å; G65-G68 PolarHBondContact O-N 3.47Å; L66-G68 PolarHBondContact O-N 3.36Å; G68-L71 PolarHBondContact O-N 2.89Å; G68-A72 WeakPolarHBondContact O-CB 3.33Å; G68-A72 PolarHBondContact O-N 3.19Å; G68-P314 WeakPolarHBondContact O-CB 3.22Å; G68-P314 WeakPolarHBondContact O-CG 3.02Å |
| 69 | N | 91.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -77.9 | -42.4 | -176.8 | -72.8 | -61.4 | 0 | 0 | 0 | 112.1 | G65 L71 A72 I73 A94 E98 S310 P314 | G65-N69 WeakPolarHBondContact O-CB 3.29Å; G65-N69 PolarHBondContact O-N 2.84Å; G65-N69 PolarHBondContact O-ND2 3.46Å; N69-L71 VanDerWaalsContact C-N 3.28Å; N69-L71 PolarHBondContact O-N 2.96Å; N69-A72 WeakPolarHBondContact O-CB 3.33Å; N69-A72 PolarHBondContact O-N 3.31Å; N69-I73 WeakPolarHBondContact O-CG1 3.47Å; N69-I73 PolarHBondContact O-N 3.5Å; N69-A94 HydrophobicContact CB-CB 4.47Å; N69-E98 WeakPolarHBondContact CB-OE2 3.28Å; N69-S310 PolarHBondContact ND2-O 2.86Å; N69-S310 VanDerWaalsContact ND2-O 3.1Å; N69-S310 PolarHBondContact ND2-OG 3.4Å; N69-S310 VanDerWaalsContact ND2-OG 3.11Å; N69-P314 HydrophobicContact CB-CG 4.49Å; N69-P314 VanDerWaalsContact OD1-CG 3.28Å; N69-P314 WeakPolarHBondContact OD1-CG 3.31Å |
| 70 | T | 91.4 | Very high | 86 | Confident | 73 Ų | 73 | 53.5 Ų | 53.5 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -53.4 | -44 | 166.5 | -86.9 | 0 | 0 | 0 | 0 | 111.7 | L66 I73 Y74 E98 | L66-T70 WeakPolarHBondContact O-CB 3.31Å; L66-T70 PolarHBondContact O-N 3.21Å; T70-I73 PolarHBondContact O-N 3.19Å; T70-Y74 WeakPolarHBondContact O-CB 3.45Å; T70-Y74 PolarHBondContact O-N 3.45Å; T70-E98 PolarHBondContact N-OE2 3.48Å; T70-E98 VanDerWaalsContact N-OE2 3.12Å; T70-E98 PolarHBondContact OG1-OE1 2.87Å |
| 71 | L | 86.6 | Confident | 84.2 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 28% | 0.283 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 175.8 | 172.8 | 66.9 | 0 | 0 | 0 | 111.9 | T67 G68 N69 Y74 V75 F328 | T67-L71 WeakPolarHBondContact O-CB 3.39Å; T67-L71 PolarHBondContact O-N 3.44Å; T67-L71 VanDerWaalsContact O-N 3.1Å; G68-L71 PolarHBondContact O-N 2.89Å; N69-L71 VanDerWaalsContact C-N 3.28Å; N69-L71 PolarHBondContact O-N 2.96Å; L71-Y74 PolarHBondContact O-N 2.92Å; L71-V75 HydrophobicContact CD1-CG2 3.84Å; L71-V75 HydrophobicContact CG-CG2 4.31Å; L71-V75 WeakPolarHBondContact O-CB 3.47Å; L71-V75 VanDerWaalsContact O-CG2 3.26Å; L71-V75 WeakPolarHBondContact O-CG2 3.48Å; L71-V75 PolarHBondContact O-N 3.46Å; L71-F328 HydrophobicContact CD1-CD2 4.2Å; L71-F328 HydrophobicContact CD1-CE2 4.06Å; L71-F328 HydrophobicContact CD2-CD2 4.1Å; L71-F328 HydrophobicContact CD2-CE2 3.54Å; L71-F328 HydrophobicContact CD2-CZ 4.33Å; L71-F328 HydrophobicContact CG-CE2 4.32Å |
| 72 | A | 84.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G68 N69 V75 V76 A94 F324 | G68-A72 WeakPolarHBondContact O-CB 3.33Å; G68-A72 PolarHBondContact O-N 3.19Å; N69-A72 WeakPolarHBondContact O-CB 3.33Å; N69-A72 PolarHBondContact O-N 3.31Å; A72-V75 PolarHBondContact O-N 3.21Å; A72-V76 WeakPolarHBondContact O-CB 3.42Å; A72-V76 VanDerWaalsContact O-CG2 3.3Å; A72-V76 WeakPolarHBondContact O-CG2 3.49Å; A72-V76 PolarHBondContact O-N 3.29Å; A72-A94 HydrophobicContact CB-CB 4.16Å; A72-F324 HydrophobicContact CB-CE2 4.15Å; A72-F324 HydrophobicContact CB-CZ 4.23Å |
| 73 | I | 89.2 | Confident | 80.9 | Confident | 34 Ų | 34 | 71.3 Ų | 71.3 | 17% | 0.174 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.7 | -53 | 172.9 | -67 | 165 | 0 | 0 | 0 | 109.8 | N69 T70 V75 V76 L77 L91 A94 V95 E98 | N69-I73 WeakPolarHBondContact O-CG1 3.47Å; N69-I73 PolarHBondContact O-N 3.5Å; T70-I73 PolarHBondContact O-N 3.19Å; I73-V75 PolarHBondContact O-N 3.17Å; I73-V76 PolarHBondContact O-N 2.93Å; I73-L77 HydrophobicContact CG2-CD1 3.7Å; I73-L77 HydrophobicContact CG2-CG 4.35Å; I73-L77 WeakPolarHBondContact O-CB 3.45Å; I73-L77 VanDerWaalsContact O-CG 3.31Å; I73-L77 WeakPolarHBondContact O-CG 3.23Å; I73-L77 PolarHBondContact O-N 3.35Å; I73-L91 HydrophobicContact CB-CD1 4.3Å; I73-L91 HydrophobicContact CG1-CD1 4.12Å; I73-L91 HydrophobicContact CG2-CD1 4.08Å; I73-A94 HydrophobicContact CD1-CB 4.4Å; I73-A94 HydrophobicContact CG1-CB 3.82Å; I73-V95 HydrophobicContact CD1-CG2 4Å; I73-V95 HydrophobicContact CG1-CG2 4.27Å; I73-E98 HydrophobicContact CD1-CB 4.45Å |
| 74 | Y | 86.4 | Confident | 80 | Confident | 109 Ų | 109 | 69.9 Ų | 69.9 | 43% | 0.427 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.5 | -47.6 | -180 | 176.1 | -99.4 | 0 | 0 | 0 | 112.8 | T70 L71 V76 L77 R78 Y79 V331 | T70-Y74 WeakPolarHBondContact O-CB 3.45Å; T70-Y74 PolarHBondContact O-N 3.45Å; L71-Y74 PolarHBondContact O-N 2.92Å; Y74-V76 PolarHBondContact O-N 3.35Å; Y74-L77 PolarHBondContact O-N 3.41Å; Y74-R78 HydrophobicContact CE2-CB 4.32Å; Y74-R78 HydrophobicContact CE2-CG 4.4Å; Y74-R78 WeakPolarHBondContact O-CB 3.31Å; Y74-R78 PolarHBondContact O-N 2.92Å; Y74-Y79 AromaticContact CE1-CE2 3.87Å; Y74-Y79 HydrophobicContact CE1-CE2 3.87Å; Y74-V331 HydrophobicContact CE1-CG1 4.4Å; Y74-V331 HydrophobicContact CE1-CG2 4.08Å |
| 75 | V | 80.4 | Confident | 79.2 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.5 | -42.6 | -180 | 167.8 | 0 | 0 | 0 | 0 | 111.3 | L71 A72 I73 Y79 A80 F324 V331 | L71-V75 HydrophobicContact CD1-CG2 3.84Å; L71-V75 HydrophobicContact CG-CG2 4.31Å; L71-V75 WeakPolarHBondContact O-CB 3.47Å; L71-V75 VanDerWaalsContact O-CG2 3.26Å; L71-V75 WeakPolarHBondContact O-CG2 3.48Å; L71-V75 PolarHBondContact O-N 3.46Å; A72-V75 PolarHBondContact O-N 3.21Å; I73-V75 PolarHBondContact O-N 3.17Å; V75-Y79 PolarHBondContact O-N 3.27Å; V75-A80 PolarHBondContact O-N 2.93Å; V75-F324 HydrophobicContact CB-CE2 3.93Å; V75-F324 HydrophobicContact CB-CZ 4.22Å; V75-F324 HydrophobicContact CG1-CD2 3.87Å; V75-F324 HydrophobicContact CG1-CE2 3.73Å; V75-F324 HydrophobicContact CG1-CG 4.44Å; V75-F324 HydrophobicContact CG1-CZ 4.2Å; V75-F324 HydrophobicContact CG2-CZ 4.4Å; V75-V331 HydrophobicContact CG2-CG2 4.25Å |
| 76 | V | 81.1 | Confident | 78.5 | Confident | 17 Ų | 17 | 68.9 Ų | 68.9 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.1 | -41.8 | 178.7 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | A72 I73 Y74 A80 N87 I90 L91 | A72-V76 WeakPolarHBondContact O-CB 3.42Å; A72-V76 VanDerWaalsContact O-CG2 3.3Å; A72-V76 WeakPolarHBondContact O-CG2 3.49Å; A72-V76 PolarHBondContact O-N 3.29Å; I73-V76 PolarHBondContact O-N 2.93Å; Y74-V76 PolarHBondContact O-N 3.35Å; V76-A80 VanDerWaalsContact O-CB 3.31Å; V76-A80 WeakPolarHBondContact O-CB 3.36Å; V76-N87 HydrophobicContact CG1-CB 4.24Å; V76-I90 HydrophobicContact CG2-CG2 4.08Å; V76-L91 HydrophobicContact CG1-CB 4.18Å |
| 77 | L | 83.8 | Confident | 77.8 | Confident | 125 Ų | 125 | 67.6 Ų | 67.6 | 65% | 0.654 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -70.5 | -36.9 | 178.6 | -68.1 | 177.4 | 0 | 0 | 0 | 113.1 | I73 Y74 L91 | I73-L77 HydrophobicContact CG2-CD1 3.7Å; I73-L77 HydrophobicContact CG2-CG 4.35Å; I73-L77 WeakPolarHBondContact O-CB 3.45Å; I73-L77 VanDerWaalsContact O-CG 3.31Å; I73-L77 WeakPolarHBondContact O-CG 3.23Å; I73-L77 PolarHBondContact O-N 3.35Å; Y74-L77 PolarHBondContact O-N 3.41Å; L77-L91 HydrophobicContact CD2-CD1 4.48Å; L77-L91 HydrophobicContact CD2-CD2 4.1Å; L77-L91 HydrophobicContact CG-CD1 4.42Å |
| 78 | R | 78.6 | Confident | 77.5 | Confident | 177 Ų | 177 | 64.1 Ų | 64.1 | 67% | 0.668 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -94.4 | -35.3 | -171.1 | -175.6 | 64.4 | 176.8 | -167.6 | 1.8 | 114.7 | Y74 | Y74-R78 HydrophobicContact CE2-CB 4.32Å; Y74-R78 HydrophobicContact CE2-CG 4.4Å; Y74-R78 WeakPolarHBondContact O-CB 3.31Å; Y74-R78 PolarHBondContact O-N 2.92Å |
| 79 | Y | 67.6 | Low | 77.2 | Confident | 57 Ų | 57 | 64.2 Ų | 64.2 | 22% | 0.224 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -123.1 | -15.5 | -167.2 | -67.5 | -85.1 | 0 | 0 | 0 | 115.2 | Y74 V75 K81 S327 K330 V331 | Y74-Y79 AromaticContact CE1-CE2 3.87Å; Y74-Y79 HydrophobicContact CE1-CE2 3.87Å; V75-Y79 PolarHBondContact O-N 3.27Å; Y79-K81 PolarHBondContact O-N 3.07Å; Y79-S327 WeakPolarHBondContact CB-OG 3.46Å; Y79-S327 PolarHBondContact O-OG 3.36Å; Y79-K330 HydrophobicContact CD1-CB 4.2Å; Y79-K330 HydrophobicContact CE1-CB 4.16Å; Y79-V331 HydrophobicContact CD2-CG2 3.68Å; Y79-V331 HydrophobicContact CE2-CG2 3.3Å |
| 80 | A | 63.6 | Low | 76.7 | Confident | 30 Ų | 30 | 64.3 Ų | 64.3 | 25% | 0.248 | 31% | 0.308 | C | S | . | . | trans | -70.7 | 96.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | V75 V76 M82 | V75-A80 PolarHBondContact O-N 2.93Å; V76-A80 VanDerWaalsContact O-CB 3.31Å; V76-A80 WeakPolarHBondContact O-CB 3.36Å; A80-M82 VanDerWaalsContact C-N 3.3Å; A80-M82 PolarHBondContact O-N 2.65Å | ||
| 81 | K | 52.3 | Low | 76.5 | Confident | 205 Ų | 205 | 62.9 Ų | 62.9 | 89% | 0.891 | 30% | 0.298 | S | S | * | . | trans | -59.3 | 95.9 | 168.6 | -79.1 | -167.2 | 175 | -170.7 | 0 | 109 | Y79 | Y79-K81 PolarHBondContact O-N 3.07Š| ||
| 82 | M | 52.7 | Low | 76.5 | Confident | 161 Ų | 161 | 61.7 Ų | 61.7 | 79% | 0.793 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 80.6 | 156.6 | 173.8 | -55.6 | -136.7 | -69.9 | 0 | 0 | 119.2 | A80 T84 N87 | A80-M82 VanDerWaalsContact C-N 3.3Å; A80-M82 PolarHBondContact O-N 2.65Å; M82-T84 VanDerWaalsContact C-N 3.29Å; M82-T84 PolarHBondContact O-N 2.86Å; M82-N87 PolarHBondContact O-ND2 3.08Å |
| 83 | K | 62.2 | Low | 76.5 | Confident | 147 Ų | 147 | 61.7 Ų | 61.7 | 64% | 0.639 | 29% | 0.292 | S | S | * | . | trans | -72.7 | 57.7 | -165.8 | -58.5 | 162.8 | -178.3 | 163.9 | 0 | 113 | I88 P164 | K83-I88 HydrophobicContact CB-CD1 4.5Å; K83-P164 HydrophobicContact CB-CB 4.02Å; K83-P164 HydrophobicContact CB-CG 4.43Å; K83-P164 WeakPolarHBondContact O-CB 3.22Å; K83-P164 WeakPolarHBondContact O-CG 3.33Å | ||
| 84 | T | 73.7 | Confident | 76.5 | Confident | 58 Ų | 58 | 60.1 Ų | 60.1 | 36% | 0.356 | 28% | 0.284 | S | S | . | . | trans | -62.7 | 146.1 | 175.5 | 79.7 | 0 | 0 | 0 | 0 | 110.6 | M82 T86 N87 I88 | M82-T84 VanDerWaalsContact C-N 3.29Å; M82-T84 PolarHBondContact O-N 2.86Å; T84-T86 PolarHBondContact O-N 3.43Å; T84-N87 PolarHBondContact O-N 3.36Å; T84-N87 WeakPolarHBondContact OG1-CB 3.43Å; T84-N87 PolarHBondContact OG1-N 2.84Å; T84-N87 PolarHBondContact OG1-ND2 3.32Å; T84-N87 PolarHBondContact OG1-OD1 3.03Å; T84-I88 PolarHBondContact O-N 3.46Å; T84-I88 VanDerWaalsContact O-N 3.09Å | ||
| 85 | V | 75.1 | Confident | 76.7 | Confident | 12 Ų | 12 | 57.6 Ų | 57.6 | 7% | 0.073 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -52.7 | -42.7 | 178.8 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | I88 Y89 R162 A167 | V85-I88 PolarHBondContact O-N 2.72Å; V85-Y89 HydrophobicContact CG1-CD2 3.98Å; V85-Y89 HydrophobicContact CG1-CE2 3.37Å; V85-Y89 WeakPolarHBondContact O-CD2 3.44Å; V85-Y89 PolarHBondContact O-N 3.05Å; V85-R162 WeakPolarHBondContact CG2-O 3.29Å; V85-A167 HydrophobicContact CB-CB 4.2Å; V85-A167 HydrophobicContact CG1-CB 3.86Å; V85-A167 HydrophobicContact CG2-CB 4Å |
| 86 | T | 75.3 | Confident | 77.2 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 21% | 0.209 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65 | -41.3 | 177.5 | -51.2 | 0 | 0 | 0 | 0 | 112.5 | T84 I88 Y89 I90 M262 | T84-T86 PolarHBondContact O-N 3.43Å; T86-I88 VanDerWaalsContact C-N 3.27Å; T86-I88 PolarHBondContact O-N 2.94Å; T86-Y89 PolarHBondContact O-N 3.23Å; T86-I90 HydrophobicContact CG2-CD1 3.96Å; T86-I90 HydrophobicContact CG2-CG1 4.47Å; T86-I90 VanDerWaalsContact O-CG1 3.28Å; T86-I90 WeakPolarHBondContact O-CG1 3.42Å; T86-I90 PolarHBondContact O-N 3.29Å; T86-M262 HydrophobicContact CG2-CE 4.37Å |
| 87 | N | 79.1 | Confident | 77.7 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 10% | 0.102 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -32.2 | 176.8 | -63.9 | -14.1 | 0 | 0 | 0 | 112 | V76 M82 T84 L91 | V76-N87 HydrophobicContact CG1-CB 4.24Å; M82-N87 PolarHBondContact O-ND2 3.08Å; T84-N87 PolarHBondContact O-N 3.36Å; T84-N87 WeakPolarHBondContact OG1-CB 3.43Å; T84-N87 PolarHBondContact OG1-N 2.84Å; T84-N87 PolarHBondContact OG1-ND2 3.32Å; T84-N87 PolarHBondContact OG1-OD1 3.03Å; N87-L91 WeakPolarHBondContact O-CB 3.49Å; N87-L91 PolarHBondContact O-N 2.86Å |
| 88 | I | 83 | Confident | 78.1 | Confident | 20 Ų | 20 | 51.9 Ų | 51.9 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.2 | -49.4 | 174.6 | -66.1 | 164.8 | 0 | 0 | 0 | 109.8 | K83 T84 V85 T86 I90 L91 N92 P164 A167 K168 | K83-I88 HydrophobicContact CB-CD1 4.5Å; T84-I88 PolarHBondContact O-N 3.46Å; T84-I88 VanDerWaalsContact O-N 3.09Å; V85-I88 PolarHBondContact O-N 2.72Å; T86-I88 VanDerWaalsContact C-N 3.27Å; T86-I88 PolarHBondContact O-N 2.94Å; I88-I90 PolarHBondContact O-N 3.12Å; I88-L91 PolarHBondContact O-N 3.1Å; I88-N92 PolarHBondContact O-N 2.99Å; I88-N92 PolarHBondContact O-ND2 3.11Å; I88-P164 HydrophobicContact CD1-CB 4.07Å; I88-A167 HydrophobicContact CD1-CB 3.92Å; I88-A167 HydrophobicContact CG2-CB 4.42Å; I88-K168 HydrophobicContact CD1-CG 4.23Å |
| 89 | Y | 82.4 | Confident | 78.7 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 6% | 0.055 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.5 | -38 | 178.9 | -60.8 | -42.3 | 0 | 0 | 0 | 113.1 | V85 T86 L91 N92 L93 V143 M144 A167 | V85-Y89 HydrophobicContact CG1-CD2 3.98Å; V85-Y89 HydrophobicContact CG1-CE2 3.37Å; V85-Y89 WeakPolarHBondContact O-CD2 3.44Å; V85-Y89 PolarHBondContact O-N 3.05Å; T86-Y89 PolarHBondContact O-N 3.23Å; Y89-L91 VanDerWaalsContact C-N 3.34Å; Y89-L91 PolarHBondContact O-N 3.29Å; Y89-N92 PolarHBondContact O-N 3.17Å; Y89-L93 PolarHBondContact O-N 3.09Å; Y89-V143 HydrophobicContact CE1-CG1 3.76Å; Y89-V143 HydrophobicContact CE2-CG1 3.95Å; Y89-V143 VanDerWaalsContact CZ-CG1 3.42Å; Y89-V143 WeakPolarHBondContact OH-CG1 3.14Å; Y89-M144 HydrophobicContact CD2-CG 3.7Å; Y89-M144 HydrophobicContact CE2-CG 4.5Å; Y89-M144 HydrophobicContact CG-CG 4.03Å; Y89-A167 HydrophobicContact CE1-CB 4.44Å |
| 90 | I | 82 | Confident | 79.9 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.7 | -44.5 | 172.6 | -69.8 | 170.6 | 0 | 0 | 0 | 111.2 | V76 T86 I88 L93 A94 Y317 | V76-I90 HydrophobicContact CG2-CG2 4.08Å; T86-I90 HydrophobicContact CG2-CD1 3.96Å; T86-I90 HydrophobicContact CG2-CG1 4.47Å; T86-I90 VanDerWaalsContact O-CG1 3.28Å; T86-I90 WeakPolarHBondContact O-CG1 3.42Å; T86-I90 PolarHBondContact O-N 3.29Å; I88-I90 PolarHBondContact O-N 3.12Å; I90-L93 PolarHBondContact O-N 2.71Å; I90-A94 WeakPolarHBondContact O-CB 3.14Å; I90-A94 PolarHBondContact O-N 3.21Å; I90-Y317 HydrophobicContact CB-CE2 4.34Å; I90-Y317 HydrophobicContact CD1-CD1 4.01Å; I90-Y317 HydrophobicContact CD1-CE1 4.12Å; I90-Y317 HydrophobicContact CD1-CG 4.35Å; I90-Y317 HydrophobicContact CG1-CD1 4.09Å; I90-Y317 HydrophobicContact CG1-CD2 4.44Å; I90-Y317 HydrophobicContact CG1-CE1 3.74Å; I90-Y317 HydrophobicContact CG1-CE2 4.1Å; I90-Y317 HydrophobicContact CG1-CG 4.44Å; I90-Y317 HydrophobicContact CG2-CD2 3.83Å; I90-Y317 HydrophobicContact CG2-CE2 3.78Å; I90-Y317 HydrophobicContact CG2-CG 4.38Å |
| 91 | L | 85.6 | Confident | 81.3 | Confident | 44 Ų | 44 | 43.2 Ų | 43.2 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.1 | -41.2 | 178.5 | -177.2 | 64.8 | 0 | 0 | 0 | 112.2 | I73 V76 L77 N87 I88 Y89 V95 | I73-L91 HydrophobicContact CB-CD1 4.3Å; I73-L91 HydrophobicContact CG1-CD1 4.12Å; I73-L91 HydrophobicContact CG2-CD1 4.08Å; V76-L91 HydrophobicContact CG1-CB 4.18Å; L77-L91 HydrophobicContact CD2-CD1 4.48Å; L77-L91 HydrophobicContact CD2-CD2 4.1Å; L77-L91 HydrophobicContact CG-CD1 4.42Å; N87-L91 WeakPolarHBondContact O-CB 3.49Å; N87-L91 PolarHBondContact O-N 2.86Å; I88-L91 PolarHBondContact O-N 3.1Å; Y89-L91 VanDerWaalsContact C-N 3.34Å; Y89-L91 PolarHBondContact O-N 3.29Å; L91-V95 HydrophobicContact CD1-CG2 4.49Å; L91-V95 VanDerWaalsContact O-CG2 3.29Å; L91-V95 WeakPolarHBondContact O-CG2 3.39Å; L91-V95 PolarHBondContact O-N 3.42Å |
| 92 | N | 87 | Confident | 83.1 | Confident | 28 Ų | 28 | 37.2 Ų | 37.2 | 15% | 0.15 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.8 | -42.3 | 177.7 | -77.3 | -92.6 | 0 | 0 | 0 | 111.5 | I88 Y89 V95 A96 S171 W175 | I88-N92 PolarHBondContact O-N 2.99Å; I88-N92 PolarHBondContact O-ND2 3.11Å; Y89-N92 PolarHBondContact O-N 3.17Å; N92-V95 PolarHBondContact O-N 3.36Å; N92-A96 PolarHBondContact O-N 2.87Å; N92-S171 PolarHBondContact ND2-OG 3.41Å; N92-W175 PolarHBondContact OD1-NE1 3.47Å |
| 93 | L | 85.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64 | -48.6 | 177.5 | -166 | 70.3 | 0 | 0 | 0 | 111.1 | Y89 I90 V95 A96 D97 S137 C140 N313 Y317 | Y89-L93 PolarHBondContact O-N 3.09Å; I90-L93 PolarHBondContact O-N 2.71Å; L93-V95 VanDerWaalsContact C-N 3.27Å; L93-V95 PolarHBondContact O-N 2.88Å; L93-A96 PolarHBondContact O-N 3.47Å; L93-A96 VanDerWaalsContact O-N 3.09Å; L93-D97 WeakPolarHBondContact O-CB 3.46Å; L93-D97 PolarHBondContact O-N 3.42Å; L93-S137 VanDerWaalsContact CD1-OG 3.26Å; L93-S137 WeakPolarHBondContact CD1-OG 3.31Å; L93-C140 HydrophobicContact CD1-CB 4.46Å; L93-N313 HydrophobicContact CD2-CB 4.15Å; L93-N313 WeakPolarHBondContact CD2-ND2 3.38Å; L93-Y317 WeakPolarHBondContact CD2-OH 3.35Å |
| 94 | A | 89.6 | Confident | 86.2 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61 | -33.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | N69 A72 I73 I90 E98 | N69-A94 HydrophobicContact CB-CB 4.47Å; A72-A94 HydrophobicContact CB-CB 4.16Å; I73-A94 HydrophobicContact CD1-CB 4.4Å; I73-A94 HydrophobicContact CG1-CB 3.82Å; I90-A94 WeakPolarHBondContact O-CB 3.14Å; I90-A94 PolarHBondContact O-N 3.21Å; A94-E98 WeakPolarHBondContact O-CB 3.49Å; A94-E98 PolarHBondContact O-N 2.76Å |
| 95 | V | 90.7 | Very high | 87.1 | Confident | 56 Ų | 56 | 22.3 Ų | 22.3 | 34% | 0.339 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -70.1 | -40.7 | 173.8 | 169 | 0 | 0 | 0 | 0 | 111.9 | I73 L91 N92 L93 L99 W175 | I73-V95 HydrophobicContact CD1-CG2 4Å; I73-V95 HydrophobicContact CG1-CG2 4.27Å; L91-V95 HydrophobicContact CD1-CG2 4.49Å; L91-V95 VanDerWaalsContact O-CG2 3.29Å; L91-V95 WeakPolarHBondContact O-CG2 3.39Å; L91-V95 PolarHBondContact O-N 3.42Å; N92-V95 PolarHBondContact O-N 3.36Å; L93-V95 VanDerWaalsContact C-N 3.27Å; L93-V95 PolarHBondContact O-N 2.88Å; V95-L99 HydrophobicContact CG1-CD1 4.45Å; V95-L99 WeakPolarHBondContact O-CG 3.38Å; V95-L99 PolarHBondContact O-N 3.31Å; V95-W175 HydrophobicContact CB-CZ2 4.47Å; V95-W175 HydrophobicContact CG1-CH2 4.17Å; V95-W175 HydrophobicContact CG1-CZ2 4.08Å |
| 96 | A | 91.4 | Very high | 87.8 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 2% | 0.017 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.5 | -41.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N92 L93 L99 Y100 N133 T136 W175 | N92-A96 PolarHBondContact O-N 2.87Å; L93-A96 PolarHBondContact O-N 3.47Å; L93-A96 VanDerWaalsContact O-N 3.09Å; A96-L99 PolarHBondContact O-N 3.45Å; A96-Y100 WeakPolarHBondContact O-CB 3.37Å; A96-Y100 PolarHBondContact O-N 3.34Å; A96-N133 VanDerWaalsContact CB-OD1 3.24Å; A96-N133 WeakPolarHBondContact CB-OD1 3.4Å; A96-T136 HydrophobicContact CB-CG2 3.88Å; A96-W175 HydrophobicContact CB-CH2 3.79Å; A96-W175 HydrophobicContact CB-CZ2 4.12Å |
| 97 | D | 91.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.3 | -33.6 | 176.2 | -85.7 | -29.4 | 0 | 0 | 0 | 113.4 | L93 Y100 I101 N133 S310 N313 | L93-D97 WeakPolarHBondContact O-CB 3.46Å; L93-D97 PolarHBondContact O-N 3.42Å; D97-Y100 WeakPolarHBondContact O-CB 3.45Å; D97-I101 VanDerWaalsContact O-CG1 3.31Å; D97-I101 WeakPolarHBondContact O-CG1 3.47Å; D97-I101 PolarHBondContact O-N 2.93Å; D97-I101 VanDerWaalsContact O-N 3.11Å; D97-N133 PolarHBondContact OD1-ND2 3.5Å; D97-S310 WeakPolarHBondContact CB-OG 3.32Å; D97-S310 PolarHBondContact O-OG 3.15Å; D97-S310 WeakPolarHBondContact OD1-CA 3.48Å; D97-S310 WeakPolarHBondContact OD1-CB 3.28Å; D97-N313 PolarHBondContact OD2-ND2 2.72Å |
| 98 | E | 91.8 | Very high | 88.6 | Confident | 22 Ų | 22 | 23.7 Ų | 23.7 | 10% | 0.103 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.2 | -46.7 | 173.4 | -164.3 | 82.7 | 173.8 | 0 | 0 | 110.8 | L66 N69 T70 I73 A94 Y100 I101 I102 | L66-E98 VanDerWaalsContact CD1-OE1 3.27Å; L66-E98 WeakPolarHBondContact CD1-OE1 3.44Å; N69-E98 WeakPolarHBondContact CB-OE2 3.28Å; T70-E98 PolarHBondContact N-OE2 3.48Å; T70-E98 VanDerWaalsContact N-OE2 3.12Å; T70-E98 PolarHBondContact OG1-OE1 2.87Å; I73-E98 HydrophobicContact CD1-CB 4.45Å; A94-E98 WeakPolarHBondContact O-CB 3.49Å; A94-E98 PolarHBondContact O-N 2.76Å; E98-Y100 VanDerWaalsContact C-N 3.27Å; E98-Y100 PolarHBondContact O-N 3.42Å; E98-I101 PolarHBondContact O-N 2.9Å; E98-I102 HydrophobicContact CG-CD1 4.05Å; E98-I102 VanDerWaalsContact O-CG1 3.27Å; E98-I102 WeakPolarHBondContact O-CG1 3.03Å; E98-I102 PolarHBondContact O-N 3.12Å |
| 99 | L | 91.4 | Very high | 88.8 | Confident | 79 Ų | 79 | 25 Ų | 25 | 41% | 0.414 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -60.6 | -37.2 | 176.6 | -69.5 | 172.1 | 0 | 0 | 0 | 111.9 | V95 A96 G103 W175 | V95-L99 HydrophobicContact CG1-CD1 4.45Å; V95-L99 WeakPolarHBondContact O-CG 3.38Å; V95-L99 PolarHBondContact O-N 3.31Å; A96-L99 PolarHBondContact O-N 3.45Å; L99-G103 PolarHBondContact O-N 2.98Å; L99-W175 HydrophobicContact CD1-CH2 4.16Å; L99-W175 HydrophobicContact CD1-CZ3 4.39Å |
| 100 | Y | 91.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.008 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.6 | -51 | 174.7 | -166.5 | -134.7 | 0 | 0 | 0 | 112 | A96 D97 E98 I102 G103 D130 N133 W274 S306 Y307 | A96-Y100 WeakPolarHBondContact O-CB 3.37Å; A96-Y100 PolarHBondContact O-N 3.34Å; D97-Y100 WeakPolarHBondContact O-CB 3.45Å; E98-Y100 VanDerWaalsContact C-N 3.27Å; E98-Y100 PolarHBondContact O-N 3.42Å; Y100-I102 VanDerWaalsContact C-N 3.33Å; Y100-I102 PolarHBondContact O-N 3.31Å; Y100-G103 PolarHBondContact O-N 2.86Å; Y100-G103 VanDerWaalsContact O-N 3.14Å; Y100-D130 WeakPolarHBondContact CD2-O 3.48Å; Y100-D130 HydrophobicContact CE2-CB 4.43Å; Y100-D130 WeakPolarHBondContact CE2-O 3.4Å; Y100-D130 WeakPolarHBondContact CE2-OD1 3.21Å; Y100-N133 VanDerWaalsContact CB-ND2 3.32Å; Y100-N133 WeakPolarHBondContact CB-ND2 3.07Å; Y100-N133 HydrophobicContact CD1-CB 4.43Å; Y100-N133 WeakPolarHBondContact CD1-ND2 3.45Å; Y100-N133 HydrophobicContact CD2-CB 3.66Å; Y100-N133 HydrophobicContact CE2-CB 4.48Å; Y100-N133 HydrophobicContact CG-CB 3.69Å; Y100-W274 HydrophobicContact CE1-CZ2 4.33Å; Y100-W274 HydrophobicContact CE2-CH2 4.43Å; Y100-W274 AromaticContact CZ-CH2 3.89Å; Y100-W274 WeakPolarHBondContact OH-CH2 3.4Å; Y100-S306 PolarHBondContact OH-OG 3.45Å; Y100-S306 VanDerWaalsContact OH-OG 3.13Å; Y100-Y307 AromaticContact CD1-CD1 3.79Å; Y100-Y307 HydrophobicContact CD1-CD1 3.79Å; Y100-Y307 HydrophobicContact CD1-CE1 4.18Å; Y100-Y307 HydrophobicContact CD2-CE1 4.06Å; Y100-Y307 AromaticContact CE1-CD1 3.32Å; Y100-Y307 HydrophobicContact CE1-CD1 3.32Å; Y100-Y307 AromaticContact CE1-CE1 3.72Å; Y100-Y307 HydrophobicContact CE1-CE1 3.72Å; Y100-Y307 HydrophobicContact CE1-CG 4.11Å; Y100-Y307 HydrophobicContact CE2-CD1 4.06Å; Y100-Y307 AromaticContact CE2-CE1 3.53Å; Y100-Y307 HydrophobicContact CE2-CE1 3.53Å; Y100-Y307 HydrophobicContact CG-CD1 4.35Å; Y100-Y307 HydrophobicContact CG-CE1 4.32Å; Y100-Y307 AromaticContact CZ-CD1 3.4Å; Y100-Y307 AromaticContact CZ-CE1 3.29Å; Y100-Y307 WeakPolarHBondContact OH-CE1 3.43Å |
| 101 | I | 92.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.5 | -32.3 | -177.6 | -69.8 | -68.9 | 0 | 0 | 0 | 111.8 | V61 F62 L66 D97 E98 G103 L104 P105 S310 | V61-I101 HydrophobicContact CG1-CD1 4.07Å; F62-I101 HydrophobicContact CD2-CG2 3.53Å; F62-I101 VanDerWaalsContact CD2-O 3.32Å; F62-I101 WeakPolarHBondContact CD2-O 3.4Å; F62-I101 HydrophobicContact CE2-CG2 4.04Å; F62-I101 HydrophobicContact CG-CG2 4.29Å; L66-I101 HydrophobicContact CB-CG2 4.21Å; D97-I101 VanDerWaalsContact O-CG1 3.31Å; D97-I101 WeakPolarHBondContact O-CG1 3.47Å; D97-I101 PolarHBondContact O-N 2.93Å; D97-I101 VanDerWaalsContact O-N 3.11Å; E98-I101 PolarHBondContact O-N 2.9Å; I101-G103 PolarHBondContact O-N 2.77Å; I101-L104 WeakPolarHBondContact O-CB 3.28Å; I101-L104 PolarHBondContact O-N 2.94Å; I101-L104 VanDerWaalsContact O-N 3.14Å; I101-P105 WeakPolarHBondContact O-CD 3.37Å; I101-S310 WeakPolarHBondContact CG1-OG 3.4Å |
| 102 | I | 91.9 | Very high | 88.6 | Confident | 80 Ų | 80 | 28 Ų | 28 | 41% | 0.41 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.9 | -27.1 | 173.8 | -71.2 | 165.4 | 0 | 0 | 0 | 112.2 | L66 E98 Y100 P105 F106 | L66-I102 HydrophobicContact CD1-CG1 4.2Å; E98-I102 HydrophobicContact CG-CD1 4.05Å; E98-I102 VanDerWaalsContact O-CG1 3.27Å; E98-I102 WeakPolarHBondContact O-CG1 3.03Å; E98-I102 PolarHBondContact O-N 3.12Å; Y100-I102 VanDerWaalsContact C-N 3.33Å; Y100-I102 PolarHBondContact O-N 3.31Å; I102-P105 WeakPolarHBondContact O-CD 3.48Å; I102-F106 WeakPolarHBondContact O-CD2 3.39Å; I102-F106 WeakPolarHBondContact O-CE2 3.14Å |
| 103 | G | 89.9 | Confident | 88.4 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -72.7 | -28 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L99 Y100 I101 F106 L107 | L99-G103 PolarHBondContact O-N 2.98Å; Y100-G103 PolarHBondContact O-N 2.86Å; Y100-G103 VanDerWaalsContact O-N 3.14Å; I101-G103 PolarHBondContact O-N 2.77Å; G103-F106 PolarHBondContact O-N 3.43Å; G103-F106 VanDerWaalsContact O-N 3.15Å; G103-L107 PolarHBondContact O-N 3.15Å |
| 104 | L | 89.9 | Confident | 88.2 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.7 | -40.8 | -170.5 | -176.6 | 60.2 | 0 | 0 | 0 | 114.7 | Y58 V61 F62 I101 F106 L107 T108 Y307 | Y58-L104 HydrophobicContact CD1-CD1 3.71Å; Y58-L104 HydrophobicContact CD1-CD2 4.22Å; Y58-L104 HydrophobicContact CD1-CG 4.37Å; Y58-L104 HydrophobicContact CE1-CD1 3.95Å; Y58-L104 HydrophobicContact CG-CD1 4.09Å; V61-L104 HydrophobicContact CB-CD2 4.32Å; V61-L104 HydrophobicContact CG1-CD2 4Å; F62-L104 HydrophobicContact CB-CD2 4.3Å; I101-L104 WeakPolarHBondContact O-CB 3.28Å; I101-L104 PolarHBondContact O-N 2.94Å; I101-L104 VanDerWaalsContact O-N 3.14Å; L104-F106 PolarHBondContact O-N 3.3Å; L104-L107 PolarHBondContact O-N 3.46Å; L104-T108 VanDerWaalsContact O-CB 3.32Å; L104-T108 WeakPolarHBondContact O-CB 3.07Å; L104-T108 PolarHBondContact O-N 3.48Å; L104-T108 PolarHBondContact O-OG1 3.49Å; L104-Y307 HydrophobicContact CB-CE1 4.48Å; L104-Y307 HydrophobicContact CD1-CD1 4.14Å; L104-Y307 HydrophobicContact CD1-CD2 3.74Å; L104-Y307 HydrophobicContact CD1-CE1 4.09Å; L104-Y307 HydrophobicContact CD1-CE2 3.65Å; L104-Y307 HydrophobicContact CD1-CG 4.01Å; L104-Y307 HydrophobicContact CD2-CD1 4.45Å; L104-Y307 HydrophobicContact CD2-CG 4.33Å |
| 105 | P | 90.9 | Very high | 88 | Confident | 47 Ų | 47 | 37.3 Ų | 37.3 | 31% | 0.305 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61 | -41.3 | 175.7 | -25.3 | 35.9 | 0 | 0 | 0 | 113.2 | F62 I101 I102 T108 T109 | F62-P105 HydrophobicContact CD2-CG 3.63Å; F62-P105 HydrophobicContact CE2-CG 3.5Å; F62-P105 VanDerWaalsContact CE2-CG 3.5Å; F62-P105 HydrophobicContact CG-CG 4.29Å; F62-P105 HydrophobicContact CZ-CG 4.05Å; I101-P105 WeakPolarHBondContact O-CD 3.37Å; I102-P105 WeakPolarHBondContact O-CD 3.48Å; P105-T108 WeakPolarHBondContact O-CB 3.5Å; P105-T108 PolarHBondContact O-N 3.26Å; P105-T109 PolarHBondContact O-N 2.99Å; P105-T109 PolarHBondContact O-OG1 2.98Å; P105-T109 VanDerWaalsContact O-OG1 3.1Å |
| 106 | F | 91.1 | Very high | 88 | Confident | 58 Ų | 58 | 35.1 Ų | 35.1 | 25% | 0.254 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.4 | -43.9 | -179 | -58.9 | -82.9 | 0 | 0 | 0 | 111.6 | I102 G103 L104 T108 T109 Q110 W116 F118 L122 V126 | I102-F106 WeakPolarHBondContact O-CD2 3.39Å; I102-F106 WeakPolarHBondContact O-CE2 3.14Å; G103-F106 PolarHBondContact O-N 3.43Å; G103-F106 VanDerWaalsContact O-N 3.15Å; L104-F106 PolarHBondContact O-N 3.3Å; F106-T108 VanDerWaalsContact C-N 3.33Å; F106-T109 PolarHBondContact O-N 3.01Å; F106-Q110 PolarHBondContact O-N 3.4Å; F106-Q110 VanDerWaalsContact O-N 3.11Å; F106-W116 HydrophobicContact CB-CH2 3.65Å; F106-W116 HydrophobicContact CB-CZ3 3.84Å; F106-F118 HydrophobicContact CB-CD2 4.38Å; F106-F118 HydrophobicContact CB-CE2 4.02Å; F106-F118 HydrophobicContact CD1-CD1 4.05Å; F106-F118 AromaticContact CD1-CD2 3.95Å; F106-F118 HydrophobicContact CD1-CD2 3.95Å; F106-F118 AromaticContact CD1-CE1 3.86Å; F106-F118 HydrophobicContact CD1-CE1 3.86Å; F106-F118 AromaticContact CD1-CE2 3.77Å; F106-F118 HydrophobicContact CD1-CE2 3.77Å; F106-F118 HydrophobicContact CD1-CG 4.08Å; F106-F118 AromaticContact CD1-CZ 3.71Å; F106-F118 HydrophobicContact CD1-CZ 3.71Å; F106-F118 HydrophobicContact CE1-CD1 4.32Å; F106-F118 HydrophobicContact CE1-CE1 4.2Å; F106-F118 HydrophobicContact CE1-CZ 4.45Å; F106-F118 HydrophobicContact CG-CE2 4.4Å; F106-L122 HydrophobicContact CD1-CD2 3.6Å; F106-L122 HydrophobicContact CE1-CD2 3.45Å; F106-L122 VanDerWaalsContact CE1-CD2 3.45Å; F106-L122 HydrophobicContact CG-CD2 4.42Å; F106-L122 HydrophobicContact CZ-CD2 4.15Å; F106-V126 HydrophobicContact CB-CG1 4.41Å; F106-V126 HydrophobicContact CB-CG2 4.17Å; F106-V126 HydrophobicContact CD2-CG2 4Å; F106-V126 HydrophobicContact CG-CG2 4.14Å |
| 107 | L | 86.7 | Confident | 88 | Confident | 14 Ų | 14 | 38 Ų | 38 | 7% | 0.073 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.9 | -39.8 | 174.1 | -64.1 | 172.2 | 0 | 0 | 0 | 111.1 | F25 G103 L104 Q110 N111 W116 V126 M127 Y307 | F25-L107 HydrophobicContact CE1-CD2 4.34Å; G103-L107 PolarHBondContact O-N 3.15Å; L104-L107 PolarHBondContact O-N 3.46Å; L107-Q110 PolarHBondContact O-N 3.46Å; L107-N111 PolarHBondContact O-N 3.34Å; L107-N111 PolarHBondContact O-ND2 3.46Å; L107-W116 HydrophobicContact CD2-CZ3 4.48Å; L107-V126 HydrophobicContact CD1-CG1 4.14Å; L107-V126 HydrophobicContact CD2-CG1 3.92Å; L107-V126 HydrophobicContact CG-CG1 3.76Å; L107-M127 HydrophobicContact CD2-SD 4.41Å; L107-Y307 WeakPolarHBondContact CD1-OH 3.2Å |
| 108 | T | 85.2 | Confident | 88.1 | Confident | 21 Ų | 21 | 41.4 Ų | 41.4 | 13% | 0.129 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.3 | -42.7 | 174.2 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | Y58 L104 P105 F106 Q110 N111 V112 | Y58-T108 HydrophobicContact CD2-CG2 3.92Å; Y58-T108 VanDerWaalsContact CD2-OG1 3.3Å; Y58-T108 WeakPolarHBondContact CD2-OG1 3.19Å; L104-T108 VanDerWaalsContact O-CB 3.32Å; L104-T108 WeakPolarHBondContact O-CB 3.07Å; L104-T108 PolarHBondContact O-N 3.48Å; L104-T108 PolarHBondContact O-OG1 3.49Å; P105-T108 WeakPolarHBondContact O-CB 3.5Å; P105-T108 PolarHBondContact O-N 3.26Å; F106-T108 VanDerWaalsContact C-N 3.33Å; T108-Q110 PolarHBondContact O-N 2.86Å; T108-N111 WeakPolarHBondContact O-CB 3.42Å; T108-N111 PolarHBondContact O-N 3.5Å; T108-V112 HydrophobicContact CG2-CG2 4.43Å; T108-V112 WeakPolarHBondContact O-CG2 3.34Å; T108-V112 PolarHBondContact O-N 3.1Å |
| 109 | T | 85.9 | Confident | 88.2 | Confident | 49 Ų | 49 | 42 Ų | 42 | 30% | 0.301 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 175.8 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | P105 F106 N111 V112 L113 P117 F118 | P105-T109 PolarHBondContact O-N 2.99Å; P105-T109 PolarHBondContact O-OG1 2.98Å; P105-T109 VanDerWaalsContact O-OG1 3.1Å; F106-T109 PolarHBondContact O-N 3.01Å; T109-N111 VanDerWaalsContact C-N 3.33Å; T109-N111 PolarHBondContact O-N 2.86Å; T109-V112 PolarHBondContact O-N 3.02Å; T109-L113 HydrophobicContact CG2-CD1 3.54Å; T109-L113 HydrophobicContact CG2-CG 4.1Å; T109-L113 WeakPolarHBondContact O-CB 3.32Å; T109-L113 WeakPolarHBondContact O-CG 3.3Å; T109-L113 PolarHBondContact O-N 3.37Å; T109-P117 HydrophobicContact CG2-CG 4.09Å; T109-F118 HydrophobicContact CG2-CE2 3.95Å; T109-F118 HydrophobicContact CG2-CZ 3.68Å |
| 110 | Q | 85.2 | Confident | 88.3 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.5 | -32.1 | 176.1 | 172.7 | -165.7 | -41 | 0 | 0 | 112.5 | F25 F106 L107 T108 S114 Y115 W116 | F25-Q110 HydrophobicContact CE1-CG 4.32Å; F25-Q110 HydrophobicContact CE2-CB 4.32Å; F25-Q110 HydrophobicContact CE2-CG 3.7Å; F25-Q110 HydrophobicContact CZ-CB 3.67Å; F25-Q110 HydrophobicContact CZ-CG 3.31Å; F106-Q110 PolarHBondContact O-N 3.4Å; F106-Q110 VanDerWaalsContact O-N 3.11Å; L107-Q110 PolarHBondContact O-N 3.46Å; T108-Q110 PolarHBondContact O-N 2.86Å; Q110-S114 WeakPolarHBondContact O-CA 3.48Å; Q110-S114 PolarHBondContact O-N 2.94Å; Q110-Y115 WeakPolarHBondContact CA-O 3.46Å; Q110-Y115 WeakPolarHBondContact CB-O 3.35Å; Q110-W116 HydrophobicContact CB-CE3 3.86Å; Q110-W116 HydrophobicContact CG-CB 4.32Å; Q110-W116 HydrophobicContact CG-CE3 4.47Å |
| 111 | N | 79.1 | Confident | 88.4 | Confident | 45 Ų | 45 | 48 Ų | 48 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 172.4 | -84.7 | -84.8 | 0 | 0 | 0 | 112.1 | F25 L107 T108 T109 | F25-N111 WeakPolarHBondContact CD2-OD1 3.44Å; F25-N111 WeakPolarHBondContact CE1-ND2 3.39Å; F25-N111 HydrophobicContact CE2-CB 4.04Å; F25-N111 VanDerWaalsContact CE2-ND2 3.34Å; F25-N111 WeakPolarHBondContact CE2-ND2 3.28Å; F25-N111 WeakPolarHBondContact CE2-OD1 3.35Å; F25-N111 HydrophobicContact CZ-CB 4.35Å; F25-N111 WeakPolarHBondContact CZ-ND2 3.41Å; L107-N111 PolarHBondContact O-N 3.34Å; L107-N111 PolarHBondContact O-ND2 3.46Å; T108-N111 WeakPolarHBondContact O-CB 3.42Å; T108-N111 PolarHBondContact O-N 3.5Å; T109-N111 VanDerWaalsContact C-N 3.33Å; T109-N111 PolarHBondContact O-N 2.86Å |
| 112 | V | 81.4 | Confident | 88.5 | Confident | 75 Ų | 75 | 50.1 Ų | 50.1 | 46% | 0.455 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -73.5 | -40.3 | 179.7 | 173.8 | 0 | 0 | 0 | 0 | 112.1 | T51 T108 T109 | T51-V112 HydrophobicContact CG2-CG2 4.36Å; T108-V112 HydrophobicContact CG2-CG2 4.43Å; T108-V112 WeakPolarHBondContact O-CG2 3.34Å; T108-V112 PolarHBondContact O-N 3.1Å; T109-V112 PolarHBondContact O-N 3.02Å |
| 113 | L | 82.7 | Confident | 88.6 | Confident | 73 Ų | 73 | 46.3 Ų | 46.3 | 38% | 0.382 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -84.4 | -16.2 | -178.2 | -64.2 | -177.7 | 0 | 0 | 0 | 113.7 | T109 Y115 P117 | T109-L113 HydrophobicContact CG2-CD1 3.54Å; T109-L113 HydrophobicContact CG2-CG 4.1Å; T109-L113 WeakPolarHBondContact O-CB 3.32Å; T109-L113 WeakPolarHBondContact O-CG 3.3Å; T109-L113 PolarHBondContact O-N 3.37Å; L113-Y115 HydrophobicContact CB-CD1 3.81Å; L113-Y115 HydrophobicContact CB-CE1 3.74Å; L113-Y115 HydrophobicContact CD1-CE1 4.1Å; L113-Y115 HydrophobicContact CG-CE1 4.34Å; L113-Y115 VanDerWaalsContact O-CD1 3.29Å; L113-Y115 WeakPolarHBondContact O-CD1 3.26Å; L113-Y115 PolarHBondContact O-N 3.14Å; L113-Y115 VanDerWaalsContact O-N 3.15Å; L113-P117 HydrophobicContact CD1-CG 4.14Å |
| 114 | S | 82.2 | Confident | 88.8 | Confident | 44 Ų | 44 | 50.2 Ų | 50.2 | 31% | 0.308 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 59.2 | 7.9 | -167.2 | -59.7 | 0 | 0 | 0 | 0 | 115.7 | S23 Q110 | S23-S114 WeakPolarHBondContact OG-CB 3.37Å; S23-S114 PolarHBondContact OG-OG 3.47Å; Q110-S114 WeakPolarHBondContact O-CA 3.48Å; Q110-S114 PolarHBondContact O-N 2.94Å |
| 115 | Y | 84.7 | Confident | 89 | Confident | 109 Ų | 109 | 53.1 Ų | 53.1 | 43% | 0.427 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -143 | 162.3 | 172.4 | 76.8 | -88.6 | 0 | 0 | 0 | 111.3 | Q110 L113 P117 N196 | Q110-Y115 WeakPolarHBondContact CA-O 3.46Å; Q110-Y115 WeakPolarHBondContact CB-O 3.35Å; L113-Y115 HydrophobicContact CB-CD1 3.81Å; L113-Y115 HydrophobicContact CB-CE1 3.74Å; L113-Y115 HydrophobicContact CD1-CE1 4.1Å; L113-Y115 HydrophobicContact CG-CE1 4.34Å; L113-Y115 VanDerWaalsContact O-CD1 3.29Å; L113-Y115 WeakPolarHBondContact O-CD1 3.26Å; L113-Y115 PolarHBondContact O-N 3.14Å; L113-Y115 VanDerWaalsContact O-N 3.15Å; Y115-P117 HydrophobicContact CE2-CB 3.83Å; Y115-P117 WeakPolarHBondContact O-CD 3.28Å; Y115-N196 CarbonylContact C-O 3.37Å |
| 116 | W | 90.9 | Very high | 89.1 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 4% | 0.038 | 27% | 0.271 | C | S | . | . | trans | -101.2 | 103.9 | -177.4 | -179.1 | -96.7 | 0 | 0 | 0 | 111.6 | F106 L107 Q110 F118 G119 L122 C123 V126 V191 N196 C198 | F106-W116 HydrophobicContact CB-CH2 3.65Å; F106-W116 HydrophobicContact CB-CZ3 3.84Å; L107-W116 HydrophobicContact CD2-CZ3 4.48Å; Q110-W116 HydrophobicContact CB-CE3 3.86Å; Q110-W116 HydrophobicContact CG-CB 4.32Å; Q110-W116 HydrophobicContact CG-CE3 4.47Å; W116-F118 VanDerWaalsContact C-N 3.32Å; W116-F118 AromaticContact CD2-CD2 3.8Å; W116-F118 HydrophobicContact CD2-CD2 3.8Å; W116-F118 AromaticContact CE2-CD2 3.7Å; W116-F118 AromaticContact CE3-CD2 3.86Å; W116-F118 HydrophobicContact CE3-CD2 3.86Å; W116-F118 HydrophobicContact CE3-CE2 4.34Å; W116-F118 AromaticContact CH2-CD2 3.87Å; W116-F118 HydrophobicContact CH2-CD2 3.87Å; W116-F118 HydrophobicContact CZ2-CB 3.86Å; W116-F118 AromaticContact CZ2-CD2 3.72Å; W116-F118 HydrophobicContact CZ2-CD2 3.72Å; W116-F118 HydrophobicContact CZ2-CG 4.23Å; W116-F118 AromaticContact CZ3-CD2 3.93Å; W116-F118 HydrophobicContact CZ3-CD2 3.93Å; W116-F118 HydrophobicContact CZ3-CE2 4.3Å; W116-F118 PolarHBondContact O-N 2.86Å; W116-G119 PolarHBondContact NE1-O 2.91Å; W116-L122 VanDerWaalsContact CZ2-C 3.5Å; W116-L122 HydrophobicContact CZ2-CB 4.06Å; W116-L122 HydrophobicContact CZ2-CD2 4.5Å; W116-L122 HydrophobicContact CZ2-CG 4.14Å; W116-C123 VanDerWaalsContact CZ2-CA 3.46Å; W116-C123 HydrophobicContact CZ2-CB 4.12Å; W116-C123 VanDerWaalsContact CZ2-N 3.32Å; W116-V126 HydrophobicContact CH2-CB 3.98Å; W116-V126 HydrophobicContact CH2-CG1 4.17Å; W116-V126 HydrophobicContact CH2-CG2 4.02Å; W116-V191 HydrophobicContact CG-CG2 4.28Å; W116-N196 PolarHBondContact N-O 3.41Å; W116-C198 HydrophobicContact CB-CB 4.15Å; W116-C198 HydrophobicContact CD2-CB 3.68Å; W116-C198 HydrophobicContact CE3-CB 3.88Å; W116-C198 HydrophobicContact CG-CB 3.82Å; W116-C198 HydrophobicContact CZ3-CB 4.49Å | ||
| 117 | P | 92 | Very high | 89.2 | Confident | 62 Ų | 62 | 49.6 Ų | 49.6 | 40% | 0.403 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -10.9 | -176.9 | 30.7 | -36.1 | 0 | 0 | 0 | 114.3 | T109 L113 Y115 | T109-P117 HydrophobicContact CG2-CG 4.09Å; L113-P117 HydrophobicContact CD1-CG 4.14Å; Y115-P117 HydrophobicContact CE2-CB 3.83Å; Y115-P117 WeakPolarHBondContact O-CD 3.28Å |
| 118 | F | 93.4 | Very high | 89.5 | Confident | 72 Ų | 72 | 49.6 Ų | 49.6 | 32% | 0.316 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 4.5 | -164.6 | -43.3 | -79.7 | 0 | 0 | 0 | 115.4 | F106 T109 W116 L122 | F106-F118 HydrophobicContact CB-CD2 4.38Å; F106-F118 HydrophobicContact CB-CE2 4.02Å; F106-F118 HydrophobicContact CD1-CD1 4.05Å; F106-F118 AromaticContact CD1-CD2 3.95Å; F106-F118 HydrophobicContact CD1-CD2 3.95Å; F106-F118 AromaticContact CD1-CE1 3.86Å; F106-F118 HydrophobicContact CD1-CE1 3.86Å; F106-F118 AromaticContact CD1-CE2 3.77Å; F106-F118 HydrophobicContact CD1-CE2 3.77Å; F106-F118 HydrophobicContact CD1-CG 4.08Å; F106-F118 AromaticContact CD1-CZ 3.71Å; F106-F118 HydrophobicContact CD1-CZ 3.71Å; F106-F118 HydrophobicContact CE1-CD1 4.32Å; F106-F118 HydrophobicContact CE1-CE1 4.2Å; F106-F118 HydrophobicContact CE1-CZ 4.45Å; F106-F118 HydrophobicContact CG-CE2 4.4Å; T109-F118 HydrophobicContact CG2-CE2 3.95Å; T109-F118 HydrophobicContact CG2-CZ 3.68Å; W116-F118 VanDerWaalsContact C-N 3.32Å; W116-F118 AromaticContact CD2-CD2 3.8Å; W116-F118 HydrophobicContact CD2-CD2 3.8Å; W116-F118 AromaticContact CE2-CD2 3.7Å; W116-F118 AromaticContact CE3-CD2 3.86Å; W116-F118 HydrophobicContact CE3-CD2 3.86Å; W116-F118 HydrophobicContact CE3-CE2 4.34Å; W116-F118 AromaticContact CH2-CD2 3.87Å; W116-F118 HydrophobicContact CH2-CD2 3.87Å; W116-F118 HydrophobicContact CZ2-CB 3.86Å; W116-F118 AromaticContact CZ2-CD2 3.72Å; W116-F118 HydrophobicContact CZ2-CD2 3.72Å; W116-F118 HydrophobicContact CZ2-CG 4.23Å; W116-F118 AromaticContact CZ3-CD2 3.93Å; W116-F118 HydrophobicContact CZ3-CD2 3.93Å; W116-F118 HydrophobicContact CZ3-CE2 4.3Å; W116-F118 PolarHBondContact O-N 2.86Å; F118-L122 HydrophobicContact CB-CB 4.02Å; F118-L122 HydrophobicContact CB-CD2 3.54Å; F118-L122 HydrophobicContact CB-CG 4.29Å; F118-L122 HydrophobicContact CD1-CD2 4.27Å; F118-L122 HydrophobicContact CG-CD2 3.94Å |
| 119 | G | 93.1 | Very high | 89.8 | Confident | 35 Ų | 35 | 49.6 Ų | 49.6 | 36% | 0.361 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | 72.8 | 169.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | W116 F121 L122 C123 | W116-G119 PolarHBondContact NE1-O 2.91Å; G119-F121 PolarHBondContact O-N 3.34Å; G119-L122 PolarHBondContact O-N 3.4Å; G119-C123 PolarHBondContact O-N 3.15Å; G119-C123 VanDerWaalsContact O-N 3.13Å |
| 120 | S | 92.9 | Very high | 90 | Very high | 44 Ų | 44 | 48.9 Ų | 48.9 | 31% | 0.308 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -55.7 | -45.1 | -173.5 | 179.3 | 0 | 0 | 0 | 0 | 114.2 | L122 C123 R124 D190 | S120-L122 PolarHBondContact O-N 3.41Å; S120-C123 WeakPolarHBondContact O-CB 3.39Å; S120-C123 PolarHBondContact O-N 3.29Å; S120-R124 WeakPolarHBondContact O-CG 3.43Å; S120-R124 PolarHBondContact O-N 3.43Å; S120-R124 PolarHBondContact OG-NE 2.97Å; S120-D190 WeakPolarHBondContact CB-OD1 3.38Å; S120-D190 VanDerWaalsContact OG-CG 3.24Å; S120-D190 PolarHBondContact OG-OD1 3Å; S120-D190 PolarHBondContact OG-OD2 3.39Å |
| 121 | F | 94.5 | Very high | 90.2 | Very high | 162 Ų | 162 | 49.7 Ų | 49.7 | 71% | 0.711 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.1 | -48.8 | -177.9 | 175.1 | -100.3 | 0 | 0 | 0 | 112.1 | G119 C123 R124 V125 | G119-F121 PolarHBondContact O-N 3.34Å; F121-C123 VanDerWaalsContact C-N 3.33Å; F121-C123 PolarHBondContact O-N 2.93Å; F121-R124 PolarHBondContact O-N 3.48Å; F121-V125 HydrophobicContact CD1-CG2 4.43Å; F121-V125 HydrophobicContact CE1-CG2 3.96Å; F121-V125 HydrophobicContact CE2-CG2 4.11Å; F121-V125 HydrophobicContact CZ-CG2 3.79Å; F121-V125 WeakPolarHBondContact O-CG2 3.45Å; F121-V125 PolarHBondContact O-N 2.87Å |
| 122 | L | 94.1 | Very high | 90.8 | Very high | 45 Ų | 45 | 49.1 Ų | 49.1 | 24% | 0.236 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72.4 | -30.6 | -179.2 | -162.7 | 64 | 0 | 0 | 0 | 111.7 | F106 W116 F118 G119 S120 V125 V126 | F106-L122 HydrophobicContact CD1-CD2 3.6Å; F106-L122 HydrophobicContact CE1-CD2 3.45Å; F106-L122 VanDerWaalsContact CE1-CD2 3.45Å; F106-L122 HydrophobicContact CG-CD2 4.42Å; F106-L122 HydrophobicContact CZ-CD2 4.15Å; W116-L122 VanDerWaalsContact CZ2-C 3.5Å; W116-L122 HydrophobicContact CZ2-CB 4.06Å; W116-L122 HydrophobicContact CZ2-CD2 4.5Å; W116-L122 HydrophobicContact CZ2-CG 4.14Å; F118-L122 HydrophobicContact CB-CB 4.02Å; F118-L122 HydrophobicContact CB-CD2 3.54Å; F118-L122 HydrophobicContact CB-CG 4.29Å; F118-L122 HydrophobicContact CD1-CD2 4.27Å; F118-L122 HydrophobicContact CG-CD2 3.94Å; G119-L122 PolarHBondContact O-N 3.4Å; S120-L122 PolarHBondContact O-N 3.41Å; L122-V125 HydrophobicContact CD1-CB 4.41Å; L122-V125 HydrophobicContact CD1-CG1 4.46Å; L122-V125 PolarHBondContact O-N 2.99Å; L122-V126 HydrophobicContact CD1-CG2 4.28Å; L122-V126 HydrophobicContact CG-CG2 4.09Å; L122-V126 WeakPolarHBondContact O-CB 3.23Å; L122-V126 WeakPolarHBondContact O-CG2 3.07Å; L122-V126 PolarHBondContact O-N 3.21Å |
| 123 | C | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.7 | -53.4 | 171.6 | 167.5 | 0 | 0 | 0 | 0 | 110.5 | W116 G119 S120 F121 V125 V126 M127 D190 V191 C198 | W116-C123 VanDerWaalsContact CZ2-CA 3.46Å; W116-C123 HydrophobicContact CZ2-CB 4.12Å; W116-C123 VanDerWaalsContact CZ2-N 3.32Å; G119-C123 PolarHBondContact O-N 3.15Å; G119-C123 VanDerWaalsContact O-N 3.13Å; S120-C123 WeakPolarHBondContact O-CB 3.39Å; S120-C123 PolarHBondContact O-N 3.29Å; F121-C123 VanDerWaalsContact C-N 3.33Å; F121-C123 PolarHBondContact O-N 2.93Å; C123-V125 PolarHBondContact O-N 3.13Å; C123-V126 PolarHBondContact O-N 3.26Å; C123-M127 WeakPolarHBondContact O-CB 3.44Å; C123-M127 VanDerWaalsContact O-CG 3.27Å; C123-M127 WeakPolarHBondContact O-CG 3.33Å; C123-M127 PolarHBondContact O-N 2.86Å; C123-D190 PolarHBondContact SG-O 3.46Å; C123-V191 HydrophobicContact CB-CG2 4.17Å; C123-C198 WeakPolarHBondContact CA-SG 3.43Å; C123-C198 HydrophobicContact CB-CB 3.68Å; C123-C198 WeakPolarHBondContact CB-SG 3.39Å; C123-C198 WeakPolarHBondContact SG-CA 3.11Å; C123-C198 WeakPolarHBondContact SG-CB 3.31Å; C123-C198 CovalentContact SG-SG 2.02Å; C123-C198 PolarHBondContact SG-SG 3.09Å |
| 124 | R | 94.7 | Very high | 91.5 | Very high | 85 Ų | 85 | 43 Ų | 43 | 32% | 0.321 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58 | -46.7 | 177.2 | -69.6 | 166.1 | -173.7 | -111.6 | 6.1 | 112.2 | S120 F121 T128 S189 D190 | S120-R124 WeakPolarHBondContact O-CG 3.43Å; S120-R124 PolarHBondContact O-N 3.43Å; S120-R124 PolarHBondContact OG-NE 2.97Å; F121-R124 PolarHBondContact O-N 3.48Å; R124-T128 WeakPolarHBondContact O-CB 3.25Å; R124-T128 PolarHBondContact O-N 2.86Å; R124-T128 PolarHBondContact O-OG1 2.93Å; R124-S189 WeakPolarHBondContact CA-OG 3.43Å; R124-S189 WeakPolarHBondContact CG-O 3.23Å; R124-S189 PolarHBondContact NE-O 3.32Å; R124-D190 IonicContact CZ-OD2 3.51Å; R124-D190 IonicContact NE-OD2 3.61Å; R124-D190 IonicContact NH2-OD2 2.65Å; R124-D190 PolarHBondContact NH2-OD2 2.69Å |
| 125 | V | 94.1 | Very high | 92 | Very high | 65 Ų | 65 | 41 Ų | 41 | 39% | 0.394 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.6 | -46.4 | 179.7 | 170.2 | 0 | 0 | 0 | 0 | 111.9 | F121 L122 C123 T128 A129 | F121-V125 HydrophobicContact CD1-CG2 4.43Å; F121-V125 HydrophobicContact CE1-CG2 3.96Å; F121-V125 HydrophobicContact CE2-CG2 4.11Å; F121-V125 HydrophobicContact CZ-CG2 3.79Å; F121-V125 WeakPolarHBondContact O-CG2 3.45Å; F121-V125 PolarHBondContact O-N 2.87Å; L122-V125 HydrophobicContact CD1-CB 4.41Å; L122-V125 HydrophobicContact CD1-CG1 4.46Å; L122-V125 PolarHBondContact O-N 2.99Å; C123-V125 PolarHBondContact O-N 3.13Å; V125-T128 PolarHBondContact O-N 3.48Å; V125-A129 WeakPolarHBondContact O-CB 3.47Å; V125-A129 PolarHBondContact O-N 3.01Å |
| 126 | V | 93.3 | Very high | 92.3 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.03 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.3 | -46.7 | -177.9 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | F106 L107 W116 L122 C123 T128 A129 D130 | F106-V126 HydrophobicContact CB-CG1 4.41Å; F106-V126 HydrophobicContact CB-CG2 4.17Å; F106-V126 HydrophobicContact CD2-CG2 4Å; F106-V126 HydrophobicContact CG-CG2 4.14Å; L107-V126 HydrophobicContact CD1-CG1 4.14Å; L107-V126 HydrophobicContact CD2-CG1 3.92Å; L107-V126 HydrophobicContact CG-CG1 3.76Å; W116-V126 HydrophobicContact CH2-CB 3.98Å; W116-V126 HydrophobicContact CH2-CG1 4.17Å; W116-V126 HydrophobicContact CH2-CG2 4.02Å; L122-V126 HydrophobicContact CD1-CG2 4.28Å; L122-V126 HydrophobicContact CG-CG2 4.09Å; L122-V126 WeakPolarHBondContact O-CB 3.23Å; L122-V126 WeakPolarHBondContact O-CG2 3.07Å; L122-V126 PolarHBondContact O-N 3.21Å; C123-V126 PolarHBondContact O-N 3.26Å; V126-T128 VanDerWaalsContact C-N 3.28Å; V126-T128 PolarHBondContact O-N 3.38Å; V126-A129 PolarHBondContact O-N 2.8Å; V126-D130 VanDerWaalsContact O-CB 3.28Å; V126-D130 WeakPolarHBondContact O-CB 3.39Å; V126-D130 PolarHBondContact O-N 2.87Å |
| 127 | M | 92.6 | Very high | 92.3 | Very high | 25 Ų | 25 | 35.3 Ų | 35.3 | 12% | 0.123 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.2 | -37.5 | 175.9 | -67.3 | -66.1 | -68.4 | 0 | 0 | 112.3 | L107 C123 S131 V185 C198 | L107-M127 HydrophobicContact CD2-SD 4.41Å; C123-M127 WeakPolarHBondContact O-CB 3.44Å; C123-M127 VanDerWaalsContact O-CG 3.27Å; C123-M127 WeakPolarHBondContact O-CG 3.33Å; C123-M127 PolarHBondContact O-N 2.86Å; M127-S131 WeakPolarHBondContact O-CB 3.32Å; M127-S131 PolarHBondContact O-N 3.5Å; M127-S131 PolarHBondContact O-OG 2.84Å; M127-V185 HydrophobicContact CB-CG1 3.82Å; M127-C198 WeakPolarHBondContact CG-SG 3.41Å |
| 128 | T | 92.4 | Very high | 92.3 | Very high | 15 Ų | 15 | 32.5 Ų | 32.5 | 9% | 0.092 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.6 | -46.4 | 175.2 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | R124 V125 V126 M132 V182 V186 | R124-T128 WeakPolarHBondContact O-CB 3.25Å; R124-T128 PolarHBondContact O-N 2.86Å; R124-T128 PolarHBondContact O-OG1 2.93Å; V125-T128 PolarHBondContact O-N 3.48Å; V126-T128 VanDerWaalsContact C-N 3.28Å; V126-T128 PolarHBondContact O-N 3.38Å; T128-M132 HydrophobicContact CG2-CE 4.36Å; T128-M132 WeakPolarHBondContact O-CB 3.42Å; T128-M132 PolarHBondContact O-N 2.92Å; T128-V182 HydrophobicContact CG2-CG1 3.88Å; T128-V186 HydrophobicContact CG2-CG2 3.85Å |
| 129 | A | 91.2 | Very high | 92.3 | Very high | 21 Ų | 21 | 30.6 Ų | 30.6 | 17% | 0.174 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.4 | -41.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V125 V126 M132 N133 | V125-A129 WeakPolarHBondContact O-CB 3.47Å; V125-A129 PolarHBondContact O-N 3.01Å; V126-A129 PolarHBondContact O-N 2.8Å; A129-M132 PolarHBondContact O-N 3.47Å; A129-N133 PolarHBondContact O-N 3.32Å |
| 130 | D | 90.2 | Very high | 92.2 | Very high | 33 Ų | 33 | 29 Ų | 29 | 18% | 0.176 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.2 | -56 | 175.4 | -169.2 | 80.8 | 0 | 0 | 0 | 111.3 | Y100 V126 M132 Y307 | Y100-D130 WeakPolarHBondContact CD2-O 3.48Å; Y100-D130 HydrophobicContact CE2-CB 4.43Å; Y100-D130 WeakPolarHBondContact CE2-O 3.4Å; Y100-D130 WeakPolarHBondContact CE2-OD1 3.21Å; V126-D130 VanDerWaalsContact O-CB 3.28Å; V126-D130 WeakPolarHBondContact O-CB 3.39Å; V126-D130 PolarHBondContact O-N 2.87Å; D130-M132 PolarHBondContact O-N 2.95Å; D130-Y307 WeakPolarHBondContact OD1-CE1 3.33Å; D130-Y307 PolarHBondContact OD1-OH 3.22Å |
| 131 | S | 90.6 | Very high | 92 | Very high | 19 Ų | 19 | 27.1 Ų | 27.1 | 13% | 0.133 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.6 | -37.2 | 179 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | M127 N133 Q134 F135 | M127-S131 WeakPolarHBondContact O-CB 3.32Å; M127-S131 PolarHBondContact O-N 3.5Å; M127-S131 PolarHBondContact O-OG 2.84Å; S131-N133 PolarHBondContact O-N 3.49Å; S131-Q134 WeakPolarHBondContact O-CB 3.46Å; S131-Q134 PolarHBondContact O-N 3.31Å; S131-F135 WeakPolarHBondContact O-CD2 3.38Å |
| 132 | M | 90.8 | Very high | 91.9 | Very high | 33 Ų | 33 | 20 Ų | 20 | 16% | 0.163 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -70.7 | -28.7 | -175.1 | -173.1 | 148.9 | 55.7 | 0 | 0 | 113.4 | T128 A129 D130 T136 F179 V182 | T128-M132 HydrophobicContact CG2-CE 4.36Å; T128-M132 WeakPolarHBondContact O-CB 3.42Å; T128-M132 PolarHBondContact O-N 2.92Å; A129-M132 PolarHBondContact O-N 3.47Å; D130-M132 PolarHBondContact O-N 2.95Å; M132-T136 WeakPolarHBondContact O-CB 3.14Å; M132-T136 PolarHBondContact O-N 3.05Å; M132-T136 PolarHBondContact O-OG1 2.96Å; M132-F179 HydrophobicContact CE-CD2 4.23Å; M132-F179 HydrophobicContact SD-CB 4Å; M132-F179 HydrophobicContact SD-CD2 3.94Å; M132-F179 HydrophobicContact SD-CG 4.49Å; M132-V182 HydrophobicContact CB-CG2 4.05Å |
| 133 | N | 89.8 | Confident | 91.8 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.011 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.6 | -41.5 | 173 | -172.5 | 32.8 | 0 | 0 | 0 | 112.1 | A96 D97 Y100 A129 S131 F135 T136 S137 | A96-N133 VanDerWaalsContact CB-OD1 3.24Å; A96-N133 WeakPolarHBondContact CB-OD1 3.4Å; D97-N133 PolarHBondContact OD1-ND2 3.5Å; Y100-N133 VanDerWaalsContact CB-ND2 3.32Å; Y100-N133 WeakPolarHBondContact CB-ND2 3.07Å; Y100-N133 HydrophobicContact CD1-CB 4.43Å; Y100-N133 WeakPolarHBondContact CD1-ND2 3.45Å; Y100-N133 HydrophobicContact CD2-CB 3.66Å; Y100-N133 HydrophobicContact CE2-CB 4.48Å; Y100-N133 HydrophobicContact CG-CB 3.69Å; A129-N133 PolarHBondContact O-N 3.32Å; S131-N133 PolarHBondContact O-N 3.49Å; N133-F135 PolarHBondContact O-N 3.18Å; N133-T136 PolarHBondContact O-N 3.18Å; N133-S137 WeakPolarHBondContact O-CB 3.24Å; N133-S137 PolarHBondContact O-N 3.25Å; N133-S137 PolarHBondContact O-OG 2.87Å; N133-S137 PolarHBondContact OD1-OG 2.92Å |
| 134 | Q | 89.1 | Confident | 91.4 | Very high | 16 Ų | 16 | 19.4 Ų | 19.4 | 8% | 0.075 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -51.7 | -55.7 | 178.7 | -177.4 | -176.3 | 83.6 | 0 | 0 | 111.2 | S131 I138 W274 Y278 | S131-Q134 WeakPolarHBondContact O-CB 3.46Å; S131-Q134 PolarHBondContact O-N 3.31Å; Q134-I138 WeakPolarHBondContact O-CG2 3.41Å; Q134-I138 PolarHBondContact O-N 3.32Å; Q134-W274 HydrophobicContact CB-CH2 3.75Å; Q134-W274 HydrophobicContact CB-CZ2 4.12Å; Q134-W274 HydrophobicContact CB-CZ3 4.2Å; Q134-W274 HydrophobicContact CG-CE3 4.17Å; Q134-W274 HydrophobicContact CG-CH2 3.9Å; Q134-W274 HydrophobicContact CG-CZ2 4.28Å; Q134-W274 HydrophobicContact CG-CZ3 3.87Å; Q134-Y278 WeakPolarHBondContact CG-OH 3.46Å; Q134-Y278 PolarHBondContact NE2-OH 3.45Å; Q134-Y278 VanDerWaalsContact NE2-OH 3.15Å; Q134-Y278 PolarHBondContact OE1-OH 3.29Å |
| 135 | F | 92.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.009 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -69 | -43.4 | 179.9 | -58.7 | -68.6 | 0 | 0 | 0 | 112.9 | S131 N133 S137 I138 F139 V181 V182 T217 V220 | S131-F135 WeakPolarHBondContact O-CD2 3.38Å; N133-F135 PolarHBondContact O-N 3.18Å; F135-S137 VanDerWaalsContact C-N 3.33Å; F135-S137 PolarHBondContact O-N 3.28Å; F135-I138 WeakPolarHBondContact O-CG2 3.27Å; F135-I138 PolarHBondContact O-N 3.01Å; F135-F139 HydrophobicContact CB-CD2 4.32Å; F135-F139 HydrophobicContact CB-CE2 3.91Å; F135-F139 HydrophobicContact CB-CZ 4.33Å; F135-F139 HydrophobicContact CD1-CZ 4.36Å; F135-F139 VanDerWaalsContact O-CB 3.3Å; F135-F139 WeakPolarHBondContact O-CB 3.28Å; F135-F139 VanDerWaalsContact O-CD2 3.25Å; F135-F139 WeakPolarHBondContact O-CD2 3.17Å; F135-F139 WeakPolarHBondContact O-CG 3.45Å; F135-F139 PolarHBondContact O-N 2.99Å; F135-V181 HydrophobicContact CD1-CG1 3.48Å; F135-V181 VanDerWaalsContact CD1-CG1 3.48Å; F135-V181 HydrophobicContact CD2-CG1 3.82Å; F135-V181 HydrophobicContact CE1-CG1 3.48Å; F135-V181 VanDerWaalsContact CE1-CG1 3.48Å; F135-V181 HydrophobicContact CE2-CG1 3.84Å; F135-V181 HydrophobicContact CG-CB 4.47Å; F135-V181 HydrophobicContact CG-CG1 3.66Å; F135-V181 HydrophobicContact CZ-CG1 3.68Å; F135-V182 HydrophobicContact CD2-CG2 3.45Å; F135-V182 VanDerWaalsContact CD2-CG2 3.45Å; F135-V182 HydrophobicContact CE2-CG2 3.85Å; F135-T217 HydrophobicContact CZ-CG2 3.87Å; F135-V220 HydrophobicContact CD1-CG1 4.33Å; F135-V220 HydrophobicContact CE1-CG1 4.33Å |
| 136 | T | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | -179.1 | -55.7 | 0 | 0 | 0 | 0 | 111 | A96 M132 N133 C140 V174 W175 S178 | A96-T136 HydrophobicContact CB-CG2 3.88Å; M132-T136 WeakPolarHBondContact O-CB 3.14Å; M132-T136 PolarHBondContact O-N 3.05Å; M132-T136 PolarHBondContact O-OG1 2.96Å; N133-T136 PolarHBondContact O-N 3.18Å; T136-C140 VanDerWaalsContact O-CB 3.27Å; T136-C140 WeakPolarHBondContact O-CB 3.36Å; T136-C140 PolarHBondContact O-N 3.47Å; T136-C140 PolarHBondContact O-SG 3.38Å; T136-V174 HydrophobicContact CG2-CG1 4.28Å; T136-W175 HydrophobicContact CG2-CD2 4.15Å; T136-W175 HydrophobicContact CG2-CE3 4.31Å; T136-W175 HydrophobicContact CG2-CH2 4.28Å; T136-W175 HydrophobicContact CG2-CZ2 4.09Å; T136-W175 HydrophobicContact CG2-CZ3 4.38Å; T136-S178 WeakPolarHBondContact CA-OG 3.48Å; T136-S178 PolarHBondContact N-OG 2.73Å; T136-S178 VanDerWaalsContact OG1-CB 3.29Å; T136-S178 WeakPolarHBondContact OG1-CB 3.2Å; T136-S178 PolarHBondContact OG1-OG 3.44Å |
| 137 | S | 90.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.007 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.8 | -52.3 | 177.2 | -79.3 | 0 | 0 | 0 | 0 | 112.2 | L93 N133 F135 C140 L141 | L93-S137 VanDerWaalsContact CD1-OG 3.26Å; L93-S137 WeakPolarHBondContact CD1-OG 3.31Å; N133-S137 WeakPolarHBondContact O-CB 3.24Å; N133-S137 PolarHBondContact O-N 3.25Å; N133-S137 PolarHBondContact O-OG 2.87Å; N133-S137 PolarHBondContact OD1-OG 2.92Å; F135-S137 VanDerWaalsContact C-N 3.33Å; F135-S137 PolarHBondContact O-N 3.28Å; S137-C140 PolarHBondContact O-N 2.93Å; S137-L141 WeakPolarHBondContact O-CG 3.3Å; S137-L141 PolarHBondContact O-N 3.09Å |
| 138 | I | 92.2 | Very high | 90.4 | Very high | 3 Ų | 3 | 16.2 Ų | 16.2 | 2% | 0.015 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -70.4 | -35.1 | -177.1 | -167.4 | 52 | 0 | 0 | 0 | 112.7 | Q134 F135 L141 T142 G221 P225 I229 F270 | Q134-I138 WeakPolarHBondContact O-CG2 3.41Å; Q134-I138 PolarHBondContact O-N 3.32Å; F135-I138 WeakPolarHBondContact O-CG2 3.27Å; F135-I138 PolarHBondContact O-N 3.01Å; I138-L141 HydrophobicContact CD1-CB 4.35Å; I138-L141 HydrophobicContact CD1-CD1 4.4Å; I138-L141 PolarHBondContact O-N 3.28Å; I138-T142 WeakPolarHBondContact O-CB 3.37Å; I138-T142 PolarHBondContact O-N 2.9Å; I138-T142 PolarHBondContact O-OG1 3.36Å; I138-G221 WeakPolarHBondContact CG2-O 3.42Å; I138-P225 HydrophobicContact CD1-CB 4.05Å; I138-P225 HydrophobicContact CG1-CB 3.39Å; I138-P225 HydrophobicContact CG1-CG 3.92Å; I138-P225 HydrophobicContact CG2-CG 4.27Å; I138-I229 HydrophobicContact CD1-CD1 3.81Å; I138-F270 HydrophobicContact CB-CE1 4.16Å; I138-F270 HydrophobicContact CB-CE2 4.12Å; I138-F270 HydrophobicContact CB-CZ 3.65Å; I138-F270 HydrophobicContact CD1-CD1 3.86Å; I138-F270 HydrophobicContact CD1-CE1 3.55Å; I138-F270 HydrophobicContact CD1-CZ 3.95Å; I138-F270 HydrophobicContact CG1-CE1 3.99Å; I138-F270 HydrophobicContact CG1-CZ 4.01Å |
| 139 | F | 93.6 | Very high | 90.3 | Very high | 32 Ų | 32 | 18 Ų | 18 | 14% | 0.14 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.1 | -38.3 | 173.6 | -64.3 | -20.1 | 0 | 0 | 0 | 111.4 | F135 T142 V143 V174 V177 S178 V181 V220 P225 | F135-F139 HydrophobicContact CB-CD2 4.32Å; F135-F139 HydrophobicContact CB-CE2 3.91Å; F135-F139 HydrophobicContact CB-CZ 4.33Å; F135-F139 HydrophobicContact CD1-CZ 4.36Å; F135-F139 VanDerWaalsContact O-CB 3.3Å; F135-F139 WeakPolarHBondContact O-CB 3.28Å; F135-F139 VanDerWaalsContact O-CD2 3.25Å; F135-F139 WeakPolarHBondContact O-CD2 3.17Å; F135-F139 WeakPolarHBondContact O-CG 3.45Å; F135-F139 PolarHBondContact O-N 2.99Å; F139-T142 PolarHBondContact O-N 3.16Å; F139-V143 WeakPolarHBondContact O-CB 3.35Å; F139-V143 WeakPolarHBondContact O-CG2 3.38Å; F139-V143 PolarHBondContact O-N 2.93Å; F139-V174 HydrophobicContact CB-CG1 3.72Å; F139-V174 HydrophobicContact CB-CG2 4.26Å; F139-V177 HydrophobicContact CD2-CG1 4.32Å; F139-V177 HydrophobicContact CE2-CG1 3.81Å; F139-V177 HydrophobicContact CZ-CG1 4.41Å; F139-S178 WeakPolarHBondContact CD2-OG 3.38Å; F139-V181 HydrophobicContact CE2-CG2 4.43Å; F139-V181 HydrophobicContact CZ-CG2 4.39Å; F139-V220 HydrophobicContact CE1-CG1 4.32Å; F139-V220 HydrophobicContact CZ-CG1 3.82Å; F139-P225 HydrophobicContact CD1-CG 4.43Å; F139-P225 HydrophobicContact CE1-CG 4.18Å |
| 140 | C | 89.8 | Confident | 90.2 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.014 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.7 | -42.6 | 170.8 | -74.7 | 0 | 0 | 0 | 0 | 112.1 | L93 T136 S137 T142 V143 M144 | L93-C140 HydrophobicContact CD1-CB 4.46Å; T136-C140 VanDerWaalsContact O-CB 3.27Å; T136-C140 WeakPolarHBondContact O-CB 3.36Å; T136-C140 PolarHBondContact O-N 3.47Å; T136-C140 PolarHBondContact O-SG 3.38Å; S137-C140 PolarHBondContact O-N 2.93Å; C140-T142 VanDerWaalsContact C-N 3.34Å; C140-T142 PolarHBondContact O-N 2.93Å; C140-V143 PolarHBondContact O-N 3.49Å; C140-M144 WeakPolarHBondContact O-CB 3.42Å; C140-M144 VanDerWaalsContact O-CG 3.31Å; C140-M144 WeakPolarHBondContact O-CG 3.43Å; C140-M144 PolarHBondContact O-N 3.33Å |
| 141 | L | 88.8 | Confident | 89.9 | Confident | 3 Ų | 3 | 17.6 Ų | 17.6 | 2% | 0.016 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.6 | -38.7 | 175.2 | -74.8 | 165.9 | 0 | 0 | 0 | 112.7 | S137 I138 M144 S145 I229 I266 V267 F270 | S137-L141 WeakPolarHBondContact O-CG 3.3Å; S137-L141 PolarHBondContact O-N 3.09Å; I138-L141 HydrophobicContact CD1-CB 4.35Å; I138-L141 HydrophobicContact CD1-CD1 4.4Å; I138-L141 PolarHBondContact O-N 3.28Å; L141-M144 HydrophobicContact CD2-CE 3.83Å; L141-M144 HydrophobicContact CG-CE 4.31Å; L141-M144 PolarHBondContact O-N 3.25Å; L141-S145 WeakPolarHBondContact O-CB 3.31Å; L141-S145 PolarHBondContact O-N 3.43Å; L141-S145 PolarHBondContact O-OG 2.94Å; L141-I229 HydrophobicContact CB-CD1 4.24Å; L141-I266 HydrophobicContact CD2-CB 4.01Å; L141-I266 HydrophobicContact CD2-CG2 3.49Å; L141-I266 VanDerWaalsContact CD2-CG2 3.49Å; L141-V267 HydrophobicContact CB-CG2 4.49Å; L141-V267 HydrophobicContact CD2-CG2 4.13Å; L141-F270 HydrophobicContact CD1-CB 3.76Å; L141-F270 HydrophobicContact CD1-CD2 3.7Å; L141-F270 HydrophobicContact CD1-CE2 4.48Å; L141-F270 HydrophobicContact CD1-CG 3.73Å |
| 142 | T | 93.4 | Very high | 89.6 | Confident | 12 Ų | 12 | 18.4 Ų | 18.4 | 7% | 0.074 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.7 | -50.6 | 175.3 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | I138 F139 C140 M144 S145 M146 I228 I229 | I138-T142 WeakPolarHBondContact O-CB 3.37Å; I138-T142 PolarHBondContact O-N 2.9Å; I138-T142 PolarHBondContact O-OG1 3.36Å; F139-T142 PolarHBondContact O-N 3.16Å; C140-T142 VanDerWaalsContact C-N 3.34Å; C140-T142 PolarHBondContact O-N 2.93Å; T142-M144 PolarHBondContact O-N 3.1Å; T142-S145 WeakPolarHBondContact O-CB 3.49Å; T142-S145 PolarHBondContact O-N 3.38Å; T142-S145 VanDerWaalsContact O-N 3.12Å; T142-M146 HydrophobicContact CG2-SD 4.16Å; T142-M146 WeakPolarHBondContact O-CG 3.27Å; T142-M146 PolarHBondContact O-N 3.36Å; T142-I228 HydrophobicContact CG2-CB 4.15Å; T142-I228 HydrophobicContact CG2-CD1 4.46Å; T142-I228 HydrophobicContact CG2-CG2 3.7Å; T142-I229 HydrophobicContact CG2-CG1 4.47Å |
| 143 | V | 91.4 | Very high | 89.4 | Confident | 27 Ų | 27 | 18 Ų | 18 | 16% | 0.164 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.7 | -42.9 | 176.1 | 167.1 | 0 | 0 | 0 | 0 | 111.9 | Y89 F139 C140 S145 M146 D147 V170 V174 | Y89-V143 HydrophobicContact CE1-CG1 3.76Å; Y89-V143 HydrophobicContact CE2-CG1 3.95Å; Y89-V143 VanDerWaalsContact CZ-CG1 3.42Å; Y89-V143 WeakPolarHBondContact OH-CG1 3.14Å; F139-V143 WeakPolarHBondContact O-CB 3.35Å; F139-V143 WeakPolarHBondContact O-CG2 3.38Å; F139-V143 PolarHBondContact O-N 2.93Å; C140-V143 PolarHBondContact O-N 3.49Å; V143-S145 VanDerWaalsContact C-N 3.32Å; V143-S145 PolarHBondContact O-N 3.33Å; V143-M146 PolarHBondContact O-N 2.9Å; V143-D147 WeakPolarHBondContact O-CB 2.99Å; V143-D147 PolarHBondContact O-N 2.65Å; V143-V170 HydrophobicContact CB-CG1 4.36Å; V143-V170 HydrophobicContact CG1-CG1 3.57Å; V143-V170 HydrophobicContact CG2-CG1 3.81Å; V143-V174 HydrophobicContact CG2-CG2 3.9Å |
| 144 | M | 86.8 | Confident | 89.1 | Confident | 6 Ų | 6 | 21.4 Ų | 21.4 | 3% | 0.03 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.1 | -39.2 | 175.3 | -76.6 | -169.9 | -74.2 | 0 | 0 | 112 | Y89 C140 L141 T142 R148 V263 | Y89-M144 HydrophobicContact CD2-CG 3.7Å; Y89-M144 HydrophobicContact CE2-CG 4.5Å; Y89-M144 HydrophobicContact CG-CG 4.03Å; C140-M144 WeakPolarHBondContact O-CB 3.42Å; C140-M144 VanDerWaalsContact O-CG 3.31Å; C140-M144 WeakPolarHBondContact O-CG 3.43Å; C140-M144 PolarHBondContact O-N 3.33Å; L141-M144 HydrophobicContact CD2-CE 3.83Å; L141-M144 HydrophobicContact CG-CE 4.31Å; L141-M144 PolarHBondContact O-N 3.25Å; T142-M144 PolarHBondContact O-N 3.1Å; M144-R148 WeakPolarHBondContact O-CG 3.45Å; M144-R148 PolarHBondContact O-N 3.32Å; M144-R148 VanDerWaalsContact O-N 3.07Å; M144-V263 HydrophobicContact CB-CG1 4.03Å; M144-V263 HydrophobicContact CB-CG2 4.47Å |
| 145 | S | 89.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.6 | -39.8 | 177 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | L141 T142 V143 R148 Y149 Y233 | L141-S145 WeakPolarHBondContact O-CB 3.31Å; L141-S145 PolarHBondContact O-N 3.43Å; L141-S145 PolarHBondContact O-OG 2.94Å; T142-S145 WeakPolarHBondContact O-CB 3.49Å; T142-S145 PolarHBondContact O-N 3.38Å; T142-S145 VanDerWaalsContact O-N 3.12Å; V143-S145 VanDerWaalsContact C-N 3.32Å; V143-S145 PolarHBondContact O-N 3.33Å; S145-R148 PolarHBondContact O-N 3.23Å; S145-Y149 PolarHBondContact O-N 2.99Å; S145-Y233 PolarHBondContact OG-OH 3.29Å |
| 146 | M | 90.8 | Very high | 88.2 | Confident | 91 Ų | 91 | 29.3 Ų | 29.3 | 45% | 0.448 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -66.7 | -40.8 | 174 | -67.6 | 176.9 | 85.8 | 0 | 0 | 112.4 | T142 V143 R148 Y149 L150 I228 | T142-M146 HydrophobicContact CG2-SD 4.16Å; T142-M146 WeakPolarHBondContact O-CG 3.27Å; T142-M146 PolarHBondContact O-N 3.36Å; V143-M146 PolarHBondContact O-N 2.9Å; M146-R148 VanDerWaalsContact C-N 3.33Å; M146-R148 PolarHBondContact O-N 2.94Å; M146-Y149 WeakPolarHBondContact O-CB 3.44Å; M146-Y149 PolarHBondContact O-N 2.63Å; M146-L150 WeakPolarHBondContact O-CG 3.42Å; M146-L150 PolarHBondContact O-N 3.4Å; M146-I228 HydrophobicContact CG-CG2 4.45Å; M146-I228 HydrophobicContact SD-CG2 4.39Å |
| 147 | D | 87.3 | Confident | 87.8 | Confident | 17 Ų | 17 | 37.5 Ų | 37.5 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.9 | -41.3 | 172.9 | 160.5 | 86.4 | 0 | 0 | 0 | 111.5 | V143 L150 A151 R162 | V143-D147 WeakPolarHBondContact O-CB 2.99Å; V143-D147 PolarHBondContact O-N 2.65Å; D147-L150 PolarHBondContact O-N 3.24Å; D147-A151 WeakPolarHBondContact O-CB 3.3Å; D147-A151 PolarHBondContact O-N 3.39Å; D147-R162 WeakPolarHBondContact OD1-CD 3.35Å; D147-R162 VanDerWaalsContact OD1-CG 3.31Å; D147-R162 WeakPolarHBondContact OD1-CG 3.15Å; D147-R162 IonicContact OD1-NE 3.21Å; D147-R162 PolarHBondContact OD1-NE 3.4Å |
| 148 | R | 86.8 | Confident | 87.5 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.019 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.3 | -42.4 | 172.3 | -70.7 | -52.3 | 94.8 | 169.3 | 17.5 | 112.8 | M144 S145 M146 L150 A151 V152 I236 E256 V263 | M144-R148 WeakPolarHBondContact O-CG 3.45Å; M144-R148 PolarHBondContact O-N 3.32Å; M144-R148 VanDerWaalsContact O-N 3.07Å; S145-R148 PolarHBondContact O-N 3.23Å; M146-R148 VanDerWaalsContact C-N 3.33Å; M146-R148 PolarHBondContact O-N 2.94Å; R148-L150 PolarHBondContact O-N 3.5Å; R148-A151 PolarHBondContact O-N 2.91Å; R148-V152 WeakPolarHBondContact O-CG2 3.14Å; R148-V152 PolarHBondContact O-N 3.41Å; R148-V152 VanDerWaalsContact O-N 3.09Å; R148-I236 HydrophobicContact CB-CD1 4.25Å; R148-E256 IonicContact CZ-OE2 2.86Å; R148-E256 IonicContact NH1-OE1 2.63Å; R148-E256 IonicContact NH1-OE2 3.53Å; R148-E256 PolarHBondContact NH1-OE2 2.56Å; R148-V263 HydrophobicContact CG-CG2 4.4Å |
| 149 | Y | 89.1 | Confident | 87 | Confident | 53 Ų | 53 | 42.4 Ų | 42.4 | 21% | 0.208 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.7 | -49.1 | 174.7 | 164.9 | -94.4 | 0 | 0 | 0 | 111 | S145 M146 A151 V152 V153 H154 L235 I236 | S145-Y149 PolarHBondContact O-N 2.99Å; M146-Y149 WeakPolarHBondContact O-CB 3.44Å; M146-Y149 PolarHBondContact O-N 2.63Å; Y149-A151 PolarHBondContact O-N 3.37Å; Y149-V152 PolarHBondContact O-N 3.06Å; Y149-V153 HydrophobicContact CD2-CB 4.15Å; Y149-V153 HydrophobicContact CD2-CG2 3.62Å; Y149-V153 HydrophobicContact CE2-CB 3.86Å; Y149-V153 HydrophobicContact CE2-CG1 3.94Å; Y149-V153 HydrophobicContact CE2-CG2 3.62Å; Y149-V153 HydrophobicContact CG-CG2 4.44Å; Y149-V153 VanDerWaalsContact O-CB 3.29Å; Y149-V153 WeakPolarHBondContact O-CB 3.25Å; Y149-V153 WeakPolarHBondContact O-CG2 3.34Å; Y149-V153 PolarHBondContact O-N 3.41Å; Y149-H154 AromaticContact CE1-CD2 3.78Å; Y149-H154 AromaticContact CZ-CD2 3.86Å; Y149-H154 AromaticContact CZ-NE2 3.79Å; Y149-H154 PolarHBondContact OH-NE2 3.42Å; Y149-H154 VanDerWaalsContact OH-NE2 3.1Å; Y149-L235 HydrophobicContact CD2-CB 3.99Å; Y149-L235 HydrophobicContact CD2-CD1 4.4Å; Y149-L235 HydrophobicContact CE2-CB 3.68Å; Y149-L235 HydrophobicContact CE2-CD1 3.72Å; Y149-L235 HydrophobicContact CE2-CG 4.35Å; Y149-I236 HydrophobicContact CD2-CG1 4.43Å |
| 150 | L | 88.5 | Confident | 86.5 | Confident | 43 Ų | 43 | 49 Ų | 49 | 23% | 0.225 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 177.1 | -69.7 | 174.2 | 0 | 0 | 0 | 112 | M146 D147 R148 V152 H154 S158 W161 | M146-L150 WeakPolarHBondContact O-CG 3.42Å; M146-L150 PolarHBondContact O-N 3.4Å; D147-L150 PolarHBondContact O-N 3.24Å; R148-L150 PolarHBondContact O-N 3.5Å; L150-V152 VanDerWaalsContact C-N 3.32Å; L150-V152 PolarHBondContact O-N 2.96Å; L150-H154 CarbonylContact O-C 3.18Å; L150-H154 WeakPolarHBondContact O-CA 3.18Å; L150-H154 PolarHBondContact O-N 3.13Å; L150-S158 WeakPolarHBondContact O-CB 3.47Å; L150-W161 HydrophobicContact CD1-CB 4.46Å |
| 151 | A | 84.9 | Confident | 86.1 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.5 | -37.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | D147 R148 Y149 R162 | D147-A151 WeakPolarHBondContact O-CB 3.3Å; D147-A151 PolarHBondContact O-N 3.39Å; R148-A151 PolarHBondContact O-N 2.91Å; Y149-A151 PolarHBondContact O-N 3.37Å; A151-R162 VanDerWaalsContact CB-NH1 3.27Å |
| 152 | V | 84.1 | Confident | 85.9 | Confident | 36 Ų | 36 | 59.3 Ų | 59.3 | 22% | 0.218 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -94 | -42.9 | -174.5 | 178.3 | 0 | 0 | 0 | 0 | 112.3 | R148 Y149 L150 I236 V240 E256 | R148-V152 WeakPolarHBondContact O-CG2 3.14Å; R148-V152 PolarHBondContact O-N 3.41Å; R148-V152 VanDerWaalsContact O-N 3.09Å; Y149-V152 PolarHBondContact O-N 3.06Å; L150-V152 VanDerWaalsContact C-N 3.32Å; L150-V152 PolarHBondContact O-N 2.96Å; V152-I236 HydrophobicContact CG1-CG2 4.22Å; V152-V240 HydrophobicContact CG1-CG2 3.79Å; V152-E256 HydrophobicContact CG2-CB 4.43Å |
| 153 | V | 86 | Confident | 85.5 | Confident | 23 Ų | 23 | 63.1 Ų | 63.1 | 14% | 0.139 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -86.5 | -37.4 | -173.6 | -176.2 | 0 | 0 | 0 | 0 | 112 | Y149 P155 I236 K239 | Y149-V153 HydrophobicContact CD2-CB 4.15Å; Y149-V153 HydrophobicContact CD2-CG2 3.62Å; Y149-V153 HydrophobicContact CE2-CB 3.86Å; Y149-V153 HydrophobicContact CE2-CG1 3.94Å; Y149-V153 HydrophobicContact CE2-CG2 3.62Å; Y149-V153 HydrophobicContact CG-CG2 4.44Å; Y149-V153 VanDerWaalsContact O-CB 3.29Å; Y149-V153 WeakPolarHBondContact O-CB 3.25Å; Y149-V153 WeakPolarHBondContact O-CG2 3.34Å; Y149-V153 PolarHBondContact O-N 3.41Å; V153-P155 VanDerWaalsContact C-CD 3.44Å; V153-P155 WeakPolarHBondContact O-CD 3.46Å; V153-I236 HydrophobicContact CG2-CG1 4.34Å; V153-K239 HydrophobicContact CB-CG 4.36Å; V153-K239 HydrophobicContact CG1-CB 4.4Å; V153-K239 HydrophobicContact CG1-CG 4.11Å; V153-K239 HydrophobicContact CG2-CB 3.99Å; V153-K239 HydrophobicContact CG2-CG 4.17Å |
| 154 | H | 85.3 | Confident | 85.1 | Confident | 75 Ų | 75 | 63.6 Ų | 63.6 | 35% | 0.347 | 30% | 0.3 | S | S | . | . | trans | -124.7 | 59.8 | -174.1 | -64.4 | -70.6 | 0 | 0 | 0 | 112.4 | Y149 L150 I156 R157 S158 | Y149-H154 AromaticContact CE1-CD2 3.78Å; Y149-H154 AromaticContact CZ-CD2 3.86Å; Y149-H154 AromaticContact CZ-NE2 3.79Å; Y149-H154 PolarHBondContact OH-NE2 3.42Å; Y149-H154 VanDerWaalsContact OH-NE2 3.1Å; L150-H154 CarbonylContact O-C 3.18Å; L150-H154 WeakPolarHBondContact O-CA 3.18Å; L150-H154 PolarHBondContact O-N 3.13Å; H154-I156 VanDerWaalsContact C-N 3.27Å; H154-I156 PolarHBondContact O-N 2.88Å; H154-I156 VanDerWaalsContact O-N 3.09Å; H154-R157 HydrophobicContact CB-CB 4.09Å; H154-R157 PolarHBondContact O-N 3.28Å; H154-S158 PolarHBondContact O-N 3.48Å | ||
| 155 | P | 80.1 | Confident | 85.2 | Confident | 34 Ų | 34 | 72.7 Ų | 72.7 | 22% | 0.221 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.5 | -34.3 | -167.9 | 21.8 | -34.2 | 0 | 0 | 0 | 114.2 | V153 S158 | V153-P155 VanDerWaalsContact C-CD 3.44Å; V153-P155 WeakPolarHBondContact O-CD 3.46Å; P155-S158 PolarHBondContact O-OG 3.25Å |
| 156 | I | 82.4 | Confident | 85.2 | Confident | 149 Ų | 149 | 74.9 Ų | 74.9 | 76% | 0.764 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -73.1 | -38.2 | 178.1 | -60.1 | 170 | 0 | 0 | 0 | 111.5 | H154 S158 T159 | H154-I156 VanDerWaalsContact C-N 3.27Å; H154-I156 PolarHBondContact O-N 2.88Å; H154-I156 VanDerWaalsContact O-N 3.09Å; I156-S158 VanDerWaalsContact C-N 3.35Å; I156-T159 PolarHBondContact O-OG1 3.44Å |
| 157 | R | 82.9 | Confident | 85 | Confident | 173 Ų | 173 | 70.6 Ų | 70.6 | 65% | 0.653 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -74.3 | -31 | 177.3 | -150.4 | 172.1 | -171.2 | 156 | 0.4 | 111.1 | H154 T159 K160 | H154-R157 HydrophobicContact CB-CB 4.09Å; H154-R157 PolarHBondContact O-N 3.28Å; R157-T159 VanDerWaalsContact C-N 3.3Å; R157-T159 PolarHBondContact O-N 2.91Å; R157-K160 PolarHBondContact O-N 3.43Å |
| 158 | S | 83.7 | Confident | 85.1 | Confident | 4 Ų | 4 | 75.5 Ų | 75.5 | 3% | 0.028 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.3 | -32.1 | -179.3 | 84.1 | 0 | 0 | 0 | 0 | 113.8 | L150 H154 P155 I156 K160 W161 R162 | L150-S158 WeakPolarHBondContact O-CB 3.47Å; H154-S158 PolarHBondContact O-N 3.48Å; P155-S158 PolarHBondContact O-OG 3.25Å; I156-S158 VanDerWaalsContact C-N 3.35Å; S158-K160 VanDerWaalsContact C-N 3.27Å; S158-K160 PolarHBondContact O-N 3.32Å; S158-W161 PolarHBondContact O-N 3Å; S158-R162 VanDerWaalsContact O-CB 3.31Å; S158-R162 WeakPolarHBondContact O-CB 3.47Å; S158-R162 VanDerWaalsContact O-CG 3.31Å; S158-R162 WeakPolarHBondContact O-CG 3.35Å; S158-R162 PolarHBondContact O-N 3.2Å |
| 159 | T | 81.4 | Confident | 85.4 | Confident | 103 Ų | 103 | 80.2 Ų | 80.2 | 63% | 0.632 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66 | -29.7 | -179.2 | 55.4 | 0 | 0 | 0 | 0 | 112.6 | I156 R157 | I156-T159 PolarHBondContact O-OG1 3.44Å; R157-T159 VanDerWaalsContact C-N 3.3Å; R157-T159 PolarHBondContact O-N 2.91Å |
| 160 | K | 83.4 | Confident | 85.6 | Confident | 169 Ų | 169 | 79.5 Ų | 79.5 | 74% | 0.735 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -75 | -34.2 | 174.9 | -60.6 | -169.8 | 178.7 | -172.1 | 0 | 112.4 | R157 S158 | R157-K160 PolarHBondContact O-N 3.43Å; S158-K160 VanDerWaalsContact C-N 3.27Å; S158-K160 PolarHBondContact O-N 3.32Å |
| 161 | W | 82 | Confident | 85.8 | Confident | 146 Ų | 146 | 77.7 Ų | 77.7 | 55% | 0.553 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -89.8 | -33.7 | -175.2 | -78.1 | 79.9 | 0 | 0 | 0 | 114 | L150 S158 H163 V166 | L150-W161 HydrophobicContact CD1-CB 4.46Å; S158-W161 PolarHBondContact O-N 3Å; W161-H163 PolarHBondContact O-N 2.99Å; W161-V166 HydrophobicContact CE3-CG1 4.07Å; W161-V166 WeakPolarHBondContact O-CB 3.41Å; W161-V166 WeakPolarHBondContact O-CG1 3.2Å |
| 162 | R | 83.9 | Confident | 86.2 | Confident | 77 Ų | 77 | 80.6 Ų | 80.6 | 29% | 0.291 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -80.2 | 41.6 | -176.8 | -63.8 | -173.4 | 62.5 | -153.5 | -14.6 | 113 | V85 D147 A151 S158 E256 | V85-R162 WeakPolarHBondContact CG2-O 3.29Å; D147-R162 WeakPolarHBondContact OD1-CD 3.35Å; D147-R162 VanDerWaalsContact OD1-CG 3.31Å; D147-R162 WeakPolarHBondContact OD1-CG 3.15Å; D147-R162 IonicContact OD1-NE 3.21Å; D147-R162 PolarHBondContact OD1-NE 3.4Å; A151-R162 VanDerWaalsContact CB-NH1 3.27Å; S158-R162 VanDerWaalsContact O-CB 3.31Å; S158-R162 WeakPolarHBondContact O-CB 3.47Å; S158-R162 VanDerWaalsContact O-CG 3.31Å; S158-R162 WeakPolarHBondContact O-CG 3.35Å; S158-R162 PolarHBondContact O-N 3.2Å; R162-E256 IonicContact CZ-OE1 3.84Å; R162-E256 IonicContact NH1-OE1 3.98Å; R162-E256 PolarHBondContact NH1-OE1 2.94Å; R162-E256 IonicContact NH2-OE1 3.67Å |
| 163 | H | 85.6 | Confident | 86.7 | Confident | 91 Ų | 91 | 81.3 Ų | 81.3 | 42% | 0.421 | 40% | 0.401 | S | S | . | . | trans | -101.4 | 142.1 | 177.6 | -166.5 | -106.1 | 0 | 0 | 0 | 111.3 | W161 R165 V166 A167 | W161-H163 PolarHBondContact O-N 2.99Å; H163-R165 PolarHBondContact O-N 2.69Å; H163-R165 VanDerWaalsContact O-N 3.11Å; H163-V166 HydrophobicContact CB-CG2 4.3Å; H163-V166 WeakPolarHBondContact O-CB 3.12Å; H163-V166 PolarHBondContact O-N 2.66Å; H163-A167 PolarHBondContact O-N 3.17Å; H163-A167 VanDerWaalsContact O-N 3.09Å | ||
| 164 | P | 83.8 | Confident | 87.1 | Confident | 38 Ų | 38 | 80.8 Ų | 80.8 | 25% | 0.247 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.8 | -27.4 | -176.5 | -28 | 38.2 | 0 | 0 | 0 | 114.9 | K83 I88 K168 | K83-P164 HydrophobicContact CB-CB 4.02Å; K83-P164 HydrophobicContact CB-CG 4.43Å; K83-P164 WeakPolarHBondContact O-CB 3.22Å; K83-P164 WeakPolarHBondContact O-CG 3.33Å; I88-P164 HydrophobicContact CD1-CB 4.07Å; P164-K168 WeakPolarHBondContact O-CG 3.12Å; P164-K168 PolarHBondContact O-N 2.82Å; P164-K168 VanDerWaalsContact O-N 3.15Å |
| 165 | R | 87.4 | Confident | 87.6 | Confident | 197 Ų | 197 | 80 Ų | 80 | 74% | 0.743 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66 | -44.1 | 173.5 | -64.8 | -179.3 | -174 | 164.8 | 0.2 | 111.5 | H163 K168 V169 | H163-R165 PolarHBondContact O-N 2.69Å; H163-R165 VanDerWaalsContact O-N 3.11Å; R165-K168 PolarHBondContact O-N 2.81Å; R165-V169 WeakPolarHBondContact O-CG2 3.42Å; R165-V169 PolarHBondContact O-N 2.76Å |
| 166 | V | 89.8 | Confident | 88.3 | Confident | 45 Ų | 45 | 80.8 Ų | 80.8 | 27% | 0.273 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 177.7 | 180 | 0 | 0 | 0 | 0 | 109.8 | W161 H163 K168 V169 V170 | W161-V166 HydrophobicContact CE3-CG1 4.07Å; W161-V166 WeakPolarHBondContact O-CB 3.41Å; W161-V166 WeakPolarHBondContact O-CG1 3.2Å; H163-V166 HydrophobicContact CB-CG2 4.3Å; H163-V166 WeakPolarHBondContact O-CB 3.12Å; H163-V166 PolarHBondContact O-N 2.66Å; V166-K168 VanDerWaalsContact C-N 3.29Å; V166-K168 PolarHBondContact O-N 2.91Å; V166-V169 PolarHBondContact O-N 3.36Å; V166-V169 VanDerWaalsContact O-N 3.1Å; V166-V170 HydrophobicContact CG1-CG2 4.11Å; V166-V170 WeakPolarHBondContact O-CG2 3.39Å; V166-V170 PolarHBondContact O-N 2.88Å |
| 167 | A | 87.5 | Confident | 89 | Confident | 2 Ų | 2 | 77.1 Ų | 77.1 | 2% | 0.017 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.5 | -41 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | V85 I88 Y89 H163 V170 S171 | V85-A167 HydrophobicContact CB-CB 4.2Å; V85-A167 HydrophobicContact CG1-CB 3.86Å; V85-A167 HydrophobicContact CG2-CB 4Å; I88-A167 HydrophobicContact CD1-CB 3.92Å; I88-A167 HydrophobicContact CG2-CB 4.42Å; Y89-A167 HydrophobicContact CE1-CB 4.44Å; H163-A167 PolarHBondContact O-N 3.17Å; H163-A167 VanDerWaalsContact O-N 3.09Å; A167-V170 PolarHBondContact O-N 3.4Å; A167-S171 WeakPolarHBondContact O-CB 3.42Å; A167-S171 PolarHBondContact O-N 3.22Å; A167-S171 PolarHBondContact O-OG 2.82Å; A167-S171 VanDerWaalsContact O-OG 3.13Å |
| 168 | K | 89.4 | Confident | 89.6 | Confident | 119 Ų | 119 | 68.9 Ų | 68.9 | 52% | 0.517 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 174 | -76.6 | -174.8 | 168.9 | -146 | 0 | 113.3 | I88 P164 R165 V166 S171 A172 | I88-K168 HydrophobicContact CD1-CG 4.23Å; P164-K168 WeakPolarHBondContact O-CG 3.12Å; P164-K168 PolarHBondContact O-N 2.82Å; P164-K168 VanDerWaalsContact O-N 3.15Å; R165-K168 PolarHBondContact O-N 2.81Å; V166-K168 VanDerWaalsContact C-N 3.29Å; V166-K168 PolarHBondContact O-N 2.91Å; K168-S171 PolarHBondContact O-N 2.97Å; K168-A172 WeakPolarHBondContact O-CB 3.31Å; K168-A172 PolarHBondContact O-N 3.15Å |
| 169 | V | 93.1 | Very high | 90.1 | Very high | 104 Ų | 104 | 73.2 Ų | 73.2 | 63% | 0.63 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.8 | -42.9 | 178.2 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | R165 V166 A172 A173 | R165-V169 WeakPolarHBondContact O-CG2 3.42Å; R165-V169 PolarHBondContact O-N 2.76Å; V166-V169 PolarHBondContact O-N 3.36Å; V166-V169 VanDerWaalsContact O-N 3.1Å; V169-A172 PolarHBondContact O-N 3.35Å; V169-A173 WeakPolarHBondContact O-CB 3.4Å; V169-A173 PolarHBondContact O-N 3.44Å |
| 170 | V | 92.9 | Very high | 90.8 | Very high | 39 Ų | 39 | 73.2 Ų | 73.2 | 24% | 0.236 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64 | -43 | 175.7 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | V143 V166 A167 A173 V174 | V143-V170 HydrophobicContact CB-CG1 4.36Å; V143-V170 HydrophobicContact CG1-CG1 3.57Å; V143-V170 HydrophobicContact CG2-CG1 3.81Å; V166-V170 HydrophobicContact CG1-CG2 4.11Å; V166-V170 WeakPolarHBondContact O-CG2 3.39Å; V166-V170 PolarHBondContact O-N 2.88Å; A167-V170 PolarHBondContact O-N 3.4Å; V170-A173 PolarHBondContact O-N 2.98Å; V170-V174 WeakPolarHBondContact O-CG2 3.48Å; V170-V174 PolarHBondContact O-N 3.45Å |
| 171 | S | 91.4 | Very high | 91.3 | Very high | 5 Ų | 5 | 65.8 Ų | 65.8 | 4% | 0.035 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 173.4 | -71.4 | 0 | 0 | 0 | 0 | 112.3 | N92 A167 K168 A173 V174 W175 | N92-S171 PolarHBondContact ND2-OG 3.41Å; A167-S171 WeakPolarHBondContact O-CB 3.42Å; A167-S171 PolarHBondContact O-N 3.22Å; A167-S171 PolarHBondContact O-OG 2.82Å; A167-S171 VanDerWaalsContact O-OG 3.13Å; K168-S171 PolarHBondContact O-N 2.97Å; S171-A173 VanDerWaalsContact C-N 3.3Å; S171-A173 PolarHBondContact O-N 3.31Å; S171-V174 WeakPolarHBondContact O-CB 3.25Å; S171-V174 PolarHBondContact O-N 3.24Å; S171-V174 VanDerWaalsContact O-N 3.14Å; S171-W175 VanDerWaalsContact O-CD1 3.23Å; S171-W175 PolarHBondContact O-N 3.42Å |
| 172 | A | 93.3 | Very high | 92 | Very high | 63 Ų | 63 | 58.9 Ų | 58.9 | 52% | 0.521 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | K168 V169 W175 A176 | K168-A172 WeakPolarHBondContact O-CB 3.31Å; K168-A172 PolarHBondContact O-N 3.15Å; V169-A172 PolarHBondContact O-N 3.35Å; A172-W175 PolarHBondContact O-N 2.99Å; A172-A176 WeakPolarHBondContact O-CB 3.1Å; A172-A176 PolarHBondContact O-N 3.15Å |
| 173 | A | 95.3 | Very high | 92.5 | Very high | 51 Ų | 51 | 58.3 Ų | 58.3 | 42% | 0.421 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V169 V170 S171 A176 V177 | V169-A173 WeakPolarHBondContact O-CB 3.4Å; V169-A173 PolarHBondContact O-N 3.44Å; V170-A173 PolarHBondContact O-N 2.98Å; S171-A173 VanDerWaalsContact C-N 3.3Å; S171-A173 PolarHBondContact O-N 3.31Å; A173-A176 PolarHBondContact O-N 3.03Å; A173-V177 WeakPolarHBondContact O-CB 3.07Å; A173-V177 VanDerWaalsContact O-CG2 3.26Å; A173-V177 WeakPolarHBondContact O-CG2 3.31Å; A173-V177 PolarHBondContact O-N 2.78Å |
| 174 | V | 94.9 | Very high | 92.9 | Very high | 13 Ų | 13 | 55.6 Ų | 55.6 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61 | -46.3 | 174.2 | 165.5 | 0 | 0 | 0 | 0 | 111.3 | T136 F139 V143 V170 S171 V177 S178 | T136-V174 HydrophobicContact CG2-CG1 4.28Å; F139-V174 HydrophobicContact CB-CG1 3.72Å; F139-V174 HydrophobicContact CB-CG2 4.26Å; V143-V174 HydrophobicContact CG2-CG2 3.9Å; V170-V174 WeakPolarHBondContact O-CG2 3.48Å; V170-V174 PolarHBondContact O-N 3.45Å; S171-V174 WeakPolarHBondContact O-CB 3.25Å; S171-V174 PolarHBondContact O-N 3.24Å; S171-V174 VanDerWaalsContact O-N 3.14Å; V174-V177 PolarHBondContact O-N 2.94Å; V174-S178 WeakPolarHBondContact O-CB 3.26Å; V174-S178 PolarHBondContact O-N 3.04Å; V174-S178 PolarHBondContact O-OG 2.98Å |
| 175 | W | 95.1 | Very high | 93.3 | Very high | 58 Ų | 58 | 53.9 Ų | 53.9 | 22% | 0.22 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 175.5 | -78.6 | 101.3 | 0 | 0 | 0 | 112.1 | N92 V95 A96 L99 T136 S171 A172 S178 F179 | N92-W175 PolarHBondContact OD1-NE1 3.47Å; V95-W175 HydrophobicContact CB-CZ2 4.47Å; V95-W175 HydrophobicContact CG1-CH2 4.17Å; V95-W175 HydrophobicContact CG1-CZ2 4.08Å; A96-W175 HydrophobicContact CB-CH2 3.79Å; A96-W175 HydrophobicContact CB-CZ2 4.12Å; L99-W175 HydrophobicContact CD1-CH2 4.16Å; L99-W175 HydrophobicContact CD1-CZ3 4.39Å; T136-W175 HydrophobicContact CG2-CD2 4.15Å; T136-W175 HydrophobicContact CG2-CE3 4.31Å; T136-W175 HydrophobicContact CG2-CH2 4.28Å; T136-W175 HydrophobicContact CG2-CZ2 4.09Å; T136-W175 HydrophobicContact CG2-CZ3 4.38Å; S171-W175 VanDerWaalsContact O-CD1 3.23Å; S171-W175 PolarHBondContact O-N 3.42Å; A172-W175 PolarHBondContact O-N 2.99Å; W175-S178 PolarHBondContact O-N 3.48Å; W175-F179 WeakPolarHBondContact O-CB 3.42Å; W175-F179 PolarHBondContact O-N 2.93Å |
| 176 | A | 95.9 | Very high | 93.7 | Very high | 51 Ų | 51 | 46.5 Ų | 46.5 | 42% | 0.421 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A172 A173 F179 I180 | A172-A176 WeakPolarHBondContact O-CB 3.1Å; A172-A176 PolarHBondContact O-N 3.15Å; A173-A176 PolarHBondContact O-N 3.03Å; A176-F179 PolarHBondContact O-N 3.48Å; A176-I180 WeakPolarHBondContact O-CD1 3.37Å; A176-I180 VanDerWaalsContact O-CG1 3.25Å; A176-I180 WeakPolarHBondContact O-CG1 3.26Å; A176-I180 PolarHBondContact O-N 3.09Å |
| 177 | V | 95.7 | Very high | 93.9 | Very high | 71 Ų | 71 | 49.2 Ų | 49.2 | 43% | 0.43 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 177.2 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | F139 A173 V174 F179 I180 V181 | F139-V177 HydrophobicContact CD2-CG1 4.32Å; F139-V177 HydrophobicContact CE2-CG1 3.81Å; F139-V177 HydrophobicContact CZ-CG1 4.41Å; A173-V177 WeakPolarHBondContact O-CB 3.07Å; A173-V177 VanDerWaalsContact O-CG2 3.26Å; A173-V177 WeakPolarHBondContact O-CG2 3.31Å; A173-V177 PolarHBondContact O-N 2.78Å; V174-V177 PolarHBondContact O-N 2.94Å; V177-F179 PolarHBondContact O-N 3.35Å; V177-I180 PolarHBondContact O-N 3.14Å; V177-V181 HydrophobicContact CG1-CG2 4.42Å; V177-V181 WeakPolarHBondContact O-CB 3.34Å; V177-V181 VanDerWaalsContact O-CG2 3.28Å; V177-V181 WeakPolarHBondContact O-CG2 3.39Å; V177-V181 PolarHBondContact O-N 3.15Å |
| 178 | S | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 174.6 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | T136 F139 V174 W175 I180 V181 V182 | T136-S178 WeakPolarHBondContact CA-OG 3.48Å; T136-S178 PolarHBondContact N-OG 2.73Å; T136-S178 VanDerWaalsContact OG1-CB 3.29Å; T136-S178 WeakPolarHBondContact OG1-CB 3.2Å; T136-S178 PolarHBondContact OG1-OG 3.44Å; F139-S178 WeakPolarHBondContact CD2-OG 3.38Å; V174-S178 WeakPolarHBondContact O-CB 3.26Å; V174-S178 PolarHBondContact O-N 3.04Å; V174-S178 PolarHBondContact O-OG 2.98Å; W175-S178 PolarHBondContact O-N 3.48Å; S178-I180 PolarHBondContact O-N 3.31Å; S178-V181 PolarHBondContact O-N 3.4Å; S178-V182 WeakPolarHBondContact O-CB 3.36Å; S178-V182 WeakPolarHBondContact O-CG2 3.48Å; S178-V182 PolarHBondContact O-N 3.03Å |
| 179 | F | 94.9 | Very high | 94.2 | Very high | 95 Ų | 95 | 46.2 Ų | 46.2 | 42% | 0.417 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 177.1 | -174.1 | -102.1 | 0 | 0 | 0 | 112.1 | M132 W175 A176 V177 V181 V182 L183 V186 | M132-F179 HydrophobicContact CE-CD2 4.23Å; M132-F179 HydrophobicContact SD-CB 4Å; M132-F179 HydrophobicContact SD-CD2 3.94Å; M132-F179 HydrophobicContact SD-CG 4.49Å; W175-F179 WeakPolarHBondContact O-CB 3.42Å; W175-F179 PolarHBondContact O-N 2.93Å; A176-F179 PolarHBondContact O-N 3.48Å; V177-F179 PolarHBondContact O-N 3.35Å; F179-V181 VanDerWaalsContact C-N 3.31Å; F179-V181 PolarHBondContact O-N 3.17Å; F179-V182 CarbonylContact O-C 3.58Å; F179-V182 PolarHBondContact O-N 2.97Å; F179-V182 VanDerWaalsContact O-N 3.13Å; F179-L183 HydrophobicContact CD1-CD2 4.23Å; F179-L183 HydrophobicContact CE1-CD2 3.7Å; F179-L183 HydrophobicContact CZ-CD2 4.13Å; F179-L183 PolarHBondContact O-N 3.07Å; F179-V186 HydrophobicContact CE2-CG2 4.34Å |
| 180 | I | 95.9 | Very high | 94.3 | Very high | 104 Ų | 104 | 43 Ų | 43 | 53% | 0.533 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.6 | -43.9 | 174.6 | -70.7 | 163.5 | 0 | 0 | 0 | 111.2 | A176 V177 S178 V182 L183 | A176-I180 WeakPolarHBondContact O-CD1 3.37Å; A176-I180 VanDerWaalsContact O-CG1 3.25Å; A176-I180 WeakPolarHBondContact O-CG1 3.26Å; A176-I180 PolarHBondContact O-N 3.09Å; V177-I180 PolarHBondContact O-N 3.14Å; S178-I180 PolarHBondContact O-N 3.31Å; I180-V182 VanDerWaalsContact C-N 3.27Å; I180-V182 PolarHBondContact O-N 2.89Å; I180-L183 WeakPolarHBondContact O-CB 3.32Å; I180-L183 WeakPolarHBondContact O-CG 3.2Å; I180-L183 PolarHBondContact O-N 3.49Å |
| 181 | V | 94.9 | Very high | 94.2 | Very high | 13 Ų | 13 | 42.6 Ų | 42.6 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.2 | -30.4 | 178.4 | 167.2 | 0 | 0 | 0 | 0 | 112.3 | F135 F139 V177 S178 F179 P184 Y216 V220 | F135-V181 HydrophobicContact CD1-CG1 3.48Å; F135-V181 VanDerWaalsContact CD1-CG1 3.48Å; F135-V181 HydrophobicContact CD2-CG1 3.82Å; F135-V181 HydrophobicContact CE1-CG1 3.48Å; F135-V181 VanDerWaalsContact CE1-CG1 3.48Å; F135-V181 HydrophobicContact CE2-CG1 3.84Å; F135-V181 HydrophobicContact CG-CB 4.47Å; F135-V181 HydrophobicContact CG-CG1 3.66Å; F135-V181 HydrophobicContact CZ-CG1 3.68Å; F139-V181 HydrophobicContact CE2-CG2 4.43Å; F139-V181 HydrophobicContact CZ-CG2 4.39Å; V177-V181 HydrophobicContact CG1-CG2 4.42Å; V177-V181 WeakPolarHBondContact O-CB 3.34Å; V177-V181 VanDerWaalsContact O-CG2 3.28Å; V177-V181 WeakPolarHBondContact O-CG2 3.39Å; V177-V181 PolarHBondContact O-N 3.15Å; S178-V181 PolarHBondContact O-N 3.4Å; F179-V181 VanDerWaalsContact C-N 3.31Å; F179-V181 PolarHBondContact O-N 3.17Å; V181-P184 WeakPolarHBondContact O-CD 3.09Å; V181-Y216 VanDerWaalsContact CA-OH 3.32Å; V181-Y216 WeakPolarHBondContact CA-OH 3.28Å; V181-Y216 HydrophobicContact CG1-CE1 4.28Å; V181-Y216 PolarHBondContact O-OH 3.23Å; V181-V220 HydrophobicContact CG1-CG1 3.88Å; V181-V220 HydrophobicContact CG2-CG1 3.97Å |
| 182 | V | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -85.4 | -11.1 | 179.4 | 175.6 | 0 | 0 | 0 | 0 | 113.1 | T128 M132 F135 S178 F179 I180 P184 V185 V186 | T128-V182 HydrophobicContact CG2-CG1 3.88Å; M132-V182 HydrophobicContact CB-CG2 4.05Å; F135-V182 HydrophobicContact CD2-CG2 3.45Å; F135-V182 VanDerWaalsContact CD2-CG2 3.45Å; F135-V182 HydrophobicContact CE2-CG2 3.85Å; S178-V182 WeakPolarHBondContact O-CB 3.36Å; S178-V182 WeakPolarHBondContact O-CG2 3.48Å; S178-V182 PolarHBondContact O-N 3.03Å; F179-V182 CarbonylContact O-C 3.58Å; F179-V182 PolarHBondContact O-N 2.97Å; F179-V182 VanDerWaalsContact O-N 3.13Å; I180-V182 VanDerWaalsContact C-N 3.27Å; I180-V182 PolarHBondContact O-N 2.89Å; V182-P184 VanDerWaalsContact C-N 3.3Å; V182-P184 VanDerWaalsContact O-N 3.08Å; V182-V185 HydrophobicContact CG1-CB 4.02Å; V182-V185 HydrophobicContact CG1-CG2 4.39Å; V182-V185 WeakPolarHBondContact O-CA 3.39Å; V182-V185 VanDerWaalsContact O-CB 3.29Å; V182-V185 WeakPolarHBondContact O-CB 3.47Å; V182-V185 PolarHBondContact O-N 3.46Å; V182-V186 HydrophobicContact CG1-CG2 4.3Å; V182-V186 PolarHBondContact O-N 3.32Å |
| 183 | L | 94.7 | Very high | 93.4 | Very high | 65 Ų | 65 | 47.6 Ų | 47.6 | 34% | 0.34 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -47.3 | -40.5 | -178.8 | -74.4 | 174.6 | 0 | 0 | 0 | 115.2 | F179 I180 V185 V186 I187 | F179-L183 HydrophobicContact CD1-CD2 4.23Å; F179-L183 HydrophobicContact CE1-CD2 3.7Å; F179-L183 HydrophobicContact CZ-CD2 4.13Å; F179-L183 PolarHBondContact O-N 3.07Å; I180-L183 WeakPolarHBondContact O-CB 3.32Å; I180-L183 WeakPolarHBondContact O-CG 3.2Å; I180-L183 PolarHBondContact O-N 3.49Å; L183-V185 PolarHBondContact O-N 2.97Å; L183-V186 PolarHBondContact O-N 3.15Å; L183-V186 VanDerWaalsContact O-N 3.12Å; L183-I187 WeakPolarHBondContact O-CD1 3.46Å; L183-I187 VanDerWaalsContact O-CG1 3.27Å; L183-I187 WeakPolarHBondContact O-CG1 3.08Å; L183-I187 PolarHBondContact O-N 3.44Å |
| 184 | P | 93.3 | Very high | 92.6 | Very high | 34 Ų | 34 | 52.9 Ų | 52.9 | 22% | 0.221 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.8 | -36.3 | 174.6 | -24.9 | 35.6 | 0 | 0 | 0 | 113.1 | V181 V182 I187 F188 F213 | V181-P184 WeakPolarHBondContact O-CD 3.09Å; V182-P184 VanDerWaalsContact C-N 3.3Å; V182-P184 VanDerWaalsContact O-N 3.08Å; P184-I187 PolarHBondContact O-N 3.36Å; P184-F188 HydrophobicContact CB-CD2 4.3Å; P184-F188 WeakPolarHBondContact O-CB 3.27Å; P184-F188 VanDerWaalsContact O-CD2 3.23Å; P184-F188 WeakPolarHBondContact O-CD2 3.44Å; P184-F188 PolarHBondContact O-N 2.92Å; P184-F213 HydrophobicContact CB-CD2 4.35Å; P184-F213 HydrophobicContact CB-CE2 4.17Å |
| 185 | V | 93.4 | Very high | 91.7 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 175.1 | -174 | 0 | 0 | 0 | 0 | 110.8 | M127 V182 L183 I187 S189 M200 F213 | M127-V185 HydrophobicContact CB-CG1 3.82Å; V182-V185 HydrophobicContact CG1-CB 4.02Å; V182-V185 HydrophobicContact CG1-CG2 4.39Å; V182-V185 WeakPolarHBondContact O-CA 3.39Å; V182-V185 VanDerWaalsContact O-CB 3.29Å; V182-V185 WeakPolarHBondContact O-CB 3.47Å; V182-V185 PolarHBondContact O-N 3.46Å; L183-V185 PolarHBondContact O-N 2.97Å; V185-I187 PolarHBondContact O-N 3.28Å; V185-S189 WeakPolarHBondContact O-CB 2.91Å; V185-S189 PolarHBondContact O-N 2.94Å; V185-S189 PolarHBondContact O-OG 3.44Å; V185-M200 HydrophobicContact CB-SD 4.46Å; V185-M200 HydrophobicContact CG1-SD 4.13Å; V185-M200 HydrophobicContact CG2-CE 4.37Å; V185-F213 HydrophobicContact CG2-CE2 4.06Å; V185-F213 HydrophobicContact CG2-CZ 3.68Å |
| 186 | V | 94.4 | Very high | 91.3 | Very high | 42 Ų | 42 | 60.6 Ų | 60.6 | 26% | 0.255 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.4 | -36.7 | 177.6 | -168.2 | 0 | 0 | 0 | 0 | 112 | T128 F179 V182 L183 | T128-V186 HydrophobicContact CG2-CG2 3.85Å; F179-V186 HydrophobicContact CE2-CG2 4.34Å; V182-V186 HydrophobicContact CG1-CG2 4.3Å; V182-V186 PolarHBondContact O-N 3.32Å; L183-V186 PolarHBondContact O-N 3.15Å; L183-V186 VanDerWaalsContact O-N 3.12Å |
| 187 | I | 93.9 | Very high | 90.9 | Very high | 102 Ų | 102 | 58.4 Ų | 58.4 | 52% | 0.523 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -81.2 | -47.7 | -175.7 | -65.9 | 164.1 | 0 | 0 | 0 | 111.6 | L183 P184 V185 | L183-I187 WeakPolarHBondContact O-CD1 3.46Å; L183-I187 VanDerWaalsContact O-CG1 3.27Å; L183-I187 WeakPolarHBondContact O-CG1 3.08Å; L183-I187 PolarHBondContact O-N 3.44Å; P184-I187 PolarHBondContact O-N 3.36Å; V185-I187 PolarHBondContact O-N 3.28Å |
| 188 | F | 92.8 | Very high | 90.7 | Very high | 58 Ų | 58 | 55 Ų | 55 | 25% | 0.254 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -100.5 | -8.9 | -169.4 | -61.8 | -67.3 | 0 | 0 | 0 | 114.8 | P184 M200 N201 W202 P203 | P184-F188 HydrophobicContact CB-CD2 4.3Å; P184-F188 WeakPolarHBondContact O-CB 3.27Å; P184-F188 VanDerWaalsContact O-CD2 3.23Å; P184-F188 WeakPolarHBondContact O-CD2 3.44Å; P184-F188 PolarHBondContact O-N 2.92Å; F188-M200 HydrophobicContact CB-CE 3.79Å; F188-N201 PolarHBondContact O-N 2.92Å; F188-W202 HydrophobicContact CB-CE3 4.37Å; F188-W202 HydrophobicContact CB-CZ3 4.26Å; F188-W202 HydrophobicContact CD2-CE3 4.18Å; F188-W202 AromaticContact CD2-CZ3 3.72Å; F188-W202 HydrophobicContact CD2-CZ3 3.72Å; F188-W202 HydrophobicContact CE2-CZ3 4.37Å; F188-W202 HydrophobicContact CG-CE3 4.23Å; F188-W202 HydrophobicContact CG-CZ3 4.14Å; F188-P203 HydrophobicContact CE1-CG 4.01Å; F188-P203 HydrophobicContact CZ-CG 4.36Å |
| 189 | S | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 129.3 | 171.2 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | R124 V185 N199 | R124-S189 WeakPolarHBondContact CA-OG 3.43Å; R124-S189 WeakPolarHBondContact CG-O 3.23Å; R124-S189 PolarHBondContact NE-O 3.32Å; V185-S189 WeakPolarHBondContact O-CB 2.91Å; V185-S189 PolarHBondContact O-N 2.94Å; V185-S189 PolarHBondContact O-OG 3.44Å; S189-N199 CarbonylContact C-O 3.6Å; S189-N199 WeakPolarHBondContact CA-O 3.31Å |
| 190 | D | 93.4 | Very high | 90 | Very high | 36 Ų | 36 | 51.7 Ų | 51.7 | 19% | 0.193 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 175.2 | 171.9 | -140 | -36.2 | 0 | 0 | 0 | 111.6 | S120 C123 R124 C198 N199 | S120-D190 WeakPolarHBondContact CB-OD1 3.38Å; S120-D190 VanDerWaalsContact OG-CG 3.24Å; S120-D190 PolarHBondContact OG-OD1 3Å; S120-D190 PolarHBondContact OG-OD2 3.39Å; C123-D190 PolarHBondContact SG-O 3.46Å; R124-D190 IonicContact CZ-OD2 3.51Å; R124-D190 IonicContact NE-OD2 3.61Å; R124-D190 IonicContact NH2-OD2 2.65Å; R124-D190 PolarHBondContact NH2-OD2 2.69Å; D190-C198 WeakPolarHBondContact O-CA 3.29Å; D190-N199 PolarHBondContact N-O 3.38Å; D190-N199 PolarHBondContact O-N 3.43Å |
| 191 | V | 91.7 | Very high | 89.7 | Confident | 31 Ų | 31 | 49.7 Ų | 49.7 | 19% | 0.188 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 126.9 | 168 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | W116 C123 | W116-V191 HydrophobicContact CG-CG2 4.28Å; C123-V191 HydrophobicContact CB-CG2 4.17Å |
| 192 | Q | 88.4 | Confident | 89.4 | Confident | 21 Ų | 21 | 49.7 Ų | 49.7 | 10% | 0.098 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 133 | 177.2 | -74.9 | 166.3 | 85.2 | 0 | 0 | 112.2 | M194 F195 N196 S197 N201 | Q192-M194 VanDerWaalsContact C-N 3.32Å; Q192-M194 PolarHBondContact O-N 2.95Å; Q192-F195 PolarHBondContact O-N 3.49Å; Q192-N196 WeakPolarHBondContact O-CA 3.29Å; Q192-N196 PolarHBondContact O-N 3.37Å; Q192-S197 PolarHBondContact N-O 3.03Å; Q192-S197 PolarHBondContact NE2-O 3.21Å; Q192-S197 PolarHBondContact NE2-OG 3.34Å; Q192-N201 WeakPolarHBondContact CG-OD1 3.47Å |
| 193 | D | 80.1 | Confident | 89.1 | Confident | 152 Ų | 152 | 51.9 Ų | 51.9 | 81% | 0.813 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -35.6 | 179 | -49.6 | -66.3 | 0 | 0 | 0 | 113.6 | ||
| 194 | M | 77.1 | Confident | 88.8 | Confident | 162 Ų | 162 | 56.7 Ų | 56.7 | 80% | 0.798 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -33.2 | -175.6 | -73.9 | -69.5 | -64.6 | 0 | 0 | 114.1 | Q192 | Q192-M194 VanDerWaalsContact C-N 3.32Å; Q192-M194 PolarHBondContact O-N 2.95Å |
| 195 | F | 75.8 | Confident | 88.6 | Confident | 136 Ų | 136 | 58.7 Ų | 58.7 | 60% | 0.596 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.1 | 0.9 | -170.8 | -61 | -69.6 | 0 | 0 | 0 | 112.9 | Q192 S197 | Q192-F195 PolarHBondContact O-N 3.49Å; F195-S197 WeakPolarHBondContact CB-OG 3.41Å; F195-S197 PolarHBondContact O-N 3.45Å |
| 196 | N | 86.7 | Confident | 88.2 | Confident | 98 Ų | 98 | 63.5 Ų | 63.5 | 52% | 0.524 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.1 | 34.6 | -171.7 | -74 | -37.1 | 0 | 0 | 0 | 113.6 | Y115 W116 Q192 | Y115-N196 CarbonylContact C-O 3.37Å; W116-N196 PolarHBondContact N-O 3.41Å; Q192-N196 WeakPolarHBondContact O-CA 3.29Å; Q192-N196 PolarHBondContact O-N 3.37Å |
| 197 | S | 88 | Confident | 87.8 | Confident | 4 Ų | 4 | 64.2 Ų | 64.2 | 3% | 0.028 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140 | -169.9 | 68.1 | 0 | 0 | 0 | 0 | 111.3 | F26 Q192 F195 N199 | F26-S197 WeakPolarHBondContact CZ-OG 3.38Å; Q192-S197 PolarHBondContact N-O 3.03Å; Q192-S197 PolarHBondContact NE2-O 3.21Å; Q192-S197 PolarHBondContact NE2-OG 3.34Å; F195-S197 WeakPolarHBondContact CB-OG 3.41Å; F195-S197 PolarHBondContact O-N 3.45Å; S197-N199 PolarHBondContact O-N 2.88Å |
| 198 | C | 91.4 | Very high | 87.5 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.007 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 115.4 | -178.1 | 175.9 | 0 | 0 | 0 | 0 | 110.4 | F26 W116 C123 M127 D190 | F26-C198 WeakPolarHBondContact CE2-O 3.44Å; W116-C198 HydrophobicContact CB-CB 4.15Å; W116-C198 HydrophobicContact CD2-CB 3.68Å; W116-C198 HydrophobicContact CE3-CB 3.88Å; W116-C198 HydrophobicContact CG-CB 3.82Å; W116-C198 HydrophobicContact CZ3-CB 4.49Å; C123-C198 WeakPolarHBondContact CA-SG 3.43Å; C123-C198 HydrophobicContact CB-CB 3.68Å; C123-C198 WeakPolarHBondContact CB-SG 3.39Å; C123-C198 WeakPolarHBondContact SG-CA 3.11Å; C123-C198 WeakPolarHBondContact SG-CB 3.31Å; C123-C198 CovalentContact SG-SG 2.02Å; C123-C198 PolarHBondContact SG-SG 3.09Å; M127-C198 WeakPolarHBondContact CG-SG 3.41Å; D190-C198 WeakPolarHBondContact O-CA 3.29Å |
| 199 | N | 88.6 | Confident | 87.3 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 7% | 0.07 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | -172.1 | 168.9 | -144.4 | -105.5 | 0 | 0 | 0 | 115.7 | F26 F27 S189 D190 S197 N201 | F26-N199 HydrophobicContact CD1-CB 4.16Å; F26-N199 HydrophobicContact CD2-CB 4.02Å; F26-N199 VanDerWaalsContact CD2-CG 3.4Å; F26-N199 WeakPolarHBondContact CD2-ND2 3.29Å; F26-N199 HydrophobicContact CE1-CB 4.05Å; F26-N199 HydrophobicContact CE2-CB 3.9Å; F26-N199 VanDerWaalsContact CE2-ND2 3.34Å; F26-N199 WeakPolarHBondContact CE2-ND2 3.36Å; F26-N199 HydrophobicContact CG-CB 4.12Å; F26-N199 VanDerWaalsContact CG-CG 3.45Å; F26-N199 WeakPolarHBondContact CG-ND2 3.38Å; F26-N199 HydrophobicContact CZ-CB 3.91Å; F27-N199 HydrophobicContact CD2-CB 4.4Å; F27-N199 WeakPolarHBondContact CD2-OD1 3.3Å; F27-N199 HydrophobicContact CE2-CB 4.3Å; S189-N199 CarbonylContact C-O 3.6Å; S189-N199 WeakPolarHBondContact CA-O 3.31Å; D190-N199 PolarHBondContact N-O 3.38Å; D190-N199 PolarHBondContact O-N 3.43Å; S197-N199 PolarHBondContact O-N 2.88Å; N199-N201 PolarHBondContact O-N 3.37Å |
| 200 | M | 88.3 | Confident | 87 | Confident | 11 Ų | 11 | 67 Ų | 67 | 5% | 0.054 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 105.5 | -178.8 | -61.7 | -58.1 | -69.1 | 0 | 0 | 111.2 | V185 F188 W202 | V185-M200 HydrophobicContact CB-SD 4.46Å; V185-M200 HydrophobicContact CG1-SD 4.13Å; V185-M200 HydrophobicContact CG2-CE 4.37Å; F188-M200 HydrophobicContact CB-CE 3.79Å; M200-W202 HydrophobicContact CB-CD2 4.35Å; M200-W202 HydrophobicContact CB-CZ2 3.85Å; M200-W202 HydrophobicContact CE-CH2 3.21Å; M200-W202 HydrophobicContact CE-CZ2 3.46Å; M200-W202 VanDerWaalsContact CE-CZ2 3.46Å; M200-W202 HydrophobicContact CE-CZ3 3.84Å; M200-W202 HydrophobicContact CG-CZ2 4.02Å; M200-W202 PolarHBondContact O-N 2.91Å; M200-W202 VanDerWaalsContact O-N 3.12Å |
| 201 | N | 89.1 | Confident | 86.7 | Confident | 62 Ų | 62 | 67.8 Ų | 67.8 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | trans | -83.2 | 80.3 | 172.7 | -73.1 | -9.9 | 0 | 0 | 0 | 110 | F188 Q192 N199 | F188-N201 PolarHBondContact O-N 2.92Å; Q192-N201 WeakPolarHBondContact CG-OD1 3.47Å; N199-N201 PolarHBondContact O-N 3.37Å | ||
| 202 | W | 88.8 | Confident | 86.7 | Confident | 14 Ų | 14 | 68.8 Ų | 68.8 | 5% | 0.053 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 139.3 | 177.3 | -62.6 | 119 | 0 | 0 | 0 | 112.4 | F188 M200 K206 W209 S210 F213 | F188-W202 HydrophobicContact CB-CE3 4.37Å; F188-W202 HydrophobicContact CB-CZ3 4.26Å; F188-W202 HydrophobicContact CD2-CE3 4.18Å; F188-W202 AromaticContact CD2-CZ3 3.72Å; F188-W202 HydrophobicContact CD2-CZ3 3.72Å; F188-W202 HydrophobicContact CE2-CZ3 4.37Å; F188-W202 HydrophobicContact CG-CE3 4.23Å; F188-W202 HydrophobicContact CG-CZ3 4.14Å; M200-W202 HydrophobicContact CB-CD2 4.35Å; M200-W202 HydrophobicContact CB-CZ2 3.85Å; M200-W202 HydrophobicContact CE-CH2 3.21Å; M200-W202 HydrophobicContact CE-CZ2 3.46Å; M200-W202 VanDerWaalsContact CE-CZ2 3.46Å; M200-W202 HydrophobicContact CE-CZ3 3.84Å; M200-W202 HydrophobicContact CG-CZ2 4.02Å; M200-W202 PolarHBondContact O-N 2.91Å; M200-W202 VanDerWaalsContact O-N 3.12Å; W202-K206 HydrophobicContact CB-CB 4.32Å; W202-K206 HydrophobicContact CB-CG 4.42Å; W202-W209 HydrophobicContact CB-CB 4.16Å; W202-W209 HydrophobicContact CD2-CB 4.25Å; W202-W209 HydrophobicContact CE3-CB 4.05Å; W202-W209 HydrophobicContact CG-CB 4.32Å; W202-S210 PolarHBondContact NE1-OG 3.22Å; W202-F213 HydrophobicContact CH2-CB 3.56Å; W202-F213 AromaticContact CH2-CD1 3.81Å; W202-F213 HydrophobicContact CH2-CD1 3.81Å; W202-F213 AromaticContact CH2-CD2 3.5Å; W202-F213 HydrophobicContact CH2-CD2 3.5Å; W202-F213 VanDerWaalsContact CH2-CD2 3.5Å; W202-F213 HydrophobicContact CH2-CE1 4.35Å; W202-F213 HydrophobicContact CH2-CE2 4.08Å; W202-F213 AromaticContact CH2-CG 3.32Å; W202-F213 HydrophobicContact CH2-CG 3.32Å; W202-F213 HydrophobicContact CH2-CZ 4.47Å; W202-F213 HydrophobicContact CZ2-CB 3.63Å; W202-F213 AromaticContact CZ2-CD1 3.48Å; W202-F213 HydrophobicContact CZ2-CD1 3.48Å; W202-F213 VanDerWaalsContact CZ2-CD1 3.48Å; W202-F213 HydrophobicContact CZ2-CD2 4.08Å; W202-F213 HydrophobicContact CZ2-CE1 4.11Å; W202-F213 AromaticContact CZ2-CG 3.45Å; W202-F213 HydrophobicContact CZ2-CG 3.45Å; W202-F213 VanDerWaalsContact CZ2-CG 3.45Å; W202-F213 HydrophobicContact CZ3-CB 4.4Å; W202-F213 HydrophobicContact CZ3-CG 4.47Å |
| 203 | P | 89.4 | Confident | 86.8 | Confident | 46 Ų | 46 | 69.5 Ų | 69.5 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 162.5 | 171 | 29.9 | -32 | 0 | 0 | 0 | 110.8 | F188 P205 K206 W209 | F188-P203 HydrophobicContact CE1-CG 4.01Å; F188-P203 HydrophobicContact CZ-CG 4.36Å; P203-P205 CarbonylContact O-C 3.58Å; P203-K206 WeakPolarHBondContact O-CA 3.24Å; P203-K206 PolarHBondContact O-N 3.48Å; P203-W209 HydrophobicContact CG-CD2 4.13Å; P203-W209 HydrophobicContact CG-CG 4.03Å; P203-W209 VanDerWaalsContact O-CD1 3.28Å |
| 204 | E | 87.6 | Confident | 87.2 | Confident | 166 Ų | 166 | 62.9 Ų | 62.9 | 78% | 0.776 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -73.7 | 140.6 | 176.5 | -61.4 | -166.6 | 159.3 | 0 | 0 | 111.5 | ||
| 205 | P | 89.6 | Confident | 87.9 | Confident | 75 Ų | 75 | 59 Ų | 59 | 49% | 0.487 | 31% | 0.305 | S | S | . | . | S | Bend | cis | -79.4 | 122.3 | -4.8 | 30.7 | -32.5 | 0 | 0 | 0 | 112.7 | P203 D207 V208 W209 | P203-P205 CarbonylContact O-C 3.58Å; P205-D207 VanDerWaalsContact C-N 3.32Å; P205-D207 PolarHBondContact O-N 2.89Å; P205-V208 HydrophobicContact CB-CG2 4.31Å; P205-V208 HydrophobicContact CG-CB 4.1Å; P205-V208 HydrophobicContact CG-CG2 3.82Å; P205-V208 PolarHBondContact O-N 3.43Å; P205-W209 PolarHBondContact O-N 3.43Å |
| 206 | K | 85.3 | Confident | 88.7 | Confident | 103 Ų | 103 | 56.4 Ų | 56.4 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.9 | -38.3 | -168.8 | -61.6 | -174.8 | 178.6 | 179.6 | 0 | 113.7 | W202 P203 V208 W209 S210 | W202-K206 HydrophobicContact CB-CB 4.32Å; W202-K206 HydrophobicContact CB-CG 4.42Å; P203-K206 WeakPolarHBondContact O-CA 3.24Å; P203-K206 PolarHBondContact O-N 3.48Å; K206-V208 PolarHBondContact O-N 2.85Å; K206-W209 PolarHBondContact O-N 3.02Å; K206-S210 PolarHBondContact O-N 3.31Å |
| 207 | D | 85 | Confident | 89 | Confident | 57 Ų | 57 | 52.5 Ų | 52.5 | 31% | 0.305 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | -175.5 | -44.2 | -60.5 | 0 | 0 | 0 | 111.6 | P30 P205 T211 | P30-D207 WeakPolarHBondContact CB-OD1 3.49Å; P30-D207 VanDerWaalsContact CD-OD1 3.31Å; P30-D207 WeakPolarHBondContact CD-OD1 3.35Å; P30-D207 HydrophobicContact CG-CB 4.4Å; P30-D207 WeakPolarHBondContact CG-OD1 3.38Å; P205-D207 VanDerWaalsContact C-N 3.32Å; P205-D207 PolarHBondContact O-N 2.89Å; D207-T211 WeakPolarHBondContact O-CB 3.5Å; D207-T211 PolarHBondContact O-N 2.73Å; D207-T211 PolarHBondContact O-OG1 3.29Å |
| 208 | V | 87.8 | Confident | 89.2 | Confident | 93 Ų | 93 | 52.3 Ų | 52.3 | 56% | 0.564 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -65.9 | -47.7 | 178.2 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | P205 K206 T211 A212 | P205-V208 HydrophobicContact CB-CG2 4.31Å; P205-V208 HydrophobicContact CG-CB 4.1Å; P205-V208 HydrophobicContact CG-CG2 3.82Å; P205-V208 PolarHBondContact O-N 3.43Å; K206-V208 PolarHBondContact O-N 2.85Å; V208-T211 PolarHBondContact O-N 3.35Å; V208-A212 VanDerWaalsContact O-CB 3.23Å; V208-A212 WeakPolarHBondContact O-CB 3.33Å; V208-A212 PolarHBondContact O-N 2.89Å |
| 209 | W | 88.6 | Confident | 89.3 | Confident | 122 Ų | 122 | 55.6 Ų | 55.6 | 46% | 0.462 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | -179.8 | -78.4 | 105.7 | 0 | 0 | 0 | 112.6 | W202 P203 P205 K206 F213 | W202-W209 HydrophobicContact CB-CB 4.16Å; W202-W209 HydrophobicContact CD2-CB 4.25Å; W202-W209 HydrophobicContact CE3-CB 4.05Å; W202-W209 HydrophobicContact CG-CB 4.32Å; P203-W209 HydrophobicContact CG-CD2 4.13Å; P203-W209 HydrophobicContact CG-CG 4.03Å; P203-W209 VanDerWaalsContact O-CD1 3.28Å; P205-W209 PolarHBondContact O-N 3.43Å; K206-W209 PolarHBondContact O-N 3.02Å; W209-F213 WeakPolarHBondContact O-CB 3.3Å; W209-F213 PolarHBondContact O-N 2.8Å |
| 210 | S | 85.9 | Confident | 89.6 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 3% | 0.028 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -73.3 | -35.7 | 178.5 | -156 | 0 | 0 | 0 | 0 | 113.1 | P28 W202 K206 F213 I214 | P28-S210 VanDerWaalsContact CD-OG 3.29Å; P28-S210 WeakPolarHBondContact CD-OG 3.41Å; P28-S210 WeakPolarHBondContact CG-OG 3.43Å; W202-S210 PolarHBondContact NE1-OG 3.22Å; K206-S210 PolarHBondContact O-N 3.31Å; S210-F213 PolarHBondContact O-N 3.03Å; S210-I214 WeakPolarHBondContact O-CG1 3.45Å; S210-I214 PolarHBondContact O-N 3.12Å |
| 211 | T | 88.2 | Confident | 89.7 | Confident | 52 Ų | 52 | 56.4 Ų | 56.4 | 32% | 0.319 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.7 | -47.8 | 173.3 | -61.5 | 0 | 0 | 0 | 0 | 110.2 | D207 V208 F213 I214 I215 L285 | D207-T211 WeakPolarHBondContact O-CB 3.5Å; D207-T211 PolarHBondContact O-N 2.73Å; D207-T211 PolarHBondContact O-OG1 3.29Å; V208-T211 PolarHBondContact O-N 3.35Å; T211-F213 VanDerWaalsContact C-N 3.32Å; T211-F213 PolarHBondContact O-N 2.85Å; T211-I214 PolarHBondContact O-N 3.28Å; T211-I215 HydrophobicContact CG2-CD1 3.85Å; T211-I215 WeakPolarHBondContact O-CG1 3.47Å; T211-I215 PolarHBondContact O-N 3.44Å; T211-L285 HydrophobicContact CG2-CD1 4.22Å; T211-L285 HydrophobicContact CG2-CD2 4.17Å |
| 212 | A | 90.8 | Very high | 89.9 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 43% | 0.43 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V208 Y216 | V208-A212 VanDerWaalsContact O-CB 3.23Å; V208-A212 WeakPolarHBondContact O-CB 3.33Å; V208-A212 PolarHBondContact O-N 2.89Å; A212-Y216 WeakPolarHBondContact O-CB 3.35Å; A212-Y216 PolarHBondContact O-N 3.3Å |
| 213 | F | 90.3 | Very high | 90.2 | Very high | 37 Ų | 37 | 57.4 Ų | 57.4 | 16% | 0.162 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 177.3 | -178.5 | -103.8 | 0 | 0 | 0 | 113.1 | P184 V185 W202 W209 S210 T211 Y216 T217 | P184-F213 HydrophobicContact CB-CD2 4.35Å; P184-F213 HydrophobicContact CB-CE2 4.17Å; V185-F213 HydrophobicContact CG2-CE2 4.06Å; V185-F213 HydrophobicContact CG2-CZ 3.68Å; W202-F213 HydrophobicContact CH2-CB 3.56Å; W202-F213 AromaticContact CH2-CD1 3.81Å; W202-F213 HydrophobicContact CH2-CD1 3.81Å; W202-F213 AromaticContact CH2-CD2 3.5Å; W202-F213 HydrophobicContact CH2-CD2 3.5Å; W202-F213 VanDerWaalsContact CH2-CD2 3.5Å; W202-F213 HydrophobicContact CH2-CE1 4.35Å; W202-F213 HydrophobicContact CH2-CE2 4.08Å; W202-F213 AromaticContact CH2-CG 3.32Å; W202-F213 HydrophobicContact CH2-CG 3.32Å; W202-F213 HydrophobicContact CH2-CZ 4.47Å; W202-F213 HydrophobicContact CZ2-CB 3.63Å; W202-F213 AromaticContact CZ2-CD1 3.48Å; W202-F213 HydrophobicContact CZ2-CD1 3.48Å; W202-F213 VanDerWaalsContact CZ2-CD1 3.48Å; W202-F213 HydrophobicContact CZ2-CD2 4.08Å; W202-F213 HydrophobicContact CZ2-CE1 4.11Å; W202-F213 AromaticContact CZ2-CG 3.45Å; W202-F213 HydrophobicContact CZ2-CG 3.45Å; W202-F213 VanDerWaalsContact CZ2-CG 3.45Å; W202-F213 HydrophobicContact CZ3-CB 4.4Å; W202-F213 HydrophobicContact CZ3-CG 4.47Å; W209-F213 WeakPolarHBondContact O-CB 3.3Å; W209-F213 PolarHBondContact O-N 2.8Å; S210-F213 PolarHBondContact O-N 3.03Å; T211-F213 VanDerWaalsContact C-N 3.32Å; T211-F213 PolarHBondContact O-N 2.85Å; F213-Y216 HydrophobicContact CD2-CD1 4.28Å; F213-Y216 PolarHBondContact O-N 3.43Å; F213-T217 HydrophobicContact CD1-CG2 4.19Å; F213-T217 HydrophobicContact CD2-CG2 3.95Å; F213-T217 HydrophobicContact CE1-CG2 3.81Å; F213-T217 HydrophobicContact CE2-CG2 3.55Å; F213-T217 HydrophobicContact CG-CG2 4.27Å; F213-T217 HydrophobicContact CZ-CG2 3.47Å; F213-T217 VanDerWaalsContact CZ-CG2 3.47Å; F213-T217 WeakPolarHBondContact O-CB 3.49Å; F213-T217 WeakPolarHBondContact O-CG2 3.18Å; F213-T217 PolarHBondContact O-N 2.85Å; F213-T217 PolarHBondContact O-OG1 3.09Å |
| 214 | I | 89.9 | Confident | 90.5 | Very high | 13 Ų | 13 | 56.5 Ų | 56.5 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 178.2 | -70.9 | 163.1 | 0 | 0 | 0 | 110.4 | S210 T211 Y216 T217 A218 N281 M282 L285 | S210-I214 WeakPolarHBondContact O-CG1 3.45Å; S210-I214 PolarHBondContact O-N 3.12Å; T211-I214 PolarHBondContact O-N 3.28Å; I214-Y216 PolarHBondContact O-N 2.91Å; I214-T217 PolarHBondContact O-N 3.38Å; I214-T217 PolarHBondContact O-OG1 3.07Å; I214-A218 VanDerWaalsContact O-CB 3.22Å; I214-A218 WeakPolarHBondContact O-CB 3.35Å; I214-A218 PolarHBondContact O-N 3.27Å; I214-N281 HydrophobicContact CG2-CB 4.05Å; I214-M282 HydrophobicContact CG2-SD 3.99Å; I214-L285 HydrophobicContact CB-CD1 4.05Å; I214-L285 HydrophobicContact CB-CD2 4.43Å; I214-L285 HydrophobicContact CD1-CD2 3.8Å; I214-L285 HydrophobicContact CD1-CG 4.44Å; I214-L285 HydrophobicContact CG2-CD1 3.66Å; I214-L285 HydrophobicContact CG2-CG 4.19Å |
| 215 | I | 91.4 | Very high | 90.9 | Very high | 79 Ų | 79 | 49 Ų | 49 | 41% | 0.405 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 176.4 | -66.2 | 170.1 | 0 | 0 | 0 | 111.1 | T211 T219 M282 L285 | T211-I215 HydrophobicContact CG2-CD1 3.85Å; T211-I215 WeakPolarHBondContact O-CG1 3.47Å; T211-I215 PolarHBondContact O-N 3.44Å; I215-T219 VanDerWaalsContact O-CB 3.28Å; I215-T219 WeakPolarHBondContact O-CB 3.49Å; I215-T219 PolarHBondContact O-N 3.39Å; I215-T219 PolarHBondContact O-OG1 2.91Å; I215-M282 HydrophobicContact CG1-SD 4.41Å; I215-L285 HydrophobicContact CG1-CD1 4.04Å |
| 216 | Y | 93.1 | Very high | 91.1 | Very high | 83 Ų | 83 | 47.1 Ų | 47.1 | 33% | 0.325 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.1 | -53.4 | 176.8 | 164.2 | -105.1 | 0 | 0 | 0 | 111.8 | V181 A212 F213 I214 A218 T219 V220 | V181-Y216 VanDerWaalsContact CA-OH 3.32Å; V181-Y216 WeakPolarHBondContact CA-OH 3.28Å; V181-Y216 HydrophobicContact CG1-CE1 4.28Å; V181-Y216 PolarHBondContact O-OH 3.23Å; A212-Y216 WeakPolarHBondContact O-CB 3.35Å; A212-Y216 PolarHBondContact O-N 3.3Å; F213-Y216 HydrophobicContact CD2-CD1 4.28Å; F213-Y216 PolarHBondContact O-N 3.43Å; I214-Y216 PolarHBondContact O-N 2.91Å; Y216-A218 PolarHBondContact O-N 3.42Å; Y216-T219 PolarHBondContact O-N 2.98Å; Y216-V220 HydrophobicContact CD2-CG2 3.98Å; Y216-V220 HydrophobicContact CE2-CG2 3.88Å; Y216-V220 WeakPolarHBondContact O-CB 3.37Å; Y216-V220 WeakPolarHBondContact O-CG2 3.45Å; Y216-V220 PolarHBondContact O-N 3.32Å |
| 217 | T | 91.4 | Very high | 91.6 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 9% | 0.092 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.4 | -35.6 | -178.6 | 53.9 | 0 | 0 | 0 | 0 | 112.3 | F135 F213 I214 G221 Y278 | F135-T217 HydrophobicContact CZ-CG2 3.87Å; F213-T217 HydrophobicContact CD1-CG2 4.19Å; F213-T217 HydrophobicContact CD2-CG2 3.95Å; F213-T217 HydrophobicContact CE1-CG2 3.81Å; F213-T217 HydrophobicContact CE2-CG2 3.55Å; F213-T217 HydrophobicContact CG-CG2 4.27Å; F213-T217 HydrophobicContact CZ-CG2 3.47Å; F213-T217 VanDerWaalsContact CZ-CG2 3.47Å; F213-T217 WeakPolarHBondContact O-CB 3.49Å; F213-T217 WeakPolarHBondContact O-CG2 3.18Å; F213-T217 PolarHBondContact O-N 2.85Å; F213-T217 PolarHBondContact O-OG1 3.09Å; I214-T217 PolarHBondContact O-N 3.38Å; I214-T217 PolarHBondContact O-OG1 3.07Å; T217-G221 VanDerWaalsContact O-CA 3.24Å; T217-G221 WeakPolarHBondContact O-CA 3.48Å; T217-G221 PolarHBondContact O-N 3.44Å; T217-Y278 PolarHBondContact O-OH 3.02Å |
| 218 | A | 92.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I214 Y216 F222 F223 Y278 M282 | I214-A218 VanDerWaalsContact O-CB 3.22Å; I214-A218 WeakPolarHBondContact O-CB 3.35Å; I214-A218 PolarHBondContact O-N 3.27Å; Y216-A218 PolarHBondContact O-N 3.42Å; A218-F222 WeakPolarHBondContact O-CB 3.36Å; A218-F222 PolarHBondContact O-N 3.06Å; A218-F222 VanDerWaalsContact O-N 3.16Å; A218-F223 HydrophobicContact CB-CD2 4.23Å; A218-F223 HydrophobicContact CB-CE2 4.2Å; A218-F223 WeakPolarHBondContact O-CD2 3.15Å; A218-F223 PolarHBondContact O-N 2.89Å; A218-Y278 HydrophobicContact CB-CD1 3.83Å; A218-Y278 HydrophobicContact CB-CE1 4.18Å; A218-M282 HydrophobicContact CB-CE 4.3Å; A218-M282 HydrophobicContact CB-CG 4.49Å; A218-M282 HydrophobicContact CB-SD 4.09Å |
| 219 | T | 94.6 | Very high | 92.5 | Very high | 71 Ų | 71 | 43.9 Ų | 43.9 | 44% | 0.436 | 23% | 0.232 | S | C | . | . | I | π-helix | trans | -68.9 | -48.5 | 179.7 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | I215 Y216 G224 | I215-T219 VanDerWaalsContact O-CB 3.28Å; I215-T219 WeakPolarHBondContact O-CB 3.49Å; I215-T219 PolarHBondContact O-N 3.39Å; I215-T219 PolarHBondContact O-OG1 2.91Å; Y216-T219 PolarHBondContact O-N 2.98Å; T219-G224 WeakPolarHBondContact O-CA 3.47Å; T219-G224 PolarHBondContact O-N 3.44Å |
| 220 | V | 94.3 | Very high | 92.7 | Very high | 40 Ų | 40 | 41.4 Ų | 41.4 | 24% | 0.242 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -83.3 | -34.2 | -173.9 | 176.7 | 0 | 0 | 0 | 0 | 112.5 | F135 F139 V181 Y216 P225 | F135-V220 HydrophobicContact CD1-CG1 4.33Å; F135-V220 HydrophobicContact CE1-CG1 4.33Å; F139-V220 HydrophobicContact CE1-CG1 4.32Å; F139-V220 HydrophobicContact CZ-CG1 3.82Å; V181-V220 HydrophobicContact CG1-CG1 3.88Å; V181-V220 HydrophobicContact CG2-CG1 3.97Å; Y216-V220 HydrophobicContact CD2-CG2 3.98Å; Y216-V220 HydrophobicContact CE2-CG2 3.88Å; Y216-V220 WeakPolarHBondContact O-CB 3.37Å; Y216-V220 WeakPolarHBondContact O-CG2 3.45Å; Y216-V220 PolarHBondContact O-N 3.32Å; V220-P225 WeakPolarHBondContact O-CD 3.49Å; V220-P225 WeakPolarHBondContact O-CG 3.21Å |
| 221 | G | 91.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -90.3 | -13.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | I138 T217 Y278 | I138-G221 WeakPolarHBondContact CG2-O 3.42Å; T217-G221 VanDerWaalsContact O-CA 3.24Å; T217-G221 WeakPolarHBondContact O-CA 3.48Å; T217-G221 PolarHBondContact O-N 3.44Å; G221-Y278 WeakPolarHBondContact CA-OH 3.4Å; G221-Y278 PolarHBondContact O-OH 2.89Å |
| 222 | F | 93.3 | Very high | 93.3 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 1% | 0.013 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -139 | -73.2 | -177.1 | -163.1 | -99.4 | 0 | 0 | 0 | 114.3 | A218 G224 P225 L226 F270 V271 W274 L275 Y278 | A218-F222 WeakPolarHBondContact O-CB 3.36Å; A218-F222 PolarHBondContact O-N 3.06Å; A218-F222 VanDerWaalsContact O-N 3.16Å; F222-G224 PolarHBondContact O-N 3.4Å; F222-P225 WeakPolarHBondContact O-CD 3.28Å; F222-L226 HydrophobicContact CD1-CD2 4.49Å; F222-L226 HydrophobicContact CE1-CD2 3.86Å; F222-L226 HydrophobicContact CZ-CD2 4.1Å; F222-L226 WeakPolarHBondContact O-CB 3.25Å; F222-L226 PolarHBondContact O-N 3.46Å; F222-F270 AromaticContact CD2-CE1 3.91Å; F222-F270 HydrophobicContact CD2-CE1 3.91Å; F222-F270 HydrophobicContact CE2-CD1 4.47Å; F222-F270 HydrophobicContact CE2-CE1 4.13Å; F222-V271 HydrophobicContact CZ-CG1 4.28Å; F222-V271 HydrophobicContact CZ-CG2 4.32Å; F222-W274 HydrophobicContact CD2-CB 4.11Å; F222-W274 HydrophobicContact CE2-CB 3.98Å; F222-L275 HydrophobicContact CE1-CD1 3.67Å; F222-L275 HydrophobicContact CE2-CB 4.42Å; F222-L275 HydrophobicContact CZ-CB 3.82Å; F222-L275 HydrophobicContact CZ-CD1 3.81Å; F222-L275 HydrophobicContact CZ-CG 4.4Å; F222-Y278 HydrophobicContact CB-CD2 3.66Å; F222-Y278 HydrophobicContact CB-CE1 4.39Å; F222-Y278 HydrophobicContact CB-CE2 3.47Å; F222-Y278 VanDerWaalsContact CB-CE2 3.47Å; F222-Y278 HydrophobicContact CB-CG 4.19Å; F222-Y278 HydrophobicContact CD1-CD2 4.4Å; F222-Y278 AromaticContact CD2-CD2 3.55Å; F222-Y278 HydrophobicContact CD2-CD2 3.55Å; F222-Y278 AromaticContact CD2-CE2 3.61Å; F222-Y278 HydrophobicContact CD2-CE2 3.61Å; F222-Y278 HydrophobicContact CE2-CD2 4.3Å; F222-Y278 AromaticContact CG-CD2 3.61Å; F222-Y278 HydrophobicContact CG-CD2 3.61Å; F222-Y278 AromaticContact CG-CE2 3.79Å; F222-Y278 HydrophobicContact CG-CE2 3.79Å; F222-Y278 HydrophobicContact CG-CG 4.32Å |
| 223 | F | 94.6 | Very high | 93.3 | Very high | 95 Ų | 95 | 42.4 Ų | 42.4 | 42% | 0.417 | 23% | 0.227 | S | C | . | . | I | π-helix | trans | -67.5 | -43.3 | -164.4 | -68.2 | -71.8 | 0 | 0 | 0 | 113.6 | A218 L227 | A218-F223 HydrophobicContact CB-CD2 4.23Å; A218-F223 HydrophobicContact CB-CE2 4.2Å; A218-F223 WeakPolarHBondContact O-CD2 3.15Å; A218-F223 PolarHBondContact O-N 2.89Å; F223-L227 WeakPolarHBondContact O-CB 3.4Å; F223-L227 PolarHBondContact O-N 3.4Å |
| 224 | G | 95.4 | Very high | 93.3 | Very high | 26 Ų | 26 | 45.7 Ų | 45.7 | 27% | 0.268 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.9 | -54.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | T219 F222 L226 L227 I228 | T219-G224 WeakPolarHBondContact O-CA 3.47Å; T219-G224 PolarHBondContact O-N 3.44Å; F222-G224 PolarHBondContact O-N 3.4Å; G224-L226 PolarHBondContact O-N 3.02Å; G224-L227 WeakPolarHBondContact O-CB 3.34Å; G224-L227 PolarHBondContact O-N 3.31Å; G224-I228 WeakPolarHBondContact O-CG1 3.47Å; G224-I228 PolarHBondContact O-N 3.2Å |
| 225 | P | 95.4 | Very high | 93.3 | Very high | 8 Ų | 8 | 49 Ų | 49 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 173.9 | -26.7 | 34.5 | 0 | 0 | 0 | 113.8 | I138 F139 V220 F222 L227 I228 I229 | I138-P225 HydrophobicContact CD1-CB 4.05Å; I138-P225 HydrophobicContact CG1-CB 3.39Å; I138-P225 HydrophobicContact CG1-CG 3.92Å; I138-P225 HydrophobicContact CG2-CG 4.27Å; F139-P225 HydrophobicContact CD1-CG 4.43Å; F139-P225 HydrophobicContact CE1-CG 4.18Å; V220-P225 WeakPolarHBondContact O-CD 3.49Å; V220-P225 WeakPolarHBondContact O-CG 3.21Å; F222-P225 WeakPolarHBondContact O-CD 3.28Å; P225-L227 VanDerWaalsContact C-N 3.32Å; P225-L227 PolarHBondContact O-N 2.81Å; P225-I228 PolarHBondContact O-N 3.44Å; P225-I228 VanDerWaalsContact O-N 3.17Å; P225-I229 VanDerWaalsContact O-CG1 3.28Å; P225-I229 WeakPolarHBondContact O-CG1 3.47Å; P225-I229 PolarHBondContact O-N 2.83Å |
| 226 | L | 94.5 | Very high | 93.2 | Very high | 37 Ų | 37 | 45.7 Ų | 45.7 | 19% | 0.194 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.4 | -40.8 | 178.4 | -177.3 | 60.3 | 0 | 0 | 0 | 111.5 | F222 G224 I228 I229 C230 V267 V271 | F222-L226 HydrophobicContact CD1-CD2 4.49Å; F222-L226 HydrophobicContact CE1-CD2 3.86Å; F222-L226 HydrophobicContact CZ-CD2 4.1Å; F222-L226 WeakPolarHBondContact O-CB 3.25Å; F222-L226 PolarHBondContact O-N 3.46Å; G224-L226 PolarHBondContact O-N 3.02Å; L226-I228 PolarHBondContact O-N 3.07Å; L226-I229 PolarHBondContact O-N 2.84Å; L226-C230 WeakPolarHBondContact O-CB 3.42Å; L226-C230 PolarHBondContact O-N 3.37Å; L226-C230 PolarHBondContact O-SG 2.99Å; L226-V267 HydrophobicContact CD1-CG1 4.35Å; L226-V271 HydrophobicContact CD1-CG2 3.6Å; L226-V271 HydrophobicContact CD2-CG2 4.04Å; L226-V271 HydrophobicContact CG-CG2 4.48Å |
| 227 | L | 95.8 | Very high | 92.8 | Very high | 107 Ų | 107 | 45.3 Ų | 45.3 | 56% | 0.56 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -58.7 | -47.1 | 173.2 | 177.1 | 62.6 | 0 | 0 | 0 | 111.7 | F223 G224 P225 I229 C230 L231 | F223-L227 WeakPolarHBondContact O-CB 3.4Å; F223-L227 PolarHBondContact O-N 3.4Å; G224-L227 WeakPolarHBondContact O-CB 3.34Å; G224-L227 PolarHBondContact O-N 3.31Å; P225-L227 VanDerWaalsContact C-N 3.32Å; P225-L227 PolarHBondContact O-N 2.81Å; L227-I229 VanDerWaalsContact C-N 3.34Å; L227-I229 PolarHBondContact O-N 3.13Å; L227-C230 PolarHBondContact O-N 2.94Å; L227-L231 HydrophobicContact CD1-CD1 4.09Å; L227-L231 HydrophobicContact CD1-CG 4.22Å; L227-L231 HydrophobicContact CG-CD1 4.05Å; L227-L231 WeakPolarHBondContact O-CB 3.28Å; L227-L231 VanDerWaalsContact O-CG 3.27Å; L227-L231 WeakPolarHBondContact O-CG 3.38Å; L227-L231 PolarHBondContact O-N 3.46Å |
| 228 | I | 96.3 | Very high | 92.6 | Very high | 76 Ų | 76 | 48.7 Ų | 48.7 | 39% | 0.39 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 177.1 | -63.3 | 167.2 | 0 | 0 | 0 | 110.5 | T142 M146 G224 P225 L226 L231 C232 | T142-I228 HydrophobicContact CG2-CB 4.15Å; T142-I228 HydrophobicContact CG2-CD1 4.46Å; T142-I228 HydrophobicContact CG2-CG2 3.7Å; M146-I228 HydrophobicContact CG-CG2 4.45Å; M146-I228 HydrophobicContact SD-CG2 4.39Å; G224-I228 WeakPolarHBondContact O-CG1 3.47Å; G224-I228 PolarHBondContact O-N 3.2Å; P225-I228 PolarHBondContact O-N 3.44Å; P225-I228 VanDerWaalsContact O-N 3.17Å; L226-I228 PolarHBondContact O-N 3.07Å; I228-L231 PolarHBondContact O-N 3.28Å; I228-C232 PolarHBondContact O-N 3.23Å; I228-C232 PolarHBondContact O-SG 3.15Å; I228-C232 VanDerWaalsContact O-SG 3.41Å |
| 229 | I | 94.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -48.5 | 178.6 | -69.4 | 166.7 | 0 | 0 | 0 | 111 | I138 L141 T142 P225 L226 L227 L231 C232 Y233 V267 | I138-I229 HydrophobicContact CD1-CD1 3.81Å; L141-I229 HydrophobicContact CB-CD1 4.24Å; T142-I229 HydrophobicContact CG2-CG1 4.47Å; P225-I229 VanDerWaalsContact O-CG1 3.28Å; P225-I229 WeakPolarHBondContact O-CG1 3.47Å; P225-I229 PolarHBondContact O-N 2.83Å; L226-I229 PolarHBondContact O-N 2.84Å; L227-I229 VanDerWaalsContact C-N 3.34Å; L227-I229 PolarHBondContact O-N 3.13Å; I229-L231 PolarHBondContact O-N 2.92Å; I229-C232 WeakPolarHBondContact O-CB 3.12Å; I229-C232 PolarHBondContact O-N 3.46Å; I229-Y233 HydrophobicContact CG2-CD2 3.73Å; I229-Y233 HydrophobicContact CG2-CE2 3.57Å; I229-Y233 VanDerWaalsContact O-CD2 3.23Å; I229-Y233 WeakPolarHBondContact O-CD2 3.41Å; I229-Y233 PolarHBondContact O-N 3.42Å; I229-V267 HydrophobicContact CD1-CG2 4.37Å; I229-V267 HydrophobicContact CG2-CB 4.45Å; I229-V267 HydrophobicContact CG2-CG1 3.8Å; I229-V267 HydrophobicContact CG2-CG2 3.87Å |
| 230 | C | 93.2 | Very high | 91.6 | Very high | 70 Ų | 70 | 50.7 Ų | 50.7 | 47% | 0.473 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.5 | -44 | 177.1 | -74.1 | 0 | 0 | 0 | 0 | 112.1 | L226 L227 Y233 L234 | L226-C230 WeakPolarHBondContact O-CB 3.42Å; L226-C230 PolarHBondContact O-N 3.37Å; L226-C230 PolarHBondContact O-SG 2.99Å; L227-C230 PolarHBondContact O-N 2.94Å; C230-Y233 PolarHBondContact O-N 3.13Å; C230-L234 WeakPolarHBondContact O-CB 3.4Å; C230-L234 PolarHBondContact O-N 3.12Å |
| 231 | L | 94.7 | Very high | 91 | Very high | 86 Ų | 86 | 57 Ų | 57 | 45% | 0.45 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 175.8 | -70.5 | 170.9 | 0 | 0 | 0 | 111.9 | L227 I228 I229 Y233 L234 L235 | L227-L231 HydrophobicContact CD1-CD1 4.09Å; L227-L231 HydrophobicContact CD1-CG 4.22Å; L227-L231 HydrophobicContact CG-CD1 4.05Å; L227-L231 WeakPolarHBondContact O-CB 3.28Å; L227-L231 VanDerWaalsContact O-CG 3.27Å; L227-L231 WeakPolarHBondContact O-CG 3.38Å; L227-L231 PolarHBondContact O-N 3.46Å; I228-L231 PolarHBondContact O-N 3.28Å; I229-L231 PolarHBondContact O-N 2.92Å; L231-Y233 VanDerWaalsContact C-N 3.34Å; L231-Y233 PolarHBondContact O-N 3.49Å; L231-L234 PolarHBondContact O-N 3.19Å; L231-L235 WeakPolarHBondContact O-CB 3.09Å; L231-L235 VanDerWaalsContact O-CG 3.28Å; L231-L235 WeakPolarHBondContact O-CG 3.38Å; L231-L235 PolarHBondContact O-N 3.39Å |
| 232 | C | 93.3 | Very high | 90.5 | Very high | 12 Ų | 12 | 61.4 Ų | 61.4 | 8% | 0.081 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.5 | -46.5 | 174.1 | -76.5 | 0 | 0 | 0 | 0 | 111.8 | I228 I229 I236 | I228-C232 PolarHBondContact O-N 3.23Å; I228-C232 PolarHBondContact O-SG 3.15Å; I228-C232 VanDerWaalsContact O-SG 3.41Å; I229-C232 WeakPolarHBondContact O-CB 3.12Å; I229-C232 PolarHBondContact O-N 3.46Å; C232-I236 WeakPolarHBondContact O-CD1 3.35Å; C232-I236 VanDerWaalsContact O-CG1 3.24Å; C232-I236 WeakPolarHBondContact O-CG1 3.21Å; C232-I236 PolarHBondContact O-N 3.41Å |
| 233 | Y | 89.4 | Confident | 89.5 | Confident | 31 Ų | 31 | 63.6 Ų | 63.6 | 12% | 0.122 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.6 | -38 | 179.2 | -74.6 | -58 | 0 | 0 | 0 | 113.9 | S145 I229 C230 L231 L235 I236 V237 T260 V263 V264 | S145-Y233 PolarHBondContact OG-OH 3.29Å; I229-Y233 HydrophobicContact CG2-CD2 3.73Å; I229-Y233 HydrophobicContact CG2-CE2 3.57Å; I229-Y233 VanDerWaalsContact O-CD2 3.23Å; I229-Y233 WeakPolarHBondContact O-CD2 3.41Å; I229-Y233 PolarHBondContact O-N 3.42Å; C230-Y233 PolarHBondContact O-N 3.13Å; L231-Y233 VanDerWaalsContact C-N 3.34Å; L231-Y233 PolarHBondContact O-N 3.49Å; Y233-L235 VanDerWaalsContact C-N 3.34Å; Y233-L235 PolarHBondContact O-N 3.29Å; Y233-I236 HydrophobicContact CD1-CD1 3.86Å; Y233-I236 HydrophobicContact CE1-CD1 4.12Å; Y233-I236 WeakPolarHBondContact O-CB 3.37Å; Y233-I236 PolarHBondContact O-N 3.14Å; Y233-V237 WeakPolarHBondContact O-CG2 3.39Å; Y233-V237 PolarHBondContact O-N 3.24Å; Y233-T260 HydrophobicContact CD1-CG2 4.16Å; Y233-T260 HydrophobicContact CE1-CG2 3.78Å; Y233-V263 WeakPolarHBondContact OH-CB 3.27Å; Y233-V263 WeakPolarHBondContact OH-CG1 3.19Å; Y233-V264 HydrophobicContact CD1-CG2 3.74Å; Y233-V264 HydrophobicContact CD2-CG2 4.2Å; Y233-V264 HydrophobicContact CE1-CG2 3.44Å; Y233-V264 VanDerWaalsContact CE1-CG2 3.44Å; Y233-V264 HydrophobicContact CE2-CG2 3.89Å; Y233-V264 HydrophobicContact CG-CG2 4.14Å |
| 234 | L | 89.9 | Confident | 88.2 | Confident | 106 Ų | 106 | 61 Ų | 61 | 56% | 0.555 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -57 | -49.5 | 173.4 | -175.3 | 70.4 | 0 | 0 | 0 | 110.6 | C230 L231 I236 V237 V238 | C230-L234 WeakPolarHBondContact O-CB 3.4Å; C230-L234 PolarHBondContact O-N 3.12Å; L231-L234 PolarHBondContact O-N 3.19Å; L234-I236 PolarHBondContact O-N 3.2Å; L234-V237 PolarHBondContact O-N 3.44Å; L234-V238 WeakPolarHBondContact O-CG2 3.34Å; L234-V238 PolarHBondContact O-N 3.44Å |
| 235 | L | 90.7 | Very high | 86.4 | Confident | 83 Ų | 83 | 63.8 Ų | 63.8 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 178.9 | -65.7 | 172.3 | 0 | 0 | 0 | 112.7 | Y149 L231 Y233 K239 | Y149-L235 HydrophobicContact CD2-CB 3.99Å; Y149-L235 HydrophobicContact CD2-CD1 4.4Å; Y149-L235 HydrophobicContact CE2-CB 3.68Å; Y149-L235 HydrophobicContact CE2-CD1 3.72Å; Y149-L235 HydrophobicContact CE2-CG 4.35Å; L231-L235 WeakPolarHBondContact O-CB 3.09Å; L231-L235 VanDerWaalsContact O-CG 3.28Å; L231-L235 WeakPolarHBondContact O-CG 3.38Å; L231-L235 PolarHBondContact O-N 3.39Å; Y233-L235 VanDerWaalsContact C-N 3.34Å; Y233-L235 PolarHBondContact O-N 3.29Å; L235-K239 VanDerWaalsContact O-CB 3.3Å; L235-K239 WeakPolarHBondContact O-CB 3.12Å; L235-K239 PolarHBondContact O-N 3.26Å |
| 236 | I | 88.7 | Confident | 84.7 | Confident | 9 Ų | 9 | 72.5 Ų | 72.5 | 5% | 0.046 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.2 | -49.9 | 170.5 | -73 | 163.7 | 0 | 0 | 0 | 110.1 | R148 Y149 V152 V153 C232 Y233 L234 K239 V240 T260 | R148-I236 HydrophobicContact CB-CD1 4.25Å; Y149-I236 HydrophobicContact CD2-CG1 4.43Å; V152-I236 HydrophobicContact CG1-CG2 4.22Å; V153-I236 HydrophobicContact CG2-CG1 4.34Å; C232-I236 WeakPolarHBondContact O-CD1 3.35Å; C232-I236 VanDerWaalsContact O-CG1 3.24Å; C232-I236 WeakPolarHBondContact O-CG1 3.21Å; C232-I236 PolarHBondContact O-N 3.41Å; Y233-I236 HydrophobicContact CD1-CD1 3.86Å; Y233-I236 HydrophobicContact CE1-CD1 4.12Å; Y233-I236 WeakPolarHBondContact O-CB 3.37Å; Y233-I236 PolarHBondContact O-N 3.14Å; L234-I236 PolarHBondContact O-N 3.2Å; I236-K239 PolarHBondContact O-N 2.9Å; I236-V240 HydrophobicContact CG2-CG2 4.29Å; I236-V240 VanDerWaalsContact O-CB 3.22Å; I236-V240 WeakPolarHBondContact O-CB 3.35Å; I236-V240 WeakPolarHBondContact O-CG2 3.5Å; I236-V240 PolarHBondContact O-N 2.79Å; I236-T260 HydrophobicContact CG2-CG2 4.43Å |
| 237 | V | 86.4 | Confident | 82.8 | Confident | 75 Ų | 75 | 76.8 Ų | 76.8 | 46% | 0.455 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.2 | -45.9 | -178.7 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | Y233 L234 V240 K241 | Y233-V237 WeakPolarHBondContact O-CG2 3.39Å; Y233-V237 PolarHBondContact O-N 3.24Å; L234-V237 PolarHBondContact O-N 3.44Å; V237-V240 PolarHBondContact O-N 3.47Å; V237-K241 HydrophobicContact CG1-CD 4.33Å; V237-K241 WeakPolarHBondContact O-CG 3.34Å; V237-K241 PolarHBondContact O-N 3.16Å |
| 238 | V | 87.2 | Confident | 81 | Confident | 85 Ų | 85 | 75.1 Ų | 75.1 | 52% | 0.515 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.1 | -51.2 | 176.9 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | L234 V240 K241 S242 | L234-V238 WeakPolarHBondContact O-CG2 3.34Å; L234-V238 PolarHBondContact O-N 3.44Å; V238-V240 VanDerWaalsContact C-N 3.31Å; V238-V240 PolarHBondContact O-N 3.36Å; V238-K241 PolarHBondContact O-N 3.2Å; V238-S242 WeakPolarHBondContact O-CB 3.19Å; V238-S242 PolarHBondContact O-N 2.86Å |
| 239 | K | 85 | Confident | 79.3 | Confident | 85 Ų | 85 | 76.3 Ų | 76.3 | 37% | 0.37 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.3 | -37.4 | -179.7 | -176.2 | 57.5 | 177.7 | 150.2 | 0 | 112.2 | V153 L235 I236 S243 | V153-K239 HydrophobicContact CB-CG 4.36Å; V153-K239 HydrophobicContact CG1-CB 4.4Å; V153-K239 HydrophobicContact CG1-CG 4.11Å; V153-K239 HydrophobicContact CG2-CB 3.99Å; V153-K239 HydrophobicContact CG2-CG 4.17Å; L235-K239 VanDerWaalsContact O-CB 3.3Å; L235-K239 WeakPolarHBondContact O-CB 3.12Å; L235-K239 PolarHBondContact O-N 3.26Å; I236-K239 PolarHBondContact O-N 2.9Å; K239-S243 WeakPolarHBondContact CD-OG 3.28Å; K239-S243 VanDerWaalsContact CE-OG 3.28Å; K239-S243 WeakPolarHBondContact CE-OG 3.4Å; K239-S243 PolarHBondContact NZ-OG 3.17Å; K239-S243 WeakPolarHBondContact O-CB 2.9Å; K239-S243 PolarHBondContact O-N 3.32Å; K239-S243 VanDerWaalsContact O-N 3.12Å; K239-S243 PolarHBondContact O-OG 2.94Å |
| 240 | V | 80.9 | Confident | 77.7 | Confident | 28 Ų | 28 | 79.7 Ų | 79.7 | 17% | 0.17 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 174.2 | 164.8 | 0 | 0 | 0 | 0 | 110.8 | V152 I236 V237 V238 R253 | V152-V240 HydrophobicContact CG1-CG2 3.79Å; I236-V240 HydrophobicContact CG2-CG2 4.29Å; I236-V240 VanDerWaalsContact O-CB 3.22Å; I236-V240 WeakPolarHBondContact O-CB 3.35Å; I236-V240 WeakPolarHBondContact O-CG2 3.5Å; I236-V240 PolarHBondContact O-N 2.79Å; V237-V240 PolarHBondContact O-N 3.47Å; V238-V240 VanDerWaalsContact C-N 3.31Å; V238-V240 PolarHBondContact O-N 3.36Å; V240-R253 PolarHBondContact O-NH2 3.27Å |
| 241 | K | 81 | Confident | 76.2 | Confident | 172 Ų | 172 | 82.4 Ų | 82.4 | 75% | 0.748 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.2 | -45.8 | 177.2 | -74.4 | -176.7 | 176.4 | -175.7 | 0 | 111.8 | V237 V238 S243 | V237-K241 HydrophobicContact CG1-CD 4.33Å; V237-K241 WeakPolarHBondContact O-CG 3.34Å; V237-K241 PolarHBondContact O-N 3.16Å; V238-K241 PolarHBondContact O-N 3.2Å; K241-S243 PolarHBondContact O-N 3.36Å |
| 242 | S | 80.3 | Confident | 74.8 | Confident | 93 Ų | 93 | 83.9 Ų | 83.9 | 65% | 0.65 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.1 | -34.4 | -177.9 | 164.4 | 0 | 0 | 0 | 0 | 114.7 | V238 G244 | V238-S242 WeakPolarHBondContact O-CB 3.19Å; V238-S242 PolarHBondContact O-N 2.86Å; S242-G244 VanDerWaalsContact C-N 3.32Å; S242-G244 PolarHBondContact O-N 3.13Å |
| 243 | S | 73.2 | Confident | 73.5 | Confident | 49 Ų | 49 | 85.8 Ų | 85.8 | 34% | 0.343 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 6.3 | -164.6 | -55 | 0 | 0 | 0 | 0 | 116.3 | K239 K241 | K239-S243 WeakPolarHBondContact CD-OG 3.28Å; K239-S243 VanDerWaalsContact CE-OG 3.28Å; K239-S243 WeakPolarHBondContact CE-OG 3.4Å; K239-S243 PolarHBondContact NZ-OG 3.17Å; K239-S243 WeakPolarHBondContact O-CB 2.9Å; K239-S243 PolarHBondContact O-N 3.32Å; K239-S243 VanDerWaalsContact O-N 3.12Å; K239-S243 PolarHBondContact O-OG 2.94Å; K241-S243 PolarHBondContact O-N 3.36Å |
| 244 | G | 65.9 | Low | 72.5 | Confident | 42 Ų | 42 | 93.6 Ų | 93.6 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | trans | 62.6 | -173.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S242 R253 | S242-G244 VanDerWaalsContact C-N 3.32Å; S242-G244 PolarHBondContact O-N 3.13Å; G244-R253 PolarHBondContact O-NH1 3.34Å | ||
| 245 | A | 59.6 | Low | 71.4 | Confident | 83 Ų | 83 | 91.9 Ų | 91.9 | 69% | 0.686 | 50% | 0.501 | S | S | * | . | trans | -112.4 | 71.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V247 | A245-V247 PolarHBondContact O-N 3.13Š| ||
| 246 | R | 59.7 | Low | 70.5 | Confident | 191 Ų | 191 | 89.2 Ų | 89.2 | 72% | 0.721 | 49% | 0.486 | S | S | * | . | trans | -70.4 | 127.7 | 169 | -60.3 | -170.9 | -166.5 | -172.6 | 3.3 | 109.8 | G248 F249 | R246-G248 PolarHBondContact O-N 2.86Å; R246-F249 WeakPolarHBondContact O-CB 3.46Å; R246-F249 PolarHBondContact O-N 3.45Å | ||
| 247 | V | 54.1 | Low | 69.8 | Low | 128 Ų | 128 | 96 Ų | 96 | 78% | 0.776 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -55.3 | -44.8 | -168 | -175.9 | 0 | 0 | 0 | 0 | 113.1 | A245 F249 V250 | A245-V247 PolarHBondContact O-N 3.13Å; V247-F249 VanDerWaalsContact C-N 3.26Å; V247-F249 PolarHBondContact O-N 3.01Å; V247-V250 WeakPolarHBondContact O-CB 3.32Å; V247-V250 WeakPolarHBondContact O-CG2 3.33Å; V247-V250 PolarHBondContact O-N 3.15Å; V247-V250 VanDerWaalsContact O-N 3.11Å |
| 248 | G | 57.8 | Low | 69.2 | Low | 72 Ų | 72 | 96 Ų | 96 | 74% | 0.742 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.9 | -21.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R246 | R246-G248 PolarHBondContact O-N 2.86Å |
| 249 | F | 60.3 | Low | 68.5 | Low | 101 Ų | 101 | 93.8 Ų | 93.8 | 44% | 0.443 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -77.9 | -20.6 | 174.1 | -98.9 | -101.8 | 0 | 0 | 0 | 112.7 | R246 V247 N251 R252 R253 | R246-F249 WeakPolarHBondContact O-CB 3.46Å; R246-F249 PolarHBondContact O-N 3.45Å; V247-F249 VanDerWaalsContact C-N 3.26Å; V247-F249 PolarHBondContact O-N 3.01Å; F249-N251 PolarHBondContact O-N 3.28Å; F249-R252 PolarHBondContact O-N 2.77Å; F249-R253 WeakPolarHBondContact O-CB 3.27Å; F249-R253 PolarHBondContact O-N 2.6Å |
| 250 | V | 60.9 | Low | 68.1 | Low | 72 Ų | 72 | 90.8 Ų | 90.8 | 44% | 0.436 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62 | -47.8 | -168.8 | -179.1 | 0 | 0 | 0 | 0 | 112 | V247 R253 R254 | V247-V250 WeakPolarHBondContact O-CB 3.32Å; V247-V250 WeakPolarHBondContact O-CG2 3.33Å; V247-V250 PolarHBondContact O-N 3.15Å; V247-V250 VanDerWaalsContact O-N 3.11Å; V250-R253 PolarHBondContact O-N 2.65Å; V250-R254 PolarHBondContact O-N 3.44Å |
| 251 | N | 61.2 | Low | 68.1 | Low | 127 Ų | 127 | 96.8 Ų | 96.8 | 68% | 0.679 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.1 | -45.3 | -179.6 | -73.9 | -17.3 | 0 | 0 | 0 | 112.5 | F249 R253 R254 S255 | F249-N251 PolarHBondContact O-N 3.28Å; N251-R253 VanDerWaalsContact C-N 3.28Å; N251-R253 PolarHBondContact O-N 3.12Å; N251-R254 WeakPolarHBondContact O-CB 3.18Å; N251-R254 PolarHBondContact O-N 2.97Å; N251-R254 VanDerWaalsContact O-N 3.12Å; N251-S255 PolarHBondContact O-N 2.9Å |
| 252 | R | 64.7 | Low | 68 | Low | 117 Ų | 117 | 89 Ų | 89 | 44% | 0.442 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.6 | -36.6 | 174.2 | 179.1 | 175.8 | 170.4 | 169.6 | -1.4 | 112.2 | F249 S255 E256 | F249-R252 PolarHBondContact O-N 2.77Å; R252-S255 PolarHBondContact O-OG 3.47Å; R252-S255 VanDerWaalsContact O-OG 3.05Å; R252-E256 WeakPolarHBondContact O-CB 3.14Å; R252-E256 WeakPolarHBondContact O-CG 3.22Å; R252-E256 PolarHBondContact O-N 2.97Å; R252-E256 VanDerWaalsContact O-N 3.08Å |
| 253 | R | 66.9 | Low | 67.9 | Low | 52 Ų | 52 | 84.8 Ų | 84.8 | 20% | 0.196 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -73.8 | -26 | 177.2 | -169.7 | 178.1 | -170.5 | 177.5 | -0.1 | 112.1 | V240 G244 F249 V250 N251 R257 | V240-R253 PolarHBondContact O-NH2 3.27Å; G244-R253 PolarHBondContact O-NH1 3.34Å; F249-R253 WeakPolarHBondContact O-CB 3.27Å; F249-R253 PolarHBondContact O-N 2.6Å; V250-R253 PolarHBondContact O-N 2.65Å; N251-R253 VanDerWaalsContact C-N 3.28Å; N251-R253 PolarHBondContact O-N 3.12Å; R253-R257 WeakPolarHBondContact O-CB 3.31Å; R253-R257 WeakPolarHBondContact O-CG 3.34Å; R253-R257 PolarHBondContact O-N 2.87Å |
| 254 | R | 68.5 | Low | 68.4 | Low | 195 Ų | 195 | 85 Ų | 85 | 74% | 0.736 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -70.2 | -45 | 173.3 | -168.5 | 178.1 | -176.3 | -179.2 | 1.5 | 111.7 | V250 N251 K258 | V250-R254 PolarHBondContact O-N 3.44Å; N251-R254 WeakPolarHBondContact O-CB 3.18Å; N251-R254 PolarHBondContact O-N 2.97Å; N251-R254 VanDerWaalsContact O-N 3.12Å; R254-K258 PolarHBondContact O-N 2.86Å |
| 255 | S | 66.4 | Low | 69.4 | Low | 71 Ų | 71 | 85.5 Ų | 85.5 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.7 | -45.9 | 176 | 57.4 | 0 | 0 | 0 | 0 | 112.1 | N251 R252 R257 K258 V259 | N251-S255 PolarHBondContact O-N 2.9Å; R252-S255 PolarHBondContact O-OG 3.47Å; R252-S255 VanDerWaalsContact O-OG 3.05Å; S255-R257 PolarHBondContact O-N 3.14Å; S255-K258 WeakPolarHBondContact O-CB 3.38Å; S255-K258 PolarHBondContact O-N 3.25Å; S255-K258 VanDerWaalsContact O-N 3.1Å; S255-V259 PolarHBondContact O-N 3.44Å |
| 256 | E | 70.8 | Confident | 70.6 | Confident | 26 Ų | 26 | 81.6 Ų | 81.6 | 12% | 0.121 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 175.6 | -73.8 | -69.2 | 169.6 | 0 | 0 | 112.2 | R148 V152 R162 R252 K258 V259 T260 | R148-E256 IonicContact CZ-OE2 2.86Å; R148-E256 IonicContact NH1-OE1 2.63Å; R148-E256 IonicContact NH1-OE2 3.53Å; R148-E256 PolarHBondContact NH1-OE2 2.56Å; V152-E256 HydrophobicContact CG2-CB 4.43Å; R162-E256 IonicContact CZ-OE1 3.84Å; R162-E256 IonicContact NH1-OE1 3.98Å; R162-E256 PolarHBondContact NH1-OE1 2.94Å; R162-E256 IonicContact NH2-OE1 3.67Å; R252-E256 WeakPolarHBondContact O-CB 3.14Å; R252-E256 WeakPolarHBondContact O-CG 3.22Å; R252-E256 PolarHBondContact O-N 2.97Å; R252-E256 VanDerWaalsContact O-N 3.08Å; E256-K258 VanDerWaalsContact C-N 3.3Å; E256-K258 PolarHBondContact O-N 3.36Å; E256-V259 PolarHBondContact O-N 3.04Å; E256-T260 WeakPolarHBondContact O-CB 3.46Å; E256-T260 PolarHBondContact O-N 2.96Å; E256-T260 PolarHBondContact O-OG1 2.96Å |
| 257 | R | 74.2 | Confident | 71.8 | Confident | 152 Ų | 152 | 73.2 Ų | 73.2 | 57% | 0.574 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59.3 | -36.6 | 171.6 | -86.6 | 176.7 | 175.4 | -173.9 | -0.2 | 112.9 | R253 S255 R261 | R253-R257 WeakPolarHBondContact O-CB 3.31Å; R253-R257 WeakPolarHBondContact O-CG 3.34Å; R253-R257 PolarHBondContact O-N 2.87Å; S255-R257 PolarHBondContact O-N 3.14Å; R257-R261 VanDerWaalsContact O-CB 3.3Å; R257-R261 WeakPolarHBondContact O-CB 3.07Å; R257-R261 PolarHBondContact O-N 3.26Å |
| 258 | K | 74.8 | Confident | 73.5 | Confident | 74 Ų | 74 | 70.8 Ų | 70.8 | 32% | 0.322 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 177.3 | -178.6 | 173.1 | 178.7 | 168.6 | 0 | 111.4 | R254 S255 E256 R261 M262 L320 D322 | R254-K258 PolarHBondContact O-N 2.86Å; S255-K258 WeakPolarHBondContact O-CB 3.38Å; S255-K258 PolarHBondContact O-N 3.25Å; S255-K258 VanDerWaalsContact O-N 3.1Å; E256-K258 VanDerWaalsContact C-N 3.3Å; E256-K258 PolarHBondContact O-N 3.36Å; K258-R261 PolarHBondContact O-N 3.38Å; K258-M262 PolarHBondContact O-N 3.11Å; K258-L320 VanDerWaalsContact CE-O 3.3Å; K258-L320 WeakPolarHBondContact CE-O 3.42Å; K258-D322 IonicContact NZ-OD1 2.67Å; K258-D322 PolarHBondContact NZ-OD1 3.44Å; K258-D322 IonicContact NZ-OD2 2.65Å; K258-D322 PolarHBondContact NZ-OD2 2.85Å |
| 259 | V | 72.1 | Confident | 75.1 | Confident | 40 Ų | 40 | 68.9 Ų | 68.9 | 24% | 0.242 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.9 | -40.6 | 177.3 | -169.9 | 0 | 0 | 0 | 0 | 111 | S255 E256 R261 M262 V263 | S255-V259 PolarHBondContact O-N 3.44Å; E256-V259 PolarHBondContact O-N 3.04Å; V259-R261 PolarHBondContact O-N 3.36Å; V259-M262 WeakPolarHBondContact O-CB 3.12Å; V259-M262 PolarHBondContact O-N 3.48Å; V259-M262 VanDerWaalsContact O-N 3.15Å; V259-V263 WeakPolarHBondContact O-CG2 3.4Å; V259-V263 PolarHBondContact O-N 3.11Å |
| 260 | T | 76.4 | Confident | 76.5 | Confident | 21 Ų | 21 | 64.2 Ų | 64.2 | 13% | 0.129 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.4 | -48.8 | 174 | -54 | 0 | 0 | 0 | 0 | 110.8 | Y233 I236 E256 M262 V263 V264 | Y233-T260 HydrophobicContact CD1-CG2 4.16Å; Y233-T260 HydrophobicContact CE1-CG2 3.78Å; I236-T260 HydrophobicContact CG2-CG2 4.43Å; E256-T260 WeakPolarHBondContact O-CB 3.46Å; E256-T260 PolarHBondContact O-N 2.96Å; E256-T260 PolarHBondContact O-OG1 2.96Å; T260-M262 VanDerWaalsContact C-N 3.3Å; T260-M262 PolarHBondContact O-N 3.19Å; T260-V263 PolarHBondContact O-N 2.98Å; T260-V264 WeakPolarHBondContact O-CG2 3.49Å; T260-V264 PolarHBondContact O-N 3.44Å |
| 261 | R | 81.8 | Confident | 77.9 | Confident | 154 Ų | 154 | 62.3 Ų | 62.3 | 58% | 0.581 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.1 | -39.3 | 175.6 | -172.8 | -178.5 | 71.7 | 177.5 | 6.6 | 111.9 | R257 K258 V259 V264 V265 | R257-R261 VanDerWaalsContact O-CB 3.3Å; R257-R261 WeakPolarHBondContact O-CB 3.07Å; R257-R261 PolarHBondContact O-N 3.26Å; K258-R261 PolarHBondContact O-N 3.38Å; V259-R261 PolarHBondContact O-N 3.36Å; R261-V264 PolarHBondContact O-N 2.91Å; R261-V265 VanDerWaalsContact O-CG2 3.32Å; R261-V265 WeakPolarHBondContact O-CG2 3.26Å; R261-V265 PolarHBondContact O-N 2.9Å |
| 262 | M | 78.7 | Confident | 79.5 | Confident | 9 Ų | 9 | 61.6 Ų | 61.6 | 4% | 0.044 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.3 | -50.6 | 176.3 | -177.4 | -178 | 90 | 0 | 0 | 111.6 | T86 K258 V259 T260 V264 V265 I266 L320 | T86-M262 HydrophobicContact CG2-CE 4.37Å; K258-M262 PolarHBondContact O-N 3.11Å; V259-M262 WeakPolarHBondContact O-CB 3.12Å; V259-M262 PolarHBondContact O-N 3.48Å; V259-M262 VanDerWaalsContact O-N 3.15Å; T260-M262 VanDerWaalsContact C-N 3.3Å; T260-M262 PolarHBondContact O-N 3.19Å; M262-V264 PolarHBondContact O-N 3.12Å; M262-V265 PolarHBondContact O-N 3.32Å; M262-I266 HydrophobicContact CG-CD1 4.1Å; M262-I266 WeakPolarHBondContact O-CG1 3.35Å; M262-I266 PolarHBondContact O-N 2.99Å; M262-I266 VanDerWaalsContact O-N 3.1Å; M262-L320 HydrophobicContact CB-CB 4.12Å; M262-L320 HydrophobicContact CB-CD1 4.3Å; M262-L320 HydrophobicContact CG-CB 3.6Å; M262-L320 HydrophobicContact CG-CD1 3.82Å; M262-L320 HydrophobicContact CG-CG 4.33Å; M262-L320 HydrophobicContact SD-CB 3.87Å |
| 263 | V | 77.9 | Confident | 80.8 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.4 | -36.8 | -179.2 | -172.8 | 0 | 0 | 0 | 0 | 111.4 | M144 R148 Y233 V259 T260 V265 I266 V267 | M144-V263 HydrophobicContact CB-CG1 4.03Å; M144-V263 HydrophobicContact CB-CG2 4.47Å; R148-V263 HydrophobicContact CG-CG2 4.4Å; Y233-V263 WeakPolarHBondContact OH-CB 3.27Å; Y233-V263 WeakPolarHBondContact OH-CG1 3.19Å; V259-V263 WeakPolarHBondContact O-CG2 3.4Å; V259-V263 PolarHBondContact O-N 3.11Å; T260-V263 PolarHBondContact O-N 2.98Å; V263-V265 PolarHBondContact O-N 3.1Å; V263-I266 PolarHBondContact O-N 3.05Å; V263-V267 HydrophobicContact CG1-CG2 4.47Å; V263-V267 WeakPolarHBondContact O-CG2 3.45Å; V263-V267 PolarHBondContact O-N 3.49Å |
| 264 | V | 84.2 | Confident | 82 | Confident | 55 Ų | 55 | 54.2 Ų | 54.2 | 33% | 0.333 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.6 | -43.8 | 172 | 170.6 | 0 | 0 | 0 | 0 | 111.9 | Y233 T260 R261 M262 V267 V268 | Y233-V264 HydrophobicContact CD1-CG2 3.74Å; Y233-V264 HydrophobicContact CD2-CG2 4.2Å; Y233-V264 HydrophobicContact CE1-CG2 3.44Å; Y233-V264 VanDerWaalsContact CE1-CG2 3.44Å; Y233-V264 HydrophobicContact CE2-CG2 3.89Å; Y233-V264 HydrophobicContact CG-CG2 4.14Å; T260-V264 WeakPolarHBondContact O-CG2 3.49Å; T260-V264 PolarHBondContact O-N 3.44Å; R261-V264 PolarHBondContact O-N 2.91Å; M262-V264 PolarHBondContact O-N 3.12Å; V264-V267 PolarHBondContact O-N 3.1Å; V264-V268 HydrophobicContact CG1-CG2 4.48Å; V264-V268 WeakPolarHBondContact O-CG2 3.23Å; V264-V268 PolarHBondContact O-N 3.49Å |
| 265 | V | 86.5 | Confident | 83.2 | Confident | 52 Ų | 52 | 47.8 Ų | 47.8 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 177.7 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | R261 M262 V263 V267 V268 V269 L316 L320 | R261-V265 VanDerWaalsContact O-CG2 3.32Å; R261-V265 WeakPolarHBondContact O-CG2 3.26Å; R261-V265 PolarHBondContact O-N 2.9Å; M262-V265 PolarHBondContact O-N 3.32Å; V263-V265 PolarHBondContact O-N 3.1Å; V265-V267 VanDerWaalsContact C-N 3.35Å; V265-V267 PolarHBondContact O-N 2.87Å; V265-V268 PolarHBondContact O-N 3.36Å; V265-V269 WeakPolarHBondContact O-CG2 3.19Å; V265-V269 PolarHBondContact O-N 3.18Å; V265-L316 HydrophobicContact CG1-CD2 3.56Å; V265-L320 HydrophobicContact CB-CD1 4.36Å; V265-L320 HydrophobicContact CG1-CD1 4.3Å |
| 266 | I | 84.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.3 | -40.7 | 177.5 | -55.3 | 159 | 0 | 0 | 0 | 110.8 | L141 M262 V263 V269 F270 L316 Y317 | L141-I266 HydrophobicContact CD2-CB 4.01Å; L141-I266 HydrophobicContact CD2-CG2 3.49Å; L141-I266 VanDerWaalsContact CD2-CG2 3.49Å; M262-I266 HydrophobicContact CG-CD1 4.1Å; M262-I266 WeakPolarHBondContact O-CG1 3.35Å; M262-I266 PolarHBondContact O-N 2.99Å; M262-I266 VanDerWaalsContact O-N 3.1Å; V263-I266 PolarHBondContact O-N 3.05Å; I266-V269 PolarHBondContact O-N 3.31Å; I266-F270 WeakPolarHBondContact O-CB 3.44Å; I266-F270 PolarHBondContact O-N 2.96Å; I266-L316 HydrophobicContact CB-CD1 4.21Å; I266-L316 HydrophobicContact CG1-CB 4.25Å; I266-L316 HydrophobicContact CG1-CD1 3.71Å; I266-L316 HydrophobicContact CG2-CD1 4.38Å; I266-Y317 HydrophobicContact CD1-CE1 3.7Å |
| 267 | V | 86.3 | Confident | 85.4 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 10% | 0.097 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.1 | -42.7 | 174.7 | 168.9 | 0 | 0 | 0 | 0 | 111.9 | L141 L226 I229 V263 V264 V265 F270 V271 | L141-V267 HydrophobicContact CB-CG2 4.49Å; L141-V267 HydrophobicContact CD2-CG2 4.13Å; L226-V267 HydrophobicContact CD1-CG1 4.35Å; I229-V267 HydrophobicContact CD1-CG2 4.37Å; I229-V267 HydrophobicContact CG2-CB 4.45Å; I229-V267 HydrophobicContact CG2-CG1 3.8Å; I229-V267 HydrophobicContact CG2-CG2 3.87Å; V263-V267 HydrophobicContact CG1-CG2 4.47Å; V263-V267 WeakPolarHBondContact O-CG2 3.45Å; V263-V267 PolarHBondContact O-N 3.49Å; V264-V267 PolarHBondContact O-N 3.1Å; V265-V267 VanDerWaalsContact C-N 3.35Å; V265-V267 PolarHBondContact O-N 2.87Å; V267-F270 PolarHBondContact O-N 2.98Å; V267-V271 WeakPolarHBondContact O-CG2 3.48Å; V267-V271 PolarHBondContact O-N 2.91Å |
| 268 | V | 90.1 | Very high | 86.1 | Confident | 76 Ų | 76 | 40.4 Ų | 40.4 | 46% | 0.461 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.8 | -43 | 176.8 | 168.8 | 0 | 0 | 0 | 0 | 111 | V264 V265 V271 L272 | V264-V268 HydrophobicContact CG1-CG2 4.48Å; V264-V268 WeakPolarHBondContact O-CG2 3.23Å; V264-V268 PolarHBondContact O-N 3.49Å; V265-V268 PolarHBondContact O-N 3.36Å; V268-V271 PolarHBondContact O-N 3.45Å; V268-L272 HydrophobicContact CG1-CD1 3.95Å; V268-L272 HydrophobicContact CG1-CG 4.43Å; V268-L272 VanDerWaalsContact O-CG 3.31Å; V268-L272 WeakPolarHBondContact O-CG 3.39Å; V268-L272 PolarHBondContact O-N 3.39Å |
| 269 | V | 90.3 | Very high | 86.8 | Confident | 32 Ų | 32 | 41 Ų | 41 | 19% | 0.194 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -46 | 175.8 | 170 | 0 | 0 | 0 | 0 | 111.2 | V265 I266 V271 L272 C273 A312 L316 | V265-V269 WeakPolarHBondContact O-CG2 3.19Å; V265-V269 PolarHBondContact O-N 3.18Å; I266-V269 PolarHBondContact O-N 3.31Å; V269-V271 VanDerWaalsContact C-N 3.33Å; V269-V271 PolarHBondContact O-N 2.92Å; V269-L272 PolarHBondContact O-N 3.27Å; V269-C273 WeakPolarHBondContact O-CB 3.35Å; V269-C273 PolarHBondContact O-N 3.47Å; V269-C273 PolarHBondContact O-SG 3.28Å; V269-A312 HydrophobicContact CG1-CB 3.63Å; V269-L316 HydrophobicContact CB-CD1 4.31Å; V269-L316 HydrophobicContact CG2-CD1 4.12Å |
| 270 | F | 88.8 | Confident | 87.5 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 1% | 0.013 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.5 | -46.4 | 175.2 | -179.4 | -83.7 | 0 | 0 | 0 | 111.9 | I138 L141 F222 I266 V267 C273 W274 N309 | I138-F270 HydrophobicContact CB-CE1 4.16Å; I138-F270 HydrophobicContact CB-CE2 4.12Å; I138-F270 HydrophobicContact CB-CZ 3.65Å; I138-F270 HydrophobicContact CD1-CD1 3.86Å; I138-F270 HydrophobicContact CD1-CE1 3.55Å; I138-F270 HydrophobicContact CD1-CZ 3.95Å; I138-F270 HydrophobicContact CG1-CE1 3.99Å; I138-F270 HydrophobicContact CG1-CZ 4.01Å; L141-F270 HydrophobicContact CD1-CB 3.76Å; L141-F270 HydrophobicContact CD1-CD2 3.7Å; L141-F270 HydrophobicContact CD1-CE2 4.48Å; L141-F270 HydrophobicContact CD1-CG 3.73Å; F222-F270 AromaticContact CD2-CE1 3.91Å; F222-F270 HydrophobicContact CD2-CE1 3.91Å; F222-F270 HydrophobicContact CE2-CD1 4.47Å; F222-F270 HydrophobicContact CE2-CE1 4.13Å; I266-F270 WeakPolarHBondContact O-CB 3.44Å; I266-F270 PolarHBondContact O-N 2.96Å; V267-F270 PolarHBondContact O-N 2.98Å; F270-C273 PolarHBondContact O-N 3.22Å; F270-W274 AromaticContact CD2-CD1 3.44Å; F270-W274 VanDerWaalsContact CD2-CD1 3.44Å; F270-W274 HydrophobicContact CD2-CG 4.49Å; F270-W274 AromaticContact CD2-NE1 3.66Å; F270-W274 HydrophobicContact CE1-CB 4.21Å; F270-W274 AromaticContact CE1-CD1 3.92Å; F270-W274 HydrophobicContact CE1-CG 4.18Å; F270-W274 AromaticContact CE2-CD1 3.26Å; F270-W274 HydrophobicContact CE2-CG 4.05Å; F270-W274 AromaticContact CE2-NE1 3.32Å; F270-W274 VanDerWaalsContact CE2-NE1 3.32Å; F270-W274 AromaticContact CG-CD1 3.85Å; F270-W274 HydrophobicContact CZ-CB 4.33Å; F270-W274 AromaticContact CZ-CD1 3.5Å; F270-W274 HydrophobicContact CZ-CD2 4.46Å; F270-W274 AromaticContact CZ-CG 3.85Å; F270-W274 HydrophobicContact CZ-CG 3.85Å; F270-W274 AromaticContact CZ-NE1 3.9Å; F270-W274 WeakPolarHBondContact O-CB 3.48Å; F270-W274 PolarHBondContact O-N 3.44Å; F270-N309 WeakPolarHBondContact CA-OD1 3.41Å |
| 271 | V | 91.9 | Very high | 87.9 | Confident | 33 Ų | 33 | 40.6 Ų | 40.6 | 20% | 0.2 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.7 | -47.8 | 177 | 167.4 | 0 | 0 | 0 | 0 | 111.1 | F222 L226 V267 V268 V269 C273 L275 | F222-V271 HydrophobicContact CZ-CG1 4.28Å; F222-V271 HydrophobicContact CZ-CG2 4.32Å; L226-V271 HydrophobicContact CD1-CG2 3.6Å; L226-V271 HydrophobicContact CD2-CG2 4.04Å; L226-V271 HydrophobicContact CG-CG2 4.48Å; V267-V271 WeakPolarHBondContact O-CG2 3.48Å; V267-V271 PolarHBondContact O-N 2.91Å; V268-V271 PolarHBondContact O-N 3.45Å; V269-V271 VanDerWaalsContact C-N 3.33Å; V269-V271 PolarHBondContact O-N 2.92Å; V271-C273 VanDerWaalsContact C-N 3.29Å; V271-C273 PolarHBondContact O-N 3.28Å; V271-L275 HydrophobicContact CG1-CB 4.5Å; V271-L275 HydrophobicContact CG1-CD2 4.49Å; V271-L275 WeakPolarHBondContact O-CB 3.09Å; V271-L275 PolarHBondContact O-N 2.86Å |
| 272 | L | 93.4 | Very high | 88.1 | Confident | 111 Ų | 111 | 36.3 Ų | 36.3 | 58% | 0.581 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -62.4 | -36.4 | 179.1 | -69.9 | 171.7 | 0 | 0 | 0 | 112.3 | V268 V269 P276 L305 | V268-L272 HydrophobicContact CG1-CD1 3.95Å; V268-L272 HydrophobicContact CG1-CG 4.43Å; V268-L272 VanDerWaalsContact O-CG 3.31Å; V268-L272 WeakPolarHBondContact O-CG 3.39Å; V268-L272 PolarHBondContact O-N 3.39Å; V269-L272 PolarHBondContact O-N 3.27Å; L272-P276 VanDerWaalsContact O-CD 3.32Å; L272-P276 WeakPolarHBondContact O-CD 3.07Å; L272-L305 WeakPolarHBondContact O-CD2 3.41Å |
| 273 | C | 92.6 | Very high | 88.4 | Confident | 12 Ų | 12 | 38.7 Ų | 38.7 | 8% | 0.081 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.1 | -42.7 | 179.5 | -76.8 | 0 | 0 | 0 | 0 | 114.1 | V269 F270 V271 L305 N309 | V269-C273 WeakPolarHBondContact O-CB 3.35Å; V269-C273 PolarHBondContact O-N 3.47Å; V269-C273 PolarHBondContact O-SG 3.28Å; F270-C273 PolarHBondContact O-N 3.22Å; V271-C273 VanDerWaalsContact C-N 3.29Å; V271-C273 PolarHBondContact O-N 3.28Å; C273-L305 VanDerWaalsContact CB-O 3.26Å; C273-L305 WeakPolarHBondContact CB-O 3.33Å; C273-L305 PolarHBondContact SG-O 3.44Å; C273-N309 HydrophobicContact CB-CB 3.79Å |
| 274 | W | 92.3 | Very high | 88.4 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.011 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -96.3 | -24.7 | -172.4 | -72.4 | 96.1 | 0 | 0 | 0 | 114.4 | Y100 Q134 F222 F270 F277 Y278 | Y100-W274 HydrophobicContact CE1-CZ2 4.33Å; Y100-W274 HydrophobicContact CE2-CH2 4.43Å; Y100-W274 AromaticContact CZ-CH2 3.89Å; Y100-W274 WeakPolarHBondContact OH-CH2 3.4Å; Q134-W274 HydrophobicContact CB-CH2 3.75Å; Q134-W274 HydrophobicContact CB-CZ2 4.12Å; Q134-W274 HydrophobicContact CB-CZ3 4.2Å; Q134-W274 HydrophobicContact CG-CE3 4.17Å; Q134-W274 HydrophobicContact CG-CH2 3.9Å; Q134-W274 HydrophobicContact CG-CZ2 4.28Å; Q134-W274 HydrophobicContact CG-CZ3 3.87Å; F222-W274 HydrophobicContact CD2-CB 4.11Å; F222-W274 HydrophobicContact CE2-CB 3.98Å; F270-W274 AromaticContact CD2-CD1 3.44Å; F270-W274 VanDerWaalsContact CD2-CD1 3.44Å; F270-W274 HydrophobicContact CD2-CG 4.49Å; F270-W274 AromaticContact CD2-NE1 3.66Å; F270-W274 HydrophobicContact CE1-CB 4.21Å; F270-W274 AromaticContact CE1-CD1 3.92Å; F270-W274 HydrophobicContact CE1-CG 4.18Å; F270-W274 AromaticContact CE2-CD1 3.26Å; F270-W274 HydrophobicContact CE2-CG 4.05Å; F270-W274 AromaticContact CE2-NE1 3.32Å; F270-W274 VanDerWaalsContact CE2-NE1 3.32Å; F270-W274 AromaticContact CG-CD1 3.85Å; F270-W274 HydrophobicContact CZ-CB 4.33Å; F270-W274 AromaticContact CZ-CD1 3.5Å; F270-W274 HydrophobicContact CZ-CD2 4.46Å; F270-W274 AromaticContact CZ-CG 3.85Å; F270-W274 HydrophobicContact CZ-CG 3.85Å; F270-W274 AromaticContact CZ-NE1 3.9Å; F270-W274 WeakPolarHBondContact O-CB 3.48Å; F270-W274 PolarHBondContact O-N 3.44Å; W274-F277 HydrophobicContact CE3-CD1 4.32Å; W274-F277 HydrophobicContact CZ3-CD1 4.5Å; W274-F277 PolarHBondContact O-N 2.94Å; W274-Y278 HydrophobicContact CB-CD2 4.17Å; W274-Y278 HydrophobicContact CB-CE2 4.08Å; W274-Y278 HydrophobicContact CE3-CE2 4.25Å; W274-Y278 VanDerWaalsContact O-CD2 3.25Å; W274-Y278 WeakPolarHBondContact O-CD2 3.01Å; W274-Y278 PolarHBondContact O-N 2.86Å; W274-Y278 VanDerWaalsContact O-N 3.15Å |
| 275 | L | 93.2 | Very high | 88 | Confident | 59 Ų | 59 | 39.5 Ų | 39.5 | 31% | 0.309 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.4 | -43.5 | -178.5 | -179.2 | 65.7 | 0 | 0 | 0 | 113.5 | F222 V271 F277 Y278 I279 | F222-L275 HydrophobicContact CE1-CD1 3.67Å; F222-L275 HydrophobicContact CE2-CB 4.42Å; F222-L275 HydrophobicContact CZ-CB 3.82Å; F222-L275 HydrophobicContact CZ-CD1 3.81Å; F222-L275 HydrophobicContact CZ-CG 4.4Å; V271-L275 HydrophobicContact CG1-CB 4.5Å; V271-L275 HydrophobicContact CG1-CD2 4.49Å; V271-L275 WeakPolarHBondContact O-CB 3.09Å; V271-L275 PolarHBondContact O-N 2.86Å; L275-F277 PolarHBondContact O-N 3.45Å; L275-Y278 PolarHBondContact O-N 3.3Å; L275-I279 HydrophobicContact CD1-CD1 3.77Å; L275-I279 HydrophobicContact CD1-CG1 3.89Å; L275-I279 HydrophobicContact CD2-CD1 4.23Å; L275-I279 HydrophobicContact CG-CD1 3.67Å; L275-I279 HydrophobicContact CG-CG1 4.18Å; L275-I279 WeakPolarHBondContact O-CG1 3.48Å; L275-I279 PolarHBondContact O-N 3.13Å |
| 276 | P | 92.8 | Very high | 87.5 | Confident | 36 Ų | 36 | 43 Ų | 43 | 23% | 0.234 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 179 | -25.1 | 37.3 | 0 | 0 | 0 | 112.1 | L272 Y278 I279 I280 A302 L305 | L272-P276 VanDerWaalsContact O-CD 3.32Å; L272-P276 WeakPolarHBondContact O-CD 3.07Å; P276-Y278 PolarHBondContact O-N 3.06Å; P276-I279 PolarHBondContact O-N 3.18Å; P276-I280 WeakPolarHBondContact O-CB 3.46Å; P276-I280 VanDerWaalsContact O-CD1 3.31Å; P276-I280 WeakPolarHBondContact O-CD1 3.38Å; P276-I280 WeakPolarHBondContact O-CG1 3.34Å; P276-I280 PolarHBondContact O-N 3.24Å; P276-A302 HydrophobicContact CB-CB 3.99Å; P276-L305 HydrophobicContact CG-CD2 3.96Å |
| 277 | F | 90.3 | Very high | 86.9 | Confident | 55 Ų | 55 | 46.7 Ų | 46.7 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.7 | -48.9 | 176.7 | 176 | -91.9 | 0 | 0 | 0 | 111.6 | W274 L275 I280 N281 V303 | W274-F277 HydrophobicContact CE3-CD1 4.32Å; W274-F277 HydrophobicContact CZ3-CD1 4.5Å; W274-F277 PolarHBondContact O-N 2.94Å; L275-F277 PolarHBondContact O-N 3.45Å; F277-I280 PolarHBondContact O-N 2.98Å; F277-N281 WeakPolarHBondContact CE2-ND2 2.98Å; F277-N281 WeakPolarHBondContact CZ-ND2 3.34Å; F277-N281 PolarHBondContact O-N 2.91Å; F277-N281 VanDerWaalsContact O-N 3.07Å; F277-N281 PolarHBondContact O-ND2 2.94Å; F277-V303 HydrophobicContact CD2-CG2 4.34Å |
| 278 | Y | 89.7 | Confident | 86.1 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69 | -38.7 | 179.6 | -75.2 | -66.8 | 0 | 0 | 0 | 113.6 | Q134 T217 A218 G221 F222 W274 L275 P276 M282 | Q134-Y278 WeakPolarHBondContact CG-OH 3.46Å; Q134-Y278 PolarHBondContact NE2-OH 3.45Å; Q134-Y278 VanDerWaalsContact NE2-OH 3.15Å; Q134-Y278 PolarHBondContact OE1-OH 3.29Å; T217-Y278 PolarHBondContact O-OH 3.02Å; A218-Y278 HydrophobicContact CB-CD1 3.83Å; A218-Y278 HydrophobicContact CB-CE1 4.18Å; G221-Y278 WeakPolarHBondContact CA-OH 3.4Å; G221-Y278 PolarHBondContact O-OH 2.89Å; F222-Y278 HydrophobicContact CB-CD2 3.66Å; F222-Y278 HydrophobicContact CB-CE1 4.39Å; F222-Y278 HydrophobicContact CB-CE2 3.47Å; F222-Y278 VanDerWaalsContact CB-CE2 3.47Å; F222-Y278 HydrophobicContact CB-CG 4.19Å; F222-Y278 HydrophobicContact CD1-CD2 4.4Å; F222-Y278 AromaticContact CD2-CD2 3.55Å; F222-Y278 HydrophobicContact CD2-CD2 3.55Å; F222-Y278 AromaticContact CD2-CE2 3.61Å; F222-Y278 HydrophobicContact CD2-CE2 3.61Å; F222-Y278 HydrophobicContact CE2-CD2 4.3Å; F222-Y278 AromaticContact CG-CD2 3.61Å; F222-Y278 HydrophobicContact CG-CD2 3.61Å; F222-Y278 AromaticContact CG-CE2 3.79Å; F222-Y278 HydrophobicContact CG-CE2 3.79Å; F222-Y278 HydrophobicContact CG-CG 4.32Å; W274-Y278 HydrophobicContact CB-CD2 4.17Å; W274-Y278 HydrophobicContact CB-CE2 4.08Å; W274-Y278 HydrophobicContact CE3-CE2 4.25Å; W274-Y278 VanDerWaalsContact O-CD2 3.25Å; W274-Y278 WeakPolarHBondContact O-CD2 3.01Å; W274-Y278 PolarHBondContact O-N 2.86Å; W274-Y278 VanDerWaalsContact O-N 3.15Å; L275-Y278 PolarHBondContact O-N 3.3Å; P276-Y278 PolarHBondContact O-N 3.06Å; Y278-M282 WeakPolarHBondContact O-CB 3.36Å; Y278-M282 WeakPolarHBondContact O-CG 3.38Å; Y278-M282 PolarHBondContact O-N 2.94Å |
| 279 | I | 90.3 | Very high | 84.9 | Confident | 86 Ų | 86 | 50.9 Ų | 50.9 | 44% | 0.441 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 175.1 | -72.3 | 175.3 | 0 | 0 | 0 | 110 | L275 P276 N281 M282 V283 | L275-I279 HydrophobicContact CD1-CD1 3.77Å; L275-I279 HydrophobicContact CD1-CG1 3.89Å; L275-I279 HydrophobicContact CD2-CD1 4.23Å; L275-I279 HydrophobicContact CG-CD1 3.67Å; L275-I279 HydrophobicContact CG-CG1 4.18Å; L275-I279 WeakPolarHBondContact O-CG1 3.48Å; L275-I279 PolarHBondContact O-N 3.13Å; P276-I279 PolarHBondContact O-N 3.18Å; I279-N281 PolarHBondContact O-N 3.28Å; I279-M282 PolarHBondContact O-N 3.42Å; I279-V283 HydrophobicContact CG2-CG2 4.23Å; I279-V283 WeakPolarHBondContact O-CG2 3.5Å; I279-V283 PolarHBondContact O-N 3.06Å |
| 280 | I | 87.1 | Confident | 83.9 | Confident | 21 Ų | 21 | 54 Ų | 54 | 11% | 0.108 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62 | -45.3 | -177.3 | -69.4 | 162.7 | 0 | 0 | 0 | 111.1 | P276 F277 M282 V283 N284 I298 Y299 A302 | P276-I280 WeakPolarHBondContact O-CB 3.46Å; P276-I280 VanDerWaalsContact O-CD1 3.31Å; P276-I280 WeakPolarHBondContact O-CD1 3.38Å; P276-I280 WeakPolarHBondContact O-CG1 3.34Å; P276-I280 PolarHBondContact O-N 3.24Å; F277-I280 PolarHBondContact O-N 2.98Å; I280-M282 VanDerWaalsContact C-N 3.31Å; I280-M282 PolarHBondContact O-N 3.24Å; I280-V283 PolarHBondContact O-N 3.43Å; I280-N284 PolarHBondContact O-N 3.47Å; I280-N284 VanDerWaalsContact O-N 3.09Å; I280-I298 HydrophobicContact CD1-CG2 3.63Å; I280-I298 HydrophobicContact CG1-CG2 4.29Å; I280-Y299 HydrophobicContact CG2-CD1 3.68Å; I280-Y299 HydrophobicContact CG2-CE1 3.09Å; I280-Y299 HydrophobicContact CG2-CE2 4.06Å; I280-Y299 HydrophobicContact CG2-CG 4.35Å; I280-Y299 WeakPolarHBondContact CG2-OH 3.34Å; I280-A302 HydrophobicContact CD1-CB 3.47Å; I280-A302 VanDerWaalsContact CD1-CB 3.47Å |
| 281 | N | 84.1 | Confident | 82.9 | Confident | 31 Ų | 31 | 62.1 Ų | 62.1 | 17% | 0.166 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.2 | -37.9 | 175.6 | -82.4 | -84.7 | 0 | 0 | 0 | 112.5 | I214 F277 I279 | I214-N281 HydrophobicContact CG2-CB 4.05Å; F277-N281 WeakPolarHBondContact CE2-ND2 2.98Å; F277-N281 WeakPolarHBondContact CZ-ND2 3.34Å; F277-N281 PolarHBondContact O-N 2.91Å; F277-N281 VanDerWaalsContact O-N 3.07Å; F277-N281 PolarHBondContact O-ND2 2.94Å; I279-N281 PolarHBondContact O-N 3.28Å |
| 282 | M | 85.1 | Confident | 82.2 | Confident | 64 Ų | 64 | 63 Ų | 63 | 32% | 0.315 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -74.3 | -33.3 | 178.1 | -67.1 | -73.2 | -97 | 0 | 0 | 112.8 | I214 I215 A218 Y278 I279 I280 L285 | I214-M282 HydrophobicContact CG2-SD 3.99Å; I215-M282 HydrophobicContact CG1-SD 4.41Å; A218-M282 HydrophobicContact CB-CE 4.3Å; A218-M282 HydrophobicContact CB-CG 4.49Å; A218-M282 HydrophobicContact CB-SD 4.09Å; Y278-M282 WeakPolarHBondContact O-CB 3.36Å; Y278-M282 WeakPolarHBondContact O-CG 3.38Å; Y278-M282 PolarHBondContact O-N 2.94Å; I279-M282 PolarHBondContact O-N 3.42Å; I280-M282 VanDerWaalsContact C-N 3.31Å; I280-M282 PolarHBondContact O-N 3.24Å; M282-L285 PolarHBondContact O-N 2.97Å; M282-L285 HydrophobicContact SD-CD1 4.15Å |
| 283 | V | 85.2 | Confident | 81.2 | Confident | 59 Ų | 59 | 61 Ų | 61 | 36% | 0.358 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.4 | -39.6 | 175.2 | 173 | 0 | 0 | 0 | 0 | 111.1 | I279 I280 L285 V286 V287 I289 | I279-V283 HydrophobicContact CG2-CG2 4.23Å; I279-V283 WeakPolarHBondContact O-CG2 3.5Å; I279-V283 PolarHBondContact O-N 3.06Å; I280-V283 PolarHBondContact O-N 3.43Å; V283-L285 PolarHBondContact O-N 3.02Å; V283-L285 VanDerWaalsContact O-N 3.14Å; V283-V286 PolarHBondContact O-N 3.27Å; V283-V287 HydrophobicContact CG1-CB 4.32Å; V283-V287 PolarHBondContact O-N 3.22Å; V283-I289 HydrophobicContact CG1-CD1 3.92Å; V283-I289 HydrophobicContact CG1-CG1 4.4Å |
| 284 | N | 78.9 | Confident | 80.4 | Confident | 26 Ų | 26 | 65.2 Ų | 65.2 | 14% | 0.139 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55.7 | -26.7 | 174.3 | -99.8 | -7.4 | 0 | 0 | 0 | 114.2 | Y29 I280 V286 Y299 | Y29-N284 PolarHBondContact OH-OD1 2.99Å; I280-N284 PolarHBondContact O-N 3.47Å; I280-N284 VanDerWaalsContact O-N 3.09Å; N284-V286 VanDerWaalsContact C-N 3.28Å; N284-V286 PolarHBondContact O-N 3.04Å; N284-Y299 PolarHBondContact ND2-OH 3.36Å; N284-Y299 PolarHBondContact OD1-OH 3.13Å |
| 285 | L | 75.4 | Confident | 79.6 | Confident | 51 Ų | 51 | 66.2 Ų | 66.2 | 27% | 0.267 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -17.9 | 177.1 | -63.8 | 178.6 | 0 | 0 | 0 | 113.6 | T211 I214 I215 M282 V283 | T211-L285 HydrophobicContact CG2-CD1 4.22Å; T211-L285 HydrophobicContact CG2-CD2 4.17Å; I214-L285 HydrophobicContact CB-CD1 4.05Å; I214-L285 HydrophobicContact CB-CD2 4.43Å; I214-L285 HydrophobicContact CD1-CD2 3.8Å; I214-L285 HydrophobicContact CD1-CG 4.44Å; I214-L285 HydrophobicContact CG2-CD1 3.66Å; I214-L285 HydrophobicContact CG2-CG 4.19Å; I215-L285 HydrophobicContact CG1-CD1 4.04Å; M282-L285 PolarHBondContact O-N 2.97Å; M282-L285 HydrophobicContact SD-CD1 4.15Å; V283-L285 PolarHBondContact O-N 3.02Å; V283-L285 VanDerWaalsContact O-N 3.14Å |
| 286 | V | 75.2 | Confident | 78.8 | Confident | 124 Ų | 124 | 65 Ų | 65 | 75% | 0.752 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.4 | -28.6 | -168.6 | -172.5 | 0 | 0 | 0 | 0 | 112.1 | V283 N284 | V283-V286 PolarHBondContact O-N 3.27Å; N284-V286 VanDerWaalsContact C-N 3.28Å; N284-V286 PolarHBondContact O-N 3.04Å |
| 287 | V | 73.2 | Confident | 78 | Confident | 79 Ų | 79 | 65 Ų | 65 | 48% | 0.479 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -130.9 | 127.6 | -176.3 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | Y29 V283 I289 | Y29-V287 PolarHBondContact OH-O 2.98Å; V283-V287 HydrophobicContact CG1-CB 4.32Å; V283-V287 PolarHBondContact O-N 3.22Å; V287-I289 PolarHBondContact O-N 2.93Å; V287-I289 VanDerWaalsContact O-N 3.07Å |
| 288 | I | 69.3 | Low | 77.7 | Confident | 138 Ų | 138 | 66.5 Ų | 66.5 | 71% | 0.708 | 39% | 0.385 | S | S | * | . | trans | -70.3 | 101.6 | 167.3 | -54.8 | 173.7 | 0 | 0 | 0 | 107.3 | Y29 | Y29-I288 HydrophobicContact CD1-CG1 4.38Å; Y29-I288 HydrophobicContact CE1-CB 4.18Å; Y29-I288 HydrophobicContact CE1-CG1 3.93Å; Y29-I288 HydrophobicContact CE1-CG2 4.12Å | ||
| 289 | I | 64.5 | Low | 77.2 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 22% | 0.215 | 39% | 0.393 | C | S | . | . | trans | -77.8 | 127.5 | 179.4 | -49.3 | -174.5 | 0 | 0 | 0 | 108.8 | Y29 V283 V287 E291 T295 | Y29-I289 PolarHBondContact OH-N 3.1Å; V283-I289 HydrophobicContact CG1-CD1 3.92Å; V283-I289 HydrophobicContact CG1-CG1 4.4Å; V287-I289 PolarHBondContact O-N 2.93Å; V287-I289 VanDerWaalsContact O-N 3.07Å; I289-E291 PolarHBondContact O-N 2.67Å; I289-T295 HydrophobicContact CB-CG2 4.44Å; I289-T295 HydrophobicContact CG2-CG2 3.61Å | ||
| 290 | P | 68.9 | Low | 76.8 | Confident | 96 Ų | 96 | 67 Ų | 67 | 62% | 0.623 | 38% | 0.383 | S | S | * | . | trans | -61.3 | 123.5 | 178.2 | -24.9 | 34.9 | 0 | 0 | 0 | 112.7 | S292 T295 | P290-S292 PolarHBondContact O-N 3.31Å; P290-S292 PolarHBondContact O-OG 2.94Å; P290-T295 PolarHBondContact O-OG1 3.4Å | ||
| 291 | E | 68.6 | Low | 76.7 | Confident | 175 Ų | 175 | 71.8 Ų | 71.8 | 82% | 0.818 | 40% | 0.404 | S | S | * | . | trans | -49.7 | 104 | 167.8 | -74.9 | -73.9 | 169.7 | 0 | 0 | 109.7 | I289 | I289-E291 PolarHBondContact O-N 2.67Š| ||
| 292 | S | 75.8 | Confident | 76.9 | Confident | 50 Ų | 50 | 70.4 Ų | 70.4 | 35% | 0.35 | 40% | 0.397 | S | S | . | . | trans | -153.7 | 153.1 | -174.3 | 56.8 | 0 | 0 | 0 | 0 | 110.7 | P290 V294 T295 A296 | P290-S292 PolarHBondContact O-N 3.31Å; P290-S292 PolarHBondContact O-OG 2.94Å; S292-V294 PolarHBondContact O-N 2.55Å; S292-T295 WeakPolarHBondContact O-CB 3.35Å; S292-T295 PolarHBondContact O-N 3.29Å; S292-T295 VanDerWaalsContact O-N 3.09Å; S292-T295 WeakPolarHBondContact OG-CB 3.49Å; S292-T295 PolarHBondContact OG-OG1 3Å; S292-A296 PolarHBondContact O-N 3.22Å | ||
| 293 | S | 72.9 | Confident | 76.9 | Confident | 69 Ų | 69 | 69.2 Ų | 69.2 | 48% | 0.483 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.8 | -34.1 | -177.6 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | G297 | S293-G297 PolarHBondContact O-N 3.06Å |
| 294 | V | 76 | Confident | 77 | Confident | 102 Ų | 102 | 67.4 Ų | 67.4 | 62% | 0.618 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.6 | -49.3 | 174.4 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | S292 G297 I298 | S292-V294 PolarHBondContact O-N 2.55Å; V294-G297 PolarHBondContact O-N 3.36Å; V294-I298 HydrophobicContact CG1-CD1 4.02Å; V294-I298 WeakPolarHBondContact O-CG1 3.27Å; V294-I298 PolarHBondContact O-N 3.39Å |
| 295 | T | 75.4 | Confident | 77.6 | Confident | 24 Ų | 24 | 68.3 Ų | 68.3 | 15% | 0.147 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.6 | -52.1 | 177 | -65.9 | 0 | 0 | 0 | 0 | 110.8 | I289 P290 S292 G297 I298 Y299 | I289-T295 HydrophobicContact CB-CG2 4.44Å; I289-T295 HydrophobicContact CG2-CG2 3.61Å; P290-T295 PolarHBondContact O-OG1 3.4Å; S292-T295 WeakPolarHBondContact O-CB 3.35Å; S292-T295 PolarHBondContact O-N 3.29Å; S292-T295 VanDerWaalsContact O-N 3.09Å; S292-T295 WeakPolarHBondContact OG-CB 3.49Å; S292-T295 PolarHBondContact OG-OG1 3Å; T295-G297 VanDerWaalsContact C-N 3.28Å; T295-G297 PolarHBondContact O-N 3.42Å; T295-I298 WeakPolarHBondContact O-CA 3.43Å; T295-I298 WeakPolarHBondContact O-CB 3.38Å; T295-I298 PolarHBondContact O-N 3.5Å; T295-Y299 HydrophobicContact CG2-CD2 3.92Å; T295-Y299 HydrophobicContact CG2-CE2 3.51Å; T295-Y299 VanDerWaalsContact O-CD2 3.23Å; T295-Y299 WeakPolarHBondContact O-CD2 3.39Å; T295-Y299 PolarHBondContact O-N 2.87Å |
| 296 | A | 75.3 | Confident | 78.3 | Confident | 33 Ų | 33 | 66 Ų | 66 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57 | -39.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | P24 S292 I298 Y299 F300 | P24-A296 HydrophobicContact CG-CB 4.38Å; S292-A296 PolarHBondContact O-N 3.22Å; A296-I298 VanDerWaalsContact C-N 3.33Å; A296-I298 PolarHBondContact O-N 2.96Å; A296-Y299 PolarHBondContact O-N 3.42Å; A296-F300 WeakPolarHBondContact O-CB 3.36Å; A296-F300 PolarHBondContact O-N 3.41Å |
| 297 | G | 77.8 | Confident | 79 | Confident | 36 Ų | 36 | 60.6 Ų | 60.6 | 37% | 0.371 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.3 | -34.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S293 V294 T295 F301 | S293-G297 PolarHBondContact O-N 3.06Å; V294-G297 PolarHBondContact O-N 3.36Å; T295-G297 VanDerWaalsContact C-N 3.28Å; T295-G297 PolarHBondContact O-N 3.42Å; G297-F301 WeakPolarHBondContact O-CB 3.32Å; G297-F301 PolarHBondContact O-N 2.87Å |
| 298 | I | 83 | Confident | 79.8 | Confident | 86 Ų | 86 | 58.3 Ų | 58.3 | 44% | 0.441 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.1 | -43.5 | 176.2 | -69.1 | 164.7 | 0 | 0 | 0 | 111.2 | I280 V294 T295 A296 F301 A302 | I280-I298 HydrophobicContact CD1-CG2 3.63Å; I280-I298 HydrophobicContact CG1-CG2 4.29Å; V294-I298 HydrophobicContact CG1-CD1 4.02Å; V294-I298 WeakPolarHBondContact O-CG1 3.27Å; V294-I298 PolarHBondContact O-N 3.39Å; T295-I298 WeakPolarHBondContact O-CA 3.43Å; T295-I298 WeakPolarHBondContact O-CB 3.38Å; T295-I298 PolarHBondContact O-N 3.5Å; A296-I298 VanDerWaalsContact C-N 3.33Å; A296-I298 PolarHBondContact O-N 2.96Å; I298-F301 PolarHBondContact O-N 3.31Å; I298-A302 WeakPolarHBondContact O-CB 3.41Å; I298-A302 PolarHBondContact O-N 3.26Å |
| 299 | Y | 80.1 | Confident | 80.8 | Confident | 49 Ų | 49 | 51.8 Ų | 51.8 | 19% | 0.192 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.1 | -51.1 | 171.9 | -79 | -86.9 | 0 | 0 | 0 | 111.1 | I280 N284 T295 A296 F301 A302 V303 | I280-Y299 HydrophobicContact CG2-CD1 3.68Å; I280-Y299 HydrophobicContact CG2-CE1 3.09Å; I280-Y299 HydrophobicContact CG2-CE2 4.06Å; I280-Y299 HydrophobicContact CG2-CG 4.35Å; I280-Y299 WeakPolarHBondContact CG2-OH 3.34Å; N284-Y299 PolarHBondContact ND2-OH 3.36Å; N284-Y299 PolarHBondContact OD1-OH 3.13Å; T295-Y299 HydrophobicContact CG2-CD2 3.92Å; T295-Y299 HydrophobicContact CG2-CE2 3.51Å; T295-Y299 VanDerWaalsContact O-CD2 3.23Å; T295-Y299 WeakPolarHBondContact O-CD2 3.39Å; T295-Y299 PolarHBondContact O-N 2.87Å; A296-Y299 PolarHBondContact O-N 3.42Å; Y299-F301 VanDerWaalsContact C-N 3.34Å; Y299-F301 PolarHBondContact O-N 3.48Å; Y299-A302 PolarHBondContact O-N 2.02Å; Y299-V303 WeakPolarHBondContact O-CG2 3.35Å; Y299-V303 PolarHBondContact O-N 2.64Å |
| 300 | F | 82 | Confident | 81.9 | Confident | 51 Ų | 51 | 49.8 Ų | 49.8 | 22% | 0.224 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.3 | -47.6 | 179.2 | 174.1 | -107.9 | 0 | 0 | 0 | 111.9 | T54 I57 Y58 A296 A302 V303 V304 | T54-F300 HydrophobicContact CG2-CD2 4.22Å; T54-F300 HydrophobicContact CG2-CE2 3.46Å; T54-F300 VanDerWaalsContact CG2-CE2 3.46Å; T54-F300 HydrophobicContact CG2-CZ 3.87Å; T54-F300 WeakPolarHBondContact OG1-CZ 3.42Å; I57-F300 HydrophobicContact CB-CZ 4.42Å; I57-F300 HydrophobicContact CD1-CE1 4.05Å; I57-F300 HydrophobicContact CD1-CZ 4.25Å; I57-F300 HydrophobicContact CG2-CZ 4.34Å; Y58-F300 HydrophobicContact CD2-CE2 4.38Å; Y58-F300 HydrophobicContact CE1-CE2 4.11Å; Y58-F300 HydrophobicContact CE2-CD2 4.43Å; Y58-F300 AromaticContact CE2-CE2 3.72Å; Y58-F300 HydrophobicContact CE2-CE2 3.72Å; Y58-F300 AromaticContact CZ-CE2 3.56Å; A296-F300 WeakPolarHBondContact O-CB 3.36Å; A296-F300 PolarHBondContact O-N 3.41Å; F300-A302 PolarHBondContact O-N 3.5Å; F300-V303 PolarHBondContact O-N 2.82Å; F300-V304 HydrophobicContact CD1-CG2 4.4Å; F300-V304 HydrophobicContact CD2-CG2 4.06Å; F300-V304 HydrophobicContact CE1-CG2 3.87Å; F300-V304 HydrophobicContact CE2-CG2 3.46Å; F300-V304 VanDerWaalsContact CE2-CG2 3.46Å; F300-V304 HydrophobicContact CG-CG2 4.48Å; F300-V304 HydrophobicContact CZ-CG2 3.36Å; F300-V304 WeakPolarHBondContact O-CB 3.21Å; F300-V304 WeakPolarHBondContact O-CG2 3.1Å; F300-V304 PolarHBondContact O-N 3.14Å |
| 301 | F | 84.5 | Confident | 82.8 | Confident | 123 Ų | 123 | 45.9 Ų | 45.9 | 54% | 0.539 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 177.1 | 177.3 | -100.2 | 0 | 0 | 0 | 112.3 | G297 I298 Y299 V303 V304 L305 | G297-F301 WeakPolarHBondContact O-CB 3.32Å; G297-F301 PolarHBondContact O-N 2.87Å; I298-F301 PolarHBondContact O-N 3.31Å; Y299-F301 VanDerWaalsContact C-N 3.34Å; Y299-F301 PolarHBondContact O-N 3.48Å; F301-V303 PolarHBondContact O-N 2.75Å; F301-V304 PolarHBondContact O-N 2.89Å; F301-L305 HydrophobicContact CE1-CD2 4.2Å; F301-L305 HydrophobicContact CZ-CD1 4.26Å; F301-L305 HydrophobicContact CZ-CD2 4.41Å; F301-L305 VanDerWaalsContact O-CB 3.28Å; F301-L305 WeakPolarHBondContact O-CB 3.32Å; F301-L305 PolarHBondContact O-N 3.34Å |
| 302 | A | 88.1 | Confident | 83.5 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65 | -38.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P276 I280 I298 Y299 F300 L305 S306 | P276-A302 HydrophobicContact CB-CB 3.99Å; I280-A302 HydrophobicContact CD1-CB 3.47Å; I280-A302 VanDerWaalsContact CD1-CB 3.47Å; I298-A302 WeakPolarHBondContact O-CB 3.41Å; I298-A302 PolarHBondContact O-N 3.26Å; Y299-A302 PolarHBondContact O-N 2.02Å; F300-A302 PolarHBondContact O-N 3.5Å; A302-L305 PolarHBondContact O-N 3.15Å; A302-S306 PolarHBondContact O-N 3.3Å; A302-S306 VanDerWaalsContact O-N 3.13Å |
| 303 | V | 85.3 | Confident | 83.6 | Confident | 39 Ų | 39 | 36.3 Ų | 36.3 | 24% | 0.236 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.2 | -46 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | F277 Y299 F300 F301 L305 S306 Y307 | F277-V303 HydrophobicContact CD2-CG2 4.34Å; Y299-V303 WeakPolarHBondContact O-CG2 3.35Å; Y299-V303 PolarHBondContact O-N 2.64Å; F300-V303 PolarHBondContact O-N 2.82Å; F301-V303 PolarHBondContact O-N 2.75Å; V303-L305 PolarHBondContact O-N 2.89Å; V303-S306 PolarHBondContact O-N 3.41Å; V303-S306 PolarHBondContact O-OG 3.48Å; V303-Y307 HydrophobicContact CG1-CD2 4.06Å; V303-Y307 HydrophobicContact CG1-CE2 3.61Å; V303-Y307 WeakPolarHBondContact O-CD2 3.16Å; V303-Y307 PolarHBondContact O-N 3.49Å |
| 304 | V | 87.4 | Confident | 83.6 | Confident | 21 Ų | 21 | 33.7 Ų | 33.7 | 13% | 0.127 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.5 | -41.4 | 172.4 | 166.8 | 0 | 0 | 0 | 0 | 111.2 | I57 Y58 F300 F301 S306 Y307 A308 | I57-V304 HydrophobicContact CG2-CB 4.34Å; I57-V304 HydrophobicContact CG2-CG1 3.51Å; I57-V304 HydrophobicContact CG2-CG2 3.79Å; Y58-V304 HydrophobicContact CD1-CG2 4.02Å; Y58-V304 HydrophobicContact CE1-CB 4.47Å; Y58-V304 HydrophobicContact CE1-CG2 3.46Å; Y58-V304 VanDerWaalsContact CE1-CG2 3.46Å; F300-V304 HydrophobicContact CD1-CG2 4.4Å; F300-V304 HydrophobicContact CD2-CG2 4.06Å; F300-V304 HydrophobicContact CE1-CG2 3.87Å; F300-V304 HydrophobicContact CE2-CG2 3.46Å; F300-V304 VanDerWaalsContact CE2-CG2 3.46Å; F300-V304 HydrophobicContact CG-CG2 4.48Å; F300-V304 HydrophobicContact CZ-CG2 3.36Å; F300-V304 WeakPolarHBondContact O-CB 3.21Å; F300-V304 WeakPolarHBondContact O-CG2 3.1Å; F300-V304 PolarHBondContact O-N 3.14Å; F301-V304 PolarHBondContact O-N 2.89Å; V304-S306 VanDerWaalsContact C-N 3.35Å; V304-S306 PolarHBondContact O-N 2.94Å; V304-Y307 PolarHBondContact O-N 2.98Å; V304-A308 PolarHBondContact O-N 3.05Å |
| 305 | L | 90.6 | Very high | 83.3 | Confident | 45 Ų | 45 | 33.4 Ų | 33.4 | 24% | 0.236 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.1 | -31.2 | -177.7 | -158.3 | 74.9 | 0 | 0 | 0 | 112.6 | L272 C273 P276 F301 A302 V303 A308 N309 | L272-L305 WeakPolarHBondContact O-CD2 3.41Å; C273-L305 VanDerWaalsContact CB-O 3.26Å; C273-L305 WeakPolarHBondContact CB-O 3.33Å; C273-L305 PolarHBondContact SG-O 3.44Å; P276-L305 HydrophobicContact CG-CD2 3.96Å; F301-L305 HydrophobicContact CE1-CD2 4.2Å; F301-L305 HydrophobicContact CZ-CD1 4.26Å; F301-L305 HydrophobicContact CZ-CD2 4.41Å; F301-L305 VanDerWaalsContact O-CB 3.28Å; F301-L305 WeakPolarHBondContact O-CB 3.32Å; F301-L305 PolarHBondContact O-N 3.34Å; A302-L305 PolarHBondContact O-N 3.15Å; V303-L305 PolarHBondContact O-N 2.89Å; L305-A308 PolarHBondContact O-N 2.82Å; L305-N309 PolarHBondContact O-N 3.44Å |
| 306 | S | 90.8 | Very high | 83.1 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.3 | -39.7 | 171.6 | 75.5 | 0 | 0 | 0 | 0 | 111.8 | Y100 A302 V303 V304 N309 | Y100-S306 PolarHBondContact OH-OG 3.45Å; Y100-S306 VanDerWaalsContact OH-OG 3.13Å; A302-S306 PolarHBondContact O-N 3.3Å; A302-S306 VanDerWaalsContact O-N 3.13Å; V303-S306 PolarHBondContact O-N 3.41Å; V303-S306 PolarHBondContact O-OG 3.48Å; V304-S306 VanDerWaalsContact C-N 3.35Å; V304-S306 PolarHBondContact O-N 2.94Å; S306-N309 WeakPolarHBondContact O-CB 3.23Å; S306-N309 PolarHBondContact O-N 2.67Å |
| 307 | Y | 90.1 | Very high | 82.7 | Confident | 10 Ų | 10 | 32 Ų | 32 | 4% | 0.039 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.8 | -35.1 | 171.6 | -67.6 | -70.2 | 0 | 0 | 0 | 113 | Y58 Y100 L104 L107 D130 V303 V304 N309 S310 | Y58-Y307 HydrophobicContact CE1-CD2 4.27Å; Y100-Y307 AromaticContact CD1-CD1 3.79Å; Y100-Y307 HydrophobicContact CD1-CD1 3.79Å; Y100-Y307 HydrophobicContact CD1-CE1 4.18Å; Y100-Y307 HydrophobicContact CD2-CE1 4.06Å; Y100-Y307 AromaticContact CE1-CD1 3.32Å; Y100-Y307 HydrophobicContact CE1-CD1 3.32Å; Y100-Y307 AromaticContact CE1-CE1 3.72Å; Y100-Y307 HydrophobicContact CE1-CE1 3.72Å; Y100-Y307 HydrophobicContact CE1-CG 4.11Å; Y100-Y307 HydrophobicContact CE2-CD1 4.06Å; Y100-Y307 AromaticContact CE2-CE1 3.53Å; Y100-Y307 HydrophobicContact CE2-CE1 3.53Å; Y100-Y307 HydrophobicContact CG-CD1 4.35Å; Y100-Y307 HydrophobicContact CG-CE1 4.32Å; Y100-Y307 AromaticContact CZ-CD1 3.4Å; Y100-Y307 AromaticContact CZ-CE1 3.29Å; Y100-Y307 WeakPolarHBondContact OH-CE1 3.43Å; L104-Y307 HydrophobicContact CB-CE1 4.48Å; L104-Y307 HydrophobicContact CD1-CD1 4.14Å; L104-Y307 HydrophobicContact CD1-CD2 3.74Å; L104-Y307 HydrophobicContact CD1-CE1 4.09Å; L104-Y307 HydrophobicContact CD1-CE2 3.65Å; L104-Y307 HydrophobicContact CD1-CG 4.01Å; L104-Y307 HydrophobicContact CD2-CD1 4.45Å; L104-Y307 HydrophobicContact CD2-CG 4.33Å; L107-Y307 WeakPolarHBondContact CD1-OH 3.2Å; D130-Y307 WeakPolarHBondContact OD1-CE1 3.33Å; D130-Y307 PolarHBondContact OD1-OH 3.22Å; V303-Y307 HydrophobicContact CG1-CD2 4.06Å; V303-Y307 HydrophobicContact CG1-CE2 3.61Å; V303-Y307 WeakPolarHBondContact O-CD2 3.16Å; V303-Y307 PolarHBondContact O-N 3.49Å; V304-Y307 PolarHBondContact O-N 2.98Å; Y307-N309 PolarHBondContact O-N 3.16Å; Y307-N309 VanDerWaalsContact O-N 3.14Å; Y307-S310 PolarHBondContact O-N 3.14Å; Y307-S310 VanDerWaalsContact O-N 3.12Å |
| 308 | A | 89.3 | Confident | 82.1 | Confident | 30 Ų | 30 | 31.3 Ų | 31.3 | 25% | 0.248 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.5 | -20.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | V304 L305 S310 C311 A312 | V304-A308 PolarHBondContact O-N 3.05Å; L305-A308 PolarHBondContact O-N 2.82Å; A308-S310 VanDerWaalsContact C-N 3.3Å; A308-S310 PolarHBondContact O-N 3.39Å; A308-C311 WeakPolarHBondContact O-CB 3.39Å; A308-C311 PolarHBondContact O-N 2.92Å; A308-A312 PolarHBondContact O-N 3.44Å |
| 309 | N | 90 | Very high | 81.1 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.4 | -44.3 | 171.6 | -178.7 | 70.3 | 0 | 0 | 0 | 112.1 | F270 C273 L305 S306 Y307 C311 A312 N313 | F270-N309 WeakPolarHBondContact CA-OD1 3.41Å; C273-N309 HydrophobicContact CB-CB 3.79Å; L305-N309 PolarHBondContact O-N 3.44Å; S306-N309 WeakPolarHBondContact O-CB 3.23Å; S306-N309 PolarHBondContact O-N 2.67Å; Y307-N309 PolarHBondContact O-N 3.16Å; Y307-N309 VanDerWaalsContact O-N 3.14Å; N309-C311 VanDerWaalsContact C-N 3.32Å; N309-C311 PolarHBondContact O-N 3.45Å; N309-A312 PolarHBondContact O-N 3.49Å; N309-A312 VanDerWaalsContact O-N 3.16Å; N309-N313 PolarHBondContact O-ND2 3.18Å |
| 310 | S | 87.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.8 | -37.3 | 179.7 | 166.8 | 0 | 0 | 0 | 0 | 111.9 | N69 D97 I101 Y307 A308 A312 P314 | N69-S310 PolarHBondContact ND2-O 2.86Å; N69-S310 VanDerWaalsContact ND2-O 3.1Å; N69-S310 PolarHBondContact ND2-OG 3.4Å; N69-S310 VanDerWaalsContact ND2-OG 3.11Å; D97-S310 WeakPolarHBondContact CB-OG 3.32Å; D97-S310 PolarHBondContact O-OG 3.15Å; D97-S310 WeakPolarHBondContact OD1-CA 3.48Å; D97-S310 WeakPolarHBondContact OD1-CB 3.28Å; I101-S310 WeakPolarHBondContact CG1-OG 3.4Å; Y307-S310 PolarHBondContact O-N 3.14Å; Y307-S310 VanDerWaalsContact O-N 3.12Å; A308-S310 VanDerWaalsContact C-N 3.3Å; A308-S310 PolarHBondContact O-N 3.39Å; S310-A312 VanDerWaalsContact C-N 3.31Å; S310-A312 PolarHBondContact O-N 3.09Å; S310-P314 WeakPolarHBondContact O-CD 3.34Å |
| 311 | C | 87 | Confident | 79.3 | Confident | 14 Ų | 14 | 31.5 Ų | 31.5 | 10% | 0.095 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.4 | -29.7 | 175.5 | -61.7 | 0 | 0 | 0 | 0 | 113.2 | V61 V64 G65 A308 N309 | V61-C311 PolarHBondContact O-SG 3.25Å; V64-C311 HydrophobicContact CG1-CB 3.89Å; G65-C311 PolarHBondContact N-SG 3.49Å; A308-C311 WeakPolarHBondContact O-CB 3.39Å; A308-C311 PolarHBondContact O-N 2.92Å; N309-C311 VanDerWaalsContact C-N 3.32Å; N309-C311 PolarHBondContact O-N 3.45Å |
| 312 | A | 83.4 | Confident | 78.3 | Confident | 21 Ų | 21 | 29.7 Ų | 29.7 | 17% | 0.174 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -74.3 | -32.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | V269 A308 N309 S310 L315 L316 | V269-A312 HydrophobicContact CG1-CB 3.63Å; A308-A312 PolarHBondContact O-N 3.44Å; N309-A312 PolarHBondContact O-N 3.49Å; N309-A312 VanDerWaalsContact O-N 3.16Å; S310-A312 VanDerWaalsContact C-N 3.31Å; S310-A312 PolarHBondContact O-N 3.09Å; A312-L315 WeakPolarHBondContact O-CB 3.34Å; A312-L315 PolarHBondContact O-N 3.44Å; A312-L316 HydrophobicContact CB-CD1 4.48Å; A312-L316 VanDerWaalsContact O-CG 3.28Å; A312-L316 WeakPolarHBondContact O-CG 3.49Å; A312-L316 PolarHBondContact O-N 3.24Å |
| 313 | N | 78.3 | Confident | 77.1 | Confident | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.1 | -50 | -173.7 | -70.1 | -36.7 | 0 | 0 | 0 | 113.4 | L93 D97 N309 L315 L316 Y317 | L93-N313 HydrophobicContact CD2-CB 4.15Å; L93-N313 WeakPolarHBondContact CD2-ND2 3.38Å; D97-N313 PolarHBondContact OD2-ND2 2.72Å; N309-N313 PolarHBondContact O-ND2 3.18Å; N313-L315 VanDerWaalsContact C-N 3.33Å; N313-L315 PolarHBondContact O-N 3.43Å; N313-L316 PolarHBondContact O-N 2.99Å; N313-Y317 HydrophobicContact CB-CE2 4.11Å; N313-Y317 WeakPolarHBondContact O-CD2 3.16Å; N313-Y317 VanDerWaalsContact O-CG 3.32Å; N313-Y317 PolarHBondContact O-N 3.34Å |
| 314 | P | 73.3 | Confident | 76.1 | Confident | 14 Ų | 14 | 33 Ų | 33 | 9% | 0.091 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.8 | -39.6 | 173.6 | -27.1 | 35.8 | 0 | 0 | 0 | 114.1 | G68 N69 S310 Y317 G318 | G68-P314 WeakPolarHBondContact O-CB 3.22Å; G68-P314 WeakPolarHBondContact O-CG 3.02Å; N69-P314 HydrophobicContact CB-CG 4.49Å; N69-P314 VanDerWaalsContact OD1-CG 3.28Å; N69-P314 WeakPolarHBondContact OD1-CG 3.31Å; S310-P314 WeakPolarHBondContact O-CD 3.34Å; P314-Y317 PolarHBondContact O-N 3.38Å; P314-G318 PolarHBondContact O-N 2.93Å |
| 315 | L | 69.9 | Low | 75.1 | Confident | 97 Ų | 97 | 35.6 Ų | 35.6 | 51% | 0.508 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.6 | -47.7 | 177.3 | -64.8 | 173.1 | 0 | 0 | 0 | 110.7 | A312 N313 Y317 G318 F319 | A312-L315 WeakPolarHBondContact O-CB 3.34Å; A312-L315 PolarHBondContact O-N 3.44Å; N313-L315 VanDerWaalsContact C-N 3.33Å; N313-L315 PolarHBondContact O-N 3.43Å; L315-Y317 VanDerWaalsContact C-N 3.33Å; L315-Y317 PolarHBondContact O-N 3.39Å; L315-G318 CarbonylContact O-C 3.58Å; L315-G318 PolarHBondContact O-N 3.46Å; L315-G318 VanDerWaalsContact O-N 3.17Å; L315-F319 HydrophobicContact CB-CD2 4.4Å; L315-F319 HydrophobicContact CB-CE2 4.42Å; L315-F319 HydrophobicContact CD2-CE2 4.34Å; L315-F319 WeakPolarHBondContact O-CD2 3.28Å; L315-F319 PolarHBondContact O-N 2.86Å |
| 316 | L | 70.4 | Confident | 73.9 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 14% | 0.136 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60 | -42 | 178 | -68.4 | 174.9 | 0 | 0 | 0 | 111.5 | V265 I266 V269 A312 N313 F319 L320 | V265-L316 HydrophobicContact CG1-CD2 3.56Å; I266-L316 HydrophobicContact CB-CD1 4.21Å; I266-L316 HydrophobicContact CG1-CB 4.25Å; I266-L316 HydrophobicContact CG1-CD1 3.71Å; I266-L316 HydrophobicContact CG2-CD1 4.38Å; V269-L316 HydrophobicContact CB-CD1 4.31Å; V269-L316 HydrophobicContact CG2-CD1 4.12Å; A312-L316 HydrophobicContact CB-CD1 4.48Å; A312-L316 VanDerWaalsContact O-CG 3.28Å; A312-L316 WeakPolarHBondContact O-CG 3.49Å; A312-L316 PolarHBondContact O-N 3.24Å; N313-L316 PolarHBondContact O-N 2.99Å; L316-F319 PolarHBondContact O-N 3.04Å; L316-L320 HydrophobicContact CB-CD1 4.25Å; L316-L320 HydrophobicContact CD2-CD1 3.99Å; L316-L320 WeakPolarHBondContact O-CB 3.21Å; L316-L320 VanDerWaalsContact O-CG 3.27Å; L316-L320 WeakPolarHBondContact O-CG 3.49Å; L316-L320 PolarHBondContact O-N 3.11Å |
| 317 | Y | 67.6 | Low | 72.7 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.6 | -42.7 | 173.9 | -58.3 | -39.2 | 0 | 0 | 0 | 112.5 | I90 L93 I266 N313 P314 L315 F319 L320 S321 | I90-Y317 HydrophobicContact CB-CE2 4.34Å; I90-Y317 HydrophobicContact CD1-CD1 4.01Å; I90-Y317 HydrophobicContact CD1-CE1 4.12Å; I90-Y317 HydrophobicContact CD1-CG 4.35Å; I90-Y317 HydrophobicContact CG1-CD1 4.09Å; I90-Y317 HydrophobicContact CG1-CD2 4.44Å; I90-Y317 HydrophobicContact CG1-CE1 3.74Å; I90-Y317 HydrophobicContact CG1-CE2 4.1Å; I90-Y317 HydrophobicContact CG1-CG 4.44Å; I90-Y317 HydrophobicContact CG2-CD2 3.83Å; I90-Y317 HydrophobicContact CG2-CE2 3.78Å; I90-Y317 HydrophobicContact CG2-CG 4.38Å; L93-Y317 WeakPolarHBondContact CD2-OH 3.35Å; I266-Y317 HydrophobicContact CD1-CE1 3.7Å; N313-Y317 HydrophobicContact CB-CE2 4.11Å; N313-Y317 WeakPolarHBondContact O-CD2 3.16Å; N313-Y317 VanDerWaalsContact O-CG 3.32Å; N313-Y317 PolarHBondContact O-N 3.34Å; P314-Y317 PolarHBondContact O-N 3.38Å; L315-Y317 VanDerWaalsContact C-N 3.33Å; L315-Y317 PolarHBondContact O-N 3.39Å; Y317-F319 VanDerWaalsContact C-N 3.31Å; Y317-F319 PolarHBondContact O-N 3.32Å; Y317-L320 PolarHBondContact O-N 2.82Å; Y317-S321 WeakPolarHBondContact O-CB 3.3Å; Y317-S321 PolarHBondContact O-N 3.29Å |
| 318 | G | 64.9 | Low | 71.7 | Confident | 21 Ų | 21 | 42.5 Ų | 42.5 | 22% | 0.216 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.5 | -38.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | P314 L315 K325 | P314-G318 PolarHBondContact O-N 2.93Å; L315-G318 CarbonylContact O-C 3.58Å; L315-G318 PolarHBondContact O-N 3.46Å; L315-G318 VanDerWaalsContact O-N 3.17Å; G318-K325 WeakPolarHBondContact O-CE 3.46Å; G318-K325 WeakPolarHBondContact O-CG 3.47Å |
| 319 | F | 62.4 | Low | 70.7 | Confident | 145 Ų | 145 | 49.5 Ų | 49.5 | 64% | 0.636 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -91.4 | -24.8 | -178.6 | -70.2 | -63 | 0 | 0 | 0 | 114.7 | L315 L316 Y317 K325 | L315-F319 HydrophobicContact CB-CD2 4.4Å; L315-F319 HydrophobicContact CB-CE2 4.42Å; L315-F319 HydrophobicContact CD2-CE2 4.34Å; L315-F319 WeakPolarHBondContact O-CD2 3.28Å; L315-F319 PolarHBondContact O-N 2.86Å; L316-F319 PolarHBondContact O-N 3.04Å; Y317-F319 VanDerWaalsContact C-N 3.31Å; Y317-F319 PolarHBondContact O-N 3.32Å; F319-K325 VanDerWaalsContact C-CE 3.42Å; F319-K325 WeakPolarHBondContact O-CE 3.46Å; F319-K325 PolarHBondContact O-NZ 2.75Å |
| 320 | L | 59.7 | Low | 69.6 | Low | 31 Ų | 31 | 54.6 Ų | 54.6 | 16% | 0.162 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -112.2 | -24.5 | -169.5 | -57.6 | 167.1 | 0 | 0 | 0 | 114.7 | K258 M262 V265 L316 Y317 | K258-L320 VanDerWaalsContact CE-O 3.3Å; K258-L320 WeakPolarHBondContact CE-O 3.42Å; M262-L320 HydrophobicContact CB-CB 4.12Å; M262-L320 HydrophobicContact CB-CD1 4.3Å; M262-L320 HydrophobicContact CG-CB 3.6Å; M262-L320 HydrophobicContact CG-CD1 3.82Å; M262-L320 HydrophobicContact CG-CG 4.33Å; M262-L320 HydrophobicContact SD-CB 3.87Å; V265-L320 HydrophobicContact CB-CD1 4.36Å; V265-L320 HydrophobicContact CG1-CD1 4.3Å; L316-L320 HydrophobicContact CB-CD1 4.25Å; L316-L320 HydrophobicContact CD2-CD1 3.99Å; L316-L320 WeakPolarHBondContact O-CB 3.21Å; L316-L320 VanDerWaalsContact O-CG 3.27Å; L316-L320 WeakPolarHBondContact O-CG 3.49Å; L316-L320 PolarHBondContact O-N 3.11Å; Y317-L320 PolarHBondContact O-N 2.82Å |
| 321 | S | 64.8 | Low | 68.6 | Low | 15 Ų | 15 | 55.4 Ų | 55.4 | 11% | 0.105 | 27% | 0.271 | C | S | . | . | trans | -98.2 | 114.3 | -179.6 | -179.2 | 0 | 0 | 0 | 0 | 112.4 | Y317 N323 F324 K325 | Y317-S321 WeakPolarHBondContact O-CB 3.3Å; Y317-S321 PolarHBondContact O-N 3.29Å; S321-N323 VanDerWaalsContact C-N 3.31Å; S321-N323 PolarHBondContact O-N 3.18Å; S321-F324 PolarHBondContact O-N 3.46Å; S321-F324 PolarHBondContact OG-N 3.48Å; S321-K325 WeakPolarHBondContact O-CG 3.47Å; S321-K325 PolarHBondContact O-N 2.83Å | ||
| 322 | D | 63.6 | Low | 67.7 | Low | 85 Ų | 85 | 59.1 Ų | 59.1 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.1 | -36.7 | 178.9 | -59.4 | -34.2 | 0 | 0 | 0 | 112.1 | K258 F324 K325 Q326 | K258-D322 IonicContact NZ-OD1 2.67Å; K258-D322 PolarHBondContact NZ-OD1 3.44Å; K258-D322 IonicContact NZ-OD2 2.65Å; K258-D322 PolarHBondContact NZ-OD2 2.85Å; D322-F324 VanDerWaalsContact C-N 3.3Å; D322-F324 PolarHBondContact O-N 3.37Å; D322-K325 PolarHBondContact O-N 3.26Å; D322-Q326 WeakPolarHBondContact O-CB 3.21Å; D322-Q326 PolarHBondContact O-N 3.46Å |
| 323 | N | 62.3 | Low | 66.8 | Low | 96 Ų | 96 | 61.9 Ų | 61.9 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 175.5 | -65.1 | -26.3 | 0 | 0 | 0 | 110.8 | S321 S327 | S321-N323 VanDerWaalsContact C-N 3.31Å; S321-N323 PolarHBondContact O-N 3.18Å; N323-S327 WeakPolarHBondContact O-CB 3.48Å; N323-S327 PolarHBondContact O-N 2.96Å; N323-S327 VanDerWaalsContact O-N 3.09Å; N323-S327 PolarHBondContact O-OG 3.45Å |
| 324 | F | 64.1 | Low | 65.7 | Low | 15 Ų | 15 | 64.6 Ų | 64.6 | 7% | 0.066 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.5 | -46.2 | 177 | -163.9 | -87.4 | 0 | 0 | 0 | 111 | A72 V75 S321 D322 Q326 S327 F328 | A72-F324 HydrophobicContact CB-CE2 4.15Å; A72-F324 HydrophobicContact CB-CZ 4.23Å; V75-F324 HydrophobicContact CB-CE2 3.93Å; V75-F324 HydrophobicContact CB-CZ 4.22Å; V75-F324 HydrophobicContact CG1-CD2 3.87Å; V75-F324 HydrophobicContact CG1-CE2 3.73Å; V75-F324 HydrophobicContact CG1-CG 4.44Å; V75-F324 HydrophobicContact CG1-CZ 4.2Å; V75-F324 HydrophobicContact CG2-CZ 4.4Å; S321-F324 PolarHBondContact O-N 3.46Å; S321-F324 PolarHBondContact OG-N 3.48Å; D322-F324 VanDerWaalsContact C-N 3.3Å; D322-F324 PolarHBondContact O-N 3.37Å; F324-Q326 VanDerWaalsContact C-N 3.35Å; F324-Q326 PolarHBondContact O-N 3.1Å; F324-S327 PolarHBondContact O-N 2.94Å; F324-F328 HydrophobicContact CD1-CB 4.48Å; F324-F328 VanDerWaalsContact O-CB 3.25Å; F324-F328 WeakPolarHBondContact O-CB 3.27Å; F324-F328 PolarHBondContact O-N 2.89Å |
| 325 | K | 67.7 | Low | 64.6 | Low | 75 Ų | 75 | 71.2 Ų | 71.2 | 33% | 0.326 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -55 | -46.7 | 174.2 | -73.9 | 180 | -178.8 | -179.1 | 0 | 112.9 | G318 F319 S321 D322 F328 R329 | G318-K325 WeakPolarHBondContact O-CE 3.46Å; G318-K325 WeakPolarHBondContact O-CG 3.47Å; F319-K325 VanDerWaalsContact C-CE 3.42Å; F319-K325 WeakPolarHBondContact O-CE 3.46Å; F319-K325 PolarHBondContact O-NZ 2.75Å; S321-K325 WeakPolarHBondContact O-CG 3.47Å; S321-K325 PolarHBondContact O-N 2.83Å; D322-K325 PolarHBondContact O-N 3.26Å; K325-F328 PolarHBondContact O-N 3.46Å; K325-R329 WeakPolarHBondContact O-CB 3.27Å; K325-R329 WeakPolarHBondContact O-CG 3.44Å; K325-R329 PolarHBondContact O-N 3.28Å |
| 326 | Q | 65.5 | Low | 63.4 | Low | 122 Ų | 122 | 69.1 Ų | 69.1 | 57% | 0.57 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -69 | -36.6 | -177.5 | -162.3 | -179.8 | 28.9 | 0 | 0 | 111.7 | D322 F324 K330 | D322-Q326 WeakPolarHBondContact O-CB 3.21Å; D322-Q326 PolarHBondContact O-N 3.46Å; F324-Q326 VanDerWaalsContact C-N 3.35Å; F324-Q326 PolarHBondContact O-N 3.1Å; Q326-K330 WeakPolarHBondContact O-CG 3.46Å; Q326-K330 PolarHBondContact O-N 2.98Å |
| 327 | S | 65.5 | Low | 62.1 | Low | 12 Ų | 12 | 73.9 Ų | 73.9 | 8% | 0.084 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -71.2 | -41.6 | 173.8 | -70.7 | 0 | 0 | 0 | 0 | 112.7 | Y79 N323 F324 K330 V331 | Y79-S327 WeakPolarHBondContact CB-OG 3.46Å; Y79-S327 PolarHBondContact O-OG 3.36Å; N323-S327 WeakPolarHBondContact O-CB 3.48Å; N323-S327 PolarHBondContact O-N 2.96Å; N323-S327 VanDerWaalsContact O-N 3.09Å; N323-S327 PolarHBondContact O-OG 3.45Å; F324-S327 PolarHBondContact O-N 2.94Å; S327-K330 WeakPolarHBondContact O-CB 3.33Å; S327-K330 PolarHBondContact O-N 3.17Å; S327-K330 VanDerWaalsContact O-N 3.13Å; S327-V331 PolarHBondContact O-N 3.11Å; S327-V331 VanDerWaalsContact O-N 3.13Å |
| 328 | F | 68 | Low | 60.8 | Low | 69 Ų | 69 | 83.9 Ų | 83.9 | 30% | 0.303 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 176.6 | -176.5 | -117.9 | 0 | 0 | 0 | 112.1 | L71 F324 K325 K330 V331 L332 | L71-F328 HydrophobicContact CD1-CD2 4.2Å; L71-F328 HydrophobicContact CD1-CE2 4.06Å; L71-F328 HydrophobicContact CD2-CD2 4.1Å; L71-F328 HydrophobicContact CD2-CE2 3.54Å; L71-F328 HydrophobicContact CD2-CZ 4.33Å; L71-F328 HydrophobicContact CG-CE2 4.32Å; F324-F328 HydrophobicContact CD1-CB 4.48Å; F324-F328 VanDerWaalsContact O-CB 3.25Å; F324-F328 WeakPolarHBondContact O-CB 3.27Å; F324-F328 PolarHBondContact O-N 2.89Å; K325-F328 PolarHBondContact O-N 3.46Å; F328-K330 VanDerWaalsContact C-N 3.29Å; F328-K330 PolarHBondContact O-N 3.24Å; F328-V331 WeakPolarHBondContact O-CB 3.34Å; F328-V331 PolarHBondContact O-N 3.02Å; F328-V331 VanDerWaalsContact O-N 3.13Å; F328-L332 HydrophobicContact CD1-CD1 3.99Å; F328-L332 HydrophobicContact CE1-CD1 3.49Å; F328-L332 VanDerWaalsContact CE1-CD1 3.49Å; F328-L332 HydrophobicContact CE1-CG 4.31Å; F328-L332 HydrophobicContact CE2-CD1 4.33Å; F328-L332 HydrophobicContact CE2-CG 4.32Å; F328-L332 HydrophobicContact CZ-CD1 3.69Å; F328-L332 HydrophobicContact CZ-CD2 4.34Å; F328-L332 HydrophobicContact CZ-CG 4.12Å; F328-L332 PolarHBondContact O-N 2.93Å |
| 329 | R | 69.1 | Low | 59.5 | Low | 177 Ų | 177 | 88.6 Ų | 88.6 | 67% | 0.668 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -57.1 | -41 | 170.5 | -76.2 | -178.8 | -174.1 | -150.8 | 0.4 | 112.1 | K325 V331 L332 C333 | K325-R329 WeakPolarHBondContact O-CB 3.27Å; K325-R329 WeakPolarHBondContact O-CG 3.44Å; K325-R329 PolarHBondContact O-N 3.28Å; R329-V331 VanDerWaalsContact C-N 3.34Å; R329-V331 PolarHBondContact O-N 3.4Å; R329-L332 PolarHBondContact O-N 3.3Å; R329-C333 WeakPolarHBondContact O-CB 3.29Å; R329-C333 PolarHBondContact O-N 3Å; R329-C333 PolarHBondContact O-SG 3.44Å |
| 330 | K | 65.8 | Low | 58.6 | Low | 107 Ų | 107 | 85.8 Ų | 85.8 | 47% | 0.465 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.8 | -36.7 | 176.4 | -71 | 171 | -177.2 | 179.1 | 0 | 112.6 | Y79 Q326 S327 F328 V334 | Y79-K330 HydrophobicContact CD1-CB 4.2Å; Y79-K330 HydrophobicContact CE1-CB 4.16Å; Q326-K330 WeakPolarHBondContact O-CG 3.46Å; Q326-K330 PolarHBondContact O-N 2.98Å; S327-K330 WeakPolarHBondContact O-CB 3.33Å; S327-K330 PolarHBondContact O-N 3.17Å; S327-K330 VanDerWaalsContact O-N 3.13Å; F328-K330 VanDerWaalsContact C-N 3.29Å; F328-K330 PolarHBondContact O-N 3.24Å; K330-V334 WeakPolarHBondContact O-CB 3.33Å; K330-V334 WeakPolarHBondContact O-CG2 3.33Å; K330-V334 PolarHBondContact O-N 3.49Å |
| 331 | V | 66.8 | Low | 57.7 | Low | 18 Ų | 18 | 88 Ų | 88 | 11% | 0.109 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -62.4 | -48.7 | 173.4 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | Y74 V75 Y79 S327 F328 R329 K335 | Y74-V331 HydrophobicContact CE1-CG1 4.4Å; Y74-V331 HydrophobicContact CE1-CG2 4.08Å; V75-V331 HydrophobicContact CG2-CG2 4.25Å; Y79-V331 HydrophobicContact CD2-CG2 3.68Å; Y79-V331 HydrophobicContact CE2-CG2 3.3Å; S327-V331 PolarHBondContact O-N 3.11Å; S327-V331 VanDerWaalsContact O-N 3.13Å; F328-V331 WeakPolarHBondContact O-CB 3.34Å; F328-V331 PolarHBondContact O-N 3.02Å; F328-V331 VanDerWaalsContact O-N 3.13Å; R329-V331 VanDerWaalsContact C-N 3.34Å; R329-V331 PolarHBondContact O-N 3.4Å; V331-K335 PolarHBondContact O-N 3.22Å |
| 332 | L | 69.1 | Low | 56.6 | Low | 91 Ų | 91 | 95.4 Ų | 95.4 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.3 | -45.3 | -178 | -67.7 | 176.7 | 0 | 0 | 0 | 112.6 | F328 R329 V334 K335 G336 | F328-L332 HydrophobicContact CD1-CD1 3.99Å; F328-L332 HydrophobicContact CE1-CD1 3.49Å; F328-L332 VanDerWaalsContact CE1-CD1 3.49Å; F328-L332 HydrophobicContact CE1-CG 4.31Å; F328-L332 HydrophobicContact CE2-CD1 4.33Å; F328-L332 HydrophobicContact CE2-CG 4.32Å; F328-L332 HydrophobicContact CZ-CD1 3.69Å; F328-L332 HydrophobicContact CZ-CD2 4.34Å; F328-L332 HydrophobicContact CZ-CG 4.12Å; F328-L332 PolarHBondContact O-N 2.93Å; R329-L332 PolarHBondContact O-N 3.3Å; L332-V334 VanDerWaalsContact C-N 3.32Å; L332-V334 PolarHBondContact O-N 3Å; L332-K335 PolarHBondContact O-N 3.46Å; L332-K335 VanDerWaalsContact O-N 3.14Å; L332-G336 PolarHBondContact O-N 3.31Å; L332-G336 VanDerWaalsContact O-N 3.16Å |
| 333 | C | 64.3 | Low | 55.2 | Low | 79 Ų | 79 | 94.7 Ų | 94.7 | 53% | 0.534 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.1 | -32.9 | 179.4 | -66.2 | 0 | 0 | 0 | 0 | 112.9 | R329 K335 G336 M337 | R329-C333 WeakPolarHBondContact O-CB 3.29Å; R329-C333 PolarHBondContact O-N 3Å; R329-C333 PolarHBondContact O-SG 3.44Å; C333-K335 VanDerWaalsContact C-N 3.32Å; C333-K335 PolarHBondContact O-N 3.35Å; C333-G336 PolarHBondContact O-N 3.36Å; C333-M337 PolarHBondContact O-N 3.02Å; C333-M337 VanDerWaalsContact O-N 3.15Å |
| 334 | V | 56.1 | Low | 54.3 | Low | 60 Ų | 60 | 96.4 Ų | 96.4 | 36% | 0.364 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.1 | -28.8 | 174.8 | 169.2 | 0 | 0 | 0 | 0 | 112.1 | K330 L332 M337 R338 | K330-V334 WeakPolarHBondContact O-CB 3.33Å; K330-V334 WeakPolarHBondContact O-CG2 3.33Å; K330-V334 PolarHBondContact O-N 3.49Å; L332-V334 VanDerWaalsContact C-N 3.32Å; L332-V334 PolarHBondContact O-N 3Å; V334-M337 HydrophobicContact CG2-CE 4.24Å; V334-R338 PolarHBondContact O-N 3.49Å |
| 335 | K | 49.8 | Very low | 53 | Low | 154 Ų | 154 | 103.4 Ų | 103.4 | 67% | 0.67 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.7 | -40.7 | 169.5 | -75 | -169 | 173.7 | -172.8 | 0 | 111.8 | V331 L332 C333 M337 R338 | V331-K335 PolarHBondContact O-N 3.22Å; L332-K335 PolarHBondContact O-N 3.46Å; L332-K335 VanDerWaalsContact O-N 3.14Å; C333-K335 VanDerWaalsContact C-N 3.32Å; C333-K335 PolarHBondContact O-N 3.35Å; K335-M337 PolarHBondContact O-N 3.3Å; K335-R338 PolarHBondContact O-N 3.45Å |
| 336 | G | 43.7 | Very low | 51.7 | Low | 52 Ų | 52 | 107.1 Ų | 107.1 | 54% | 0.536 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -58.8 | -43.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L332 C333 R338 | L332-G336 PolarHBondContact O-N 3.31Å; L332-G336 VanDerWaalsContact O-N 3.16Å; C333-G336 PolarHBondContact O-N 3.36Å; G336-R338 VanDerWaalsContact C-N 3.35Å; G336-R338 PolarHBondContact O-N 3.41Å |
| 337 | M | 44.6 | Very low | 50.2 | Low | 127 Ų | 127 | 105 Ų | 105 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.8 | -23.7 | 179.7 | -68.1 | -178 | -67.5 | 0 | 0 | 114.1 | C333 V334 K335 C339 | C333-M337 PolarHBondContact O-N 3.02Å; C333-M337 VanDerWaalsContact O-N 3.15Å; V334-M337 HydrophobicContact CG2-CE 4.24Å; K335-M337 PolarHBondContact O-N 3.3Å; M337-C339 VanDerWaalsContact C-N 3.32Å; M337-C339 PolarHBondContact O-N 3.15Å |
| 338 | R | 39.7 | Very low | 48.7 | Very low | 210 Ų | 210 | 110.6 Ų | 110.6 | 79% | 0.792 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -75.9 | -15.7 | 180 | -83.7 | -175 | 170.4 | -167.5 | -5.2 | 114.4 | V334 K335 G336 | V334-R338 PolarHBondContact O-N 3.49Å; K335-R338 PolarHBondContact O-N 3.45Å; G336-R338 VanDerWaalsContact C-N 3.35Å; G336-R338 PolarHBondContact O-N 3.41Å |
| 339 | C | 38.1 | Very low | 47.4 | Very low | 120 Ų | 120 | 113.4 Ų | 113.4 | 81% | 0.811 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -5.9 | 177 | -66.7 | 0 | 0 | 0 | 0 | 113.8 | M337 | M337-C339 VanDerWaalsContact C-N 3.32Å; M337-C339 PolarHBondContact O-N 3.15Å |
| 340 | A | 41.8 | Very low | 46.2 | Very low | 87 Ų | 87 | 109.3 Ų | 109.3 | 72% | 0.719 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -101.9 | 12.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 341 | A | 41.3 | Very low | 44.9 | Very low | 77 Ų | 77 | 108.2 Ų | 108.2 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -105.4 | 1.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 342 | N | 41.3 | Very low | 43.3 | Very low | 171 Ų | 171 | 113.4 Ų | 113.4 | 91% | 0.914 | 70% | 0.703 | S | S | * | * | trans | -121.4 | 86.2 | 174.8 | -78.8 | 2.3 | 0 | 0 | 0 | 109.6 | ||||
| 343 | G | 35.7 | Very low | 41.6 | Very low | 70 Ų | 70 | 120.9 Ų | 120.9 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | trans | -163.1 | 74 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 344 | V | 43.1 | Very low | 40.1 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | trans | -75.2 | 124.7 | 167.4 | 178.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 345 | D | 36 | Very low | 39.1 | Very low | 162 Ų | 162 | 129.6 Ų | 129.6 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | -134.8 | 112.9 | 170.9 | -156.9 | 20.5 | 0 | 0 | 0 | 107.2 | ||||
| 346 | D | 41.6 | Very low | 38.4 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -86.3 | 116.5 | -179.4 | -76.1 | -57.1 | 0 | 0 | 0 | 109.1 | ||||
| 347 | G | 32.9 | Very low | 37.7 | Very low | 76 Ų | 76 | 136.1 Ų | 136.1 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | -162 | 99.8 | -174 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 348 | D | 34.7 | Very low | 37.3 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | trans | 22.4 | 134.9 | 159.3 | -157.2 | 54.5 | 0 | 0 | 0 | 122.6 | S350 | D348-S350 PolarHBondContact O-N 2.87Å; D348-S350 WeakPolarHBondContact OD2-CB 3.33Å; D348-S350 PolarHBondContact OD2-OG 3.29Å | ||
| 349 | P | 40.3 | Very low | 36.9 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -78.4 | 6.4 | -174.2 | -14.3 | 31.8 | 0 | 0 | 0 | 118 | ||
| 350 | S | 44.4 | Very low | 36.5 | Very low | 91 Ų | 91 | 134.5 Ų | 134.5 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | trans | -112.9 | 48.8 | -152.5 | -39.8 | 0 | 0 | 0 | 0 | 116.5 | D348 | D348-S350 PolarHBondContact O-N 2.87Å; D348-S350 WeakPolarHBondContact OD2-CB 3.33Å; D348-S350 PolarHBondContact OD2-OG 3.29Å | ||
| 351 | A | 36.8 | Very low | 35.9 | Very low | 85 Ų | 85 | 137.2 Ų | 137.2 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | trans | -146.7 | 141.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R353 | A351-R353 PolarHBondContact O-N 3.13Š| ||
| 352 | P | 34.3 | Very low | 35.2 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -72.7 | 124.8 | 174.6 | -8.8 | 24.6 | 0 | 0 | 0 | 111.1 | T354 | P352-T354 PolarHBondContact O-N 2.76Š| ||
| 353 | R | 33.4 | Very low | 34.6 | Very low | 248 Ų | 248 | 139.3 Ų | 139.3 | 94% | 0.936 | 81% | 0.812 | S | S | * | * | trans | -76.1 | 112.5 | 172.1 | -88.8 | -175.7 | 173.3 | 167.9 | 0.3 | 111.3 | A351 E355 | A351-R353 PolarHBondContact O-N 3.13Å; R353-E355 PolarHBondContact O-N 3.38Å | ||
| 354 | T | 33.5 | Very low | 34.3 | Very low | 137 Ų | 137 | 143.3 Ų | 143.3 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | trans | -73.7 | 115.3 | 163 | -30.3 | 0 | 0 | 0 | 0 | 109.4 | P352 K356 | P352-T354 PolarHBondContact O-N 2.76Å; T354-K356 PolarHBondContact O-N 3.2Å | ||
| 355 | E | 35 | Very low | 33.5 | Very low | 184 Ų | 184 | 145.5 Ų | 145.5 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -65.6 | 126.7 | 172.2 | -73.2 | -171.6 | 129 | 0 | 0 | 111.4 | R353 | R353-E355 PolarHBondContact O-N 3.38Š| ||
| 356 | K | 34.1 | Very low | 33.1 | Very low | 201 Ų | 201 | 142.2 Ų | 142.2 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -171.3 | 79.7 | 153.6 | -110.7 | 167.3 | -169.6 | 177.5 | 0 | 113.1 | T354 | T354-K356 PolarHBondContact O-N 3.2Š| ||
| 357 | T | 29.6 | Very low | 32.9 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -143.9 | 104.3 | 151 | -45.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 358 | T | 36.3 | Very low | 32.9 | Very low | 142 Ų | 142 | 148.3 Ų | 148.3 | 87% | 0.871 | 82% | 0.815 | S | S | * | * | trans | -73.1 | 117.3 | 170.5 | 42.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 359 | A | 30.3 | Very low | 32.8 | Very low | 90 Ų | 90 | 149 Ų | 149 | 74% | 0.744 | 82% | 0.819 | S | S | * | * | trans | -166.8 | 58.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D361 | A359-D361 PolarHBondContact O-N 2.92Š| ||
| 360 | Q | 30.1 | Very low | 32.5 | Very low | 191 Ų | 191 | 152.3 Ų | 152.3 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | trans | 38.9 | 73.3 | 143.1 | -153.3 | 160.8 | 15.1 | 0 | 0 | 117.4 | ||||
| 361 | D | 29.7 | Very low | 31.8 | Very low | 144 Ų | 144 | 153.7 Ų | 153.7 | 77% | 0.77 | 83% | 0.828 | S | S | * | * | trans | 30.3 | 102.7 | 151.8 | -60 | -45.6 | 0 | 0 | 0 | 118.2 | A359 I363 | A359-D361 PolarHBondContact O-N 2.92Å; D361-I363 VanDerWaalsContact C-N 3.34Å; D361-I363 PolarHBondContact O-N 3.17Å | ||
| 362 | C | 26.8 | Very low | 31.4 | Very low | 131 Ų | 131 | 159.9 Ų | 159.9 | 89% | 0.885 | 83% | 0.834 | S | S | * | * | trans | -56.2 | 97.4 | 153.9 | -76.5 | 0 | 0 | 0 | 0 | 110 | L364 | C362-L364 PolarHBondContact O-N 3.29Å; C362-L364 VanDerWaalsContact O-N 3.15Å | ||
| 363 | I | 28.8 | Very low | 31.3 | Very low | 160 Ų | 160 | 162.5 Ų | 162.5 | 82% | 0.821 | 84% | 0.835 | S | S | * | * | trans | -51.7 | 121.7 | 178.4 | -65.6 | 174.3 | 0 | 0 | 0 | 110.1 | D361 | D361-I363 VanDerWaalsContact C-N 3.34Å; D361-I363 PolarHBondContact O-N 3.17Å | ||
| 364 | L | 27.8 | Very low | 31.3 | Very low | 154 Ų | 154 | 158 Ų | 158 | 81% | 0.806 | 83% | 0.83 | S | S | * | * | trans | -27.9 | 126.7 | -178.5 | -88.7 | 66.6 | 0 | 0 | 0 | 115.4 | C362 | C362-L364 PolarHBondContact O-N 3.29Å; C362-L364 VanDerWaalsContact O-N 3.15Å | ||
| 365 | L | 27.3 | Very low | 31.3 | Very low | 179 Ų | 179 | 156 Ų | 156 | 94% | 0.937 | 83% | 0.827 | S | S | * | * | trans | -117.4 | 91.6 | 147.8 | -89.9 | 167.5 | 0 | 0 | 0 | 108.8 | ||||
| 366 | S | 27 | Very low | 31.4 | Very low | 92 Ų | 92 | 157.1 Ų | 157.1 | 64% | 0.643 | 83% | 0.832 | S | S | * | * | trans | -105.9 | 125.9 | 158.4 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | R368 | S366-R368 PolarHBondContact O-N 3.42Š| ||
| 367 | P | 38 | Very low | 31.5 | Very low | 118 Ų | 118 | 153 Ų | 153 | 77% | 0.766 | 83% | 0.829 | S | S | * | * | trans | -80.7 | 102.6 | 174.3 | 31.8 | -29.7 | 0 | 0 | 0 | 108.9 | ||||
| 368 | R | 31.7 | Very low | 31.7 | Very low | 239 Ų | 239 | 151.8 Ų | 151.8 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 118 | 174.1 | -142.5 | 173.2 | -168.2 | 169.9 | 3 | 109.6 | S366 | S366-R368 PolarHBondContact O-N 3.42Š|
| 369 | N | 32.6 | Very low | 31.8 | Very low | 146 Ų | 146 | 157.9 Ų | 157.9 | 78% | 0.781 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 163.3 | 174.5 | -77.1 | -15.7 | 0 | 0 | 0 | 112 | ||
| 370 | E | 34 | Very low | 31.9 | Very low | 196 Ų | 196 | 161.3 Ų | 161.3 | 92% | 0.916 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 146 | 177.4 | -59.3 | -178.3 | 144.1 | 0 | 0 | 112.2 | ||
| 371 | V | 31.6 | Very low | 32 | Very low | 121 Ų | 121 | 159.7 Ų | 159.7 | 73% | 0.733 | 85% | 0.848 | S | S | * | * | trans | -117.2 | 114.2 | 171.7 | 175.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 372 | Y | 27.3 | Very low | 32.1 | Very low | 214 Ų | 214 | 160.6 Ų | 160.6 | 84% | 0.839 | 85% | 0.852 | S | S | * | * | trans | -137 | 114.5 | 154 | -104.2 | -84.4 | 0 | 0 | 0 | 107.5 | ||||
| 373 | H | 32.1 | Very low | 32.4 | Very low | 182 Ų | 182 | 162.3 Ų | 162.3 | 84% | 0.843 | 85% | 0.85 | S | S | * | * | trans | -130.6 | 107.1 | 165.2 | -101.4 | -67 | 0 | 0 | 0 | 106.7 | ||||
| 374 | D | 34 | Very low | 32.6 | Very low | 155 Ų | 155 | 162.4 Ų | 162.4 | 83% | 0.829 | 85% | 0.852 | S | S | * | * | trans | -78.7 | 121.7 | 158.6 | -84.3 | -44.8 | 0 | 0 | 0 | 108.4 | ||||
| 375 | A | 33.8 | Very low | 32.9 | Very low | 95 Ų | 95 | 163 Ų | 163 | 79% | 0.785 | 86% | 0.855 | S | S | * | * | trans | -168.1 | 110.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 376 | Q | 35.6 | Very low | 33.3 | Very low | 206 Ų | 206 | 161.9 Ų | 161.9 | 96% | 0.963 | 85% | 0.849 | S | S | * | * | trans | -121 | 138.1 | 155.6 | -116.3 | -178.7 | -13.1 | 0 | 0 | 109 | ||||
| 377 | S | 37.1 | Very low | 33.8 | Very low | 116 Ų | 116 | 167.2 Ų | 167.2 | 81% | 0.811 | 87% | 0.865 | S | S | * | * | trans | -90 | 157.5 | -161 | 51.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 378 | S | 34.7 | Very low | 33.5 | Very low | 116 Ų | 116 | 171.3 Ų | 171.3 | 81% | 0.811 | 87% | 0.873 | S | S | * | * | trans | -54.2 | 140.5 | 165.4 | -35.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 379 | Q | 37.4 | Very low | 33.6 | Very low | 270 Ų | 270 | 165.2 Ų | 165.2 | 100% | 1.262 | 87% | 0.87 | S | S | * | * | trans | -149.6 | 0 | 136.7 | -111.6 | -177.8 | 4 | 0 | 0 | 108.7 |
Retrieved 379 of 379 residues in 96.9 ms
(Link to these results)