| 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 | 34.3 | Very low | 29 | Very low | 243 Ų | 243 | 152.6 Ų | 152.6 | 100% | 1.197 | 84% | 0.842 | S | S | * | * | 0 | 133.8 | 0 | -83.5 | 173.2 | 164.1 | 0 | 0 | 106.7 | |||||
| 2 | D | 34.6 | Very low | 28.7 | Very low | 169 Ų | 169 | 149.8 Ų | 149.8 | 90% | 0.904 | 83% | 0.832 | S | S | * | * | trans | 74.8 | 67.6 | -165.9 | -58 | -8.2 | 0 | 0 | 0 | 116.3 | ||||
| 3 | Q | 26.7 | Very low | 28.8 | Very low | 187 Ų | 187 | 146.8 Ų | 146.8 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -69.1 | 132.4 | 147.1 | -71.5 | 174.8 | -24.4 | 0 | 0 | 109.3 | ||||
| 4 | M | 27.1 | Very low | 28.9 | Very low | 184 Ų | 184 | 146.1 Ų | 146.1 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | trans | 151.8 | 104.4 | 156.4 | -90.1 | 178.5 | -140.9 | 0 | 0 | 106.5 | ||||
| 5 | T | 32.8 | Very low | 29 | Very low | 127 Ų | 127 | 152.5 Ų | 152.5 | 78% | 0.779 | 83% | 0.827 | S | S | * | * | -166.1 | 117.9 | 53 | 29.9 | 0 | 0 | 0 | 0 | 108.7 | S7 | T5-S7 PolarHBondContact O-N 3.37Š| |||
| 6 | S | 25.8 | Very low | 29 | Very low | 128 Ų | 128 | 154.3 Ų | 154.3 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | trans | -71.8 | 105.9 | 153.4 | 51.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 7 | S | 29.2 | Very low | 28.9 | Very low | 90 Ų | 90 | 151.5 Ų | 151.5 | 63% | 0.629 | 81% | 0.813 | S | S | * | * | trans | -127.9 | 108.9 | 153.4 | 63.2 | 0 | 0 | 0 | 0 | 108.9 | T5 Y9 | T5-S7 PolarHBondContact O-N 3.37Å; S7-Y9 PolarHBondContact O-N 3.13Å; S7-Y9 VanDerWaalsContact O-N 3.09Å | ||
| 8 | S | 25.7 | Very low | 29.3 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -46.1 | 102.9 | 170.2 | 44.4 | 0 | 0 | 0 | 0 | 112.4 | S10 | S8-S10 VanDerWaalsContact C-N 3.26Å; S8-S10 PolarHBondContact O-N 2.91Å | ||
| 9 | Y | 26.6 | Very low | 29.6 | Very low | 210 Ų | 210 | 147.5 Ų | 147.5 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -78.6 | 84.9 | 147.6 | -87 | -83.3 | 0 | 0 | 0 | 107.4 | S7 V11 | S7-Y9 PolarHBondContact O-N 3.13Å; S7-Y9 VanDerWaalsContact O-N 3.09Å; Y9-V11 VanDerWaalsContact C-N 3.31Å; Y9-V11 PolarHBondContact O-N 3.5Å | ||
| 10 | S | 26.6 | Very low | 30.2 | Very low | 88 Ų | 88 | 144.9 Ų | 144.9 | 62% | 0.615 | 77% | 0.773 | S | S | * | * | trans | -67.9 | 96.8 | 163.1 | 53.9 | 0 | 0 | 0 | 0 | 108 | S8 T12 | S8-S10 VanDerWaalsContact C-N 3.26Å; S8-S10 PolarHBondContact O-N 2.91Å; S10-T12 PolarHBondContact O-N 2.97Å | ||
| 11 | V | 29.2 | Very low | 30.8 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | trans | -73.1 | 63.9 | 165.3 | -175.1 | 0 | 0 | 0 | 0 | 107.7 | Y9 | Y9-V11 VanDerWaalsContact C-N 3.31Å; Y9-V11 PolarHBondContact O-N 3.5Å | ||
| 12 | T | 26.3 | Very low | 31.1 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | trans | -141.2 | 67.5 | 175 | 56.3 | 0 | 0 | 0 | 0 | 108.4 | S10 | S10-T12 PolarHBondContact O-N 2.97Š| ||
| 13 | S | 29.4 | Very low | 31.8 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -141.4 | 116 | 148.2 | 63 | 0 | 0 | 0 | 0 | 107.5 | ||
| 14 | D | 29.7 | Very low | 33.2 | Very low | 138 Ų | 138 | 123.3 Ų | 123.3 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | trans | 7.9 | 117.6 | 169.3 | -61.6 | -40.8 | 0 | 0 | 0 | 117 | R16 | D14-R16 HydrophobicContact CB-CG 4.15Å; D14-R16 PolarHBondContact O-N 2.9Å | ||
| 15 | R | 30.6 | Very low | 34.8 | Very low | 241 Ų | 241 | 115.5 Ų | 115.5 | 91% | 0.909 | 64% | 0.641 | S | S | * | * | trans | -47.7 | 85.9 | 142.2 | -82.4 | 178.2 | 169.4 | 172.4 | -2.7 | 107.9 | C17 | R15-C17 PolarHBondContact O-N 3.41Š| ||
| 16 | R | 29.5 | Very low | 36 | Very low | 181 Ų | 181 | 115.1 Ų | 115.1 | 68% | 0.683 | 63% | 0.63 | S | S | * | * | trans | -72.1 | 80.5 | 162.9 | -62.3 | -170.2 | -173.6 | 175.4 | -1.2 | 105.7 | D14 F18 | D14-R16 HydrophobicContact CB-CG 4.15Å; D14-R16 PolarHBondContact O-N 2.9Å; R16-F18 HydrophobicContact CB-CD1 4.23Å; R16-F18 HydrophobicContact CB-CD2 3.3Å; R16-F18 HydrophobicContact CB-CE1 4.1Å; R16-F18 HydrophobicContact CB-CE2 3.15Å; R16-F18 HydrophobicContact CB-CG 3.89Å; R16-F18 HydrophobicContact CB-CZ 3.62Å; R16-F18 HydrophobicContact CG-CD2 4.47Å; R16-F18 HydrophobicContact CG-CE1 4.48Å; R16-F18 HydrophobicContact CG-CE2 3.91Å; R16-F18 HydrophobicContact CG-CZ 3.96Å; R16-F18 WeakPolarHBondContact O-CD2 3.41Å; R16-F18 PolarHBondContact O-N 3.44Å | ||
| 17 | C | 27.3 | Very low | 37.5 | Very low | 108 Ų | 108 | 117.7 Ų | 117.7 | 73% | 0.73 | 63% | 0.625 | S | S | * | * | trans | -61.8 | 85 | 156.4 | -73.9 | 0 | 0 | 0 | 0 | 105.6 | R15 V19 | R15-C17 PolarHBondContact O-N 3.41Å; C17-V19 PolarHBondContact O-N 2.94Å | ||
| 18 | F | 35.5 | Very low | 39.2 | Very low | 107 Ų | 107 | 114 Ų | 114 | 47% | 0.469 | 60% | 0.598 | S | S | . | * | trans | -78.5 | 107.3 | -176.9 | -79.8 | -75.1 | 0 | 0 | 0 | 109 | R16 E20 V205 | R16-F18 HydrophobicContact CB-CD1 4.23Å; R16-F18 HydrophobicContact CB-CD2 3.3Å; R16-F18 HydrophobicContact CB-CE1 4.1Å; R16-F18 HydrophobicContact CB-CE2 3.15Å; R16-F18 HydrophobicContact CB-CG 3.89Å; R16-F18 HydrophobicContact CB-CZ 3.62Å; R16-F18 HydrophobicContact CG-CD2 4.47Å; R16-F18 HydrophobicContact CG-CE1 4.48Å; R16-F18 HydrophobicContact CG-CE2 3.91Å; R16-F18 HydrophobicContact CG-CZ 3.96Å; R16-F18 WeakPolarHBondContact O-CD2 3.41Å; R16-F18 PolarHBondContact O-N 3.44Å; F18-E20 PolarHBondContact O-N 2.91Å; F18-V205 HydrophobicContact CB-CB 3.69Å; F18-V205 HydrophobicContact CB-CG1 3.29Å; F18-V205 HydrophobicContact CB-CG2 3.87Å; F18-V205 HydrophobicContact CD1-CB 4.49Å; F18-V205 HydrophobicContact CD1-CG1 3.56Å; F18-V205 HydrophobicContact CD1-CG2 4.32Å; F18-V205 HydrophobicContact CD2-CB 4.46Å; F18-V205 HydrophobicContact CD2-CG1 3.23Å; F18-V205 HydrophobicContact CE1-CG1 3.95Å; F18-V205 HydrophobicContact CE2-CG1 3.65Å; F18-V205 HydrophobicContact CG-CB 4.07Å; F18-V205 HydrophobicContact CG-CG1 3.13Å; F18-V205 HydrophobicContact CG-CG2 4.3Å; F18-V205 HydrophobicContact CZ-CG1 3.95Å | ||
| 19 | V | 35.9 | Very low | 41.1 | Very low | 120 Ų | 120 | 110.9 Ų | 110.9 | 73% | 0.727 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 124.9 | 171.7 | -177 | 0 | 0 | 0 | 0 | 107.5 | C17 P21 | C17-V19 PolarHBondContact O-N 2.94Å; V19-P21 WeakPolarHBondContact O-CD 3.46Å; V19-P21 VanDerWaalsContact O-N 3.12Å |
| 20 | E | 41.9 | Very low | 43.2 | Very low | 94 Ų | 94 | 103.6 Ų | 103.6 | 44% | 0.439 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -51.6 | 118.2 | 166.6 | -100.2 | 173.3 | -179.3 | 0 | 0 | 107.4 | F18 P22 Y204 | F18-E20 PolarHBondContact O-N 2.91Å; E20-P22 WeakPolarHBondContact O-CD 3.44Å; E20-P22 VanDerWaalsContact O-N 3.16Å; E20-Y204 HydrophobicContact CG-CD1 4.33Å; E20-Y204 HydrophobicContact CG-CE1 4.22Å; E20-Y204 WeakPolarHBondContact OE1-CE1 3.43Å |
| 21 | P | 41.7 | Very low | 45.7 | Very low | 62 Ų | 62 | 107.5 Ų | 107.5 | 40% | 0.403 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 126.6 | 178.2 | 21.9 | -29.5 | 0 | 0 | 0 | 107.5 | V19 N23 S24 | V19-P21 WeakPolarHBondContact O-CD 3.46Å; V19-P21 VanDerWaalsContact O-N 3.12Å; P21-N23 PolarHBondContact O-N 3Å; P21-N23 VanDerWaalsContact O-N 3.17Å; P21-S24 PolarHBondContact O-N 2.94Å |
| 22 | P | 41.9 | Very low | 48.3 | Very low | 116 Ų | 116 | 105 Ų | 105 | 75% | 0.753 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 129.3 | 172.9 | 21.6 | -29.8 | 0 | 0 | 0 | 107.3 | E20 | E20-P22 WeakPolarHBondContact O-CD 3.44Å; E20-P22 VanDerWaalsContact O-N 3.16Å |
| 23 | N | 49.3 | Very low | 51.1 | Low | 96 Ų | 96 | 99.5 Ų | 99.5 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 33.4 | 179.8 | -52.4 | -16.9 | 0 | 0 | 0 | 117.8 | P21 F25 E26 | P21-N23 PolarHBondContact O-N 3Å; P21-N23 VanDerWaalsContact O-N 3.17Å; N23-F25 PolarHBondContact O-N 2.85Å; N23-E26 HydrophobicContact CB-CB 3.88Å; N23-E26 VanDerWaalsContact CB-CD 3.48Å; N23-E26 HydrophobicContact CB-CG 3.68Å; N23-E26 WeakPolarHBondContact CB-OE2 3.36Å; N23-E26 VanDerWaalsContact CG-OE2 3.3Å; N23-E26 PolarHBondContact ND2-OE1 3.42Å; N23-E26 VanDerWaalsContact ND2-OE1 3.16Å; N23-E26 PolarHBondContact ND2-OE2 3.35Å; N23-E26 PolarHBondContact O-N 3.47Å |
| 24 | S | 54.7 | Low | 53.9 | Low | 18 Ų | 18 | 97.2 Ų | 97.2 | 13% | 0.126 | 49% | 0.485 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -27.1 | 169.8 | 54.1 | 0 | 0 | 0 | 0 | 114.8 | P21 N203 Y204 | P21-S24 PolarHBondContact O-N 2.94Å; S24-N203 PolarHBondContact O-ND2 2.97Å; S24-Y204 PolarHBondContact OG-OH 3.42Å |
| 25 | F | 61.2 | Low | 56.8 | Low | 20 Ų | 20 | 95.7 Ų | 95.7 | 9% | 0.088 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -7.3 | 176.5 | -65 | -65.5 | 0 | 0 | 0 | 115.1 | N23 K27 L28 K90 E92 F95 Y204 L277 | N23-F25 PolarHBondContact O-N 2.85Å; F25-K27 VanDerWaalsContact C-N 3.27Å; F25-K27 PolarHBondContact O-N 2.91Å; F25-L28 HydrophobicContact CB-CD1 3.99Å; F25-L28 HydrophobicContact CD1-CD1 3.71Å; F25-L28 HydrophobicContact CG-CD1 4.31Å; F25-L28 WeakPolarHBondContact O-CB 3.49Å; F25-L28 PolarHBondContact O-N 3.2Å; F25-K90 HydrophobicContact CB-CB 3.84Å; F25-K90 HydrophobicContact CB-CG 4.44Å; F25-K90 WeakPolarHBondContact CD2-O 3.3Å; F25-K90 WeakPolarHBondContact O-CD 3.42Å; F25-E92 HydrophobicContact CE2-CB 4.18Å; F25-E92 HydrophobicContact CZ-CB 4.4Å; F25-E92 HydrophobicContact CZ-CG 4.39Å; F25-F95 HydrophobicContact CE1-CB 4.01Å; F25-F95 AromaticContact CE1-CD2 3.69Å; F25-F95 HydrophobicContact CE1-CD2 3.69Å; F25-F95 HydrophobicContact CE1-CE2 4.44Å; F25-F95 AromaticContact CE1-CG 3.99Å; F25-F95 HydrophobicContact CE1-CG 3.99Å; F25-F95 HydrophobicContact CZ-CB 4.09Å; F25-F95 HydrophobicContact CZ-CD2 4.47Å; F25-F95 HydrophobicContact CZ-CG 4.34Å; F25-Y204 HydrophobicContact CE1-CE2 4.3Å; F25-Y204 WeakPolarHBondContact CE2-OH 3.47Å; F25-Y204 HydrophobicContact CZ-CE2 4.09Å; F25-Y204 AromaticContact CZ-CZ 3.93Å; F25-Y204 WeakPolarHBondContact CZ-OH 3.37Å; F25-L277 HydrophobicContact CE1-CD2 4.46Å; F25-L277 HydrophobicContact CZ-CD2 4.27Å |
| 26 | E | 57.4 | Low | 59.7 | Low | 118 Ų | 118 | 84.9 Ų | 84.9 | 55% | 0.551 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -34.8 | -178.3 | -92.7 | -177 | 165.8 | 0 | 0 | 112.5 | N23 L28 K90 | N23-E26 HydrophobicContact CB-CB 3.88Å; N23-E26 VanDerWaalsContact CB-CD 3.48Å; N23-E26 HydrophobicContact CB-CG 3.68Å; N23-E26 WeakPolarHBondContact CB-OE2 3.36Å; N23-E26 VanDerWaalsContact CG-OE2 3.3Å; N23-E26 PolarHBondContact ND2-OE1 3.42Å; N23-E26 VanDerWaalsContact ND2-OE1 3.16Å; N23-E26 PolarHBondContact ND2-OE2 3.35Å; N23-E26 PolarHBondContact O-N 3.47Å; E26-L28 PolarHBondContact O-N 2.78Å; E26-K90 PolarHBondContact O-NZ 2.83Å; E26-K90 VanDerWaalsContact O-NZ 3.08Å |
| 27 | K | 57.5 | Low | 62.5 | Low | 183 Ų | 183 | 76.3 Ų | 76.3 | 80% | 0.796 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 14.2 | -179.2 | -64.6 | -174.6 | 179.7 | 179.2 | 0 | 114.8 | F25 P29 | F25-K27 VanDerWaalsContact C-N 3.27Å; F25-K27 PolarHBondContact O-N 2.91Å; K27-P29 WeakPolarHBondContact O-CD 3.3Å |
| 28 | L | 64.6 | Low | 65.6 | Low | 12 Ų | 12 | 73.6 Ų | 73.6 | 6% | 0.063 | 39% | 0.386 | C | S | . | . | trans | -60.6 | 123.9 | 174 | -106.7 | 143.3 | 0 | 0 | 0 | 110.1 | F25 E26 S30 M33 L86 I199 | F25-L28 HydrophobicContact CB-CD1 3.99Å; F25-L28 HydrophobicContact CD1-CD1 3.71Å; F25-L28 HydrophobicContact CG-CD1 4.31Å; F25-L28 WeakPolarHBondContact O-CB 3.49Å; F25-L28 PolarHBondContact O-N 3.2Å; E26-L28 PolarHBondContact O-N 2.78Å; L28-S30 PolarHBondContact O-N 3.01Å; L28-M33 HydrophobicContact CD2-CE 3.9Å; L28-M33 HydrophobicContact CD2-CG 3.97Å; L28-L86 HydrophobicContact CD1-CG 4.48Å; L28-I199 HydrophobicContact CD2-CD1 3.54Å; L28-I199 HydrophobicContact CG-CD1 4.04Å | ||
| 29 | P | 65.6 | Low | 68.3 | Low | 48 Ų | 48 | 70.5 Ų | 70.5 | 31% | 0.312 | 38% | 0.377 | S | S | . | . | trans | -68.2 | 92.4 | -179.2 | 25.7 | -32.7 | 0 | 0 | 0 | 110.6 | K27 K31 Q32 M33 | K27-P29 WeakPolarHBondContact O-CD 3.3Å; P29-K31 PolarHBondContact O-N 3.34Å; P29-Q32 PolarHBondContact O-N 3.21Å; P29-M33 PolarHBondContact O-N 2.65Å | ||
| 30 | S | 70.6 | Confident | 71 | Confident | 56 Ų | 56 | 64.8 Ų | 64.8 | 39% | 0.392 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | -165.3 | 67.1 | 0 | 0 | 0 | 0 | 113.8 | L28 Q32 L34 R87 | L28-S30 PolarHBondContact O-N 3.01Å; S30-Q32 PolarHBondContact O-N 3.29Å; S30-L34 PolarHBondContact O-N 3.49Å; S30-L34 VanDerWaalsContact O-N 3.1Å; S30-R87 WeakPolarHBondContact O-CD 3.5Å; S30-R87 PolarHBondContact O-NE 3.39Å |
| 31 | K | 81 | Confident | 73.2 | Confident | 170 Ų | 170 | 61.5 Ų | 61.5 | 74% | 0.739 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.9 | -38.9 | 178.9 | -71.2 | -173.1 | 178.4 | -177.6 | 0 | 112.2 | P29 L34 I35 | P29-K31 PolarHBondContact O-N 3.34Å; K31-L34 WeakPolarHBondContact O-CB 3.39Å; K31-L34 PolarHBondContact O-N 3.24Å; K31-I35 WeakPolarHBondContact O-CG1 3.45Å; K31-I35 PolarHBondContact O-N 3.01Å; K31-I35 VanDerWaalsContact O-N 3.08Å |
| 32 | Q | 83.8 | Confident | 75.5 | Confident | 89 Ų | 89 | 62.3 Ų | 62.3 | 42% | 0.416 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -74.7 | -38.5 | -176.6 | -68.6 | 170.4 | -26.7 | 0 | 0 | 111.3 | P29 S30 L34 I35 L36 R195 | P29-Q32 PolarHBondContact O-N 3.21Å; S30-Q32 PolarHBondContact O-N 3.29Å; Q32-L34 VanDerWaalsContact C-N 3.32Å; Q32-I35 PolarHBondContact O-N 3.5Å; Q32-L36 WeakPolarHBondContact O-CB 3.4Å; Q32-L36 PolarHBondContact O-N 3.38Å; Q32-R195 VanDerWaalsContact CB-NH1 3.33Å |
| 33 | M | 84.3 | Confident | 77.8 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.7 | -36.4 | 172.7 | -68.4 | -61.5 | 174.5 | 0 | 0 | 112.1 | L28 P29 G37 C83 R87 L192 R195 L196 I199 | L28-M33 HydrophobicContact CD2-CE 3.9Å; L28-M33 HydrophobicContact CD2-CG 3.97Å; P29-M33 PolarHBondContact O-N 2.65Å; M33-G37 PolarHBondContact O-N 2.94Å; M33-C83 PolarHBondContact O-SG 2.86Å; M33-R87 HydrophobicContact CB-CB 4.27Å; M33-L192 HydrophobicContact SD-CD1 4.16Å; M33-R195 HydrophobicContact CE-CB 3.94Å; M33-L196 HydrophobicContact CE-CD2 4.41Å; M33-I199 HydrophobicContact CE-CD1 3.77Å |
| 34 | L | 87.7 | Confident | 79.4 | Confident | 64 Ų | 64 | 52.7 Ų | 52.7 | 34% | 0.335 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60 | -54 | 172.6 | 176.7 | 61.1 | 0 | 0 | 0 | 111.6 | S30 K31 Q32 L36 G37 S38 L84 R87 | S30-L34 PolarHBondContact O-N 3.49Å; S30-L34 VanDerWaalsContact O-N 3.1Å; K31-L34 WeakPolarHBondContact O-CB 3.39Å; K31-L34 PolarHBondContact O-N 3.24Å; Q32-L34 VanDerWaalsContact C-N 3.32Å; L34-L36 VanDerWaalsContact C-N 3.33Å; L34-L36 PolarHBondContact O-N 2.89Å; L34-G37 PolarHBondContact O-N 3.23Å; L34-S38 WeakPolarHBondContact O-CB 3.49Å; L34-S38 PolarHBondContact O-N 3.12Å; L34-S38 PolarHBondContact O-OG 2.77Å; L34-S38 VanDerWaalsContact O-OG 3.09Å; L34-L84 HydrophobicContact CD1-CD2 3.62Å; L34-R87 VanDerWaalsContact CD1-NH1 3.29Å |
| 35 | I | 91 | Very high | 80.7 | Confident | 106 Ų | 106 | 55.9 Ų | 55.9 | 54% | 0.544 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59 | -48.2 | -178.8 | -66.8 | 165.6 | 0 | 0 | 0 | 110 | K31 Q32 G37 S38 C39 | K31-I35 WeakPolarHBondContact O-CG1 3.45Å; K31-I35 PolarHBondContact O-N 3.01Å; K31-I35 VanDerWaalsContact O-N 3.08Å; Q32-I35 PolarHBondContact O-N 3.5Å; I35-G37 PolarHBondContact O-N 2.94Å; I35-S38 PolarHBondContact O-N 3.23Å; I35-C39 WeakPolarHBondContact O-CB 3.24Å; I35-C39 PolarHBondContact O-N 3.4Å; I35-C39 PolarHBondContact O-SG 3.5Å |
| 36 | L | 91.1 | Very high | 81.9 | Confident | 14 Ų | 14 | 58.6 Ų | 58.6 | 7% | 0.073 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.2 | -43.7 | -177.5 | -149.2 | 90.7 | 0 | 0 | 0 | 112.1 | Q32 L34 C39 L40 F188 I191 L192 | Q32-L36 WeakPolarHBondContact O-CB 3.4Å; Q32-L36 PolarHBondContact O-N 3.38Å; L34-L36 VanDerWaalsContact C-N 3.33Å; L34-L36 PolarHBondContact O-N 2.89Å; L36-C39 PolarHBondContact O-N 2.83Å; L36-L40 WeakPolarHBondContact O-CG 3.48Å; L36-L40 PolarHBondContact O-N 3.26Å; L36-F188 HydrophobicContact CD1-CD1 4.41Å; L36-I191 HydrophobicContact CD1-CB 4.13Å; L36-I191 HydrophobicContact CD1-CG2 3.62Å; L36-L192 HydrophobicContact CD2-CB 3.42Å; L36-L192 VanDerWaalsContact CD2-CB 3.42Å; L36-L192 HydrophobicContact CD2-CD1 3.69Å; L36-L192 HydrophobicContact CD2-CD2 4.39Å; L36-L192 HydrophobicContact CD2-CG 3.99Å |
| 37 | G | 89 | Confident | 83.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M33 L34 I35 L40 C41 G80 | M33-G37 PolarHBondContact O-N 2.94Å; L34-G37 PolarHBondContact O-N 3.23Å; I35-G37 PolarHBondContact O-N 2.94Å; G37-L40 PolarHBondContact O-N 2.93Å; G37-C41 PolarHBondContact O-N 3.45Å; G37-C41 PolarHBondContact O-SG 2.93Å; G37-C41 VanDerWaalsContact O-SG 3.39Å; G37-G80 WeakPolarHBondContact O-CA 3.37Å |
| 38 | S | 91.5 | Very high | 84 | Confident | 51 Ų | 51 | 47.5 Ų | 47.5 | 36% | 0.357 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 175.5 | -62.9 | 0 | 0 | 0 | 0 | 112.2 | L34 I35 L40 C41 S42 | L34-S38 WeakPolarHBondContact O-CB 3.49Å; L34-S38 PolarHBondContact O-N 3.12Å; L34-S38 PolarHBondContact O-OG 2.77Å; L34-S38 VanDerWaalsContact O-OG 3.09Å; I35-S38 PolarHBondContact O-N 3.23Å; S38-L40 VanDerWaalsContact C-N 3.35Å; S38-L40 PolarHBondContact O-N 2.87Å; S38-C41 PolarHBondContact O-N 3.3Å; S38-S42 WeakPolarHBondContact O-CB 3.42Å; S38-S42 PolarHBondContact O-N 2.87Å; S38-S42 PolarHBondContact O-OG 3.38Å; S38-S42 VanDerWaalsContact O-OG 3.08Å |
| 39 | C | 93.9 | Very high | 84.6 | Confident | 42 Ų | 42 | 49.4 Ų | 49.4 | 28% | 0.284 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 177.2 | -72.4 | 0 | 0 | 0 | 0 | 112.1 | I35 L36 S42 L43 F188 | I35-C39 WeakPolarHBondContact O-CB 3.24Å; I35-C39 PolarHBondContact O-N 3.4Å; I35-C39 PolarHBondContact O-SG 3.5Å; L36-C39 PolarHBondContact O-N 2.83Å; C39-S42 PolarHBondContact O-N 2.72Å; C39-L43 WeakPolarHBondContact O-CB 3.49Å; C39-L43 PolarHBondContact O-N 2.91Å; C39-F188 HydrophobicContact CB-CD2 4.42Å; C39-F188 HydrophobicContact CB-CE1 4.32Å; C39-F188 HydrophobicContact CB-CE2 4.17Å; C39-F188 HydrophobicContact CB-CZ 4.13Å |
| 40 | L | 90.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 177 | -75.9 | 167.9 | 0 | 0 | 0 | 112 | L36 G37 S38 L43 G44 L76 F188 L192 | L36-L40 WeakPolarHBondContact O-CG 3.48Å; L36-L40 PolarHBondContact O-N 3.26Å; G37-L40 PolarHBondContact O-N 2.93Å; S38-L40 VanDerWaalsContact C-N 3.35Å; S38-L40 PolarHBondContact O-N 2.87Å; L40-L43 PolarHBondContact O-N 3.21Å; L40-G44 PolarHBondContact O-N 3.44Å; L40-L76 HydrophobicContact CD2-CD2 4.03Å; L40-F188 HydrophobicContact CD2-CB 3.77Å; L40-F188 HydrophobicContact CG-CB 4.21Å; L40-L192 HydrophobicContact CD1-CD2 3.89Å |
| 41 | C | 87.7 | Confident | 85.4 | Confident | 26 Ų | 26 | 45.3 Ų | 45.3 | 18% | 0.176 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63 | -46.1 | 174.4 | -68.8 | 0 | 0 | 0 | 0 | 111.8 | G37 S38 L43 G44 V45 F77 | G37-C41 PolarHBondContact O-N 3.45Å; G37-C41 PolarHBondContact O-SG 2.93Å; G37-C41 VanDerWaalsContact O-SG 3.39Å; S38-C41 PolarHBondContact O-N 3.3Å; C41-L43 VanDerWaalsContact C-N 3.25Å; C41-L43 PolarHBondContact O-N 2.94Å; C41-G44 PolarHBondContact O-N 2.92Å; C41-G44 VanDerWaalsContact O-N 3.12Å; C41-V45 PolarHBondContact O-N 3.39Å; C41-V45 VanDerWaalsContact O-N 3.08Å; C41-F77 HydrophobicContact CB-CD1 4.31Å; C41-F77 WeakPolarHBondContact O-CE1 3.05Å |
| 42 | S | 90.7 | Very high | 84.8 | Confident | 79 Ų | 79 | 38.3 Ų | 38.3 | 55% | 0.552 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -60.8 | -36.2 | 176.7 | -62.4 | 0 | 0 | 0 | 0 | 112.1 | S38 C39 V45 M46 | S38-S42 WeakPolarHBondContact O-CB 3.42Å; S38-S42 PolarHBondContact O-N 2.87Å; S38-S42 PolarHBondContact O-OG 3.38Å; S38-S42 VanDerWaalsContact O-OG 3.08Å; C39-S42 PolarHBondContact O-N 2.72Å; S42-V45 PolarHBondContact O-N 3.31Å; S42-M46 PolarHBondContact O-N 3.08Å |
| 43 | L | 89.9 | Confident | 84.1 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.3 | -39 | 175.6 | -160.6 | 78.8 | 0 | 0 | 0 | 111.9 | C39 L40 C41 V45 M46 W47 L76 V181 L184 G185 | C39-L43 WeakPolarHBondContact O-CB 3.49Å; C39-L43 PolarHBondContact O-N 2.91Å; L40-L43 PolarHBondContact O-N 3.21Å; C41-L43 VanDerWaalsContact C-N 3.25Å; C41-L43 PolarHBondContact O-N 2.94Å; L43-V45 VanDerWaalsContact C-N 3.3Å; L43-V45 PolarHBondContact O-N 3.18Å; L43-M46 HydrophobicContact CD1-CE 3.83Å; L43-M46 PolarHBondContact O-N 2.79Å; L43-W47 WeakPolarHBondContact O-CB 3.31Å; L43-W47 PolarHBondContact O-N 3.33Å; L43-L76 HydrophobicContact CD2-CD1 4.22Å; L43-L76 HydrophobicContact CD2-CD2 3.81Å; L43-L76 HydrophobicContact CG-CD1 4.46Å; L43-V181 HydrophobicContact CD1-CG1 4.47Å; L43-V181 HydrophobicContact CD2-CG1 4.48Å; L43-V181 WeakPolarHBondContact CD2-O 3.49Å; L43-V181 HydrophobicContact CG-CG1 4.13Å; L43-L184 HydrophobicContact CD1-CB 3.66Å; L43-L184 HydrophobicContact CD1-CD1 3.87Å; L43-L184 HydrophobicContact CD1-CG 4.44Å; L43-L184 HydrophobicContact CD2-CB 4.22Å; L43-G185 VanDerWaalsContact CD2-N 3.32Å |
| 44 | G | 83.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.8 | -38.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L40 C41 L48 | L40-G44 PolarHBondContact O-N 3.44Å; C41-G44 PolarHBondContact O-N 2.92Å; C41-G44 VanDerWaalsContact O-N 3.12Å; G44-L48 PolarHBondContact O-N 3.4Å; G44-L48 VanDerWaalsContact O-N 3.16Å |
| 45 | V | 82.4 | Confident | 82 | Confident | 85 Ų | 85 | 35.8 Ų | 35.8 | 52% | 0.515 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68.2 | -42.7 | 173.8 | 179 | 0 | 0 | 0 | 0 | 111.5 | C41 S42 L43 W47 L48 A49 F77 | C41-V45 PolarHBondContact O-N 3.39Å; C41-V45 VanDerWaalsContact O-N 3.08Å; S42-V45 PolarHBondContact O-N 3.31Å; L43-V45 VanDerWaalsContact C-N 3.3Å; L43-V45 PolarHBondContact O-N 3.18Å; V45-W47 VanDerWaalsContact C-N 3.34Å; V45-W47 PolarHBondContact O-N 3.19Å; V45-L48 WeakPolarHBondContact O-CB 3.49Å; V45-L48 PolarHBondContact O-N 3.41Å; V45-L48 VanDerWaalsContact O-N 3.14Å; V45-A49 PolarHBondContact O-N 3.4Å; V45-A49 VanDerWaalsContact O-N 3.09Å; V45-F77 HydrophobicContact CG2-CE1 3.87Å; V45-F77 HydrophobicContact CG2-CZ 3.84Å |
| 46 | M | 85.1 | Confident | 80.5 | Confident | 77 Ų | 77 | 32.3 Ų | 32.3 | 38% | 0.379 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.6 | -42.3 | 177.9 | -169 | 169.8 | 86.3 | 0 | 0 | 111.6 | S42 L43 L48 A49 V50 V181 L184 | S42-M46 PolarHBondContact O-N 3.08Å; L43-M46 HydrophobicContact CD1-CE 3.83Å; L43-M46 PolarHBondContact O-N 2.79Å; M46-L48 VanDerWaalsContact C-N 3.29Å; M46-L48 PolarHBondContact O-N 3.27Å; M46-A49 PolarHBondContact O-N 2.84Å; M46-V50 WeakPolarHBondContact O-CG2 3.26Å; M46-V50 PolarHBondContact O-N 2.97Å; M46-V181 HydrophobicContact CE-CB 4.34Å; M46-V181 HydrophobicContact CE-CG2 3.41Å; M46-V181 VanDerWaalsContact CE-CG2 3.41Å; M46-V181 HydrophobicContact CG-CG2 4.33Å; M46-L184 HydrophobicContact CE-CD1 4.08Å |
| 47 | W | 85.3 | Confident | 79.1 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.8 | -45.9 | 171.9 | 178.2 | 90.6 | 0 | 0 | 0 | 111.7 | L43 V45 A49 V50 T51 A69 L72 P73 M178 V181 Y617 | L43-W47 WeakPolarHBondContact O-CB 3.31Å; L43-W47 PolarHBondContact O-N 3.33Å; V45-W47 VanDerWaalsContact C-N 3.34Å; V45-W47 PolarHBondContact O-N 3.19Å; W47-A49 VanDerWaalsContact C-N 3.33Å; W47-A49 PolarHBondContact O-N 2.9Å; W47-V50 PolarHBondContact O-N 3.14Å; W47-T51 VanDerWaalsContact CE2-OG1 3.23Å; W47-T51 HydrophobicContact CH2-CG2 3.88Å; W47-T51 HydrophobicContact CZ2-CG2 4Å; W47-T51 VanDerWaalsContact CZ2-OG1 3.29Å; W47-T51 WeakPolarHBondContact CZ2-OG1 3.23Å; W47-T51 HydrophobicContact CZ3-CG2 4.47Å; W47-T51 WeakPolarHBondContact O-CB 3.35Å; W47-T51 PolarHBondContact O-N 3.45Å; W47-T51 PolarHBondContact O-OG1 2.86Å; W47-A69 VanDerWaalsContact CZ2-C 3.48Å; W47-A69 HydrophobicContact CZ2-CB 3.56Å; W47-A69 WeakPolarHBondContact CZ2-O 3.07Å; W47-L72 VanDerWaalsContact CD1-CD2 3.49Å; W47-L72 HydrophobicContact CG-CD2 4.48Å; W47-P73 HydrophobicContact CD2-CB 4.24Å; W47-P73 HydrophobicContact CD2-CG 4.12Å; W47-P73 HydrophobicContact CE3-CB 3.6Å; W47-P73 HydrophobicContact CE3-CG 3.55Å; W47-P73 HydrophobicContact CH2-CG 3.61Å; W47-P73 HydrophobicContact CZ2-CG 4.14Å; W47-P73 HydrophobicContact CZ3-CB 3.81Å; W47-P73 HydrophobicContact CZ3-CG 3.3Å; W47-M178 HydrophobicContact CG-CE 4.47Å; W47-M178 HydrophobicContact CG-SD 4.32Å; W47-M178 HydrophobicContact CZ2-CE 4.21Å; W47-M178 PolarHBondContact NE1-SD 2.86Å; W47-V181 HydrophobicContact CB-CG1 3.91Å; W47-V181 HydrophobicContact CG-CG1 4.43Å; W47-Y617 WeakPolarHBondContact CH2-OH 3.17Å; W47-Y617 WeakPolarHBondContact CZ3-OH 3.29Å |
| 48 | L | 75 | Confident | 77.5 | Confident | 67 Ų | 67 | 34.6 Ų | 34.6 | 35% | 0.351 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.5 | -45.5 | -179.1 | -172.8 | 71 | 0 | 0 | 0 | 110.6 | G44 V45 M46 T51 I52 | G44-L48 PolarHBondContact O-N 3.4Å; G44-L48 VanDerWaalsContact O-N 3.16Å; V45-L48 WeakPolarHBondContact O-CB 3.49Å; V45-L48 PolarHBondContact O-N 3.41Å; V45-L48 VanDerWaalsContact O-N 3.14Å; M46-L48 VanDerWaalsContact C-N 3.29Å; M46-L48 PolarHBondContact O-N 3.27Å; L48-T51 PolarHBondContact O-N 2.97Å; L48-I52 HydrophobicContact CG-CD1 4.07Å; L48-I52 WeakPolarHBondContact O-CD1 3.36Å; L48-I52 VanDerWaalsContact O-CG1 3.23Å; L48-I52 WeakPolarHBondContact O-CG1 3.43Å; L48-I52 PolarHBondContact O-N 3.26Å |
| 49 | A | 76.4 | Confident | 75.5 | Confident | 53 Ų | 53 | 37 Ų | 37 | 44% | 0.438 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V45 M46 W47 T51 S53 | V45-A49 PolarHBondContact O-N 3.4Å; V45-A49 VanDerWaalsContact O-N 3.09Å; M46-A49 PolarHBondContact O-N 2.84Å; W47-A49 VanDerWaalsContact C-N 3.33Å; W47-A49 PolarHBondContact O-N 2.9Å; A49-T51 VanDerWaalsContact C-N 3.35Å; A49-S53 PolarHBondContact O-N 2.84Å; A49-S53 PolarHBondContact O-OG 3.3Å |
| 50 | V | 80.3 | Confident | 73.1 | Confident | 18 Ų | 18 | 43.6 Ų | 43.6 | 11% | 0.109 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 176.7 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | M46 W47 S53 L54 A177 M178 V181 | M46-V50 WeakPolarHBondContact O-CG2 3.26Å; M46-V50 PolarHBondContact O-N 2.97Å; W47-V50 PolarHBondContact O-N 3.14Å; V50-S53 WeakPolarHBondContact O-CB 3.49Å; V50-S53 PolarHBondContact O-N 3.18Å; V50-L54 HydrophobicContact CG1-CD1 4.16Å; V50-L54 WeakPolarHBondContact O-CB 3.35Å; V50-L54 PolarHBondContact O-N 3.47Å; V50-A177 HydrophobicContact CG1-CB 4.1Å; V50-A177 HydrophobicContact CG2-CB 4.06Å; V50-M178 HydrophobicContact CG1-CB 4.28Å; V50-M178 HydrophobicContact CG1-SD 4.32Å; V50-V181 HydrophobicContact CG2-CG2 4.45Å |
| 51 | T | 73.2 | Confident | 70.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.5 | -42 | -177.7 | -51.9 | 0 | 0 | 0 | 0 | 112.2 | W47 L48 A49 S53 L54 Y55 V66 M178 Y617 L621 | W47-T51 VanDerWaalsContact CE2-OG1 3.23Å; W47-T51 HydrophobicContact CH2-CG2 3.88Å; W47-T51 HydrophobicContact CZ2-CG2 4Å; W47-T51 VanDerWaalsContact CZ2-OG1 3.29Å; W47-T51 WeakPolarHBondContact CZ2-OG1 3.23Å; W47-T51 HydrophobicContact CZ3-CG2 4.47Å; W47-T51 WeakPolarHBondContact O-CB 3.35Å; W47-T51 PolarHBondContact O-N 3.45Å; W47-T51 PolarHBondContact O-OG1 2.86Å; L48-T51 PolarHBondContact O-N 2.97Å; A49-T51 VanDerWaalsContact C-N 3.35Å; T51-S53 VanDerWaalsContact C-N 3.27Å; T51-S53 PolarHBondContact O-N 2.84Å; T51-L54 PolarHBondContact O-N 3.2Å; T51-Y55 PolarHBondContact O-N 3.48Å; T51-V66 HydrophobicContact CG2-CG1 3.55Å; T51-M178 WeakPolarHBondContact OG1-CE 3.42Å; T51-Y617 HydrophobicContact CG2-CE1 4.47Å; T51-Y617 WeakPolarHBondContact CG2-OH 3.3Å; T51-L621 HydrophobicContact CG2-CD2 4.38Å |
| 52 | I | 67.7 | Low | 69.1 | Low | 22 Ų | 22 | 56.2 Ų | 56.2 | 11% | 0.113 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -54.4 | -47.6 | 171.4 | -67.6 | 159.5 | 0 | 0 | 0 | 110.5 | L48 G56 L621 L624 | L48-I52 HydrophobicContact CG-CD1 4.07Å; L48-I52 WeakPolarHBondContact O-CD1 3.36Å; L48-I52 VanDerWaalsContact O-CG1 3.23Å; L48-I52 WeakPolarHBondContact O-CG1 3.43Å; L48-I52 PolarHBondContact O-N 3.26Å; I52-G56 PolarHBondContact O-N 3.47Å; I52-L621 VanDerWaalsContact CA-CD2 3.5Å; I52-L621 HydrophobicContact CB-CD2 4.18Å; I52-L621 HydrophobicContact CG1-CD2 3.7Å; I52-L624 HydrophobicContact CD1-CB 4.43Å; I52-L624 HydrophobicContact CD1-CD1 3.73Å; I52-L624 HydrophobicContact CG1-CB 4.38Å; I52-L624 HydrophobicContact CG1-CD1 4.02Å; I52-L624 HydrophobicContact CG2-CB 3.84Å |
| 53 | S | 68.9 | Low | 67.1 | Low | 54 Ų | 54 | 53.3 Ų | 53.3 | 38% | 0.378 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 179.9 | -54.5 | 0 | 0 | 0 | 0 | 112.2 | A49 V50 T51 Y55 G56 L174 | A49-S53 PolarHBondContact O-N 2.84Å; A49-S53 PolarHBondContact O-OG 3.3Å; V50-S53 WeakPolarHBondContact O-CB 3.49Å; V50-S53 PolarHBondContact O-N 3.18Å; T51-S53 VanDerWaalsContact C-N 3.27Å; T51-S53 PolarHBondContact O-N 2.84Å; S53-Y55 VanDerWaalsContact C-N 3.35Å; S53-G56 PolarHBondContact O-N 2.97Å; S53-L174 WeakPolarHBondContact O-CD1 3.25Å |
| 54 | L | 70 | Confident | 65.2 | Low | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | -178.8 | -134.9 | 137.8 | 0 | 0 | 0 | 111 | V50 T51 G56 V57 T58 V66 Y116 Y171 L174 | V50-L54 HydrophobicContact CG1-CD1 4.16Å; V50-L54 WeakPolarHBondContact O-CB 3.35Å; V50-L54 PolarHBondContact O-N 3.47Å; T51-L54 PolarHBondContact O-N 3.2Å; L54-G56 VanDerWaalsContact C-N 3.25Å; L54-G56 PolarHBondContact O-N 3.01Å; L54-V57 PolarHBondContact O-N 2.78Å; L54-V57 VanDerWaalsContact O-N 3.14Å; L54-T58 HydrophobicContact CD2-CG2 3.95Å; L54-T58 WeakPolarHBondContact O-CG2 3.36Å; L54-T58 PolarHBondContact O-N 3.41Å; L54-T58 VanDerWaalsContact O-N 3.09Å; L54-T58 PolarHBondContact O-OG1 3.47Å; L54-V66 HydrophobicContact CD2-CG2 3.91Å; L54-Y116 HydrophobicContact CD1-CE1 3.7Å; L54-Y116 HydrophobicContact CD2-CE1 3.89Å; L54-Y116 HydrophobicContact CG-CE1 4.49Å; L54-Y171 HydrophobicContact CD2-CD2 4.17Å; L54-Y171 HydrophobicContact CD2-CE2 3.72Å; L54-L174 HydrophobicContact CD1-CB 3.77Å; L54-L174 HydrophobicContact CG-CB 3.88Å |
| 55 | Y | 59.6 | Low | 63.8 | Low | 47 Ų | 47 | 54.2 Ų | 54.2 | 18% | 0.184 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.8 | -37.1 | 177.2 | -169.4 | -95.1 | 0 | 0 | 0 | 112.6 | T51 S53 V57 T58 V66 M618 L621 I622 | T51-Y55 PolarHBondContact O-N 3.48Å; S53-Y55 VanDerWaalsContact C-N 3.35Å; Y55-V57 PolarHBondContact O-N 3.26Å; Y55-T58 WeakPolarHBondContact CA-OG1 3.43Å; Y55-T58 PolarHBondContact O-N 3.06Å; Y55-T58 PolarHBondContact O-OG1 3.49Å; Y55-V66 HydrophobicContact CD2-CG1 4.4Å; Y55-M618 HydrophobicContact CD2-CE 4.17Å; Y55-M618 HydrophobicContact CD2-SD 3.57Å; Y55-M618 VanDerWaalsContact CD2-SD 3.57Å; Y55-M618 HydrophobicContact CE2-CE 4.12Å; Y55-M618 HydrophobicContact CE2-SD 3.02Å; Y55-M618 WeakPolarHBondContact CE2-SD 3.23Å; Y55-L621 HydrophobicContact CD1-CB 3.77Å; Y55-L621 HydrophobicContact CD2-CB 4.35Å; Y55-L621 HydrophobicContact CD2-CD1 3.97Å; Y55-L621 HydrophobicContact CE1-CB 4.41Å; Y55-L621 HydrophobicContact CG-CB 3.72Å; Y55-L621 HydrophobicContact CG-CD1 4Å; Y55-L621 HydrophobicContact CG-CG 4.43Å; Y55-I622 HydrophobicContact CD1-CG1 4.3Å; Y55-I622 HydrophobicContact CE1-CB 4.36Å; Y55-I622 HydrophobicContact CE1-CD1 4.27Å; Y55-I622 HydrophobicContact CE1-CG1 3.33Å |
| 56 | G | 59.3 | Low | 62.5 | Low | 33 Ų | 33 | 50.2 Ų | 50.2 | 34% | 0.34 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -11.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | I52 S53 L54 N625 | I52-G56 PolarHBondContact O-N 3.47Å; S53-G56 PolarHBondContact O-N 2.97Å; L54-G56 VanDerWaalsContact C-N 3.25Å; L54-G56 PolarHBondContact O-N 3.01Å; G56-N625 WeakPolarHBondContact CA-ND2 3.45Å |
| 57 | V | 61.1 | Low | 61.1 | Low | 40 Ų | 40 | 47.7 Ų | 47.7 | 24% | 0.242 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | -12.1 | -177.1 | -167.8 | 0 | 0 | 0 | 0 | 111.8 | L54 Y55 V59 A167 L174 | L54-V57 PolarHBondContact O-N 2.78Å; L54-V57 VanDerWaalsContact O-N 3.14Å; Y55-V57 PolarHBondContact O-N 3.26Å; V57-V59 PolarHBondContact O-N 3Å; V57-A167 HydrophobicContact CG1-CB 4.47Å; V57-A167 WeakPolarHBondContact CG1-O 3.27Å; V57-L174 HydrophobicContact CB-CD1 4.47Å; V57-L174 HydrophobicContact CG2-CD1 3.94Å |
| 58 | T | 56.3 | Low | 59.8 | Low | 22 Ų | 22 | 48.5 Ų | 48.5 | 14% | 0.135 | 26% | 0.257 | C | S | . | . | trans | -75.4 | 120 | 178.4 | 40.3 | 0 | 0 | 0 | 0 | 112.3 | L54 Y55 V66 Y171 | L54-T58 HydrophobicContact CD2-CG2 3.95Å; L54-T58 WeakPolarHBondContact O-CG2 3.36Å; L54-T58 PolarHBondContact O-N 3.41Å; L54-T58 VanDerWaalsContact O-N 3.09Å; L54-T58 PolarHBondContact O-OG1 3.47Å; Y55-T58 WeakPolarHBondContact CA-OG1 3.43Å; Y55-T58 PolarHBondContact O-N 3.06Å; Y55-T58 PolarHBondContact O-OG1 3.49Å; T58-V66 HydrophobicContact CG2-CG2 3.75Å; T58-Y171 HydrophobicContact CG2-CD2 3.87Å; T58-Y171 HydrophobicContact CG2-CE2 3.51Å | ||
| 59 | V | 47.5 | Very low | 59.2 | Low | 102 Ų | 102 | 45.3 Ų | 45.3 | 62% | 0.618 | 24% | 0.241 | S | C | * | . | trans | -64.6 | 152.2 | 165.1 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | V57 Y61 Y62 A63 | V57-V59 PolarHBondContact O-N 3Å; V59-Y61 PolarHBondContact O-N 2.96Å; V59-Y62 PolarHBondContact O-N 3.29Å; V59-A63 PolarHBondContact O-N 3.15Å | ||
| 60 | E | 44.7 | Very low | 58.6 | Low | 180 Ų | 180 | 46.2 Ų | 46.2 | 84% | 0.841 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -42 | -37.7 | -177.3 | -73.6 | -175.1 | 152.6 | 0 | 0 | 114.2 | Y62 A63 | E60-Y62 VanDerWaalsContact C-N 3.3Å; E60-Y62 PolarHBondContact O-N 3.35Å; E60-A63 PolarHBondContact O-N 3.04Å |
| 61 | Y | 43.8 | Very low | 57.9 | Low | 208 Ų | 208 | 46.6 Ų | 46.6 | 82% | 0.816 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -63.6 | -26.5 | 178.1 | -97.7 | -87.2 | 0 | 0 | 0 | 115.4 | V59 | V59-Y61 PolarHBondContact O-N 2.96Å |
| 62 | Y | 50.8 | Low | 58 | Low | 83 Ų | 83 | 46.6 Ų | 46.6 | 33% | 0.325 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -105.8 | -6.3 | -179.1 | -63.4 | -72.3 | 0 | 0 | 0 | 113.3 | V59 E60 S64 L65 | V59-Y62 PolarHBondContact O-N 3.29Å; E60-Y62 VanDerWaalsContact C-N 3.3Å; E60-Y62 PolarHBondContact O-N 3.35Å; Y62-S64 PolarHBondContact O-N 2.92Å; Y62-L65 HydrophobicContact CD1-CD1 3.75Å; Y62-L65 WeakPolarHBondContact O-CB 3.3Å; Y62-L65 PolarHBondContact O-N 3.44Å |
| 63 | A | 48.1 | Very low | 58.3 | Low | 17 Ų | 17 | 45.7 Ų | 45.7 | 14% | 0.14 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.7 | -38.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V59 E60 L65 V66 Y67 | V59-A63 PolarHBondContact O-N 3.15Å; E60-A63 PolarHBondContact O-N 3.04Å; A63-L65 PolarHBondContact O-N 2.97Å; A63-L65 VanDerWaalsContact O-N 3.08Å; A63-V66 PolarHBondContact O-N 3.18Å; A63-V66 VanDerWaalsContact O-N 3.1Å; A63-Y67 WeakPolarHBondContact O-CD2 2.87Å; A63-Y67 WeakPolarHBondContact O-CE2 3.33Å |
| 64 | S | 49.8 | Very low | 58.3 | Low | 21 Ų | 21 | 43.4 Ų | 43.4 | 15% | 0.147 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55 | -27.8 | 177.1 | 66 | 0 | 0 | 0 | 0 | 113.3 | Y62 Y67 | Y62-S64 PolarHBondContact O-N 2.92Å; S64-Y67 VanDerWaalsContact CA-CD2 3.45Å; S64-Y67 WeakPolarHBondContact O-CB 2.97Å; S64-Y67 WeakPolarHBondContact O-CD2 3.42Å |
| 65 | L | 55 | Low | 58.6 | Low | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -82.5 | -24.8 | -177.6 | -73.8 | 151.2 | 0 | 0 | 0 | 113.4 | Y62 A63 Y67 E68 V115 N119 | Y62-L65 HydrophobicContact CD1-CD1 3.75Å; Y62-L65 WeakPolarHBondContact O-CB 3.3Å; Y62-L65 PolarHBondContact O-N 3.44Å; A63-L65 PolarHBondContact O-N 2.97Å; A63-L65 VanDerWaalsContact O-N 3.08Å; L65-Y67 PolarHBondContact O-N 3.38Å; L65-E68 PolarHBondContact O-N 3.23Å; L65-V115 HydrophobicContact CD2-CG1 3.76Å; L65-N119 WeakPolarHBondContact CD1-ND2 3.41Å; L65-N119 WeakPolarHBondContact CD1-OD1 3.29Å; L65-N119 WeakPolarHBondContact CD2-ND2 3.5Å |
| 66 | V | 55.2 | Low | 59.7 | Low | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65 | -33.3 | 171.6 | -174.7 | 0 | 0 | 0 | 0 | 110.1 | T51 L54 Y55 T58 A63 E68 A69 M618 L621 | T51-V66 HydrophobicContact CG2-CG1 3.55Å; L54-V66 HydrophobicContact CD2-CG2 3.91Å; Y55-V66 HydrophobicContact CD2-CG1 4.4Å; T58-V66 HydrophobicContact CG2-CG2 3.75Å; A63-V66 PolarHBondContact O-N 3.18Å; A63-V66 VanDerWaalsContact O-N 3.1Å; V66-E68 VanDerWaalsContact C-N 3.27Å; V66-E68 PolarHBondContact O-N 3.18Å; V66-A69 PolarHBondContact O-N 3.41Å; V66-M618 HydrophobicContact CB-CE 4.39Å; V66-M618 HydrophobicContact CG1-CE 4.39Å; V66-L621 HydrophobicContact CG1-CD1 4.25Å |
| 67 | Y | 54.9 | Low | 60.7 | Low | 25 Ų | 25 | 42.9 Ų | 42.9 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.9 | -34.9 | 175.2 | -61 | -95.6 | 0 | 0 | 0 | 111.9 | A63 S64 L65 A69 R70 Y614 M618 | A63-Y67 WeakPolarHBondContact O-CD2 2.87Å; A63-Y67 WeakPolarHBondContact O-CE2 3.33Å; S64-Y67 VanDerWaalsContact CA-CD2 3.45Å; S64-Y67 WeakPolarHBondContact O-CB 2.97Å; S64-Y67 WeakPolarHBondContact O-CD2 3.42Å; L65-Y67 PolarHBondContact O-N 3.38Å; Y67-A69 PolarHBondContact O-N 2.96Å; Y67-R70 WeakPolarHBondContact O-CB 3.07Å; Y67-R70 WeakPolarHBondContact O-CD 3.09Å; Y67-R70 WeakPolarHBondContact O-CG 3.04Å; Y67-R70 PolarHBondContact O-N 3.43Å; Y67-Y614 HydrophobicContact CD1-CD2 4.17Å; Y67-Y614 HydrophobicContact CD1-CE2 4.34Å; Y67-Y614 HydrophobicContact CD1-CG 4.46Å; Y67-Y614 AromaticContact CE1-CD1 3.94Å; Y67-Y614 HydrophobicContact CE1-CD1 3.94Å; Y67-Y614 AromaticContact CE1-CD2 3.95Å; Y67-Y614 HydrophobicContact CE1-CD2 3.95Å; Y67-Y614 HydrophobicContact CE1-CE1 4.22Å; Y67-Y614 HydrophobicContact CE1-CE2 4.23Å; Y67-Y614 AromaticContact CE1-CG 3.81Å; Y67-Y614 HydrophobicContact CE1-CG 3.81Å; Y67-Y614 WeakPolarHBondContact CE1-O 3.29Å; Y67-Y614 HydrophobicContact CE2-CE1 4.4Å; Y67-Y614 AromaticContact CZ-CD1 3.91Å; Y67-Y614 AromaticContact CZ-CE1 3.83Å; Y67-Y614 PolarHBondContact OH-O 3.33Å; Y67-M618 HydrophobicContact CD1-CE 3.36Å; Y67-M618 HydrophobicContact CD1-CG 4.33Å; Y67-M618 HydrophobicContact CD1-SD 4.46Å; Y67-M618 HydrophobicContact CD2-CE 3.56Å; Y67-M618 HydrophobicContact CE1-CE 3.17Å; Y67-M618 HydrophobicContact CE1-CG 3.29Å; Y67-M618 HydrophobicContact CE1-SD 3.69Å; Y67-M618 HydrophobicContact CE2-CE 3.41Å; Y67-M618 VanDerWaalsContact CE2-CE 3.41Å; Y67-M618 HydrophobicContact CE2-CG 4.43Å; Y67-M618 HydrophobicContact CE2-SD 3.88Å; Y67-M618 HydrophobicContact CG-CE 3.57Å; Y67-M618 WeakPolarHBondContact OH-CG 3.15Å; Y67-M618 PolarHBondContact OH-SD 2.96Å; Y67-M618 VanDerWaalsContact OH-SD 3.38Å |
| 68 | E | 57.6 | Low | 61.7 | Low | 18 Ų | 18 | 41.8 Ų | 41.8 | 8% | 0.084 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -9.5 | -173.6 | -65.7 | -57.8 | 175.6 | 0 | 0 | 114.1 | L65 V66 W71 V115 T248 I251 | L65-E68 PolarHBondContact O-N 3.23Å; V66-E68 VanDerWaalsContact C-N 3.27Å; V66-E68 PolarHBondContact O-N 3.18Å; E68-W71 PolarHBondContact O-NE1 3.27Å; E68-V115 HydrophobicContact CB-CG1 4.29Å; E68-T248 VanDerWaalsContact OE1-CA 3.31Å; E68-T248 WeakPolarHBondContact OE1-CA 3.36Å; E68-T248 WeakPolarHBondContact OE1-CB 3.37Å; E68-T248 PolarHBondContact OE1-OG1 3.35Å; E68-I251 HydrophobicContact CB-CD1 3.48Å; E68-I251 VanDerWaalsContact CB-CD1 3.48Å; E68-I251 HydrophobicContact CG-CD1 3.24Å; E68-I251 WeakPolarHBondContact OE2-CD1 2.97Å |
| 69 | A | 62.6 | Low | 63.1 | Low | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -7.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | W47 V66 Y67 W71 L72 P73 V112 Y116 M178 | W47-A69 VanDerWaalsContact CZ2-C 3.48Å; W47-A69 HydrophobicContact CZ2-CB 3.56Å; W47-A69 WeakPolarHBondContact CZ2-O 3.07Å; V66-A69 PolarHBondContact O-N 3.41Å; Y67-A69 PolarHBondContact O-N 2.96Å; A69-W71 VanDerWaalsContact C-N 3.25Å; A69-W71 PolarHBondContact O-N 2.93Å; A69-W71 VanDerWaalsContact O-N 3.07Å; A69-L72 VanDerWaalsContact O-CB 3.29Å; A69-L72 WeakPolarHBondContact O-CB 2.86Å; A69-L72 PolarHBondContact O-N 3.15Å; A69-P73 WeakPolarHBondContact O-CD 3.39Å; A69-V112 HydrophobicContact CB-CG1 3.97Å; A69-V112 HydrophobicContact CB-CG2 4.41Å; A69-Y116 HydrophobicContact CB-CE2 3.95Å; A69-M178 HydrophobicContact CB-CE 3.5Å; A69-M178 VanDerWaalsContact CB-CE 3.5Å |
| 70 | R | 63.4 | Low | 65 | Low | 71 Ų | 71 | 35.9 Ų | 35.9 | 27% | 0.268 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.1 | -165.9 | 70.6 | -157.3 | -173.6 | 152.8 | -10.2 | 115.7 | Y67 P73 Y608 S612 | Y67-R70 WeakPolarHBondContact O-CB 3.07Å; Y67-R70 WeakPolarHBondContact O-CD 3.09Å; Y67-R70 WeakPolarHBondContact O-CG 3.04Å; Y67-R70 PolarHBondContact O-N 3.43Å; R70-P73 VanDerWaalsContact O-CD 3.32Å; R70-P73 WeakPolarHBondContact O-CD 3.5Å; R70-P73 WeakPolarHBondContact O-CG 3.37Å; R70-Y608 WeakPolarHBondContact O-CE1 3.43Å; R70-S612 VanDerWaalsContact CD-CB 3.5Å; R70-S612 WeakPolarHBondContact CD-OG 3.15Å; R70-S612 WeakPolarHBondContact CG-OG 3.37Å; R70-S612 PolarHBondContact NE-OG 3.12Å; R70-S612 VanDerWaalsContact NE-OG 3.13Å; R70-S612 PolarHBondContact NH1-O 2.87Å; R70-S612 PolarHBondContact NH1-OG 3.31Å |
| 71 | W | 67.1 | Low | 66.9 | Low | 26 Ų | 26 | 29.7 Ų | 29.7 | 10% | 0.098 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -25.9 | 177.1 | 49.4 | 4.2 | 0 | 0 | 0 | 115 | E68 A69 A74 V75 V111 I251 L255 Y296 | E68-W71 PolarHBondContact O-NE1 3.27Å; A69-W71 VanDerWaalsContact C-N 3.25Å; A69-W71 PolarHBondContact O-N 2.93Å; A69-W71 VanDerWaalsContact O-N 3.07Å; W71-A74 PolarHBondContact O-N 3.2Å; W71-V75 WeakPolarHBondContact O-CG2 3.4Å; W71-V75 PolarHBondContact O-N 2.8Å; W71-V111 HydrophobicContact CH2-CB 4.45Å; W71-V111 HydrophobicContact CH2-CG1 3.95Å; W71-V111 HydrophobicContact CZ2-CB 3.95Å; W71-V111 HydrophobicContact CZ2-CG1 3.53Å; W71-I251 HydrophobicContact CH2-CB 4.44Å; W71-I251 HydrophobicContact CH2-CG2 3.08Å; W71-I251 HydrophobicContact CZ2-CG2 3.23Å; W71-I251 HydrophobicContact CZ3-CG2 4.03Å; W71-L255 HydrophobicContact CE3-CD2 3.62Å; W71-L255 HydrophobicContact CH2-CB 3.62Å; W71-L255 HydrophobicContact CH2-CD1 4.35Å; W71-L255 HydrophobicContact CH2-CD2 3.82Å; W71-L255 HydrophobicContact CH2-CG 4.1Å; W71-L255 HydrophobicContact CZ3-CB 3.82Å; W71-L255 HydrophobicContact CZ3-CD1 4.42Å; W71-L255 HydrophobicContact CZ3-CD2 3.15Å; W71-L255 HydrophobicContact CZ3-CG 3.93Å; W71-Y296 WeakPolarHBondContact CZ3-OH 3.29Å |
| 72 | L | 75.6 | Confident | 68.8 | Low | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60 | -45.3 | -174.6 | -177.6 | 55.9 | 0 | 0 | 0 | 113.2 | W47 A69 A74 V75 L76 C108 C109 V112 | W47-L72 VanDerWaalsContact CD1-CD2 3.49Å; W47-L72 HydrophobicContact CG-CD2 4.48Å; A69-L72 VanDerWaalsContact O-CB 3.29Å; A69-L72 WeakPolarHBondContact O-CB 2.86Å; A69-L72 PolarHBondContact O-N 3.15Å; L72-A74 VanDerWaalsContact C-N 3.34Å; L72-A74 PolarHBondContact O-N 2.94Å; L72-V75 PolarHBondContact O-N 3.23Å; L72-L76 HydrophobicContact CD1-CD1 3.92Å; L72-L76 HydrophobicContact CD1-CG 3.97Å; L72-L76 HydrophobicContact CD2-CD1 4.5Å; L72-L76 HydrophobicContact CG-CD1 3.78Å; L72-L76 HydrophobicContact CG-CG 4.3Å; L72-L76 WeakPolarHBondContact O-CB 2.89Å; L72-L76 VanDerWaalsContact O-CG 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.42Å; L72-L76 PolarHBondContact O-N 3.26Å; L72-C108 HydrophobicContact CD1-CB 4.27Å; L72-C109 HydrophobicContact CD1-CB 4.46Å; L72-C109 VanDerWaalsContact CD1-SG 3.5Å; L72-V112 HydrophobicContact CB-CG2 4.18Å; L72-V112 HydrophobicContact CD2-CB 4.11Å; L72-V112 HydrophobicContact CD2-CG1 3.98Å; L72-V112 HydrophobicContact CD2-CG2 4.18Å |
| 73 | P | 73.1 | Confident | 70.6 | Confident | 4 Ų | 4 | 16.9 Ų | 16.9 | 3% | 0.026 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.1 | -41 | 176 | 23.2 | -38.7 | 0 | 0 | 0 | 113.1 | W47 A69 R70 V75 L76 F77 Y608 | W47-P73 HydrophobicContact CD2-CB 4.24Å; W47-P73 HydrophobicContact CD2-CG 4.12Å; W47-P73 HydrophobicContact CE3-CB 3.6Å; W47-P73 HydrophobicContact CE3-CG 3.55Å; W47-P73 HydrophobicContact CH2-CG 3.61Å; W47-P73 HydrophobicContact CZ2-CG 4.14Å; W47-P73 HydrophobicContact CZ3-CB 3.81Å; W47-P73 HydrophobicContact CZ3-CG 3.3Å; A69-P73 WeakPolarHBondContact O-CD 3.39Å; R70-P73 VanDerWaalsContact O-CD 3.32Å; R70-P73 WeakPolarHBondContact O-CD 3.5Å; R70-P73 WeakPolarHBondContact O-CG 3.37Å; P73-V75 VanDerWaalsContact C-N 3.28Å; P73-V75 PolarHBondContact O-N 3.44Å; P73-L76 PolarHBondContact O-N 3.39Å; P73-F77 HydrophobicContact CB-CD2 4.11Å; P73-F77 HydrophobicContact CB-CE2 4.07Å; P73-F77 WeakPolarHBondContact O-CB 3.14Å; P73-F77 WeakPolarHBondContact O-CD2 3.41Å; P73-F77 WeakPolarHBondContact O-CG 3.11Å; P73-F77 PolarHBondContact O-N 3.13Å; P73-Y608 WeakPolarHBondContact CB-OH 3.33Å; P73-Y608 HydrophobicContact CG-CE1 4.4Å; P73-Y608 WeakPolarHBondContact CG-OH 3.26Å |
| 74 | A | 67.9 | Low | 72.4 | Confident | 6 Ų | 6 | 18.4 Ų | 18.4 | 5% | 0.05 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.5 | -50.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | W71 L72 L76 F77 L78 Y608 | W71-A74 PolarHBondContact O-N 3.2Å; L72-A74 VanDerWaalsContact C-N 3.34Å; L72-A74 PolarHBondContact O-N 2.94Å; A74-L76 VanDerWaalsContact C-N 3.33Å; A74-F77 PolarHBondContact O-N 2.97Å; A74-L78 HydrophobicContact CB-CD1 4.5Å; A74-L78 WeakPolarHBondContact O-CB 3.48Å; A74-L78 WeakPolarHBondContact O-CG 3.47Å; A74-L78 PolarHBondContact O-N 3.33Å; A74-Y608 WeakPolarHBondContact CA-OH 3.41Å; A74-Y608 HydrophobicContact CB-CD1 3.18Å; A74-Y608 HydrophobicContact CB-CD2 3.84Å; A74-Y608 HydrophobicContact CB-CE1 2.98Å; A74-Y608 HydrophobicContact CB-CE2 3.66Å; A74-Y608 HydrophobicContact CB-CG 3.6Å; A74-Y608 PolarHBondContact N-OH 3.46Å |
| 75 | V | 76.3 | Confident | 74 | Confident | 19 Ų | 19 | 19.2 Ų | 19.2 | 12% | 0.115 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -74.9 | -32 | -170.4 | -162.6 | 0 | 0 | 0 | 0 | 110.4 | W71 L72 P73 S79 C101 N105 | W71-V75 WeakPolarHBondContact O-CG2 3.4Å; W71-V75 PolarHBondContact O-N 2.8Å; L72-V75 PolarHBondContact O-N 3.23Å; P73-V75 VanDerWaalsContact C-N 3.28Å; P73-V75 PolarHBondContact O-N 3.44Å; V75-S79 WeakPolarHBondContact O-CB 3.32Å; V75-S79 PolarHBondContact O-N 2.92Å; V75-S79 PolarHBondContact O-OG 3.19Å; V75-C101 WeakPolarHBondContact CG1-O 3.18Å; V75-N105 HydrophobicContact CG1-CB 3.72Å |
| 76 | L | 83.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.9 | -52.2 | 170 | -73.6 | 173.6 | 0 | 0 | 0 | 112.1 | L40 L43 L72 P73 A74 S79 G80 N105 | L40-L76 HydrophobicContact CD2-CD2 4.03Å; L43-L76 HydrophobicContact CD2-CD1 4.22Å; L43-L76 HydrophobicContact CD2-CD2 3.81Å; L43-L76 HydrophobicContact CG-CD1 4.46Å; L72-L76 HydrophobicContact CD1-CD1 3.92Å; L72-L76 HydrophobicContact CD1-CG 3.97Å; L72-L76 HydrophobicContact CD2-CD1 4.5Å; L72-L76 HydrophobicContact CG-CD1 3.78Å; L72-L76 HydrophobicContact CG-CG 4.3Å; L72-L76 WeakPolarHBondContact O-CB 2.89Å; L72-L76 VanDerWaalsContact O-CG 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.42Å; L72-L76 PolarHBondContact O-N 3.26Å; P73-L76 PolarHBondContact O-N 3.39Å; A74-L76 VanDerWaalsContact C-N 3.33Å; L76-S79 PolarHBondContact O-N 3.42Å; L76-G80 PolarHBondContact O-N 3.44Å; L76-N105 WeakPolarHBondContact CD2-OD1 3.42Å |
| 77 | F | 81.2 | Confident | 76.7 | Confident | 50 Ų | 50 | 22.9 Ų | 22.9 | 22% | 0.219 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.6 | -47.3 | 179.9 | -76.3 | -58 | 0 | 0 | 0 | 111.8 | C41 V45 P73 A74 S79 G80 I81 | C41-F77 HydrophobicContact CB-CD1 4.31Å; C41-F77 WeakPolarHBondContact O-CE1 3.05Å; V45-F77 HydrophobicContact CG2-CE1 3.87Å; V45-F77 HydrophobicContact CG2-CZ 3.84Å; P73-F77 HydrophobicContact CB-CD2 4.11Å; P73-F77 HydrophobicContact CB-CE2 4.07Å; P73-F77 WeakPolarHBondContact O-CB 3.14Å; P73-F77 WeakPolarHBondContact O-CD2 3.41Å; P73-F77 WeakPolarHBondContact O-CG 3.11Å; P73-F77 PolarHBondContact O-N 3.13Å; A74-F77 PolarHBondContact O-N 2.97Å; F77-S79 VanDerWaalsContact C-N 3.35Å; F77-S79 PolarHBondContact O-N 3.48Å; F77-G80 PolarHBondContact O-N 2.82Å; F77-I81 HydrophobicContact CB-CD1 4.44Å; F77-I81 WeakPolarHBondContact O-CB 3.27Å; F77-I81 VanDerWaalsContact O-CG1 3.22Å; F77-I81 WeakPolarHBondContact O-CG1 3.26Å; F77-I81 PolarHBondContact O-N 3.41Å |
| 78 | L | 81 | Confident | 78 | Confident | 18 Ų | 18 | 28.4 Ų | 28.4 | 9% | 0.094 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 178.3 | -73.1 | 170.4 | 0 | 0 | 0 | 111.2 | A74 G80 I81 F82 W679 V683 | A74-L78 HydrophobicContact CB-CD1 4.5Å; A74-L78 WeakPolarHBondContact O-CB 3.48Å; A74-L78 WeakPolarHBondContact O-CG 3.47Å; A74-L78 PolarHBondContact O-N 3.33Å; L78-G80 VanDerWaalsContact C-N 3.32Å; L78-G80 PolarHBondContact O-N 2.97Å; L78-I81 PolarHBondContact O-N 2.74Å; L78-F82 HydrophobicContact CB-CD2 4.18Å; L78-F82 HydrophobicContact CB-CE2 4.15Å; L78-F82 HydrophobicContact CD2-CE2 3.93Å; L78-F82 HydrophobicContact CD2-CZ 4.35Å; L78-F82 VanDerWaalsContact O-CB 3.28Å; L78-F82 WeakPolarHBondContact O-CB 3.22Å; L78-F82 WeakPolarHBondContact O-CD2 3.29Å; L78-F82 WeakPolarHBondContact O-CG 3.48Å; L78-F82 PolarHBondContact O-N 3.11Å; L78-W679 HydrophobicContact CD2-CH2 4.24Å; L78-W679 HydrophobicContact CD2-CZ2 3.82Å; L78-W679 HydrophobicContact CG-CZ2 4.12Å; L78-V683 HydrophobicContact CD2-CG1 4.49Å; L78-V683 HydrophobicContact CD2-CG2 4.31Å |
| 79 | S | 86.5 | Confident | 78.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.3 | -42.6 | 174.7 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | V75 L76 F77 C83 C101 | V75-S79 WeakPolarHBondContact O-CB 3.32Å; V75-S79 PolarHBondContact O-N 2.92Å; V75-S79 PolarHBondContact O-OG 3.19Å; L76-S79 PolarHBondContact O-N 3.42Å; F77-S79 VanDerWaalsContact C-N 3.35Å; F77-S79 PolarHBondContact O-N 3.48Å; S79-C83 WeakPolarHBondContact O-CB 3.47Å; S79-C83 PolarHBondContact O-N 3.28Å; S79-C101 VanDerWaalsContact OG-C 3.29Å; S79-C101 PolarHBondContact OG-O 3.28Å |
| 80 | G | 86.5 | Confident | 79.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.6 | -50.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G37 L76 F77 L78 C83 L84 | G37-G80 WeakPolarHBondContact O-CA 3.37Å; L76-G80 PolarHBondContact O-N 3.44Å; F77-G80 PolarHBondContact O-N 2.82Å; L78-G80 VanDerWaalsContact C-N 3.32Å; L78-G80 PolarHBondContact O-N 2.97Å; G80-C83 WeakPolarHBondContact O-CB 3.1Å; G80-C83 PolarHBondContact O-N 2.87Å; G80-L84 WeakPolarHBondContact O-CG 3.37Å; G80-L84 PolarHBondContact O-N 3.13Å |
| 81 | I | 85 | Confident | 79.9 | Confident | 50 Ų | 50 | 33.7 Ų | 33.7 | 26% | 0.256 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63.2 | -48.7 | -179.8 | -68.5 | 166.2 | 0 | 0 | 0 | 110.6 | F77 L78 C83 L84 L85 W679 | F77-I81 HydrophobicContact CB-CD1 4.44Å; F77-I81 WeakPolarHBondContact O-CB 3.27Å; F77-I81 VanDerWaalsContact O-CG1 3.22Å; F77-I81 WeakPolarHBondContact O-CG1 3.26Å; F77-I81 PolarHBondContact O-N 3.41Å; L78-I81 PolarHBondContact O-N 2.74Å; I81-C83 VanDerWaalsContact C-N 3.27Å; I81-C83 PolarHBondContact O-N 2.99Å; I81-L84 WeakPolarHBondContact O-CB 3.31Å; I81-L84 PolarHBondContact O-N 3.26Å; I81-L84 VanDerWaalsContact O-N 3.11Å; I81-L85 HydrophobicContact CG2-CD1 3.75Å; I81-L85 HydrophobicContact CG2-CG 4.15Å; I81-L85 WeakPolarHBondContact O-CG 3.39Å; I81-L85 PolarHBondContact O-N 2.74Å; I81-W679 HydrophobicContact CD1-CH2 4.32Å |
| 82 | F | 83.9 | Confident | 80.2 | Confident | 22 Ų | 22 | 34.2 Ų | 34.2 | 10% | 0.096 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.5 | -33.2 | 177.9 | -73.9 | -50.2 | 0 | 0 | 0 | 112.3 | L78 L85 L86 L94 C98 C101 | L78-F82 HydrophobicContact CB-CD2 4.18Å; L78-F82 HydrophobicContact CB-CE2 4.15Å; L78-F82 HydrophobicContact CD2-CE2 3.93Å; L78-F82 HydrophobicContact CD2-CZ 4.35Å; L78-F82 VanDerWaalsContact O-CB 3.28Å; L78-F82 WeakPolarHBondContact O-CB 3.22Å; L78-F82 WeakPolarHBondContact O-CD2 3.29Å; L78-F82 WeakPolarHBondContact O-CG 3.48Å; L78-F82 PolarHBondContact O-N 3.11Å; F82-L85 HydrophobicContact CD1-CD1 4.1Å; F82-L85 HydrophobicContact CE1-CD1 4.48Å; F82-L85 PolarHBondContact O-N 3.05Å; F82-L86 WeakPolarHBondContact O-CB 3.31Å; F82-L86 PolarHBondContact O-N 2.83Å; F82-L94 HydrophobicContact CD1-CD2 4.11Å; F82-L94 HydrophobicContact CE1-CD2 4.46Å; F82-C98 HydrophobicContact CB-CB 3.88Å; F82-C101 HydrophobicContact CD2-CB 4.25Å |
| 83 | C | 88 | Confident | 79.8 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.4 | -44.3 | 171.7 | -174.2 | 0 | 0 | 0 | 0 | 111.6 | M33 S79 G80 I81 R87 | M33-C83 PolarHBondContact O-SG 2.86Å; S79-C83 WeakPolarHBondContact O-CB 3.47Å; S79-C83 PolarHBondContact O-N 3.28Å; G80-C83 WeakPolarHBondContact O-CB 3.1Å; G80-C83 PolarHBondContact O-N 2.87Å; I81-C83 VanDerWaalsContact C-N 3.27Å; I81-C83 PolarHBondContact O-N 2.99Å; C83-R87 PolarHBondContact O-N 3.25Å; C83-R87 VanDerWaalsContact O-N 3.12Å |
| 84 | L | 87.5 | Confident | 80 | Confident | 49 Ų | 49 | 35.9 Ų | 35.9 | 26% | 0.257 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67 | -42.6 | 176.4 | -65.5 | 172.7 | 0 | 0 | 0 | 112.5 | L34 G80 I81 R87 Q88 | L34-L84 HydrophobicContact CD1-CD2 3.62Å; G80-L84 WeakPolarHBondContact O-CG 3.37Å; G80-L84 PolarHBondContact O-N 3.13Å; I81-L84 WeakPolarHBondContact O-CB 3.31Å; I81-L84 PolarHBondContact O-N 3.26Å; I81-L84 VanDerWaalsContact O-N 3.11Å; L84-R87 WeakPolarHBondContact O-CB 3.46Å; L84-R87 PolarHBondContact O-N 2.97Å; L84-Q88 PolarHBondContact O-N 2.9Å; L84-Q88 VanDerWaalsContact O-N 3.13Å |
| 85 | L | 83.2 | Confident | 80.7 | Confident | 38 Ų | 38 | 35.6 Ų | 35.6 | 20% | 0.199 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.7 | -41 | 176.8 | -68.6 | 173.8 | 0 | 0 | 0 | 111.5 | I81 F82 R87 Q88 F89 L94 | I81-L85 HydrophobicContact CG2-CD1 3.75Å; I81-L85 HydrophobicContact CG2-CG 4.15Å; I81-L85 WeakPolarHBondContact O-CG 3.39Å; I81-L85 PolarHBondContact O-N 2.74Å; F82-L85 HydrophobicContact CD1-CD1 4.1Å; F82-L85 HydrophobicContact CE1-CD1 4.48Å; F82-L85 PolarHBondContact O-N 3.05Å; L85-R87 VanDerWaalsContact C-N 3.29Å; L85-R87 PolarHBondContact O-N 3Å; L85-Q88 PolarHBondContact O-N 3.28Å; L85-Q88 VanDerWaalsContact O-N 3.09Å; L85-F89 HydrophobicContact CB-CD2 4.35Å; L85-F89 HydrophobicContact CD2-CD2 4.06Å; L85-F89 HydrophobicContact CD2-CE2 3.68Å; L85-F89 WeakPolarHBondContact O-CD2 3.26Å; L85-F89 PolarHBondContact O-N 2.89Å; L85-L94 HydrophobicContact CB-CD1 4.24Å; L85-L94 HydrophobicContact CB-CD2 4.08Å; L85-L94 HydrophobicContact CD1-CD2 4.41Å |
| 86 | L | 83.1 | Confident | 81 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.6 | -40.4 | 176.2 | 177.5 | 60.3 | 0 | 0 | 0 | 111.2 | L28 F82 Q88 K90 L94 F95 C98 L196 | L28-L86 HydrophobicContact CD1-CG 4.48Å; F82-L86 WeakPolarHBondContact O-CB 3.31Å; F82-L86 PolarHBondContact O-N 2.83Å; L86-Q88 VanDerWaalsContact C-N 3.33Å; L86-Q88 PolarHBondContact O-N 3.38Å; L86-K90 VanDerWaalsContact O-CA 3.29Å; L86-K90 WeakPolarHBondContact O-CA 3.44Å; L86-K90 PolarHBondContact O-N 3.43Å; L86-L94 HydrophobicContact CB-CB 4.46Å; L86-L94 HydrophobicContact CD1-CB 4.17Å; L86-F95 HydrophobicContact CD1-CB 3.82Å; L86-F95 HydrophobicContact CD1-CD2 4.47Å; L86-F95 HydrophobicContact CD2-CB 4.38Å; L86-F95 HydrophobicContact CD2-CD2 3.97Å; L86-C98 HydrophobicContact CD2-CB 4.21Å; L86-L196 HydrophobicContact CD2-CD2 3.77Å |
| 87 | R | 84.2 | Confident | 80.8 | Confident | 84 Ų | 84 | 37.4 Ų | 37.4 | 32% | 0.317 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59 | -45.3 | 172.6 | 174.5 | -164.1 | 167.6 | -151.8 | -0.6 | 111.4 | S30 M33 L34 C83 L84 L85 | S30-R87 WeakPolarHBondContact O-CD 3.5Å; S30-R87 PolarHBondContact O-NE 3.39Å; M33-R87 HydrophobicContact CB-CB 4.27Å; L34-R87 VanDerWaalsContact CD1-NH1 3.29Å; C83-R87 PolarHBondContact O-N 3.25Å; C83-R87 VanDerWaalsContact O-N 3.12Å; L84-R87 WeakPolarHBondContact O-CB 3.46Å; L84-R87 PolarHBondContact O-N 2.97Å; L85-R87 VanDerWaalsContact C-N 3.29Å; L85-R87 PolarHBondContact O-N 3Å |
| 88 | Q | 81.2 | Confident | 81.1 | Confident | 142 Ų | 142 | 35 Ų | 35 | 66% | 0.664 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -70.6 | -50.1 | -173.9 | -167.5 | 101.7 | -5.1 | 0 | 0 | 111.9 | L84 L85 L86 | L84-Q88 PolarHBondContact O-N 2.9Å; L84-Q88 VanDerWaalsContact O-N 3.13Å; L85-Q88 PolarHBondContact O-N 3.28Å; L85-Q88 VanDerWaalsContact O-N 3.09Å; L86-Q88 VanDerWaalsContact C-N 3.33Å; L86-Q88 PolarHBondContact O-N 3.38Å |
| 89 | F | 73.8 | Confident | 81.4 | Confident | 91 Ų | 91 | 34.7 Ų | 34.7 | 40% | 0.399 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -105.1 | -22.1 | -165.6 | -66.9 | -68.4 | 0 | 0 | 0 | 114 | L85 F91 L94 | L85-F89 HydrophobicContact CB-CD2 4.35Å; L85-F89 HydrophobicContact CD2-CD2 4.06Å; L85-F89 HydrophobicContact CD2-CE2 3.68Å; L85-F89 WeakPolarHBondContact O-CD2 3.26Å; L85-F89 PolarHBondContact O-N 2.89Å; F89-F91 HydrophobicContact CB-CD2 3.58Å; F89-F91 HydrophobicContact CB-CE2 3.57Å; F89-F91 HydrophobicContact CB-CG 4.33Å; F89-F91 HydrophobicContact CB-CZ 4.32Å; F89-F91 HydrophobicContact CD1-CE2 4.03Å; F89-F91 HydrophobicContact CG-CD2 4.39Å; F89-F91 HydrophobicContact CG-CE2 4.06Å; F89-F91 PolarHBondContact O-N 3.44Å; F89-L94 HydrophobicContact CB-CD1 3.56Å; F89-L94 HydrophobicContact CD2-CD1 4.07Å; F89-L94 HydrophobicContact CG-CD1 4.21Å |
| 90 | K | 76.9 | Confident | 81.4 | Confident | 74 Ų | 74 | 35 Ų | 35 | 32% | 0.322 | 17% | 0.17 | S | C | . | . | trans | 54.7 | 34.9 | 173.9 | -61.7 | 179.7 | 179.7 | -173.1 | 0 | 114.2 | F25 E26 L86 | F25-K90 HydrophobicContact CB-CB 3.84Å; F25-K90 HydrophobicContact CB-CG 4.44Å; F25-K90 WeakPolarHBondContact CD2-O 3.3Å; F25-K90 WeakPolarHBondContact O-CD 3.42Å; E26-K90 PolarHBondContact O-NZ 2.83Å; E26-K90 VanDerWaalsContact O-NZ 3.08Å; L86-K90 VanDerWaalsContact O-CA 3.29Å; L86-K90 WeakPolarHBondContact O-CA 3.44Å; L86-K90 PolarHBondContact O-N 3.43Å | ||
| 91 | F | 72 | Confident | 81.3 | Confident | 34 Ų | 34 | 36 Ų | 36 | 15% | 0.149 | 18% | 0.177 | C | C | . | . | trans | -88.6 | 149 | 177.7 | -61.6 | -45.4 | 0 | 0 | 0 | 112.4 | F89 S93 L94 F95 V691 | F89-F91 HydrophobicContact CB-CD2 3.58Å; F89-F91 HydrophobicContact CB-CE2 3.57Å; F89-F91 HydrophobicContact CB-CG 4.33Å; F89-F91 HydrophobicContact CB-CZ 4.32Å; F89-F91 HydrophobicContact CD1-CE2 4.03Å; F89-F91 HydrophobicContact CG-CD2 4.39Å; F89-F91 HydrophobicContact CG-CE2 4.06Å; F89-F91 PolarHBondContact O-N 3.44Å; F91-S93 PolarHBondContact O-N 3.33Å; F91-L94 HydrophobicContact CB-CB 4.38Å; F91-L94 HydrophobicContact CB-CD1 4.17Å; F91-L94 HydrophobicContact CB-CG 4.29Å; F91-L94 HydrophobicContact CD2-CD1 3.87Å; F91-L94 HydrophobicContact CG-CD1 4.46Å; F91-L94 PolarHBondContact O-N 2.92Å; F91-F95 PolarHBondContact O-N 2.89Å; F91-V691 HydrophobicContact CD2-CG2 4.05Å; F91-V691 HydrophobicContact CE2-CG1 4.43Å; F91-V691 HydrophobicContact CE2-CG2 3.63Å | ||
| 92 | E | 73.6 | Confident | 81.5 | Confident | 38 Ų | 38 | 33.6 Ų | 33.6 | 18% | 0.178 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.7 | -42.5 | 177.2 | -163.1 | -170.9 | 175.3 | 0 | 0 | 111.7 | F25 L94 F95 I96 L277 K280 | F25-E92 HydrophobicContact CE2-CB 4.18Å; F25-E92 HydrophobicContact CZ-CB 4.4Å; F25-E92 HydrophobicContact CZ-CG 4.39Å; E92-L94 VanDerWaalsContact C-N 3.32Å; E92-L94 PolarHBondContact O-N 3.06Å; E92-F95 WeakPolarHBondContact O-CB 3.43Å; E92-F95 PolarHBondContact O-N 3.17Å; E92-F95 VanDerWaalsContact O-N 3.08Å; E92-I96 HydrophobicContact CG-CD1 4.14Å; E92-I96 VanDerWaalsContact O-CG1 3.31Å; E92-I96 WeakPolarHBondContact O-CG1 3.45Å; E92-I96 PolarHBondContact O-N 3.3Å; E92-L277 HydrophobicContact CG-CD1 3.31Å; E92-L277 VanDerWaalsContact OE1-CD1 3.26Å; E92-L277 WeakPolarHBondContact OE1-CD1 3.23Å; E92-K280 WeakPolarHBondContact OE1-CD 3.43Å; E92-K280 WeakPolarHBondContact OE1-CE 3.31Å; E92-K280 IonicContact OE1-NZ 3.73Å; E92-K280 PolarHBondContact OE1-NZ 3.17Å; E92-K280 IonicContact OE2-NZ 2.89Å; E92-K280 PolarHBondContact OE2-NZ 2.97Å |
| 93 | S | 67.8 | Low | 81.8 | Confident | 31 Ų | 31 | 33.6 Ų | 33.6 | 22% | 0.217 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.3 | -40.8 | 176.6 | 54.2 | 0 | 0 | 0 | 0 | 112.8 | F91 F95 I96 S97 | F91-S93 PolarHBondContact O-N 3.33Å; S93-F95 VanDerWaalsContact C-N 3.34Å; S93-I96 PolarHBondContact O-N 3.11Å; S93-S97 WeakPolarHBondContact O-CB 3.13Å; S93-S97 PolarHBondContact O-N 2.77Å; S93-S97 PolarHBondContact O-OG 2.99Å |
| 94 | L | 76.1 | Confident | 81.7 | Confident | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68 | -35.6 | 174.4 | -72.9 | 172.7 | 0 | 0 | 0 | 111.8 | F82 L85 L86 F89 F91 E92 C98 T687 | F82-L94 HydrophobicContact CD1-CD2 4.11Å; F82-L94 HydrophobicContact CE1-CD2 4.46Å; L85-L94 HydrophobicContact CB-CD1 4.24Å; L85-L94 HydrophobicContact CB-CD2 4.08Å; L85-L94 HydrophobicContact CD1-CD2 4.41Å; L86-L94 HydrophobicContact CB-CB 4.46Å; L86-L94 HydrophobicContact CD1-CB 4.17Å; F89-L94 HydrophobicContact CB-CD1 3.56Å; F89-L94 HydrophobicContact CD2-CD1 4.07Å; F89-L94 HydrophobicContact CG-CD1 4.21Å; F91-L94 HydrophobicContact CB-CB 4.38Å; F91-L94 HydrophobicContact CB-CD1 4.17Å; F91-L94 HydrophobicContact CB-CG 4.29Å; F91-L94 HydrophobicContact CD2-CD1 3.87Å; F91-L94 HydrophobicContact CG-CD1 4.46Å; F91-L94 PolarHBondContact O-N 2.92Å; E92-L94 VanDerWaalsContact C-N 3.32Å; E92-L94 PolarHBondContact O-N 3.06Å; L94-C98 WeakPolarHBondContact O-CB 3.28Å; L94-C98 PolarHBondContact O-N 3.31Å; L94-T687 HydrophobicContact CD2-CG2 4.34Å |
| 95 | F | 84.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.1 | -48.5 | 174.9 | -179.1 | -80.3 | 0 | 0 | 0 | 110.6 | F25 L86 F91 E92 S93 S97 C98 A99 L196 I199 A200 L277 V281 | F25-F95 HydrophobicContact CE1-CB 4.01Å; F25-F95 AromaticContact CE1-CD2 3.69Å; F25-F95 HydrophobicContact CE1-CD2 3.69Å; F25-F95 HydrophobicContact CE1-CE2 4.44Å; F25-F95 AromaticContact CE1-CG 3.99Å; F25-F95 HydrophobicContact CE1-CG 3.99Å; F25-F95 HydrophobicContact CZ-CB 4.09Å; F25-F95 HydrophobicContact CZ-CD2 4.47Å; F25-F95 HydrophobicContact CZ-CG 4.34Å; L86-F95 HydrophobicContact CD1-CB 3.82Å; L86-F95 HydrophobicContact CD1-CD2 4.47Å; L86-F95 HydrophobicContact CD2-CB 4.38Å; L86-F95 HydrophobicContact CD2-CD2 3.97Å; F91-F95 PolarHBondContact O-N 2.89Å; E92-F95 WeakPolarHBondContact O-CB 3.43Å; E92-F95 PolarHBondContact O-N 3.17Å; E92-F95 VanDerWaalsContact O-N 3.08Å; S93-F95 VanDerWaalsContact C-N 3.34Å; F95-S97 VanDerWaalsContact C-N 3.35Å; F95-S97 PolarHBondContact O-N 2.98Å; F95-C98 PolarHBondContact O-N 3.25Å; F95-A99 HydrophobicContact CE1-CB 4.46Å; F95-A99 WeakPolarHBondContact O-CB 3.46Å; F95-A99 PolarHBondContact O-N 3.22Å; F95-L196 HydrophobicContact CD2-CD2 3.87Å; F95-L196 HydrophobicContact CE2-CB 4.11Å; F95-L196 HydrophobicContact CE2-CD2 3.5Å; F95-L196 HydrophobicContact CE2-CG 4.41Å; F95-L196 HydrophobicContact CZ-CB 3.88Å; F95-L196 HydrophobicContact CZ-CD2 4.08Å; F95-L196 WeakPolarHBondContact CZ-O 3.39Å; F95-I199 HydrophobicContact CE2-CB 4.26Å; F95-I199 HydrophobicContact CE2-CG2 4Å; F95-A200 HydrophobicContact CZ-CB 4.11Å; F95-L277 HydrophobicContact CD1-CD1 3.89Å; F95-L277 HydrophobicContact CD1-CD2 3.47Å; F95-L277 VanDerWaalsContact CD1-CD2 3.47Å; F95-L277 HydrophobicContact CD1-CG 3.69Å; F95-L277 HydrophobicContact CD2-CD2 4.39Å; F95-L277 HydrophobicContact CE1-CD1 4.4Å; F95-L277 HydrophobicContact CE1-CD2 3.36Å; F95-L277 HydrophobicContact CE1-CG 3.69Å; F95-L277 HydrophobicContact CE2-CD2 4.28Å; F95-L277 HydrophobicContact CG-CD2 4.01Å; F95-L277 HydrophobicContact CZ-CD2 3.78Å; F95-V281 HydrophobicContact CE1-CG2 4.47Å |
| 96 | I | 82 | Confident | 82.1 | Confident | 22 Ų | 22 | 33.2 Ų | 33.2 | 11% | 0.113 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.3 | -48.1 | -179.9 | -65.3 | 161.6 | 0 | 0 | 0 | 109.8 | E92 S93 C98 A99 T100 L277 K280 V281 L284 | E92-I96 HydrophobicContact CG-CD1 4.14Å; E92-I96 VanDerWaalsContact O-CG1 3.31Å; E92-I96 WeakPolarHBondContact O-CG1 3.45Å; E92-I96 PolarHBondContact O-N 3.3Å; S93-I96 PolarHBondContact O-N 3.11Å; I96-C98 PolarHBondContact O-N 3.04Å; I96-A99 PolarHBondContact O-N 3.43Å; I96-T100 PolarHBondContact O-N 3.12Å; I96-T100 PolarHBondContact O-OG1 3.45Å; I96-T100 VanDerWaalsContact O-OG1 3.11Å; I96-L277 HydrophobicContact CD1-CD1 4.36Å; I96-L277 HydrophobicContact CG1-CD1 4Å; I96-K280 HydrophobicContact CD1-CB 3.69Å; I96-K280 HydrophobicContact CD1-CD 3.86Å; I96-K280 HydrophobicContact CD1-CG 4.42Å; I96-K280 HydrophobicContact CG1-CB 4.22Å; I96-V281 HydrophobicContact CB-CG2 4.38Å; I96-V281 HydrophobicContact CG1-CG2 4.22Å; I96-V281 HydrophobicContact CG2-CG2 4.23Å; I96-L284 HydrophobicContact CG2-CB 4.03Å; I96-L284 HydrophobicContact CG2-CD2 3.63Å; I96-L284 HydrophobicContact CG2-CG 4.47Å |
| 97 | S | 79 | Confident | 82.3 | Confident | 35 Ų | 35 | 33.2 Ų | 33.2 | 25% | 0.245 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.6 | -44.7 | 179 | -53 | 0 | 0 | 0 | 0 | 111.9 | S93 F95 A99 T100 C101 | S93-S97 WeakPolarHBondContact O-CB 3.13Å; S93-S97 PolarHBondContact O-N 2.77Å; S93-S97 PolarHBondContact O-OG 2.99Å; F95-S97 VanDerWaalsContact C-N 3.35Å; F95-S97 PolarHBondContact O-N 2.98Å; S97-A99 PolarHBondContact O-N 3.2Å; S97-T100 PolarHBondContact O-N 3.14Å; S97-C101 WeakPolarHBondContact O-CB 3.29Å; S97-C101 PolarHBondContact O-N 3.31Å; S97-C101 PolarHBondContact O-SG 2.94Å |
| 98 | C | 86.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61 | -44.2 | 176.7 | -172.9 | 0 | 0 | 0 | 0 | 111.8 | F82 L86 L94 F95 I96 A102 | F82-C98 HydrophobicContact CB-CB 3.88Å; L86-C98 HydrophobicContact CD2-CB 4.21Å; L94-C98 WeakPolarHBondContact O-CB 3.28Å; L94-C98 PolarHBondContact O-N 3.31Å; F95-C98 PolarHBondContact O-N 3.25Å; I96-C98 PolarHBondContact O-N 3.04Å; C98-A102 VanDerWaalsContact O-CB 3.25Å; C98-A102 WeakPolarHBondContact O-CB 3.26Å; C98-A102 PolarHBondContact O-N 2.68Å |
| 99 | A | 88.1 | Confident | 82.8 | Confident | 10 Ų | 10 | 22.6 Ų | 22.6 | 8% | 0.083 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.1 | -44.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F95 I96 S97 A102 L103 L196 V281 | F95-A99 HydrophobicContact CE1-CB 4.46Å; F95-A99 WeakPolarHBondContact O-CB 3.46Å; F95-A99 PolarHBondContact O-N 3.22Å; I96-A99 PolarHBondContact O-N 3.43Å; S97-A99 PolarHBondContact O-N 3.2Å; A99-A102 PolarHBondContact O-N 3.17Å; A99-L103 WeakPolarHBondContact O-CG 3.08Å; A99-L103 PolarHBondContact O-N 2.94Å; A99-L103 VanDerWaalsContact O-N 3.09Å; A99-L196 HydrophobicContact CB-CD1 4.01Å; A99-V281 HydrophobicContact CB-CG1 3.98Å; A99-V281 HydrophobicContact CB-CG2 3.86Å |
| 100 | T | 86.6 | Confident | 83.5 | Confident | 6 Ų | 6 | 20.9 Ų | 20.9 | 4% | 0.037 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.7 | -48.6 | 176.8 | -62.5 | 0 | 0 | 0 | 0 | 111 | I96 S97 A102 L103 Y104 L284 L285 | I96-T100 PolarHBondContact O-N 3.12Å; I96-T100 PolarHBondContact O-OG1 3.45Å; I96-T100 VanDerWaalsContact O-OG1 3.11Å; S97-T100 PolarHBondContact O-N 3.14Å; T100-A102 VanDerWaalsContact C-N 3.33Å; T100-A102 PolarHBondContact O-N 3.02Å; T100-L103 PolarHBondContact O-N 3.48Å; T100-Y104 HydrophobicContact CG2-CD2 4.02Å; T100-Y104 HydrophobicContact CG2-CE2 4.14Å; T100-Y104 WeakPolarHBondContact O-CD2 3.38Å; T100-Y104 PolarHBondContact O-N 3.02Å; T100-L284 HydrophobicContact CG2-CD2 4.27Å; T100-L284 HydrophobicContact CG2-CG 4.35Å; T100-L285 HydrophobicContact CG2-CD2 3.9Å; T100-L285 HydrophobicContact CG2-CG 4.29Å |
| 101 | C | 85.3 | Confident | 83.9 | Confident | 22 Ų | 22 | 17.4 Ų | 17.4 | 15% | 0.149 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.7 | -39 | 176.2 | -73.3 | 0 | 0 | 0 | 0 | 112.4 | V75 S79 F82 S97 L103 Y104 N105 | V75-C101 WeakPolarHBondContact CG1-O 3.18Å; S79-C101 VanDerWaalsContact OG-C 3.29Å; S79-C101 PolarHBondContact OG-O 3.28Å; F82-C101 HydrophobicContact CD2-CB 4.25Å; S97-C101 WeakPolarHBondContact O-CB 3.29Å; S97-C101 PolarHBondContact O-N 3.31Å; S97-C101 PolarHBondContact O-SG 2.94Å; C101-L103 VanDerWaalsContact C-N 3.32Å; C101-L103 PolarHBondContact O-N 3.42Å; C101-Y104 PolarHBondContact O-N 3.48Å; C101-N105 WeakPolarHBondContact O-CB 2.9Å; C101-N105 PolarHBondContact O-N 3.43Å |
| 102 | A | 89.2 | Confident | 84.4 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.7 | -37.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C98 A99 T100 N105 F106 L192 I193 | C98-A102 VanDerWaalsContact O-CB 3.25Å; C98-A102 WeakPolarHBondContact O-CB 3.26Å; C98-A102 PolarHBondContact O-N 2.68Å; A99-A102 PolarHBondContact O-N 3.17Å; T100-A102 VanDerWaalsContact C-N 3.33Å; T100-A102 PolarHBondContact O-N 3.02Å; A102-N105 WeakPolarHBondContact O-CB 3.37Å; A102-N105 PolarHBondContact O-N 2.97Å; A102-F106 PolarHBondContact O-N 3.48Å; A102-F106 VanDerWaalsContact O-N 3.1Å; A102-L192 HydrophobicContact CB-CB 4.43Å; A102-L192 HydrophobicContact CB-CD2 3.66Å; A102-L192 HydrophobicContact CB-CG 3.92Å; A102-I193 HydrophobicContact CB-CG1 3.9Å |
| 103 | L | 89.9 | Confident | 85.1 | Confident | 21 Ų | 21 | 17.5 Ų | 17.5 | 11% | 0.11 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.1 | -43.6 | 174.9 | -72.6 | 166 | 0 | 0 | 0 | 111.7 | A99 T100 C101 N105 F106 A107 I193 L262 V281 L285 | A99-L103 WeakPolarHBondContact O-CG 3.08Å; A99-L103 PolarHBondContact O-N 2.94Å; A99-L103 VanDerWaalsContact O-N 3.09Å; T100-L103 PolarHBondContact O-N 3.48Å; C101-L103 VanDerWaalsContact C-N 3.32Å; C101-L103 PolarHBondContact O-N 3.42Å; L103-N105 VanDerWaalsContact C-N 3.26Å; L103-N105 PolarHBondContact O-N 3.43Å; L103-F106 WeakPolarHBondContact O-CB 3.49Å; L103-F106 PolarHBondContact O-N 3.22Å; L103-A107 PolarHBondContact O-N 2.97Å; L103-A107 VanDerWaalsContact O-N 3.09Å; L103-I193 HydrophobicContact CD2-CD1 3.82Å; L103-I193 HydrophobicContact CD2-CG1 4.2Å; L103-I193 HydrophobicContact CD2-CG2 4.32Å; L103-I193 HydrophobicContact CG-CD1 4.37Å; L103-I193 HydrophobicContact CG-CG1 4.44Å; L103-L262 HydrophobicContact CB-CD1 4.27Å; L103-L262 HydrophobicContact CD2-CB 4.38Å; L103-L262 HydrophobicContact CD2-CD1 4.28Å; L103-L262 HydrophobicContact CD2-CD2 4.1Å; L103-L262 HydrophobicContact CD2-CG 4.5Å; L103-L262 VanDerWaalsContact O-CD1 3.23Å; L103-L262 WeakPolarHBondContact O-CD1 3.42Å; L103-V281 HydrophobicContact CD1-CG1 4.39Å; L103-L285 HydrophobicContact CB-CD2 4.29Å; L103-L285 HydrophobicContact CD1-CD1 3.47Å; L103-L285 VanDerWaalsContact CD1-CD1 3.47Å; L103-L285 HydrophobicContact CD1-CD2 4.12Å; L103-L285 HydrophobicContact CD1-CG 4.33Å |
| 104 | Y | 85.8 | Confident | 85.9 | Confident | 32 Ų | 32 | 17.9 Ų | 17.9 | 13% | 0.125 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.2 | -39.7 | 171.3 | -92.7 | -78.8 | 0 | 0 | 0 | 111.9 | T100 C101 F106 A107 C108 T259 L285 C288 Q292 | T100-Y104 HydrophobicContact CG2-CD2 4.02Å; T100-Y104 HydrophobicContact CG2-CE2 4.14Å; T100-Y104 WeakPolarHBondContact O-CD2 3.38Å; T100-Y104 PolarHBondContact O-N 3.02Å; C101-Y104 PolarHBondContact O-N 3.48Å; Y104-F106 VanDerWaalsContact C-N 3.28Å; Y104-F106 PolarHBondContact O-N 3.5Å; Y104-A107 PolarHBondContact O-N 3.01Å; Y104-C108 WeakPolarHBondContact O-CB 3.16Å; Y104-C108 PolarHBondContact O-N 2.96Å; Y104-C108 PolarHBondContact O-SG 3.31Å; Y104-C108 VanDerWaalsContact O-SG 3.33Å; Y104-T259 HydrophobicContact CD1-CG2 4.1Å; Y104-T259 HydrophobicContact CE1-CG2 3.8Å; Y104-L285 HydrophobicContact CD2-CD2 4.43Å; Y104-L285 HydrophobicContact CE2-CD2 4.25Å; Y104-C288 HydrophobicContact CE2-CB 3.82Å; Y104-C288 WeakPolarHBondContact OH-CB 3.37Å; Y104-Q292 PolarHBondContact OH-OE1 3.3Å |
| 105 | N | 88.4 | Confident | 86 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.1 | -46.6 | 179.7 | -176.9 | 30.9 | 0 | 0 | 0 | 109.7 | V75 L76 C101 A102 L103 A107 C108 C109 | V75-N105 HydrophobicContact CG1-CB 3.72Å; L76-N105 WeakPolarHBondContact CD2-OD1 3.42Å; C101-N105 WeakPolarHBondContact O-CB 2.9Å; C101-N105 PolarHBondContact O-N 3.43Å; A102-N105 WeakPolarHBondContact O-CB 3.37Å; A102-N105 PolarHBondContact O-N 2.97Å; L103-N105 VanDerWaalsContact C-N 3.26Å; L103-N105 PolarHBondContact O-N 3.43Å; N105-A107 VanDerWaalsContact C-N 3.35Å; N105-A107 PolarHBondContact O-N 3.3Å; N105-C108 PolarHBondContact O-N 3.06Å; N105-C109 WeakPolarHBondContact O-CB 3.29Å; N105-C109 PolarHBondContact O-N 3Å; N105-C109 PolarHBondContact O-SG 3.13Å; N105-C109 PolarHBondContact OD1-SG 3.38Å |
| 106 | F | 90 | Very high | 85.8 | Confident | 47 Ų | 47 | 17.7 Ų | 17.7 | 21% | 0.206 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.9 | -45.7 | 177.8 | -164.9 | -96 | 0 | 0 | 0 | 111.8 | A102 L103 Y104 Q110 L186 A190 I193 L262 | A102-F106 PolarHBondContact O-N 3.48Å; A102-F106 VanDerWaalsContact O-N 3.1Å; L103-F106 WeakPolarHBondContact O-CB 3.49Å; L103-F106 PolarHBondContact O-N 3.22Å; Y104-F106 VanDerWaalsContact C-N 3.28Å; Y104-F106 PolarHBondContact O-N 3.5Å; F106-Q110 WeakPolarHBondContact O-CG 3.47Å; F106-Q110 PolarHBondContact O-N 3.42Å; F106-L186 HydrophobicContact CD2-CD2 3.8Å; F106-L186 HydrophobicContact CE2-CB 4.38Å; F106-L186 HydrophobicContact CE2-CD2 3.84Å; F106-L186 HydrophobicContact CG-CD2 4.17Å; F106-L186 HydrophobicContact CZ-CD2 4.26Å; F106-L186 WeakPolarHBondContact O-CD2 3.36Å; F106-A190 HydrophobicContact CE2-CB 4.12Å; F106-I193 HydrophobicContact CB-CD1 3.99Å; F106-I193 HydrophobicContact CD2-CD1 4.42Å; F106-I193 HydrophobicContact CG-CD1 4.3Å; F106-L262 HydrophobicContact CD1-CD1 4.44Å; F106-L262 HydrophobicContact CD1-CD2 4.05Å |
| 107 | A | 87.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.7 | -49.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L103 Y104 N105 C109 Q110 V111 L255 L258 T259 L262 | L103-A107 PolarHBondContact O-N 2.97Å; L103-A107 VanDerWaalsContact O-N 3.09Å; Y104-A107 PolarHBondContact O-N 3.01Å; N105-A107 VanDerWaalsContact C-N 3.35Å; N105-A107 PolarHBondContact O-N 3.3Å; A107-C109 PolarHBondContact O-N 2.93Å; A107-Q110 WeakPolarHBondContact O-CB 3.44Å; A107-Q110 PolarHBondContact O-N 3.26Å; A107-Q110 VanDerWaalsContact O-N 3.11Å; A107-V111 WeakPolarHBondContact O-CG2 3.4Å; A107-V111 PolarHBondContact O-N 3.26Å; A107-V111 VanDerWaalsContact O-N 3.07Å; A107-L255 HydrophobicContact CB-CD1 3.83Å; A107-L258 HydrophobicContact CB-CB 4.1Å; A107-T259 HydrophobicContact CB-CG2 3.96Å; A107-L262 HydrophobicContact CB-CD1 4.07Å |
| 108 | C | 85.6 | Confident | 85.7 | Confident | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.02 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.1 | -42.7 | -179.7 | -69 | 0 | 0 | 0 | 0 | 112.3 | L72 Y104 N105 Q110 V111 V112 | L72-C108 HydrophobicContact CD1-CB 4.27Å; Y104-C108 WeakPolarHBondContact O-CB 3.16Å; Y104-C108 PolarHBondContact O-N 2.96Å; Y104-C108 PolarHBondContact O-SG 3.31Å; Y104-C108 VanDerWaalsContact O-SG 3.33Å; N105-C108 PolarHBondContact O-N 3.06Å; C108-Q110 VanDerWaalsContact C-N 3.28Å; C108-Q110 PolarHBondContact O-N 3.39Å; C108-V111 PolarHBondContact O-N 3.31Å; C108-V112 WeakPolarHBondContact O-CG2 3.3Å; C108-V112 PolarHBondContact O-N 2.96Å |
| 109 | C | 89.2 | Confident | 85 | Confident | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.007 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.9 | -38.4 | 176 | -72.7 | 0 | 0 | 0 | 0 | 112.2 | L72 N105 A107 F113 L186 | L72-C109 HydrophobicContact CD1-CB 4.46Å; L72-C109 VanDerWaalsContact CD1-SG 3.5Å; N105-C109 WeakPolarHBondContact O-CB 3.29Å; N105-C109 PolarHBondContact O-N 3Å; N105-C109 PolarHBondContact O-SG 3.13Å; N105-C109 PolarHBondContact OD1-SG 3.38Å; A107-C109 PolarHBondContact O-N 2.93Å; C109-F113 WeakPolarHBondContact O-CB 3.28Å; C109-F113 PolarHBondContact O-N 3Å; C109-L186 HydrophobicContact CB-CD2 3.57Å; C109-L186 HydrophobicContact CB-CG 3.72Å |
| 110 | Q | 89.4 | Confident | 84.5 | Confident | 55 Ų | 55 | 20 Ų | 20 | 26% | 0.257 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -67.1 | -44.9 | 177 | -70.5 | -173.3 | -10.1 | 0 | 0 | 111.7 | F106 A107 C108 F113 V114 L186 L258 | F106-Q110 WeakPolarHBondContact O-CG 3.47Å; F106-Q110 PolarHBondContact O-N 3.42Å; A107-Q110 WeakPolarHBondContact O-CB 3.44Å; A107-Q110 PolarHBondContact O-N 3.26Å; A107-Q110 VanDerWaalsContact O-N 3.11Å; C108-Q110 VanDerWaalsContact C-N 3.28Å; C108-Q110 PolarHBondContact O-N 3.39Å; Q110-F113 PolarHBondContact O-N 3.2Å; Q110-V114 WeakPolarHBondContact O-CG2 3.44Å; Q110-V114 PolarHBondContact O-N 3.48Å; Q110-L186 HydrophobicContact CG-CD1 4.28Å; Q110-L186 HydrophobicContact CG-CD2 3.57Å; Q110-L258 HydrophobicContact CB-CD1 3.72Å |
| 111 | V | 84.2 | Confident | 84.1 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.1 | -49.8 | 179.9 | -178 | 0 | 0 | 0 | 0 | 110.8 | W71 A107 C108 F113 V114 V115 I251 L254 L255 L258 | W71-V111 HydrophobicContact CH2-CB 4.45Å; W71-V111 HydrophobicContact CH2-CG1 3.95Å; W71-V111 HydrophobicContact CZ2-CB 3.95Å; W71-V111 HydrophobicContact CZ2-CG1 3.53Å; A107-V111 WeakPolarHBondContact O-CG2 3.4Å; A107-V111 PolarHBondContact O-N 3.26Å; A107-V111 VanDerWaalsContact O-N 3.07Å; C108-V111 PolarHBondContact O-N 3.31Å; V111-F113 VanDerWaalsContact C-N 3.3Å; V111-F113 PolarHBondContact O-N 3.19Å; V111-V114 PolarHBondContact O-N 3.26Å; V111-V115 HydrophobicContact CG1-CG2 4.4Å; V111-V115 VanDerWaalsContact O-CG2 3.31Å; V111-V115 WeakPolarHBondContact O-CG2 3.41Å; V111-V115 PolarHBondContact O-N 3.48Å; V111-I251 HydrophobicContact CG1-CB 4.35Å; V111-I251 HydrophobicContact CG1-CG1 4.19Å; V111-I251 HydrophobicContact CG1-CG2 3.93Å; V111-L254 HydrophobicContact CB-CD2 4.2Å; V111-L254 HydrophobicContact CG1-CB 4.41Å; V111-L254 HydrophobicContact CG1-CD2 4.06Å; V111-L254 HydrophobicContact CG2-CB 4.18Å; V111-L254 HydrophobicContact CG2-CD2 3.97Å; V111-L254 HydrophobicContact CG2-CG 4.16Å; V111-L255 HydrophobicContact CG2-CB 4.05Å; V111-L255 HydrophobicContact CG2-CD1 4.07Å; V111-L258 HydrophobicContact CG2-CD1 3.77Å |
| 112 | V | 83.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.2 | -40 | 178.8 | 179 | 0 | 0 | 0 | 0 | 110.8 | A69 L72 C108 V114 V115 Y116 M178 C182 | A69-V112 HydrophobicContact CB-CG1 3.97Å; A69-V112 HydrophobicContact CB-CG2 4.41Å; L72-V112 HydrophobicContact CB-CG2 4.18Å; L72-V112 HydrophobicContact CD2-CB 4.11Å; L72-V112 HydrophobicContact CD2-CG1 3.98Å; L72-V112 HydrophobicContact CD2-CG2 4.18Å; C108-V112 WeakPolarHBondContact O-CG2 3.3Å; C108-V112 PolarHBondContact O-N 2.96Å; V112-V114 PolarHBondContact O-N 2.9Å; V112-V115 PolarHBondContact O-N 2.95Å; V112-Y116 HydrophobicContact CG1-CD2 3.69Å; V112-Y116 HydrophobicContact CG1-CE2 3.83Å; V112-Y116 WeakPolarHBondContact O-CD2 3.19Å; V112-Y116 PolarHBondContact O-N 3.3Å; V112-M178 HydrophobicContact CG1-CG 4.26Å; V112-C182 VanDerWaalsContact CG1-SG 3.59Å |
| 113 | F | 88.4 | Confident | 82.3 | Confident | 75 Ų | 75 | 28 Ų | 28 | 33% | 0.329 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -57.7 | -48.6 | 174.3 | 178.6 | -93.1 | 0 | 0 | 0 | 112.2 | C109 Q110 V111 V115 Y116 A117 C179 C182 V183 | C109-F113 WeakPolarHBondContact O-CB 3.28Å; C109-F113 PolarHBondContact O-N 3Å; Q110-F113 PolarHBondContact O-N 3.2Å; V111-F113 VanDerWaalsContact C-N 3.3Å; V111-F113 PolarHBondContact O-N 3.19Å; F113-V115 PolarHBondContact O-N 3.42Å; F113-Y116 PolarHBondContact O-N 3.08Å; F113-A117 HydrophobicContact CE1-CB 4.34Å; F113-A117 WeakPolarHBondContact O-CB 3.47Å; F113-A117 PolarHBondContact O-N 3.38Å; F113-C179 HydrophobicContact CD2-CB 4.04Å; F113-C179 HydrophobicContact CE2-CB 3.98Å; F113-C182 HydrophobicContact CB-CB 3.86Å; F113-C182 HydrophobicContact CD2-CB 4.28Å; F113-V183 HydrophobicContact CD2-CG2 4.25Å; F113-V183 HydrophobicContact CE2-CG2 4.01Å |
| 114 | V | 83.9 | Confident | 81.3 | Confident | 38 Ų | 38 | 30.8 Ų | 30.8 | 23% | 0.23 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.2 | -45 | 179.6 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | Q110 V111 V112 Y116 A117 V118 L254 | Q110-V114 WeakPolarHBondContact O-CG2 3.44Å; Q110-V114 PolarHBondContact O-N 3.48Å; V111-V114 PolarHBondContact O-N 3.26Å; V112-V114 PolarHBondContact O-N 2.9Å; V114-Y116 PolarHBondContact O-N 3.27Å; V114-A117 PolarHBondContact O-N 3.36Å; V114-V118 HydrophobicContact CG1-CG2 4.33Å; V114-V118 WeakPolarHBondContact O-CB 3.48Å; V114-V118 VanDerWaalsContact O-CG2 3.24Å; V114-V118 WeakPolarHBondContact O-CG2 3.45Å; V114-V118 PolarHBondContact O-N 2.95Å; V114-L254 HydrophobicContact CB-CD2 4.19Å; V114-L254 HydrophobicContact CG1-CD2 4.29Å; V114-L254 HydrophobicContact CG2-CD2 4.33Å |
| 115 | V | 78.3 | Confident | 80.3 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.03 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.3 | -49.6 | 179 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | L65 E68 V111 V112 F113 V118 N119 M250 I251 | L65-V115 HydrophobicContact CD2-CG1 3.76Å; E68-V115 HydrophobicContact CB-CG1 4.29Å; V111-V115 HydrophobicContact CG1-CG2 4.4Å; V111-V115 VanDerWaalsContact O-CG2 3.31Å; V111-V115 WeakPolarHBondContact O-CG2 3.41Å; V111-V115 PolarHBondContact O-N 3.48Å; V112-V115 PolarHBondContact O-N 2.95Å; F113-V115 PolarHBondContact O-N 3.42Å; V115-V118 PolarHBondContact O-N 3.46Å; V115-N119 PolarHBondContact O-N 2.93Å; V115-N119 VanDerWaalsContact O-N 3.08Å; V115-N119 PolarHBondContact O-ND2 2.86Å; V115-N119 VanDerWaalsContact O-ND2 3.12Å; V115-M250 HydrophobicContact CG2-CE 4.03Å; V115-I251 HydrophobicContact CG1-CD1 4.46Å; V115-I251 HydrophobicContact CG2-CD1 3.56Å; V115-I251 HydrophobicContact CG2-CG1 3.61Å |
| 116 | Y | 80 | Confident | 78.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -73.9 | -31.6 | -179.3 | -80.8 | -89.3 | 0 | 0 | 0 | 113.2 | L54 A69 V112 F113 V114 N119 L120 C175 M178 | L54-Y116 HydrophobicContact CD1-CE1 3.7Å; L54-Y116 HydrophobicContact CD2-CE1 3.89Å; L54-Y116 HydrophobicContact CG-CE1 4.49Å; A69-Y116 HydrophobicContact CB-CE2 3.95Å; V112-Y116 HydrophobicContact CG1-CD2 3.69Å; V112-Y116 HydrophobicContact CG1-CE2 3.83Å; V112-Y116 WeakPolarHBondContact O-CD2 3.19Å; V112-Y116 PolarHBondContact O-N 3.3Å; F113-Y116 PolarHBondContact O-N 3.08Å; V114-Y116 PolarHBondContact O-N 3.27Å; Y116-N119 PolarHBondContact O-N 3.38Å; Y116-L120 WeakPolarHBondContact O-CB 3.42Å; Y116-L120 PolarHBondContact O-N 3.41Å; Y116-C175 HydrophobicContact CD1-CB 4.09Å; Y116-M178 HydrophobicContact CD1-CB 4.02Å; Y116-M178 HydrophobicContact CD1-CG 4.12Å; Y116-M178 HydrophobicContact CD2-CB 4.46Å; Y116-M178 HydrophobicContact CD2-CG 3.77Å; Y116-M178 HydrophobicContact CE1-CB 4.23Å; Y116-M178 HydrophobicContact CE1-CG 4.12Å; Y116-M178 HydrophobicContact CE2-CE 4.01Å; Y116-M178 HydrophobicContact CE2-CG 3.8Å; Y116-M178 HydrophobicContact CG-CB 4.12Å; Y116-M178 HydrophobicContact CG-CG 3.92Å |
| 117 | A | 82.9 | Confident | 76.6 | Confident | 33 Ų | 33 | 37.3 Ų | 37.3 | 27% | 0.273 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.4 | -41.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F113 V114 N119 L120 H121 | F113-A117 HydrophobicContact CE1-CB 4.34Å; F113-A117 WeakPolarHBondContact O-CB 3.47Å; F113-A117 PolarHBondContact O-N 3.38Å; V114-A117 PolarHBondContact O-N 3.36Å; A117-N119 VanDerWaalsContact C-N 3.35Å; A117-L120 WeakPolarHBondContact O-CB 3.4Å; A117-L120 PolarHBondContact O-N 2.92Å; A117-H121 PolarHBondContact O-N 3.43Å |
| 118 | V | 75.9 | Confident | 74.2 | Confident | 30 Ų | 30 | 39.6 Ų | 39.6 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.8 | -39 | 177.1 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | V114 V115 L120 H121 R122 L239 | V114-V118 HydrophobicContact CG1-CG2 4.33Å; V114-V118 WeakPolarHBondContact O-CB 3.48Å; V114-V118 VanDerWaalsContact O-CG2 3.24Å; V114-V118 WeakPolarHBondContact O-CG2 3.45Å; V114-V118 PolarHBondContact O-N 2.95Å; V115-V118 PolarHBondContact O-N 3.46Å; V118-L120 VanDerWaalsContact C-N 3.35Å; V118-H121 WeakPolarHBondContact O-CB 3.5Å; V118-H121 PolarHBondContact O-N 3.34Å; V118-R122 HydrophobicContact CG1-CG 4.41Å; V118-R122 WeakPolarHBondContact O-CG 3.32Å; V118-R122 PolarHBondContact O-N 3.41Å; V118-L239 HydrophobicContact CB-CD1 4.12Å; V118-L239 HydrophobicContact CG1-CD1 3.83Å; V118-L239 HydrophobicContact CG1-CD2 4.31Å; V118-L239 HydrophobicContact CG1-CG 4.13Å; V118-L239 HydrophobicContact CG2-CD1 3.81Å; V118-L239 HydrophobicContact CG2-CD2 3.71Å; V118-L239 HydrophobicContact CG2-CG 4.24Å |
| 119 | N | 73 | Confident | 71.9 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.6 | -40.2 | 173.5 | -75.8 | -35.1 | 0 | 0 | 0 | 112.6 | L65 V115 Y116 A117 H121 R122 S123 | L65-N119 WeakPolarHBondContact CD1-ND2 3.41Å; L65-N119 WeakPolarHBondContact CD1-OD1 3.29Å; L65-N119 WeakPolarHBondContact CD2-ND2 3.5Å; V115-N119 PolarHBondContact O-N 2.93Å; V115-N119 VanDerWaalsContact O-N 3.08Å; V115-N119 PolarHBondContact O-ND2 2.86Å; V115-N119 VanDerWaalsContact O-ND2 3.12Å; Y116-N119 PolarHBondContact O-N 3.38Å; A117-N119 VanDerWaalsContact C-N 3.35Å; N119-H121 VanDerWaalsContact C-N 3.32Å; N119-H121 PolarHBondContact O-N 3.45Å; N119-R122 PolarHBondContact O-N 3.31Å; N119-S123 WeakPolarHBondContact O-CB 3.45Å; N119-S123 PolarHBondContact O-N 2.87Å; N119-S123 PolarHBondContact O-OG 3.22Å |
| 120 | L | 77.9 | Confident | 69.3 | Low | 47 Ų | 47 | 46 Ų | 46 | 25% | 0.246 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.9 | -50.6 | 173.3 | -165.6 | 80.5 | 0 | 0 | 0 | 109.6 | Y116 A117 V118 R122 S123 V124 V172 C175 V176 | Y116-L120 WeakPolarHBondContact O-CB 3.42Å; Y116-L120 PolarHBondContact O-N 3.41Å; A117-L120 WeakPolarHBondContact O-CB 3.4Å; A117-L120 PolarHBondContact O-N 2.92Å; V118-L120 VanDerWaalsContact C-N 3.35Å; L120-R122 PolarHBondContact O-N 3.09Å; L120-S123 WeakPolarHBondContact CA-OG 3.35Å; L120-S123 PolarHBondContact O-N 2.88Å; L120-S123 PolarHBondContact O-OG 2.86Å; L120-V124 VanDerWaalsContact O-CG2 3.29Å; L120-V124 WeakPolarHBondContact O-CG2 3.4Å; L120-V124 PolarHBondContact O-N 2.89Å; L120-V172 HydrophobicContact CD1-CB 4.48Å; L120-V172 HydrophobicContact CD1-CG1 3.77Å; L120-C175 HydrophobicContact CD1-CB 4.07Å; L120-V176 HydrophobicContact CD1-CG2 3.75Å; L120-V176 HydrophobicContact CD2-CG2 4.25Å |
| 121 | H | 76.9 | Confident | 66.6 | Low | 112 Ų | 112 | 52.2 Ų | 52.2 | 52% | 0.519 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.1 | -49.6 | 176.6 | -179.7 | -84.7 | 0 | 0 | 0 | 112.2 | A117 V118 N119 S123 V124 H125 | A117-H121 PolarHBondContact O-N 3.43Å; V118-H121 WeakPolarHBondContact O-CB 3.5Å; V118-H121 PolarHBondContact O-N 3.34Å; N119-H121 VanDerWaalsContact C-N 3.32Å; N119-H121 PolarHBondContact O-N 3.45Å; H121-S123 VanDerWaalsContact C-N 3.33Å; H121-S123 PolarHBondContact O-N 2.97Å; H121-V124 PolarHBondContact O-N 2.82Å; H121-H125 AromaticContact CD2-CD2 3.56Å; H121-H125 AromaticContact CD2-NE2 3.71Å; H121-H125 AromaticContact CE1-CD2 3.26Å; H121-H125 PolarHBondContact CE1-CD2 3.3Å; H121-H125 AromaticContact CE1-NE2 3.7Å; H121-H125 AromaticContact CG-CD2 3.77Å; H121-H125 AromaticContact ND1-CD2 3.59Å; H121-H125 AromaticContact NE2-CD2 3.25Å; H121-H125 PolarHBondContact NE2-CD2 2.91Å; H121-H125 VanDerWaalsContact NE2-CD2 3.25Å; H121-H125 AromaticContact NE2-NE2 3.25Å; H121-H125 PolarHBondContact NE2-NE2 3.41Å; H121-H125 WeakPolarHBondContact O-CB 3.42Å; H121-H125 PolarHBondContact O-CD2 3.36Å; H121-H125 VanDerWaalsContact O-CD2 3.3Å; H121-H125 PolarHBondContact O-N 2.72Å |
| 122 | R | 70.5 | Confident | 64.1 | Low | 66 Ų | 66 | 59.4 Ų | 59.4 | 25% | 0.249 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 177.8 | -73.7 | 177.8 | 176.2 | -178.6 | -3.5 | 112.1 | V118 N119 L120 V124 H125 A126 L239 L241 H247 | V118-R122 HydrophobicContact CG1-CG 4.41Å; V118-R122 WeakPolarHBondContact O-CG 3.32Å; V118-R122 PolarHBondContact O-N 3.41Å; N119-R122 PolarHBondContact O-N 3.31Å; L120-R122 PolarHBondContact O-N 3.09Å; R122-V124 VanDerWaalsContact C-N 3.34Å; R122-V124 PolarHBondContact O-N 3.13Å; R122-H125 PolarHBondContact O-N 2.98Å; R122-A126 VanDerWaalsContact O-CB 3.25Å; R122-A126 WeakPolarHBondContact O-CB 3.46Å; R122-A126 PolarHBondContact O-N 3.34Å; R122-L239 PolarHBondContact NH2-O 3.3Å; R122-L241 PolarHBondContact NH2-O 3.43Å; R122-H247 PolarHBondContact NH1-CE1 2.95Å; R122-H247 PolarHBondContact NH1-NE2 3.44Å; R122-H247 PolarHBondContact NH2-NE2 2.98Å |
| 123 | S | 67.6 | Low | 61.7 | Low | 20 Ų | 20 | 67.3 Ų | 67.3 | 14% | 0.14 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.2 | -34.1 | 179 | 67.5 | 0 | 0 | 0 | 0 | 112.8 | N119 L120 H121 T127 | N119-S123 WeakPolarHBondContact O-CB 3.45Å; N119-S123 PolarHBondContact O-N 2.87Å; N119-S123 PolarHBondContact O-OG 3.22Å; L120-S123 WeakPolarHBondContact CA-OG 3.35Å; L120-S123 PolarHBondContact O-N 2.88Å; L120-S123 PolarHBondContact O-OG 2.86Å; H121-S123 VanDerWaalsContact C-N 3.33Å; H121-S123 PolarHBondContact O-N 2.97Å; S123-T127 PolarHBondContact O-OG1 3.1Å |
| 124 | V | 67.8 | Low | 59.1 | Low | 78 Ų | 78 | 65.6 Ų | 65.6 | 47% | 0.473 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -78.4 | -33.1 | 176.7 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | L120 H121 R122 T127 | L120-V124 VanDerWaalsContact O-CG2 3.29Å; L120-V124 WeakPolarHBondContact O-CG2 3.4Å; L120-V124 PolarHBondContact O-N 2.89Å; H121-V124 PolarHBondContact O-N 2.82Å; R122-V124 VanDerWaalsContact C-N 3.34Å; R122-V124 PolarHBondContact O-N 3.13Å; V124-T127 WeakPolarHBondContact CA-OG1 3.28Å; V124-T127 PolarHBondContact O-OG1 3.32Å |
| 125 | H | 64.2 | Low | 56.5 | Low | 107 Ų | 107 | 67.6 Ų | 67.6 | 50% | 0.495 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -82.6 | -28.1 | 176.9 | -81.1 | -77.8 | 0 | 0 | 0 | 113.6 | H121 R122 T127 A128 | H121-H125 AromaticContact CD2-CD2 3.56Å; H121-H125 AromaticContact CD2-NE2 3.71Å; H121-H125 AromaticContact CE1-CD2 3.26Å; H121-H125 PolarHBondContact CE1-CD2 3.3Å; H121-H125 AromaticContact CE1-NE2 3.7Å; H121-H125 AromaticContact CG-CD2 3.77Å; H121-H125 AromaticContact ND1-CD2 3.59Å; H121-H125 AromaticContact NE2-CD2 3.25Å; H121-H125 PolarHBondContact NE2-CD2 2.91Å; H121-H125 VanDerWaalsContact NE2-CD2 3.25Å; H121-H125 AromaticContact NE2-NE2 3.25Å; H121-H125 PolarHBondContact NE2-NE2 3.41Å; H121-H125 WeakPolarHBondContact O-CB 3.42Å; H121-H125 PolarHBondContact O-CD2 3.36Å; H121-H125 VanDerWaalsContact O-CD2 3.3Å; H121-H125 PolarHBondContact O-N 2.72Å; R122-H125 PolarHBondContact O-N 2.98Å; H125-T127 PolarHBondContact O-N 3.36Å; H125-A128 WeakPolarHBondContact O-CB 3.42Å; H125-A128 PolarHBondContact O-N 3.02Å |
| 126 | A | 55.7 | Low | 54.4 | Low | 53 Ų | 53 | 72.8 Ų | 72.8 | 44% | 0.438 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.4 | -25.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R122 | R122-A126 VanDerWaalsContact O-CB 3.25Å; R122-A126 WeakPolarHBondContact O-CB 3.46Å; R122-A126 PolarHBondContact O-N 3.34Å |
| 127 | T | 44.9 | Very low | 52.2 | Low | 56 Ų | 56 | 76.2 Ų | 76.2 | 34% | 0.344 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -72.7 | -26.3 | 171.1 | 23.8 | 0 | 0 | 0 | 0 | 114 | S123 V124 H125 Y131 | S123-T127 PolarHBondContact O-OG1 3.1Å; V124-T127 WeakPolarHBondContact CA-OG1 3.28Å; V124-T127 PolarHBondContact O-OG1 3.32Å; H125-T127 PolarHBondContact O-N 3.36Å; T127-Y131 WeakPolarHBondContact O-CD2 3.44Å; T127-Y131 PolarHBondContact O-N 3.36Å |
| 128 | A | 38 | Very low | 50.2 | Low | 49 Ų | 49 | 79.1 Ų | 79.1 | 41% | 0.405 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.9 | -40.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | H125 L130 Y131 E132 | H125-A128 WeakPolarHBondContact O-CB 3.42Å; H125-A128 PolarHBondContact O-N 3.02Å; A128-L130 VanDerWaalsContact C-N 3.29Å; A128-L130 PolarHBondContact O-N 2.73Å; A128-Y131 PolarHBondContact O-N 2.88Å; A128-E132 PolarHBondContact O-N 3.03Å; A128-E132 VanDerWaalsContact O-N 3.11Å |
| 129 | G | 37 | Very low | 48.2 | Very low | 40 Ų | 40 | 85.1 Ų | 85.1 | 41% | 0.412 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.9 | -24 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q133 | G129-Q133 PolarHBondContact O-N 3.1Å |
| 130 | L | 34.3 | Very low | 46.3 | Very low | 98 Ų | 98 | 90.5 Ų | 90.5 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -80.4 | -27.5 | 173.6 | -91.8 | 155 | 0 | 0 | 0 | 112.7 | A128 A134 | A128-L130 VanDerWaalsContact C-N 3.29Å; A128-L130 PolarHBondContact O-N 2.73Å; L130-A134 PolarHBondContact O-N 3.17Å |
| 131 | Y | 33 | Very low | 44.4 | Very low | 186 Ų | 186 | 95.3 Ų | 95.3 | 73% | 0.729 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -76.4 | -33.2 | 172.8 | -90.9 | -83.8 | 0 | 0 | 0 | 112 | T127 A128 A134 S135 | T127-Y131 WeakPolarHBondContact O-CD2 3.44Å; T127-Y131 PolarHBondContact O-N 3.36Å; A128-Y131 PolarHBondContact O-N 2.88Å; Y131-A134 PolarHBondContact O-N 2.86Å; Y131-S135 PolarHBondContact O-OG 3.44Å |
| 132 | E | 32.3 | Very low | 42.4 | Very low | 151 Ų | 151 | 97.1 Ų | 97.1 | 71% | 0.706 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.4 | -30.3 | 174.7 | -80.3 | -177.7 | 154.8 | 0 | 0 | 113.6 | A128 A134 S135 | A128-E132 PolarHBondContact O-N 3.03Å; A128-E132 VanDerWaalsContact O-N 3.11Å; E132-A134 VanDerWaalsContact C-N 3.31Å; E132-S135 PolarHBondContact O-OG 3.21Å |
| 133 | Q | 32.8 | Very low | 40.7 | Very low | 166 Ų | 166 | 99.4 Ų | 99.4 | 78% | 0.776 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -10.5 | 172.2 | -75.5 | -173.2 | -17 | 0 | 0 | 113.9 | G129 | G129-Q133 PolarHBondContact O-N 3.1Š|
| 134 | A | 33.8 | Very low | 39.2 | Very low | 38 Ų | 38 | 103.9 Ų | 103.9 | 31% | 0.314 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.6 | -5.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L130 Y131 E132 V138 | L130-A134 PolarHBondContact O-N 3.17Å; Y131-A134 PolarHBondContact O-N 2.86Å; E132-A134 VanDerWaalsContact C-N 3.31Å; A134-V138 WeakPolarHBondContact O-CG2 3.49Å |
| 135 | S | 29.1 | Very low | 37.6 | Very low | 81 Ų | 81 | 107.1 Ų | 107.1 | 57% | 0.566 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | 77.4 | 175 | 51.1 | 0 | 0 | 0 | 0 | 110.1 | Y131 E132 | Y131-S135 PolarHBondContact O-OG 3.44Å; E132-S135 PolarHBondContact O-OG 3.21Å |
| 136 | P | 34.2 | Very low | 36.2 | Very low | 113 Ų | 113 | 106 Ų | 106 | 73% | 0.734 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | -142.1 | 23.6 | 93 | 36 | -18.4 | 0 | 0 | 0 | 114.3 | |||
| 137 | S | 35.1 | Very low | 35.4 | Very low | 73 Ų | 73 | 108.9 Ų | 108.9 | 51% | 0.51 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.8 | -5.9 | 179.7 | 55.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 138 | V | 40.2 | Very low | 35.1 | Very low | 94 Ų | 94 | 112.8 Ų | 112.8 | 57% | 0.57 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -82 | -22.8 | 178.5 | 177.3 | 0 | 0 | 0 | 0 | 113 | A134 N140 F141 | A134-V138 WeakPolarHBondContact O-CG2 3.49Å; V138-N140 VanDerWaalsContact C-N 3.3Å; V138-N140 PolarHBondContact O-N 3.44Å; V138-F141 PolarHBondContact O-N 2.62Å |
| 139 | Q | 34.7 | Very low | 35 | Very low | 155 Ų | 155 | 115.8 Ų | 115.8 | 72% | 0.724 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.7 | -20.2 | 172.7 | -84.9 | -177.5 | -25.4 | 0 | 0 | 113.8 | ||
| 140 | N | 33.2 | Very low | 34.7 | Very low | 117 Ų | 117 | 122.1 Ų | 122.1 | 63% | 0.626 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -88.4 | -9.7 | 175.2 | -79.2 | -12.9 | 0 | 0 | 0 | 113.6 | V138 | V138-N140 VanDerWaalsContact C-N 3.3Å; V138-N140 PolarHBondContact O-N 3.44Å |
| 141 | F | 36.1 | Very low | 34.5 | Very low | 149 Ų | 149 | 120.6 Ų | 120.6 | 65% | 0.654 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -90.8 | -27.6 | 176.8 | -140.1 | -93.1 | 0 | 0 | 0 | 112.5 | V138 F145 | V138-F141 PolarHBondContact O-N 2.62Å; F141-F145 HydrophobicContact CD1-CD2 4.46Å; F141-F145 HydrophobicContact CE1-CD2 4.29Å; F141-F145 HydrophobicContact CE1-CE2 4.31Å |
| 142 | E | 35.7 | Very low | 34.4 | Very low | 149 Ų | 149 | 119.9 Ų | 119.9 | 70% | 0.696 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.1 | -31.4 | 174.5 | -108.7 | 176.9 | 164.8 | 0 | 0 | 113 | N144 F145 | E142-N144 VanDerWaalsContact C-N 3.34Å; E142-N144 PolarHBondContact O-N 3.3Å; E142-F145 PolarHBondContact O-N 3.21Å |
| 143 | N | 34.8 | Very low | 34.4 | Very low | 115 Ų | 115 | 118.6 Ų | 118.6 | 62% | 0.615 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -15.9 | 178.6 | -78.2 | -20.3 | 0 | 0 | 0 | 114.5 | S146 | N143-S146 PolarHBondContact O-OG 3.1Š|
| 144 | N | 35.7 | Very low | 34.3 | Very low | 113 Ų | 113 | 116.7 Ų | 116.7 | 60% | 0.604 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -4.9 | 175.2 | -76.9 | -18 | 0 | 0 | 0 | 113.4 | E142 | E142-N144 VanDerWaalsContact C-N 3.34Å; E142-N144 PolarHBondContact O-N 3.3Å |
| 145 | F | 34.4 | Very low | 34.1 | Very low | 146 Ų | 146 | 120.4 Ų | 120.4 | 64% | 0.64 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -17 | 176.6 | -124.8 | -89.1 | 0 | 0 | 0 | 113.4 | F141 E142 T147 | F141-F145 HydrophobicContact CD1-CD2 4.46Å; F141-F145 HydrophobicContact CE1-CD2 4.29Å; F141-F145 HydrophobicContact CE1-CE2 4.31Å; E142-F145 PolarHBondContact O-N 3.21Å; F145-T147 VanDerWaalsContact C-N 3.29Å; F145-T147 PolarHBondContact O-N 3.03Å |
| 146 | S | 35.5 | Very low | 34.2 | Very low | 83 Ų | 83 | 122.6 Ų | 122.6 | 58% | 0.58 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -6 | 176.4 | 58.7 | 0 | 0 | 0 | 0 | 114.2 | N143 | N143-S146 PolarHBondContact O-OG 3.1Š|
| 147 | T | 39.6 | Very low | 34 | Very low | 114 Ų | 114 | 124 Ų | 124 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | 2.4 | 177.6 | 33.4 | 0 | 0 | 0 | 0 | 114.2 | F145 | F145-T147 VanDerWaalsContact C-N 3.29Å; F145-T147 PolarHBondContact O-N 3.03Å |
| 148 | L | 37.7 | Very low | 33.9 | Very low | 138 Ų | 138 | 125.8 Ų | 125.8 | 72% | 0.723 | 71% | 0.709 | S | S | * | * | trans | -117 | 13.8 | -178.2 | -105.2 | 141 | 0 | 0 | 0 | 114.4 | N150 | L148-N150 VanDerWaalsContact C-N 3.29Å; L148-N150 PolarHBondContact O-N 3.05Å | ||
| 149 | T | 35.2 | Very low | 33.8 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 69% | 0.687 | 72% | 0.72 | S | S | * | * | trans | -89.3 | 44.7 | 174.5 | 23.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 150 | N | 31.7 | Very low | 34.1 | Very low | 174 Ų | 174 | 126.3 Ų | 126.3 | 93% | 0.93 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -149.7 | 62.5 | 167.3 | -87.4 | -28.5 | 0 | 0 | 0 | 110.1 | L148 | L148-N150 VanDerWaalsContact C-N 3.29Å; L148-N150 PolarHBondContact O-N 3.05Å |
| 151 | G | 29.2 | Very low | 34.8 | Very low | 66 Ų | 66 | 125.1 Ų | 125.1 | 68% | 0.68 | 72% | 0.721 | S | S | * | * | trans | -169.2 | 87.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | V153 | G151-V153 PolarHBondContact O-N 3.39Š| ||
| 152 | L | 31.7 | Very low | 35.5 | Very low | 170 Ų | 170 | 123.3 Ų | 123.3 | 89% | 0.89 | 72% | 0.718 | S | S | * | * | trans | -43.3 | 113.9 | 173.9 | -171.1 | 87.3 | 0 | 0 | 0 | 113.5 | ||||
| 153 | V | 31.4 | Very low | 36.2 | Very low | 124 Ų | 124 | 117.8 Ų | 117.8 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | trans | -143.6 | 110.6 | 151.9 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | G151 T155 | G151-V153 PolarHBondContact O-N 3.39Å; V153-T155 PolarHBondContact O-N 3.4Å | ||
| 154 | T | 30.6 | Very low | 37.2 | Very low | 126 Ų | 126 | 116.9 Ų | 116.9 | 77% | 0.773 | 69% | 0.689 | S | S | * | * | trans | -51.9 | 114.6 | 156.6 | 3.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 155 | T | 31 | Very low | 38.4 | Very low | 117 Ų | 117 | 115.6 Ų | 115.6 | 72% | 0.718 | 69% | 0.685 | S | S | * | * | trans | -174.1 | 122.9 | 142.8 | 23.5 | 0 | 0 | 0 | 0 | 111.1 | V153 T157 | V153-T155 PolarHBondContact O-N 3.4Å; T155-T157 PolarHBondContact O-N 3.03Å | ||
| 156 | T | 29.7 | Very low | 39.7 | Very low | 126 Ų | 126 | 111.8 Ų | 111.8 | 77% | 0.773 | 67% | 0.67 | S | S | * | * | trans | 1.3 | 101.6 | 156.9 | 47 | 0 | 0 | 0 | 0 | 117.9 | T158 | T156-T158 PolarHBondContact O-N 2.91Š| ||
| 157 | T | 30.9 | Very low | 40.9 | Very low | 142 Ų | 142 | 109.9 Ų | 109.9 | 87% | 0.871 | 66% | 0.659 | S | S | * | * | trans | -73.1 | 87 | 163.3 | 38.5 | 0 | 0 | 0 | 0 | 110.4 | T155 | T155-T157 PolarHBondContact O-N 3.03Š| ||
| 158 | T | 33.8 | Very low | 42.1 | Very low | 112 Ų | 112 | 110.3 Ų | 110.3 | 69% | 0.687 | 65% | 0.648 | S | S | * | * | trans | -83.6 | 113.4 | 153.7 | 38.9 | 0 | 0 | 0 | 0 | 107.3 | T156 T160 | T156-T158 PolarHBondContact O-N 2.91Å; T158-T160 VanDerWaalsContact C-N 3.35Å; T158-T160 PolarHBondContact O-N 3.47Å | ||
| 159 | T | 37.7 | Very low | 43.6 | Very low | 131 Ų | 131 | 108 Ų | 108 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | trans | -65.3 | 92 | 172.5 | 35.9 | 0 | 0 | 0 | 0 | 109.3 | T161 | T159-T161 VanDerWaalsContact C-N 3.34Å; T159-T161 PolarHBondContact O-N 2.94Å | ||
| 160 | T | 40.5 | Very low | 45.3 | Very low | 129 Ų | 129 | 106.5 Ų | 106.5 | 79% | 0.791 | 62% | 0.618 | S | S | * | * | trans | -70.8 | 89.8 | 172.9 | 44.3 | 0 | 0 | 0 | 0 | 109.3 | T158 N162 | T158-T160 VanDerWaalsContact C-N 3.35Å; T158-T160 PolarHBondContact O-N 3.47Å; T160-N162 PolarHBondContact O-N 3.29Å | ||
| 161 | T | 47.8 | Very low | 47.3 | Very low | 92 Ų | 92 | 99 Ų | 99 | 56% | 0.564 | 58% | 0.577 | S | S | * | * | trans | -58.4 | 124.7 | 168.4 | 48.9 | 0 | 0 | 0 | 0 | 109.3 | T159 | T159-T161 VanDerWaalsContact C-N 3.34Å; T159-T161 PolarHBondContact O-N 2.94Å | ||
| 162 | N | 51.9 | Low | 49.6 | Very low | 110 Ų | 110 | 97.8 Ų | 97.8 | 59% | 0.588 | 56% | 0.556 | S | S | * | * | trans | -47.7 | 122.5 | -177.8 | -156.5 | -16.5 | 0 | 0 | 0 | 110.5 | T160 L164 V165 Q166 | T160-N162 PolarHBondContact O-N 3.29Å; N162-L164 PolarHBondContact O-N 3.07Å; N162-V165 HydrophobicContact CB-CG2 4.06Å; N162-V165 WeakPolarHBondContact O-CA 3.22Å; N162-V165 WeakPolarHBondContact O-CB 3.45Å; N162-V165 PolarHBondContact O-N 3.26Å; N162-Q166 PolarHBondContact O-N 2.91Å | ||
| 163 | P | 50.4 | Low | 52.1 | Low | 33 Ų | 33 | 95.4 Ų | 95.4 | 21% | 0.214 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -55.8 | -29.3 | -169.4 | 17.3 | -32.5 | 0 | 0 | 0 | 114 | Q166 A167 Y649 | P163-Q166 PolarHBondContact O-N 3.38Å; P163-A167 PolarHBondContact O-N 3.48Å; P163-Y649 HydrophobicContact CB-CE2 4.11Å; P163-Y649 HydrophobicContact CG-CE2 4.15Å |
| 164 | L | 54.9 | Low | 54.4 | Low | 97 Ų | 97 | 90.8 Ų | 90.8 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68 | -33.8 | 176.8 | -136.9 | 146.8 | 0 | 0 | 0 | 112.6 | N162 R168 | N162-L164 PolarHBondContact O-N 3.07Å; L164-R168 WeakPolarHBondContact O-CG 3.47Å; L164-R168 PolarHBondContact O-N 2.93Å |
| 165 | V | 61 | Low | 56.9 | Low | 85 Ų | 85 | 84.8 Ų | 84.8 | 52% | 0.515 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.2 | -39.2 | 173.6 | 177.9 | 0 | 0 | 0 | 0 | 110 | N162 R168 L169 | N162-V165 HydrophobicContact CB-CG2 4.06Å; N162-V165 WeakPolarHBondContact O-CA 3.22Å; N162-V165 WeakPolarHBondContact O-CB 3.45Å; N162-V165 PolarHBondContact O-N 3.26Å; V165-R168 PolarHBondContact O-N 2.99Å; V165-L169 WeakPolarHBondContact O-CB 3.35Å; V165-L169 PolarHBondContact O-N 2.86Å |
| 166 | Q | 62.7 | Low | 59.6 | Low | 67 Ų | 67 | 82 Ų | 82 | 31% | 0.313 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.6 | -49.6 | 178.5 | -157.9 | 177.5 | 10.5 | 0 | 0 | 111 | N162 P163 R168 L169 Y170 R646 | N162-Q166 PolarHBondContact O-N 2.91Å; P163-Q166 PolarHBondContact O-N 3.38Å; Q166-R168 VanDerWaalsContact C-N 3.32Å; Q166-R168 PolarHBondContact O-N 3.43Å; Q166-L169 WeakPolarHBondContact O-CB 3.37Å; Q166-L169 PolarHBondContact O-N 3.34Å; Q166-L169 VanDerWaalsContact O-N 3.08Å; Q166-Y170 HydrophobicContact CG-CD2 4.12Å; Q166-Y170 HydrophobicContact CG-CE2 3.85Å; Q166-Y170 VanDerWaalsContact O-CD2 3.26Å; Q166-Y170 WeakPolarHBondContact O-CD2 3.42Å; Q166-Y170 PolarHBondContact O-N 2.99Å; Q166-R646 VanDerWaalsContact NE2-NH2 3.17Å |
| 167 | A | 59.6 | Low | 62.4 | Low | 43 Ų | 43 | 77.4 Ų | 77.4 | 36% | 0.355 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -56.6 | -43.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V57 P163 L169 Y170 Y171 | V57-A167 HydrophobicContact CG1-CB 4.47Å; V57-A167 WeakPolarHBondContact CG1-O 3.27Å; P163-A167 PolarHBondContact O-N 3.48Å; A167-L169 PolarHBondContact O-N 2.9Å; A167-Y170 PolarHBondContact O-N 2.95Å; A167-Y171 PolarHBondContact O-N 3.45Å |
| 168 | R | 64.9 | Low | 65 | Low | 122 Ų | 122 | 70.7 Ų | 70.7 | 46% | 0.46 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 174.5 | -74.8 | 178.8 | -178 | -175.4 | 2.3 | 112.5 | L164 V165 Q166 Y170 Y171 V172 | L164-R168 WeakPolarHBondContact O-CG 3.47Å; L164-R168 PolarHBondContact O-N 2.93Å; V165-R168 PolarHBondContact O-N 2.99Å; Q166-R168 VanDerWaalsContact C-N 3.32Å; Q166-R168 PolarHBondContact O-N 3.43Å; R168-Y170 VanDerWaalsContact C-N 3.31Å; R168-Y170 PolarHBondContact O-N 2.91Å; R168-Y171 WeakPolarHBondContact O-CB 3.18Å; R168-Y171 PolarHBondContact O-N 3.44Å; R168-V172 WeakPolarHBondContact O-CG2 3.41Å; R168-V172 PolarHBondContact O-N 3.14Å |
| 169 | L | 70 | Confident | 67.7 | Low | 91 Ų | 91 | 66.1 Ų | 66.1 | 48% | 0.476 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 177.9 | -157.6 | 102.8 | 0 | 0 | 0 | 112 | V165 Q166 A167 K173 | V165-L169 WeakPolarHBondContact O-CB 3.35Å; V165-L169 PolarHBondContact O-N 2.86Å; Q166-L169 WeakPolarHBondContact O-CB 3.37Å; Q166-L169 PolarHBondContact O-N 3.34Å; Q166-L169 VanDerWaalsContact O-N 3.08Å; A167-L169 PolarHBondContact O-N 2.9Å; L169-K173 WeakPolarHBondContact O-CG 3.18Å; L169-K173 PolarHBondContact O-N 3.33Å |
| 170 | Y | 70.4 | Confident | 70.3 | Confident | 80 Ų | 80 | 64.2 Ų | 64.2 | 31% | 0.314 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.2 | -42.4 | 173.7 | -84.8 | -86.1 | 0 | 0 | 0 | 112.2 | Q166 A167 R168 V172 K173 L174 R646 | Q166-Y170 HydrophobicContact CG-CD2 4.12Å; Q166-Y170 HydrophobicContact CG-CE2 3.85Å; Q166-Y170 VanDerWaalsContact O-CD2 3.26Å; Q166-Y170 WeakPolarHBondContact O-CD2 3.42Å; Q166-Y170 PolarHBondContact O-N 2.99Å; A167-Y170 PolarHBondContact O-N 2.95Å; R168-Y170 VanDerWaalsContact C-N 3.31Å; R168-Y170 PolarHBondContact O-N 2.91Å; Y170-V172 VanDerWaalsContact C-N 3.34Å; Y170-V172 PolarHBondContact O-N 3.39Å; Y170-K173 PolarHBondContact O-N 3.21Å; Y170-L174 WeakPolarHBondContact O-CB 3.3Å; Y170-L174 VanDerWaalsContact O-CG 3.29Å; Y170-L174 WeakPolarHBondContact O-CG 3.46Å; Y170-L174 PolarHBondContact O-N 3.43Å; Y170-R646 VanDerWaalsContact CE2-CZ 3.4Å; Y170-R646 VanDerWaalsContact CZ-NH1 3.3Å; Y170-R646 PolarHBondContact OH-NH2 2.85Å |
| 171 | Y | 73.2 | Confident | 72.7 | Confident | 15 Ų | 15 | 58.1 Ų | 58.1 | 6% | 0.059 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.1 | -46 | 174.3 | 177.3 | -101.8 | 0 | 0 | 0 | 111.9 | L54 T58 A167 R168 K173 L174 C175 | L54-Y171 HydrophobicContact CD2-CD2 4.17Å; L54-Y171 HydrophobicContact CD2-CE2 3.72Å; T58-Y171 HydrophobicContact CG2-CD2 3.87Å; T58-Y171 HydrophobicContact CG2-CE2 3.51Å; A167-Y171 PolarHBondContact O-N 3.45Å; R168-Y171 WeakPolarHBondContact O-CB 3.18Å; R168-Y171 PolarHBondContact O-N 3.44Å; Y171-K173 PolarHBondContact O-N 3.41Å; Y171-L174 PolarHBondContact O-N 3.46Å; Y171-C175 VanDerWaalsContact CE1-SG 3.59Å; Y171-C175 PolarHBondContact O-N 2.96Å; Y171-C175 PolarHBondContact O-SG 3.43Å |
| 172 | V | 78.1 | Confident | 74.7 | Confident | 42 Ų | 42 | 53.7 Ų | 53.7 | 26% | 0.255 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.4 | -47.8 | 176 | 169.6 | 0 | 0 | 0 | 0 | 111 | L120 R168 Y170 L174 C175 V176 | L120-V172 HydrophobicContact CD1-CB 4.48Å; L120-V172 HydrophobicContact CD1-CG1 3.77Å; R168-V172 WeakPolarHBondContact O-CG2 3.41Å; R168-V172 PolarHBondContact O-N 3.14Å; Y170-V172 VanDerWaalsContact C-N 3.34Å; Y170-V172 PolarHBondContact O-N 3.39Å; V172-L174 VanDerWaalsContact C-N 3.31Å; V172-L174 PolarHBondContact O-N 2.89Å; V172-C175 PolarHBondContact O-N 3.13Å; V172-V176 WeakPolarHBondContact O-CG2 3.4Å; V172-V176 PolarHBondContact O-N 3.39Å |
| 173 | K | 82.8 | Confident | 76.8 | Confident | 119 Ų | 119 | 51.5 Ų | 51.5 | 52% | 0.517 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.8 | -41.6 | 177.3 | -75.6 | 176.1 | 179.2 | -178.2 | 0 | 112.4 | L169 Y170 Y171 V176 A177 | L169-K173 WeakPolarHBondContact O-CG 3.18Å; L169-K173 PolarHBondContact O-N 3.33Å; Y170-K173 PolarHBondContact O-N 3.21Å; Y171-K173 PolarHBondContact O-N 3.41Å; K173-V176 PolarHBondContact O-N 3.1Å; K173-A177 PolarHBondContact O-N 3.06Å |
| 174 | L | 81.7 | Confident | 78.9 | Confident | 27 Ų | 27 | 52.7 Ų | 52.7 | 14% | 0.141 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.6 | -36.9 | 179.1 | -70 | 168.4 | 0 | 0 | 0 | 112 | S53 L54 V57 Y170 Y171 V172 V176 A177 M178 | S53-L174 WeakPolarHBondContact O-CD1 3.25Å; L54-L174 HydrophobicContact CD1-CB 3.77Å; L54-L174 HydrophobicContact CG-CB 3.88Å; V57-L174 HydrophobicContact CB-CD1 4.47Å; V57-L174 HydrophobicContact CG2-CD1 3.94Å; Y170-L174 WeakPolarHBondContact O-CB 3.3Å; Y170-L174 VanDerWaalsContact O-CG 3.29Å; Y170-L174 WeakPolarHBondContact O-CG 3.46Å; Y170-L174 PolarHBondContact O-N 3.43Å; Y171-L174 PolarHBondContact O-N 3.46Å; V172-L174 VanDerWaalsContact C-N 3.31Å; V172-L174 PolarHBondContact O-N 2.89Å; L174-V176 VanDerWaalsContact C-N 3.35Å; L174-A177 WeakPolarHBondContact O-CB 3.24Å; L174-A177 PolarHBondContact O-N 3.39Å; L174-M178 PolarHBondContact O-N 2.95Å |
| 175 | C | 81.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 170.8 | -67.9 | 0 | 0 | 0 | 0 | 111.6 | Y116 L120 Y171 V172 M178 C179 | Y116-C175 HydrophobicContact CD1-CB 4.09Å; L120-C175 HydrophobicContact CD1-CB 4.07Å; Y171-C175 VanDerWaalsContact CE1-SG 3.59Å; Y171-C175 PolarHBondContact O-N 2.96Å; Y171-C175 PolarHBondContact O-SG 3.43Å; V172-C175 PolarHBondContact O-N 3.13Å; C175-M178 WeakPolarHBondContact O-CB 3.4Å; C175-M178 PolarHBondContact O-N 3.29Å; C175-C179 PolarHBondContact O-N 2.91Å; C175-C179 PolarHBondContact O-SG 3.48Å; C175-C179 VanDerWaalsContact O-SG 3.4Å |
| 176 | V | 87.4 | Confident | 82.2 | Confident | 60 Ų | 60 | 45.7 Ų | 45.7 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 174.6 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | L120 V172 K173 L174 M178 C179 I180 | L120-V176 HydrophobicContact CD1-CG2 3.75Å; L120-V176 HydrophobicContact CD2-CG2 4.25Å; V172-V176 WeakPolarHBondContact O-CG2 3.4Å; V172-V176 PolarHBondContact O-N 3.39Å; K173-V176 PolarHBondContact O-N 3.1Å; L174-V176 VanDerWaalsContact C-N 3.35Å; V176-M178 VanDerWaalsContact C-N 3.27Å; V176-M178 PolarHBondContact O-N 3.36Å; V176-C179 WeakPolarHBondContact O-CB 3.19Å; V176-C179 PolarHBondContact O-N 2.77Å; V176-C179 VanDerWaalsContact O-N 3.14Å; V176-I180 HydrophobicContact CG1-CD1 4.09Å; V176-I180 WeakPolarHBondContact O-CG1 3.44Å; V176-I180 PolarHBondContact O-N 3.49Å |
| 177 | A | 88.1 | Confident | 83.7 | Confident | 29 Ų | 29 | 46.5 Ų | 46.5 | 24% | 0.24 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.8 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V50 K173 L174 I180 V181 | V50-A177 HydrophobicContact CG1-CB 4.1Å; V50-A177 HydrophobicContact CG2-CB 4.06Å; K173-A177 PolarHBondContact O-N 3.06Å; L174-A177 WeakPolarHBondContact O-CB 3.24Å; L174-A177 PolarHBondContact O-N 3.39Å; A177-I180 PolarHBondContact O-N 2.89Å; A177-V181 WeakPolarHBondContact O-CG2 3.18Å; A177-V181 PolarHBondContact O-N 2.93Å |
| 178 | M | 86.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.1 | -40.5 | 175.1 | -164.6 | 64.2 | 122.8 | 0 | 0 | 112.5 | W47 V50 T51 A69 V112 Y116 L174 C175 V176 I180 V181 C182 | W47-M178 HydrophobicContact CG-CE 4.47Å; W47-M178 HydrophobicContact CG-SD 4.32Å; W47-M178 HydrophobicContact CZ2-CE 4.21Å; W47-M178 PolarHBondContact NE1-SD 2.86Å; V50-M178 HydrophobicContact CG1-CB 4.28Å; V50-M178 HydrophobicContact CG1-SD 4.32Å; T51-M178 WeakPolarHBondContact OG1-CE 3.42Å; A69-M178 HydrophobicContact CB-CE 3.5Å; A69-M178 VanDerWaalsContact CB-CE 3.5Å; V112-M178 HydrophobicContact CG1-CG 4.26Å; Y116-M178 HydrophobicContact CD1-CB 4.02Å; Y116-M178 HydrophobicContact CD1-CG 4.12Å; Y116-M178 HydrophobicContact CD2-CB 4.46Å; Y116-M178 HydrophobicContact CD2-CG 3.77Å; Y116-M178 HydrophobicContact CE1-CB 4.23Å; Y116-M178 HydrophobicContact CE1-CG 4.12Å; Y116-M178 HydrophobicContact CE2-CE 4.01Å; Y116-M178 HydrophobicContact CE2-CG 3.8Å; Y116-M178 HydrophobicContact CG-CB 4.12Å; Y116-M178 HydrophobicContact CG-CG 3.92Å; L174-M178 PolarHBondContact O-N 2.95Å; C175-M178 WeakPolarHBondContact O-CB 3.4Å; C175-M178 PolarHBondContact O-N 3.29Å; V176-M178 VanDerWaalsContact C-N 3.27Å; V176-M178 PolarHBondContact O-N 3.36Å; M178-I180 VanDerWaalsContact C-N 3.33Å; M178-I180 PolarHBondContact O-N 3.17Å; M178-V181 WeakPolarHBondContact O-CB 3.48Å; M178-V181 PolarHBondContact O-N 2.85Å; M178-C182 PolarHBondContact O-N 3.47Å; M178-C182 PolarHBondContact O-SG 2.99Å |
| 179 | C | 89.2 | Confident | 86.6 | Confident | 16 Ų | 16 | 41 Ų | 41 | 11% | 0.108 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 173.2 | -69 | 0 | 0 | 0 | 0 | 111.8 | F113 C175 V176 C182 V183 | F113-C179 HydrophobicContact CD2-CB 4.04Å; F113-C179 HydrophobicContact CE2-CB 3.98Å; C175-C179 PolarHBondContact O-N 2.91Å; C175-C179 PolarHBondContact O-SG 3.48Å; C175-C179 VanDerWaalsContact O-SG 3.4Å; V176-C179 WeakPolarHBondContact O-CB 3.19Å; V176-C179 PolarHBondContact O-N 2.77Å; V176-C179 VanDerWaalsContact O-N 3.14Å; C179-C182 PolarHBondContact O-N 3.34Å; C179-V183 WeakPolarHBondContact O-CG2 3.46Å; C179-V183 PolarHBondContact O-N 2.94Å |
| 180 | I | 92.2 | Very high | 87.6 | Confident | 91 Ų | 91 | 38.7 Ų | 38.7 | 47% | 0.467 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.9 | -45 | 176.1 | -66.9 | 166.5 | 0 | 0 | 0 | 110.9 | V176 A177 M178 C182 V183 L184 | V176-I180 HydrophobicContact CG1-CD1 4.09Å; V176-I180 WeakPolarHBondContact O-CG1 3.44Å; V176-I180 PolarHBondContact O-N 3.49Å; A177-I180 PolarHBondContact O-N 2.89Å; M178-I180 VanDerWaalsContact C-N 3.33Å; M178-I180 PolarHBondContact O-N 3.17Å; I180-C182 VanDerWaalsContact C-N 3.27Å; I180-C182 PolarHBondContact O-N 3.01Å; I180-V183 PolarHBondContact O-N 3.15Å; I180-L184 HydrophobicContact CG2-CD1 4.13Å; I180-L184 HydrophobicContact CG2-CG 4.48Å; I180-L184 WeakPolarHBondContact O-CG 3.48Å; I180-L184 PolarHBondContact O-N 3.45Å |
| 181 | V | 90.9 | Very high | 88.7 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -53.6 | -47.8 | 173 | 171.2 | 0 | 0 | 0 | 0 | 109.9 | L43 M46 W47 V50 A177 M178 V183 L184 G185 | L43-V181 HydrophobicContact CD1-CG1 4.47Å; L43-V181 HydrophobicContact CD2-CG1 4.48Å; L43-V181 WeakPolarHBondContact CD2-O 3.49Å; L43-V181 HydrophobicContact CG-CG1 4.13Å; M46-V181 HydrophobicContact CE-CB 4.34Å; M46-V181 HydrophobicContact CE-CG2 3.41Å; M46-V181 VanDerWaalsContact CE-CG2 3.41Å; M46-V181 HydrophobicContact CG-CG2 4.33Å; W47-V181 HydrophobicContact CB-CG1 3.91Å; W47-V181 HydrophobicContact CG-CG1 4.43Å; V50-V181 HydrophobicContact CG2-CG2 4.45Å; A177-V181 WeakPolarHBondContact O-CG2 3.18Å; A177-V181 PolarHBondContact O-N 2.93Å; M178-V181 WeakPolarHBondContact O-CB 3.48Å; M178-V181 PolarHBondContact O-N 2.85Å; V181-V183 PolarHBondContact O-N 3.07Å; V181-L184 PolarHBondContact O-N 2.9Å; V181-G185 PolarHBondContact O-N 3.45Å |
| 182 | C | 91.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.1 | -42.4 | 179.9 | -63.4 | 0 | 0 | 0 | 0 | 112.6 | V112 F113 M178 C179 I180 G185 L186 | V112-C182 VanDerWaalsContact CG1-SG 3.59Å; F113-C182 HydrophobicContact CB-CB 3.86Å; F113-C182 HydrophobicContact CD2-CB 4.28Å; M178-C182 PolarHBondContact O-N 3.47Å; M178-C182 PolarHBondContact O-SG 2.99Å; C179-C182 PolarHBondContact O-N 3.34Å; I180-C182 VanDerWaalsContact C-N 3.27Å; I180-C182 PolarHBondContact O-N 3.01Å; C182-G185 PolarHBondContact O-N 3.2Å; C182-L186 WeakPolarHBondContact O-CG 3.41Å; C182-L186 PolarHBondContact O-N 3.45Å |
| 183 | V | 94.5 | Very high | 90.1 | Very high | 63 Ų | 63 | 37 Ų | 37 | 38% | 0.382 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.5 | -46 | 177.3 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | F113 C179 I180 V181 G185 L186 I187 | F113-V183 HydrophobicContact CD2-CG2 4.25Å; F113-V183 HydrophobicContact CE2-CG2 4.01Å; C179-V183 WeakPolarHBondContact O-CG2 3.46Å; C179-V183 PolarHBondContact O-N 2.94Å; I180-V183 PolarHBondContact O-N 3.15Å; V181-V183 PolarHBondContact O-N 3.07Å; V183-G185 VanDerWaalsContact C-N 3.29Å; V183-G185 PolarHBondContact O-N 3Å; V183-L186 PolarHBondContact O-N 3.14Å; V183-I187 HydrophobicContact CG1-CD1 3.98Å; V183-I187 WeakPolarHBondContact O-CG1 3.13Å; V183-I187 PolarHBondContact O-N 3.28Å |
| 184 | L | 94.5 | Very high | 90.4 | Very high | 59 Ų | 59 | 38.8 Ų | 38.8 | 31% | 0.309 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.9 | -40.2 | 174.9 | -69.4 | 174.2 | 0 | 0 | 0 | 111.3 | L43 M46 I180 V181 L186 I187 F188 | L43-L184 HydrophobicContact CD1-CB 3.66Å; L43-L184 HydrophobicContact CD1-CD1 3.87Å; L43-L184 HydrophobicContact CD1-CG 4.44Å; L43-L184 HydrophobicContact CD2-CB 4.22Å; M46-L184 HydrophobicContact CE-CD1 4.08Å; I180-L184 HydrophobicContact CG2-CD1 4.13Å; I180-L184 HydrophobicContact CG2-CG 4.48Å; I180-L184 WeakPolarHBondContact O-CG 3.48Å; I180-L184 PolarHBondContact O-N 3.45Å; V181-L184 PolarHBondContact O-N 2.9Å; L184-L186 VanDerWaalsContact C-N 3.35Å; L184-L186 PolarHBondContact O-N 3.21Å; L184-I187 PolarHBondContact O-N 2.87Å; L184-F188 HydrophobicContact CB-CD2 4.42Å; L184-F188 HydrophobicContact CB-CE2 4.13Å; L184-F188 WeakPolarHBondContact O-CD2 3.09Å; L184-F188 WeakPolarHBondContact O-CG 3.32Å; L184-F188 PolarHBondContact O-N 3.5Å |
| 185 | G | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.4 | -42.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L43 V181 C182 V183 G189 | L43-G185 VanDerWaalsContact CD2-N 3.32Å; V181-G185 PolarHBondContact O-N 3.45Å; C182-G185 PolarHBondContact O-N 3.2Å; V183-G185 VanDerWaalsContact C-N 3.29Å; V183-G185 PolarHBondContact O-N 3Å; G185-G189 WeakPolarHBondContact O-CA 3.32Å; G185-G189 PolarHBondContact O-N 3.23Å |
| 186 | L | 93.7 | Very high | 90.8 | Very high | 35 Ų | 35 | 39.9 Ų | 39.9 | 18% | 0.183 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.9 | -44.4 | 174.5 | -69.1 | 171.7 | 0 | 0 | 0 | 112.2 | F106 C109 Q110 C182 V183 L184 G189 A190 | F106-L186 HydrophobicContact CD2-CD2 3.8Å; F106-L186 HydrophobicContact CE2-CB 4.38Å; F106-L186 HydrophobicContact CE2-CD2 3.84Å; F106-L186 HydrophobicContact CG-CD2 4.17Å; F106-L186 HydrophobicContact CZ-CD2 4.26Å; F106-L186 WeakPolarHBondContact O-CD2 3.36Å; C109-L186 HydrophobicContact CB-CD2 3.57Å; C109-L186 HydrophobicContact CB-CG 3.72Å; Q110-L186 HydrophobicContact CG-CD1 4.28Å; Q110-L186 HydrophobicContact CG-CD2 3.57Å; C182-L186 WeakPolarHBondContact O-CG 3.41Å; C182-L186 PolarHBondContact O-N 3.45Å; V183-L186 PolarHBondContact O-N 3.14Å; L184-L186 VanDerWaalsContact C-N 3.35Å; L184-L186 PolarHBondContact O-N 3.21Å; L186-G189 PolarHBondContact O-N 3.19Å; L186-A190 VanDerWaalsContact O-CB 3.26Å; L186-A190 WeakPolarHBondContact O-CB 3.35Å; L186-A190 PolarHBondContact O-N 2.9Å |
| 187 | I | 95.2 | Very high | 90.7 | Very high | 84 Ų | 84 | 38.4 Ų | 38.4 | 43% | 0.431 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.5 | -51.6 | 179.1 | -67.7 | 166.1 | 0 | 0 | 0 | 110.1 | V183 L184 G189 A190 I191 | V183-I187 HydrophobicContact CG1-CD1 3.98Å; V183-I187 WeakPolarHBondContact O-CG1 3.13Å; V183-I187 PolarHBondContact O-N 3.28Å; L184-I187 PolarHBondContact O-N 2.87Å; I187-G189 PolarHBondContact O-N 3.47Å; I187-A190 PolarHBondContact O-N 3.01Å; I187-I191 HydrophobicContact CG2-CD1 3.85Å; I187-I191 VanDerWaalsContact O-CG1 3.26Å; I187-I191 WeakPolarHBondContact O-CG1 3.38Å; I187-I191 PolarHBondContact O-N 3.43Å |
| 188 | F | 93.2 | Very high | 90.5 | Very high | 48 Ų | 48 | 44.2 Ų | 44.2 | 21% | 0.211 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.2 | -38.3 | 179.8 | -64.1 | -46.6 | 0 | 0 | 0 | 112.3 | L36 C39 L40 L184 I191 L192 | L36-F188 HydrophobicContact CD1-CD1 4.41Å; C39-F188 HydrophobicContact CB-CD2 4.42Å; C39-F188 HydrophobicContact CB-CE1 4.32Å; C39-F188 HydrophobicContact CB-CE2 4.17Å; C39-F188 HydrophobicContact CB-CZ 4.13Å; L40-F188 HydrophobicContact CD2-CB 3.77Å; L40-F188 HydrophobicContact CG-CB 4.21Å; L184-F188 HydrophobicContact CB-CD2 4.42Å; L184-F188 HydrophobicContact CB-CE2 4.13Å; L184-F188 WeakPolarHBondContact O-CD2 3.09Å; L184-F188 WeakPolarHBondContact O-CG 3.32Å; L184-F188 PolarHBondContact O-N 3.5Å; F188-I191 PolarHBondContact O-N 3.36Å; F188-L192 WeakPolarHBondContact O-CB 3.36Å; F188-L192 PolarHBondContact O-N 2.94Å |
| 189 | G | 90.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -47.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G185 L186 I187 I191 L192 I193 | G185-G189 WeakPolarHBondContact O-CA 3.32Å; G185-G189 PolarHBondContact O-N 3.23Å; L186-G189 PolarHBondContact O-N 3.19Å; I187-G189 PolarHBondContact O-N 3.47Å; G189-I191 PolarHBondContact O-N 2.94Å; G189-L192 WeakPolarHBondContact O-CB 3.4Å; G189-L192 PolarHBondContact O-N 3.22Å; G189-I193 WeakPolarHBondContact O-CD1 3.32Å; G189-I193 VanDerWaalsContact O-CG1 3.27Å; G189-I193 WeakPolarHBondContact O-CG1 3.49Å; G189-I193 PolarHBondContact O-N 3.46Å |
| 190 | A | 92.5 | Very high | 89.5 | Confident | 44 Ų | 44 | 44.3 Ų | 44.3 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F106 L186 I187 L192 I193 W194 | F106-A190 HydrophobicContact CE2-CB 4.12Å; L186-A190 VanDerWaalsContact O-CB 3.26Å; L186-A190 WeakPolarHBondContact O-CB 3.35Å; L186-A190 PolarHBondContact O-N 2.9Å; I187-A190 PolarHBondContact O-N 3.01Å; A190-L192 VanDerWaalsContact C-N 3.32Å; A190-L192 PolarHBondContact O-N 3.41Å; A190-I193 PolarHBondContact O-N 3.39Å; A190-W194 VanDerWaalsContact O-CB 3.26Å; A190-W194 WeakPolarHBondContact O-CB 3.25Å; A190-W194 PolarHBondContact O-N 2.86Å |
| 191 | I | 92.5 | Very high | 88.6 | Confident | 58 Ų | 58 | 41.7 Ų | 41.7 | 30% | 0.297 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.6 | -41 | 175.8 | -65.9 | 165.2 | 0 | 0 | 0 | 110.7 | L36 I187 F188 G189 R195 | L36-I191 HydrophobicContact CD1-CB 4.13Å; L36-I191 HydrophobicContact CD1-CG2 3.62Å; I187-I191 HydrophobicContact CG2-CD1 3.85Å; I187-I191 VanDerWaalsContact O-CG1 3.26Å; I187-I191 WeakPolarHBondContact O-CG1 3.38Å; I187-I191 PolarHBondContact O-N 3.43Å; F188-I191 PolarHBondContact O-N 3.36Å; G189-I191 PolarHBondContact O-N 2.94Å; I191-R195 WeakPolarHBondContact O-CB 3.39Å; I191-R195 VanDerWaalsContact O-CG 3.29Å; I191-R195 WeakPolarHBondContact O-CG 3.45Å; I191-R195 PolarHBondContact O-N 3.34Å; I191-R195 VanDerWaalsContact O-N 3.08Å |
| 192 | L | 90.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -52.5 | 177.1 | -174.2 | 49.2 | 0 | 0 | 0 | 110.9 | M33 L36 L40 A102 F188 G189 A190 W194 R195 L196 | M33-L192 HydrophobicContact SD-CD1 4.16Å; L36-L192 HydrophobicContact CD2-CB 3.42Å; L36-L192 VanDerWaalsContact CD2-CB 3.42Å; L36-L192 HydrophobicContact CD2-CD1 3.69Å; L36-L192 HydrophobicContact CD2-CD2 4.39Å; L36-L192 HydrophobicContact CD2-CG 3.99Å; L40-L192 HydrophobicContact CD1-CD2 3.89Å; A102-L192 HydrophobicContact CB-CB 4.43Å; A102-L192 HydrophobicContact CB-CD2 3.66Å; A102-L192 HydrophobicContact CB-CG 3.92Å; F188-L192 WeakPolarHBondContact O-CB 3.36Å; F188-L192 PolarHBondContact O-N 2.94Å; G189-L192 WeakPolarHBondContact O-CB 3.4Å; G189-L192 PolarHBondContact O-N 3.22Å; A190-L192 VanDerWaalsContact C-N 3.32Å; A190-L192 PolarHBondContact O-N 3.41Å; L192-W194 VanDerWaalsContact C-N 3.34Å; L192-W194 PolarHBondContact O-N 3.4Å; L192-R195 PolarHBondContact O-N 3.11Å; L192-L196 HydrophobicContact CD1-CD1 3.89Å; L192-L196 HydrophobicContact CD1-CG 4.01Å; L192-L196 HydrophobicContact CG-CD1 3.89Å; L192-L196 HydrophobicContact CG-CG 4.42Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 2.93Å |
| 193 | I | 90.4 | Very high | 86 | Confident | 43 Ų | 43 | 48 Ų | 48 | 22% | 0.221 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.1 | -47.8 | 179.9 | -67.8 | 161.6 | 0 | 0 | 0 | 110.2 | A102 L103 F106 G189 A190 R195 L196 C197 | A102-I193 HydrophobicContact CB-CG1 3.9Å; L103-I193 HydrophobicContact CD2-CD1 3.82Å; L103-I193 HydrophobicContact CD2-CG1 4.2Å; L103-I193 HydrophobicContact CD2-CG2 4.32Å; L103-I193 HydrophobicContact CG-CD1 4.37Å; L103-I193 HydrophobicContact CG-CG1 4.44Å; F106-I193 HydrophobicContact CB-CD1 3.99Å; F106-I193 HydrophobicContact CD2-CD1 4.42Å; F106-I193 HydrophobicContact CG-CD1 4.3Å; G189-I193 WeakPolarHBondContact O-CD1 3.32Å; G189-I193 VanDerWaalsContact O-CG1 3.27Å; G189-I193 WeakPolarHBondContact O-CG1 3.49Å; G189-I193 PolarHBondContact O-N 3.46Å; A190-I193 PolarHBondContact O-N 3.39Å; I193-R195 VanDerWaalsContact C-N 3.3Å; I193-R195 PolarHBondContact O-N 2.83Å; I193-L196 PolarHBondContact O-N 3.41Å; I193-C197 WeakPolarHBondContact O-CB 3.48Å; I193-C197 PolarHBondContact O-N 3.42Å |
| 194 | W | 89.5 | Confident | 84.3 | Confident | 157 Ų | 157 | 45.8 Ų | 45.8 | 60% | 0.595 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -58.2 | -43.3 | 179 | 175.7 | 57.5 | 0 | 0 | 0 | 111.9 | A190 L192 R198 | A190-W194 VanDerWaalsContact O-CB 3.26Å; A190-W194 WeakPolarHBondContact O-CB 3.25Å; A190-W194 PolarHBondContact O-N 2.86Å; L192-W194 VanDerWaalsContact C-N 3.34Å; L192-W194 PolarHBondContact O-N 3.4Å; W194-R198 WeakPolarHBondContact O-CB 3.43Å; W194-R198 PolarHBondContact O-N 3.12Å |
| 195 | R | 85.8 | Confident | 82.3 | Confident | 46 Ų | 46 | 44.9 Ų | 44.9 | 17% | 0.174 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.3 | -47.5 | 177.8 | -77.7 | 173.2 | 170.8 | -88.9 | -6.6 | 112.7 | Q32 M33 I191 L192 I193 C197 R198 I199 | Q32-R195 VanDerWaalsContact CB-NH1 3.33Å; M33-R195 HydrophobicContact CE-CB 3.94Å; I191-R195 WeakPolarHBondContact O-CB 3.39Å; I191-R195 VanDerWaalsContact O-CG 3.29Å; I191-R195 WeakPolarHBondContact O-CG 3.45Å; I191-R195 PolarHBondContact O-N 3.34Å; I191-R195 VanDerWaalsContact O-N 3.08Å; L192-R195 PolarHBondContact O-N 3.11Å; I193-R195 VanDerWaalsContact C-N 3.3Å; I193-R195 PolarHBondContact O-N 2.83Å; R195-C197 VanDerWaalsContact C-N 3.3Å; R195-C197 PolarHBondContact O-N 2.89Å; R195-R198 PolarHBondContact O-N 3.14Å; R195-I199 WeakPolarHBondContact O-CD1 3.34Å; R195-I199 VanDerWaalsContact O-CG1 3.27Å; R195-I199 WeakPolarHBondContact O-CG1 3.42Å; R195-I199 PolarHBondContact O-N 2.8Å |
| 196 | L | 86.3 | Confident | 80.7 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 177.8 | -67.3 | 173.1 | 0 | 0 | 0 | 109.9 | M33 L86 F95 A99 L192 I193 R198 I199 A200 | M33-L196 HydrophobicContact CE-CD2 4.41Å; L86-L196 HydrophobicContact CD2-CD2 3.77Å; F95-L196 HydrophobicContact CD2-CD2 3.87Å; F95-L196 HydrophobicContact CE2-CB 4.11Å; F95-L196 HydrophobicContact CE2-CD2 3.5Å; F95-L196 HydrophobicContact CE2-CG 4.41Å; F95-L196 HydrophobicContact CZ-CB 3.88Å; F95-L196 HydrophobicContact CZ-CD2 4.08Å; F95-L196 WeakPolarHBondContact CZ-O 3.39Å; A99-L196 HydrophobicContact CB-CD1 4.01Å; L192-L196 HydrophobicContact CD1-CD1 3.89Å; L192-L196 HydrophobicContact CD1-CG 4.01Å; L192-L196 HydrophobicContact CG-CD1 3.89Å; L192-L196 HydrophobicContact CG-CG 4.42Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 2.93Å; I193-L196 PolarHBondContact O-N 3.41Å; L196-R198 PolarHBondContact O-N 3.5Å; L196-I199 PolarHBondContact O-N 3.33Å; L196-A200 PolarHBondContact O-N 2.94Å |
| 197 | C | 84.9 | Confident | 79 | Confident | 28 Ų | 28 | 50.7 Ų | 50.7 | 19% | 0.189 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 175.9 | -169 | 0 | 0 | 0 | 0 | 111.8 | I193 R195 I199 A200 L201 | I193-C197 WeakPolarHBondContact O-CB 3.48Å; I193-C197 PolarHBondContact O-N 3.42Å; R195-C197 VanDerWaalsContact C-N 3.3Å; R195-C197 PolarHBondContact O-N 2.89Å; C197-I199 PolarHBondContact O-N 2.83Å; C197-A200 PolarHBondContact O-N 3.41Å; C197-L201 WeakPolarHBondContact O-CB 3.47Å; C197-L201 VanDerWaalsContact O-CG 3.28Å; C197-L201 WeakPolarHBondContact O-CG 3.35Å; C197-L201 PolarHBondContact O-N 3.28Å |
| 198 | R | 83 | Confident | 77.3 | Confident | 152 Ų | 152 | 52.6 Ų | 52.6 | 57% | 0.574 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62 | -43.2 | 175.8 | -172.2 | 178.1 | 176.2 | -176.9 | -0.2 | 112.3 | W194 R195 L196 L201 C202 | W194-R198 WeakPolarHBondContact O-CB 3.43Å; W194-R198 PolarHBondContact O-N 3.12Å; R195-R198 PolarHBondContact O-N 3.14Å; L196-R198 PolarHBondContact O-N 3.5Å; R198-L201 PolarHBondContact O-N 3.46Å; R198-C202 VanDerWaalsContact O-CB 3.24Å; R198-C202 WeakPolarHBondContact O-CB 3.45Å; R198-C202 PolarHBondContact O-N 2.87Å; R198-C202 PolarHBondContact O-SG 3.3Å |
| 199 | I | 78.1 | Confident | 75.8 | Confident | 17 Ų | 17 | 52 Ų | 52 | 9% | 0.087 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 176.5 | -69.4 | 161.3 | 0 | 0 | 0 | 110.2 | L28 M33 F95 R195 L196 C197 N203 | L28-I199 HydrophobicContact CD2-CD1 3.54Å; L28-I199 HydrophobicContact CG-CD1 4.04Å; M33-I199 HydrophobicContact CE-CD1 3.77Å; F95-I199 HydrophobicContact CE2-CB 4.26Å; F95-I199 HydrophobicContact CE2-CG2 4Å; R195-I199 WeakPolarHBondContact O-CD1 3.34Å; R195-I199 VanDerWaalsContact O-CG1 3.27Å; R195-I199 WeakPolarHBondContact O-CG1 3.42Å; R195-I199 PolarHBondContact O-N 2.8Å; L196-I199 PolarHBondContact O-N 3.33Å; C197-I199 PolarHBondContact O-N 2.83Å; I199-N203 WeakPolarHBondContact O-CB 3.25Å; I199-N203 PolarHBondContact O-N 3.2Å; I199-N203 VanDerWaalsContact O-N 3.09Å |
| 200 | A | 77.4 | Confident | 74.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.7 | -51.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F95 L196 C197 C202 Y204 N275 L277 L278 | F95-A200 HydrophobicContact CZ-CB 4.11Å; L196-A200 PolarHBondContact O-N 2.94Å; C197-A200 PolarHBondContact O-N 3.41Å; A200-C202 PolarHBondContact O-N 3.15Å; A200-Y204 WeakPolarHBondContact O-CB 3.38Å; A200-Y204 PolarHBondContact O-N 3.39Å; A200-Y204 VanDerWaalsContact O-N 3.09Å; A200-N275 VanDerWaalsContact C-ND2 3.26Å; A200-N275 PolarHBondContact O-ND2 3.08Å; A200-L277 HydrophobicContact CB-CD2 4.16Å; A200-L278 HydrophobicContact CB-CD1 4.26Å; A200-L278 HydrophobicContact CB-CD2 3.79Å; A200-L278 HydrophobicContact CB-CG 3.81Å |
| 201 | L | 74.5 | Confident | 73.6 | Confident | 37 Ų | 37 | 63 Ų | 63 | 19% | 0.194 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.9 | -30.7 | -176.1 | -70.3 | 174.4 | 0 | 0 | 0 | 114.1 | C197 R198 R273 L278 | C197-L201 WeakPolarHBondContact O-CB 3.47Å; C197-L201 VanDerWaalsContact O-CG 3.28Å; C197-L201 WeakPolarHBondContact O-CG 3.35Å; C197-L201 PolarHBondContact O-N 3.28Å; R198-L201 PolarHBondContact O-N 3.46Å; L201-R273 HydrophobicContact CD2-CB 3.8Å; L201-L278 HydrophobicContact CD2-CD1 4.19Å; L201-L278 HydrophobicContact CG-CD1 4.44Å |
| 202 | C | 68.3 | Low | 72.5 | Confident | 91 Ų | 91 | 63.1 Ų | 63.1 | 62% | 0.615 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -84 | -31.5 | -179.9 | -70.6 | 0 | 0 | 0 | 0 | 113.2 | R198 A200 | R198-C202 VanDerWaalsContact O-CB 3.24Å; R198-C202 WeakPolarHBondContact O-CB 3.45Å; R198-C202 PolarHBondContact O-N 2.87Å; R198-C202 PolarHBondContact O-SG 3.3Å; A200-C202 PolarHBondContact O-N 3.15Å |
| 203 | N | 59.7 | Low | 71.4 | Confident | 43 Ų | 43 | 63.1 Ų | 63.1 | 23% | 0.23 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -109.2 | -14.1 | -168 | -61.9 | -15.1 | 0 | 0 | 0 | 114.3 | S24 I199 | S24-N203 PolarHBondContact O-ND2 2.97Å; I199-N203 WeakPolarHBondContact O-CB 3.25Å; I199-N203 PolarHBondContact O-N 3.2Å; I199-N203 VanDerWaalsContact O-N 3.09Å |
| 204 | Y | 57.5 | Low | 70.5 | Confident | 15 Ų | 15 | 63.1 Ų | 63.1 | 6% | 0.059 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -113.7 | 134.9 | -179.2 | -74.7 | -93.3 | 0 | 0 | 0 | 111.5 | E20 S24 F25 A200 N275 L277 | E20-Y204 HydrophobicContact CG-CD1 4.33Å; E20-Y204 HydrophobicContact CG-CE1 4.22Å; E20-Y204 WeakPolarHBondContact OE1-CE1 3.43Å; S24-Y204 PolarHBondContact OG-OH 3.42Å; F25-Y204 HydrophobicContact CE1-CE2 4.3Å; F25-Y204 WeakPolarHBondContact CE2-OH 3.47Å; F25-Y204 HydrophobicContact CZ-CE2 4.09Å; F25-Y204 AromaticContact CZ-CZ 3.93Å; F25-Y204 WeakPolarHBondContact CZ-OH 3.37Å; A200-Y204 WeakPolarHBondContact O-CB 3.38Å; A200-Y204 PolarHBondContact O-N 3.39Å; A200-Y204 VanDerWaalsContact O-N 3.09Å; Y204-N275 WeakPolarHBondContact CB-ND2 3.25Å; Y204-L277 HydrophobicContact CD1-CB 4.44Å; Y204-L277 HydrophobicContact CD2-CB 4.43Å; Y204-L277 HydrophobicContact CD2-CD2 3.81Å; Y204-L277 HydrophobicContact CE2-CD2 3.59Å; Y204-L277 HydrophobicContact CG-CB 4.3Å; Y204-L277 HydrophobicContact CG-CD2 4.47Å |
| 205 | V | 52.7 | Low | 69.9 | Low | 41 Ų | 41 | 63 Ų | 63 | 25% | 0.248 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -79 | 144.5 | -169.5 | -167.7 | 0 | 0 | 0 | 0 | 111.6 | F18 T207 | F18-V205 HydrophobicContact CB-CB 3.69Å; F18-V205 HydrophobicContact CB-CG1 3.29Å; F18-V205 HydrophobicContact CB-CG2 3.87Å; F18-V205 HydrophobicContact CD1-CB 4.49Å; F18-V205 HydrophobicContact CD1-CG1 3.56Å; F18-V205 HydrophobicContact CD1-CG2 4.32Å; F18-V205 HydrophobicContact CD2-CB 4.46Å; F18-V205 HydrophobicContact CD2-CG1 3.23Å; F18-V205 HydrophobicContact CE1-CG1 3.95Å; F18-V205 HydrophobicContact CE2-CG1 3.65Å; F18-V205 HydrophobicContact CG-CB 4.07Å; F18-V205 HydrophobicContact CG-CG1 3.13Å; F18-V205 HydrophobicContact CG-CG2 4.3Å; F18-V205 HydrophobicContact CZ-CG1 3.95Å; V205-T207 PolarHBondContact O-N 2.89Å |
| 206 | Y | 58.2 | Low | 69.5 | Low | 114 Ų | 114 | 61.8 Ų | 61.8 | 45% | 0.447 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -53.5 | 121.5 | 175.8 | -64.5 | -75.2 | 0 | 0 | 0 | 110.7 | R273 P274 | Y206-R273 HydrophobicContact CE1-CB 3.92Å; Y206-R273 HydrophobicContact CE1-CG 3.96Å; Y206-P274 WeakPolarHBondContact CA-O 3.28Å |
| 207 | T | 58.6 | Low | 69.1 | Low | 42 Ų | 42 | 61.7 Ų | 61.7 | 26% | 0.258 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -90.2 | 126.6 | 173.8 | 25.3 | 0 | 0 | 0 | 0 | 108.3 | V205 L209 P274 R276 | V205-T207 PolarHBondContact O-N 2.89Å; T207-L209 PolarHBondContact O-N 2.97Å; T207-P274 PolarHBondContact N-O 2.71Å; T207-P274 VanDerWaalsContact O-CB 3.25Å; T207-P274 WeakPolarHBondContact O-CB 3.4Å; T207-P274 WeakPolarHBondContact O-CG 3.41Å; T207-R276 HydrophobicContact CG2-CB 4.17Å |
| 208 | P | 59.1 | Low | 68.9 | Low | 125 Ų | 125 | 63.2 Ų | 63.2 | 81% | 0.812 | 32% | 0.322 | S | S | * | . | trans | -62.9 | 115.9 | 175.6 | 24.2 | -31.1 | 0 | 0 | 0 | 108.7 | ||||
| 209 | L | 62.2 | Low | 68.7 | Low | 34 Ų | 34 | 59.9 Ų | 59.9 | 18% | 0.178 | 32% | 0.319 | C | S | . | . | trans | -80.9 | 126.7 | 176 | -83.9 | 172.7 | 0 | 0 | 0 | 109.7 | T207 L213 F217 L270 P274 | T207-L209 PolarHBondContact O-N 2.97Å; L209-L213 HydrophobicContact CD2-CB 3.88Å; L209-L213 HydrophobicContact CD2-CD2 3.07Å; L209-L213 HydrophobicContact CD2-CG 3.98Å; L209-F217 HydrophobicContact CD1-CE2 4.37Å; L209-F217 HydrophobicContact CD2-CE2 4.34Å; L209-L270 WeakPolarHBondContact CD1-O 3.33Å; L209-P274 HydrophobicContact CD1-CB 3.47Å; L209-P274 VanDerWaalsContact CD1-CB 3.47Å; L209-P274 HydrophobicContact CD1-CG 3.91Å; L209-P274 HydrophobicContact CD2-CB 4.47Å; L209-P274 HydrophobicContact CG-CB 3.55Å; L209-P274 HydrophobicContact CG-CG 4.05Å | ||
| 210 | P | 68.1 | Low | 68.7 | Low | 60 Ų | 60 | 59.5 Ų | 59.5 | 39% | 0.39 | 32% | 0.319 | S | S | . | . | trans | -61.7 | 140.7 | 167.2 | 24.4 | -28.9 | 0 | 0 | 0 | 109.1 | S212 L213 T214 | P210-S212 PolarHBondContact O-N 3.19Å; P210-L213 HydrophobicContact CG-CB 4.21Å; P210-L213 WeakPolarHBondContact O-CB 3.42Å; P210-L213 PolarHBondContact O-N 3.41Å; P210-T214 PolarHBondContact O-N 3.35Å | ||
| 211 | R | 67.7 | Low | 68.9 | Low | 216 Ų | 216 | 59.5 Ų | 59.5 | 82% | 0.815 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -51.7 | -31 | -179.5 | -78.8 | -178 | 174.2 | 168.6 | -1.9 | 113.2 | L213 T214 K215 | R211-L213 VanDerWaalsContact C-N 3.28Å; R211-L213 PolarHBondContact O-N 3.29Å; R211-T214 PolarHBondContact O-N 3.44Å; R211-K215 PolarHBondContact O-N 2.66Å |
| 212 | S | 69.8 | Low | 69.4 | Low | 60 Ų | 60 | 61.2 Ų | 61.2 | 42% | 0.42 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.1 | -34.6 | 174.9 | 58.4 | 0 | 0 | 0 | 0 | 112.6 | P210 F216 | P210-S212 PolarHBondContact O-N 3.19Å; S212-F216 WeakPolarHBondContact O-CB 3.44Å; S212-F216 PolarHBondContact O-N 3.07Å |
| 213 | L | 67.5 | Low | 70.2 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -76.8 | -36.1 | 176.8 | -153.4 | 84.6 | 0 | 0 | 0 | 112.5 | L209 P210 R211 K215 F216 F217 L279 R345 I349 | L209-L213 HydrophobicContact CD2-CB 3.88Å; L209-L213 HydrophobicContact CD2-CD2 3.07Å; L209-L213 HydrophobicContact CD2-CG 3.98Å; P210-L213 HydrophobicContact CG-CB 4.21Å; P210-L213 WeakPolarHBondContact O-CB 3.42Å; P210-L213 PolarHBondContact O-N 3.41Å; R211-L213 VanDerWaalsContact C-N 3.28Å; R211-L213 PolarHBondContact O-N 3.29Å; L213-K215 VanDerWaalsContact C-N 3.33Å; L213-F216 HydrophobicContact CD1-CD1 4.34Å; L213-F216 CarbonylContact O-C 3.56Å; L213-F216 WeakPolarHBondContact O-CB 3.43Å; L213-F216 PolarHBondContact O-N 3.44Å; L213-F216 VanDerWaalsContact O-N 3.17Å; L213-F217 HydrophobicContact CD2-CD2 4.35Å; L213-F217 HydrophobicContact CD2-CE1 4.11Å; L213-F217 HydrophobicContact CD2-CE2 3.48Å; L213-F217 VanDerWaalsContact CD2-CE2 3.48Å; L213-F217 HydrophobicContact CD2-CZ 3.32Å; L213-F217 HydrophobicContact CG-CD2 4.45Å; L213-F217 HydrophobicContact CG-CE1 4.22Å; L213-F217 HydrophobicContact CG-CE2 4.01Å; L213-F217 HydrophobicContact CG-CZ 3.86Å; L213-F217 PolarHBondContact O-N 3.17Å; L213-L279 HydrophobicContact CD2-CD2 4.39Å; L213-R345 HydrophobicContact CD1-CG 4.41Å; L213-I349 HydrophobicContact CD1-CB 4.41Å; L213-I349 HydrophobicContact CD1-CD1 3.19Å; L213-I349 HydrophobicContact CD1-CG1 3.7Å; L213-I349 HydrophobicContact CD2-CG2 4.29Å |
| 214 | T | 71.9 | Confident | 71.4 | Confident | 44 Ų | 44 | 58 Ų | 58 | 27% | 0.27 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 173.8 | -41.6 | 0 | 0 | 0 | 0 | 110.4 | P210 R211 F216 F217 C218 V271 | P210-T214 PolarHBondContact O-N 3.35Å; R211-T214 PolarHBondContact O-N 3.44Å; T214-F216 VanDerWaalsContact C-N 3.32Å; T214-F216 PolarHBondContact O-N 2.76Å; T214-F217 PolarHBondContact O-N 2.9Å; T214-C218 PolarHBondContact O-N 2.87Å; T214-C218 PolarHBondContact O-SG 3.42Å; T214-V271 HydrophobicContact CG2-CG1 3.96Å; T214-V271 HydrophobicContact CG2-CG2 4.48Å |
| 215 | K | 76.3 | Confident | 72.8 | Confident | 153 Ų | 153 | 60.1 Ų | 60.1 | 67% | 0.665 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -58.9 | -43.3 | 171.1 | -77.2 | -172.5 | 176.7 | -174.3 | 0 | 111.8 | R211 L213 C218 T219 | R211-K215 PolarHBondContact O-N 2.66Å; L213-K215 VanDerWaalsContact C-N 3.33Å; K215-C218 PolarHBondContact O-N 3.31Å; K215-T219 WeakPolarHBondContact O-CB 3.36Å; K215-T219 WeakPolarHBondContact O-CG2 3.5Å; K215-T219 PolarHBondContact O-N 3.48Å; K215-T219 PolarHBondContact O-OG1 3.37Å |
| 216 | F | 76.8 | Confident | 74.5 | Confident | 22 Ų | 22 | 62.2 Ų | 62.2 | 10% | 0.096 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 176.6 | 174.6 | -101 | 0 | 0 | 0 | 112.5 | S212 L213 T214 T219 G220 Y341 R345 | S212-F216 WeakPolarHBondContact O-CB 3.44Å; S212-F216 PolarHBondContact O-N 3.07Å; L213-F216 HydrophobicContact CD1-CD1 4.34Å; L213-F216 CarbonylContact O-C 3.56Å; L213-F216 WeakPolarHBondContact O-CB 3.43Å; L213-F216 PolarHBondContact O-N 3.44Å; L213-F216 VanDerWaalsContact O-N 3.17Å; T214-F216 VanDerWaalsContact C-N 3.32Å; T214-F216 PolarHBondContact O-N 2.76Å; F216-T219 PolarHBondContact O-OG1 3.29Å; F216-G220 VanDerWaalsContact O-CA 3.28Å; F216-G220 WeakPolarHBondContact O-CA 3.18Å; F216-G220 PolarHBondContact O-N 2.75Å; F216-Y341 HydrophobicContact CD2-CE1 4.36Å; F216-Y341 AromaticContact CE2-CD1 3.95Å; F216-Y341 HydrophobicContact CE2-CD1 3.95Å; F216-Y341 AromaticContact CE2-CE1 3.77Å; F216-Y341 HydrophobicContact CE2-CE1 3.77Å; F216-R345 HydrophobicContact CD1-CG 4.48Å; F216-R345 HydrophobicContact CG-CG 4.47Å; F216-R345 HydrophobicContact CZ-CB 4.41Å |
| 217 | F | 78.9 | Confident | 75.9 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.009 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.4 | -35.7 | 176.2 | -69.1 | -25.4 | 0 | 0 | 0 | 113 | L209 L213 T214 G221 Q267 L270 V271 L279 M282 L346 | L209-F217 HydrophobicContact CD1-CE2 4.37Å; L209-F217 HydrophobicContact CD2-CE2 4.34Å; L213-F217 HydrophobicContact CD2-CD2 4.35Å; L213-F217 HydrophobicContact CD2-CE1 4.11Å; L213-F217 HydrophobicContact CD2-CE2 3.48Å; L213-F217 VanDerWaalsContact CD2-CE2 3.48Å; L213-F217 HydrophobicContact CD2-CZ 3.32Å; L213-F217 HydrophobicContact CG-CD2 4.45Å; L213-F217 HydrophobicContact CG-CE1 4.22Å; L213-F217 HydrophobicContact CG-CE2 4.01Å; L213-F217 HydrophobicContact CG-CZ 3.86Å; L213-F217 PolarHBondContact O-N 3.17Å; T214-F217 PolarHBondContact O-N 2.9Å; F217-G221 VanDerWaalsContact O-CA 3.27Å; F217-G221 WeakPolarHBondContact O-CA 3.38Å; F217-G221 PolarHBondContact O-N 3.43Å; F217-Q267 HydrophobicContact CB-CB 4.42Å; F217-Q267 HydrophobicContact CD1-CG 4.11Å; F217-Q267 PolarHBondContact O-OE1 3.47Å; F217-L270 HydrophobicContact CD2-CB 4.44Å; F217-L270 HydrophobicContact CE2-CB 4.09Å; F217-V271 HydrophobicContact CB-CG2 3.52Å; F217-V271 HydrophobicContact CD2-CG2 4.04Å; F217-V271 HydrophobicContact CG-CG2 4.28Å; F217-L279 HydrophobicContact CE2-CD2 4Å; F217-L279 HydrophobicContact CZ-CD2 3.54Å; F217-M282 HydrophobicContact CD1-CE 3.83Å; F217-M282 HydrophobicContact CE1-CE 3.13Å; F217-M282 HydrophobicContact CE2-CE 4.29Å; F217-M282 HydrophobicContact CZ-CE 3.4Å; F217-M282 VanDerWaalsContact CZ-CE 3.4Å; F217-L346 HydrophobicContact CE1-CD2 3.96Å; F217-L346 HydrophobicContact CZ-CD2 3.86Å |
| 218 | C | 79.6 | Confident | 77.3 | Confident | 60 Ų | 60 | 56.2 Ų | 56.2 | 41% | 0.405 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68 | -44.4 | 174.8 | -66 | 0 | 0 | 0 | 0 | 111.9 | T214 K215 T222 | T214-C218 PolarHBondContact O-N 2.87Å; T214-C218 PolarHBondContact O-SG 3.42Å; K215-C218 PolarHBondContact O-N 3.31Å; C218-T222 WeakPolarHBondContact O-CB 3.49Å; C218-T222 WeakPolarHBondContact O-CG2 3.42Å; C218-T222 PolarHBondContact O-N 3.49Å; C218-T222 VanDerWaalsContact O-N 3.16Å; C218-T222 PolarHBondContact O-OG1 2.93Å |
| 219 | T | 80 | Confident | 78.6 | Confident | 82 Ų | 82 | 55.3 Ų | 55.3 | 50% | 0.503 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -76.9 | -47.9 | -179 | 51.2 | 0 | 0 | 0 | 0 | 112.3 | K215 F216 G221 T222 V223 | K215-T219 WeakPolarHBondContact O-CB 3.36Å; K215-T219 WeakPolarHBondContact O-CG2 3.5Å; K215-T219 PolarHBondContact O-N 3.48Å; K215-T219 PolarHBondContact O-OG1 3.37Å; F216-T219 PolarHBondContact O-OG1 3.29Å; T219-G221 VanDerWaalsContact C-N 3.35Å; T219-G221 PolarHBondContact O-N 2.85Å; T219-T222 WeakPolarHBondContact CA-OG1 3.41Å; T219-T222 PolarHBondContact O-N 3.38Å; T219-T222 PolarHBondContact O-OG1 3.17Å; T219-V223 WeakPolarHBondContact O-CG2 3.22Å; T219-V223 PolarHBondContact O-N 2.72Å; T219-V223 VanDerWaalsContact O-N 3.11Å |
| 220 | G | 78.6 | Confident | 79.8 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 8% | 0.082 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F216 T222 V223 L224 | F216-G220 VanDerWaalsContact O-CA 3.28Å; F216-G220 WeakPolarHBondContact O-CA 3.18Å; F216-G220 PolarHBondContact O-N 2.75Å; G220-T222 PolarHBondContact O-N 3.23Å; G220-V223 PolarHBondContact O-N 3.11Å; G220-L224 WeakPolarHBondContact O-CG 3.29Å; G220-L224 PolarHBondContact O-N 3.32Å |
| 221 | G | 81.1 | Confident | 80.7 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.6 | -36.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F217 T219 L224 L225 T264 | F217-G221 VanDerWaalsContact O-CA 3.27Å; F217-G221 WeakPolarHBondContact O-CA 3.38Å; F217-G221 PolarHBondContact O-N 3.43Å; T219-G221 VanDerWaalsContact C-N 3.35Å; T219-G221 PolarHBondContact O-N 2.85Å; G221-L224 PolarHBondContact O-N 2.97Å; G221-L225 WeakPolarHBondContact O-CB 3.34Å; G221-L225 PolarHBondContact O-N 3.39Å; G221-T264 WeakPolarHBondContact O-CG2 3.34Å |
| 222 | T | 84 | Confident | 81.4 | Confident | 72 Ų | 72 | 46 Ų | 46 | 44% | 0.442 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 173.5 | 40.4 | 0 | 0 | 0 | 0 | 111.9 | C218 T219 G220 L225 C226 | C218-T222 WeakPolarHBondContact O-CB 3.49Å; C218-T222 WeakPolarHBondContact O-CG2 3.42Å; C218-T222 PolarHBondContact O-N 3.49Å; C218-T222 VanDerWaalsContact O-N 3.16Å; C218-T222 PolarHBondContact O-OG1 2.93Å; T219-T222 WeakPolarHBondContact CA-OG1 3.41Å; T219-T222 PolarHBondContact O-N 3.38Å; T219-T222 PolarHBondContact O-OG1 3.17Å; G220-T222 PolarHBondContact O-N 3.23Å; T222-L225 PolarHBondContact O-N 3.41Å; T222-C226 PolarHBondContact O-N 2.98Å; T222-C226 PolarHBondContact O-SG 3.19Å |
| 223 | V | 85.4 | Confident | 82.1 | Confident | 68 Ų | 68 | 49.9 Ų | 49.9 | 41% | 0.412 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.8 | -47 | 173.6 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | T219 G220 L225 C226 L227 V338 | T219-V223 WeakPolarHBondContact O-CG2 3.22Å; T219-V223 PolarHBondContact O-N 2.72Å; T219-V223 VanDerWaalsContact O-N 3.11Å; G220-V223 PolarHBondContact O-N 3.11Å; V223-L225 VanDerWaalsContact C-N 3.31Å; V223-L225 PolarHBondContact O-N 3.07Å; V223-C226 PolarHBondContact O-N 3.32Å; V223-L227 HydrophobicContact CG1-CD1 3.92Å; V223-L227 HydrophobicContact CG1-CG 4.5Å; V223-L227 WeakPolarHBondContact O-CG 3.38Å; V223-L227 PolarHBondContact O-N 2.95Å; V223-V338 HydrophobicContact CG1-CG1 4.37Å; V223-V338 HydrophobicContact CG1-CG2 4.29Å |
| 224 | L | 85.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 177.3 | -69.6 | -175.9 | 0 | 0 | 0 | 111.9 | G220 G221 L227 A228 L260 Q263 T264 Q267 V338 | G220-L224 WeakPolarHBondContact O-CG 3.29Å; G220-L224 PolarHBondContact O-N 3.32Å; G221-L224 PolarHBondContact O-N 2.97Å; L224-L227 PolarHBondContact O-N 2.84Å; L224-A228 VanDerWaalsContact O-CB 3.3Å; L224-A228 WeakPolarHBondContact O-CB 3.43Å; L224-A228 PolarHBondContact O-N 3.06Å; L224-L260 HydrophobicContact CD2-CD1 4.39Å; L224-L260 HydrophobicContact CD2-CD2 3.73Å; L224-Q263 HydrophobicContact CD1-CB 4.35Å; L224-T264 WeakPolarHBondContact CB-OG1 3.46Å; L224-Q267 VanDerWaalsContact CD1-NE2 3.33Å; L224-V338 HydrophobicContact CD2-CG1 3.61Å; L224-V338 HydrophobicContact CG-CG1 4.42Å |
| 225 | L | 87.3 | Confident | 82.9 | Confident | 59 Ų | 59 | 49 Ų | 49 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 175.4 | -174.3 | 59.3 | 0 | 0 | 0 | 111.8 | G221 T222 V223 L227 A228 L229 L261 T264 | G221-L225 WeakPolarHBondContact O-CB 3.34Å; G221-L225 PolarHBondContact O-N 3.39Å; T222-L225 PolarHBondContact O-N 3.41Å; V223-L225 VanDerWaalsContact C-N 3.31Å; V223-L225 PolarHBondContact O-N 3.07Å; L225-L227 VanDerWaalsContact C-N 3.33Å; L225-L227 PolarHBondContact O-N 3.46Å; L225-A228 WeakPolarHBondContact O-CB 3.23Å; L225-A228 PolarHBondContact O-N 3.19Å; L225-L229 HydrophobicContact CD1-CG 4.44Å; L225-L229 HydrophobicContact CG-CD1 4.23Å; L225-L229 WeakPolarHBondContact O-CG 3.29Å; L225-L229 PolarHBondContact O-N 3.08Å; L225-L261 HydrophobicContact CD1-CD1 3.86Å; L225-T264 HydrophobicContact CB-CG2 4.05Å; L225-T264 HydrophobicContact CD1-CG2 4.48Å |
| 226 | C | 88.7 | Confident | 82.8 | Confident | 84 Ų | 84 | 47.5 Ų | 47.5 | 57% | 0.568 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -60.9 | -43.3 | 177.9 | -70.2 | 0 | 0 | 0 | 0 | 111.5 | T222 V223 L229 F230 | T222-C226 PolarHBondContact O-N 2.98Å; T222-C226 PolarHBondContact O-SG 3.19Å; V223-C226 PolarHBondContact O-N 3.32Å; C226-L229 PolarHBondContact O-N 2.96Å; C226-F230 WeakPolarHBondContact O-CB 3.47Å; C226-F230 PolarHBondContact O-N 3.4Å |
| 227 | L | 86.8 | Confident | 82.6 | Confident | 30 Ų | 30 | 50.8 Ų | 50.8 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 175.5 | -70.6 | 169 | 0 | 0 | 0 | 111.6 | V223 L224 L225 F230 S231 L260 V334 R335 V338 | V223-L227 HydrophobicContact CG1-CD1 3.92Å; V223-L227 HydrophobicContact CG1-CG 4.5Å; V223-L227 WeakPolarHBondContact O-CG 3.38Å; V223-L227 PolarHBondContact O-N 2.95Å; L224-L227 PolarHBondContact O-N 2.84Å; L225-L227 VanDerWaalsContact C-N 3.33Å; L225-L227 PolarHBondContact O-N 3.46Å; L227-F230 PolarHBondContact O-N 3.46Å; L227-S231 WeakPolarHBondContact O-CB 3.46Å; L227-S231 PolarHBondContact O-N 3.49Å; L227-S231 PolarHBondContact O-OG 2.83Å; L227-L260 HydrophobicContact CB-CD1 3.94Å; L227-V334 HydrophobicContact CD2-CG1 4.25Å; L227-R335 HydrophobicContact CB-CG 4.4Å; L227-R335 HydrophobicContact CD1-CG 4.15Å; L227-R335 HydrophobicContact CD2-CG 4.47Å; L227-V338 HydrophobicContact CD1-CG2 4.29Å |
| 228 | A | 87.5 | Confident | 82.1 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L224 L225 S231 C232 G257 L260 L261 | L224-A228 VanDerWaalsContact O-CB 3.3Å; L224-A228 WeakPolarHBondContact O-CB 3.43Å; L224-A228 PolarHBondContact O-N 3.06Å; L225-A228 WeakPolarHBondContact O-CB 3.23Å; L225-A228 PolarHBondContact O-N 3.19Å; A228-S231 WeakPolarHBondContact O-CB 3.5Å; A228-S231 PolarHBondContact O-N 2.97Å; A228-C232 PolarHBondContact O-N 3.19Å; A228-C232 PolarHBondContact O-SG 2.79Å; A228-C232 VanDerWaalsContact O-SG 3.4Å; A228-G257 VanDerWaalsContact CB-O 3.31Å; A228-G257 WeakPolarHBondContact CB-O 3.49Å; A228-L260 HydrophobicContact CB-CB 4Å; A228-L261 HydrophobicContact CB-CB 4.37Å |
| 229 | L | 88.1 | Confident | 81.5 | Confident | 105 Ų | 105 | 49.3 Ų | 49.3 | 55% | 0.55 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 177.4 | -69.5 | 174.1 | 0 | 0 | 0 | 112 | L225 C226 S231 C232 Y233 | L225-L229 HydrophobicContact CD1-CG 4.44Å; L225-L229 HydrophobicContact CG-CD1 4.23Å; L225-L229 WeakPolarHBondContact O-CG 3.29Å; L225-L229 PolarHBondContact O-N 3.08Å; C226-L229 PolarHBondContact O-N 2.96Å; L229-S231 VanDerWaalsContact C-N 3.34Å; L229-C232 PolarHBondContact O-N 2.99Å; L229-Y233 WeakPolarHBondContact O-CB 3.43Å; L229-Y233 PolarHBondContact O-N 3.25Å |
| 230 | F | 86.6 | Confident | 80.6 | Confident | 84 Ų | 84 | 49.7 Ų | 49.7 | 37% | 0.368 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 172.9 | 173.6 | -95.7 | 0 | 0 | 0 | 111.5 | C226 L227 C232 Y233 F234 I327 A331 | C226-F230 WeakPolarHBondContact O-CB 3.47Å; C226-F230 PolarHBondContact O-N 3.4Å; L227-F230 PolarHBondContact O-N 3.46Å; F230-C232 PolarHBondContact O-N 3.06Å; F230-Y233 PolarHBondContact O-N 3.33Å; F230-F234 HydrophobicContact CE1-CB 4.49Å; F230-F234 HydrophobicContact CZ-CD2 4.45Å; F230-F234 WeakPolarHBondContact O-CB 3.41Å; F230-F234 PolarHBondContact O-N 3.44Å; F230-I327 HydrophobicContact CZ-CG2 4.04Å; F230-A331 HydrophobicContact CE1-CB 4Å |
| 231 | S | 86.8 | Confident | 79.8 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.007 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 179.9 | -46.5 | 0 | 0 | 0 | 0 | 111 | L227 A228 L229 F234 A235 E253 R335 | L227-S231 WeakPolarHBondContact O-CB 3.46Å; L227-S231 PolarHBondContact O-N 3.49Å; L227-S231 PolarHBondContact O-OG 2.83Å; A228-S231 WeakPolarHBondContact O-CB 3.5Å; A228-S231 PolarHBondContact O-N 2.97Å; L229-S231 VanDerWaalsContact C-N 3.34Å; S231-F234 PolarHBondContact O-N 3.25Å; S231-A235 VanDerWaalsContact O-CB 3.24Å; S231-A235 WeakPolarHBondContact O-CB 3.44Å; S231-A235 PolarHBondContact O-N 2.88Å; S231-E253 WeakPolarHBondContact CB-O 3.45Å; S231-E253 WeakPolarHBondContact CB-OE2 3.26Å; S231-R335 PolarHBondContact OG-NH1 3.01Å |
| 232 | C | 82.3 | Confident | 78.5 | Confident | 31 Ų | 31 | 55.3 Ų | 55.3 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 174.7 | -70.4 | 0 | 0 | 0 | 0 | 111.5 | A228 L229 F230 F234 A235 F236 | A228-C232 PolarHBondContact O-N 3.19Å; A228-C232 PolarHBondContact O-SG 2.79Å; A228-C232 VanDerWaalsContact O-SG 3.4Å; L229-C232 PolarHBondContact O-N 2.99Å; F230-C232 PolarHBondContact O-N 3.06Å; C232-F234 PolarHBondContact O-N 2.95Å; C232-A235 PolarHBondContact O-N 3.37Å; C232-F236 WeakPolarHBondContact O-CD2 3.39Å; C232-F236 PolarHBondContact O-N 2.97Å |
| 233 | Y | 84.1 | Confident | 77.2 | Confident | 140 Ų | 140 | 54.6 Ų | 54.6 | 55% | 0.549 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.1 | -48.8 | 178.1 | 172.8 | -97.4 | 0 | 0 | 0 | 111.6 | L229 F230 F236 Q237 | L229-Y233 WeakPolarHBondContact O-CB 3.43Å; L229-Y233 PolarHBondContact O-N 3.25Å; F230-Y233 PolarHBondContact O-N 3.33Å; Y233-F236 PolarHBondContact O-N 3.47Å; Y233-Q237 HydrophobicContact CD1-CG 4.33Å; Y233-Q237 HydrophobicContact CE1-CG 3.89Å; Y233-Q237 HydrophobicContact CE2-CG 4.28Å; Y233-Q237 WeakPolarHBondContact O-CG 3.31Å; Y233-Q237 PolarHBondContact O-N 2.48Å; Y233-Q237 PolarHBondContact OH-NE2 2.86Å |
| 234 | F | 79.6 | Confident | 75.6 | Confident | 23 Ų | 23 | 54.3 Ų | 54.3 | 10% | 0.101 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 179 | -171.6 | -99.9 | 0 | 0 | 0 | 111 | F230 S231 C232 F236 Q237 V238 E253 V324 I327 | F230-F234 HydrophobicContact CE1-CB 4.49Å; F230-F234 HydrophobicContact CZ-CD2 4.45Å; F230-F234 WeakPolarHBondContact O-CB 3.41Å; F230-F234 PolarHBondContact O-N 3.44Å; S231-F234 PolarHBondContact O-N 3.25Å; C232-F234 PolarHBondContact O-N 2.95Å; F234-F236 VanDerWaalsContact C-N 3.29Å; F234-F236 PolarHBondContact O-N 3.41Å; F234-Q237 PolarHBondContact O-N 3.47Å; F234-Q237 VanDerWaalsContact O-N 3.12Å; F234-V238 HydrophobicContact CD1-CG2 3.92Å; F234-V238 HydrophobicContact CE1-CG2 3.77Å; F234-V238 HydrophobicContact CG-CG2 4.43Å; F234-V238 HydrophobicContact CZ-CG2 4.13Å; F234-V238 WeakPolarHBondContact O-CB 3.45Å; F234-V238 WeakPolarHBondContact O-CG2 3.4Å; F234-V238 PolarHBondContact O-N 3.27Å; F234-E253 HydrophobicContact CD1-CG 4.01Å; F234-E253 HydrophobicContact CE1-CG 4.43Å; F234-V324 HydrophobicContact CE1-CG1 4.47Å; F234-V324 HydrophobicContact CZ-CG1 3.85Å; F234-I327 HydrophobicContact CD2-CG2 4.43Å; F234-I327 HydrophobicContact CE2-CB 4.49Å; F234-I327 HydrophobicContact CE2-CG2 3.89Å; F234-I327 HydrophobicContact CZ-CG2 4.29Å |
| 235 | A | 77 | Confident | 74.3 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 2% | 0.017 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.1 | -42.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S231 C232 V238 L239 M250 E253 L254 | S231-A235 VanDerWaalsContact O-CB 3.24Å; S231-A235 WeakPolarHBondContact O-CB 3.44Å; S231-A235 PolarHBondContact O-N 2.88Å; C232-A235 PolarHBondContact O-N 3.37Å; A235-V238 PolarHBondContact O-N 3.46Å; A235-L239 WeakPolarHBondContact O-CB 3.37Å; A235-L239 PolarHBondContact O-N 2.87Å; A235-M250 HydrophobicContact CB-CG 3.81Å; A235-M250 WeakPolarHBondContact O-CG 3.47Å; A235-E253 HydrophobicContact CB-CB 4.31Å; A235-L254 HydrophobicContact CB-CB 4.29Å; A235-L254 HydrophobicContact CB-CD1 3.97Å |
| 236 | F | 74.3 | Confident | 73.1 | Confident | 123 Ų | 123 | 53.7 Ų | 53.7 | 54% | 0.539 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.9 | -33.8 | 176.7 | -81.4 | -65 | 0 | 0 | 0 | 113.9 | C232 Y233 F234 V238 L239 | C232-F236 WeakPolarHBondContact O-CD2 3.39Å; C232-F236 PolarHBondContact O-N 2.97Å; Y233-F236 PolarHBondContact O-N 3.47Å; F234-F236 VanDerWaalsContact C-N 3.29Å; F234-F236 PolarHBondContact O-N 3.41Å; F236-V238 VanDerWaalsContact C-N 3.34Å; F236-L239 HydrophobicContact CD1-CD2 4.06Å; F236-L239 HydrophobicContact CE1-CD2 4.42Å; F236-L239 WeakPolarHBondContact O-CB 3.05Å; F236-L239 PolarHBondContact O-N 2.91Å |
| 237 | Q | 73.4 | Confident | 71.9 | Confident | 90 Ų | 90 | 50.2 Ų | 50.2 | 42% | 0.421 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65 | -44 | 172.5 | -68.5 | -62 | -16.8 | 0 | 0 | 110.7 | Y233 F234 L239 S240 | Y233-Q237 HydrophobicContact CD1-CG 4.33Å; Y233-Q237 HydrophobicContact CE1-CG 3.89Å; Y233-Q237 HydrophobicContact CE2-CG 4.28Å; Y233-Q237 WeakPolarHBondContact O-CG 3.31Å; Y233-Q237 PolarHBondContact O-N 2.48Å; Y233-Q237 PolarHBondContact OH-NE2 2.86Å; F234-Q237 PolarHBondContact O-N 3.47Å; F234-Q237 VanDerWaalsContact O-N 3.12Å; Q237-L239 VanDerWaalsContact C-N 3.3Å; Q237-L239 PolarHBondContact O-N 2.86Å; Q237-S240 WeakPolarHBondContact O-CB 3.32Å; Q237-S240 PolarHBondContact O-N 3.4Å; Q237-S240 PolarHBondContact O-OG 3.24Å |
| 238 | V | 67.7 | Low | 70.9 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.5 | -32.3 | 179.4 | 176 | 0 | 0 | 0 | 0 | 111.7 | F234 A235 F236 S240 L241 V246 M250 | F234-V238 HydrophobicContact CD1-CG2 3.92Å; F234-V238 HydrophobicContact CE1-CG2 3.77Å; F234-V238 HydrophobicContact CG-CG2 4.43Å; F234-V238 HydrophobicContact CZ-CG2 4.13Å; F234-V238 WeakPolarHBondContact O-CB 3.45Å; F234-V238 WeakPolarHBondContact O-CG2 3.4Å; F234-V238 PolarHBondContact O-N 3.27Å; A235-V238 PolarHBondContact O-N 3.46Å; F236-V238 VanDerWaalsContact C-N 3.34Å; V238-S240 PolarHBondContact O-N 2.89Å; V238-S240 VanDerWaalsContact O-N 3.16Å; V238-L241 WeakPolarHBondContact O-CB 3.26Å; V238-L241 PolarHBondContact O-N 3.36Å; V238-V246 HydrophobicContact CB-CG1 4.42Å; V238-V246 HydrophobicContact CG1-CB 4.45Å; V238-V246 HydrophobicContact CG1-CG1 3.18Å; V238-V246 WeakPolarHBondContact CG1-O 3.48Å; V238-M250 HydrophobicContact CB-CB 4.33Å; V238-M250 HydrophobicContact CG1-CB 3.82Å |
| 239 | L | 66.4 | Low | 70 | Confident | 30 Ų | 30 | 50.5 Ų | 50.5 | 16% | 0.157 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.4 | 174.6 | -168.9 | 80.5 | 0 | 0 | 0 | 113.2 | V118 R122 A235 F236 Q237 L241 M250 | V118-L239 HydrophobicContact CB-CD1 4.12Å; V118-L239 HydrophobicContact CG1-CD1 3.83Å; V118-L239 HydrophobicContact CG1-CD2 4.31Å; V118-L239 HydrophobicContact CG1-CG 4.13Å; V118-L239 HydrophobicContact CG2-CD1 3.81Å; V118-L239 HydrophobicContact CG2-CD2 3.71Å; V118-L239 HydrophobicContact CG2-CG 4.24Å; R122-L239 PolarHBondContact NH2-O 3.3Å; A235-L239 WeakPolarHBondContact O-CB 3.37Å; A235-L239 PolarHBondContact O-N 2.87Å; F236-L239 HydrophobicContact CD1-CD2 4.06Å; F236-L239 HydrophobicContact CE1-CD2 4.42Å; F236-L239 WeakPolarHBondContact O-CB 3.05Å; F236-L239 PolarHBondContact O-N 2.91Å; Q237-L239 VanDerWaalsContact C-N 3.3Å; Q237-L239 PolarHBondContact O-N 2.86Å; L239-L241 PolarHBondContact O-N 2.88Å; L239-M250 HydrophobicContact CB-SD 3.79Å; L239-M250 HydrophobicContact CD1-CE 3.81Å; L239-M250 HydrophobicContact CD1-SD 3.09Å; L239-M250 WeakPolarHBondContact CD1-SD 3.44Å; L239-M250 HydrophobicContact CG-SD 4.05Å |
| 240 | S | 61.9 | Low | 69.4 | Low | 89 Ų | 89 | 45.8 Ų | 45.8 | 62% | 0.622 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -19.3 | 177.4 | 71.8 | 0 | 0 | 0 | 0 | 112.8 | Q237 V238 | Q237-S240 WeakPolarHBondContact O-CB 3.32Å; Q237-S240 PolarHBondContact O-N 3.4Å; Q237-S240 PolarHBondContact O-OG 3.24Å; V238-S240 PolarHBondContact O-N 2.89Å; V238-S240 VanDerWaalsContact O-N 3.16Å |
| 241 | L | 61 | Low | 68.8 | Low | 30 Ų | 30 | 42 Ų | 42 | 16% | 0.157 | 22% | 0.22 | C | C | . | . | trans | -84.5 | 141.3 | -174.8 | -61 | 168.2 | 0 | 0 | 0 | 111.2 | R122 V238 L239 F243 V246 Y320 | R122-L241 PolarHBondContact NH2-O 3.43Å; V238-L241 WeakPolarHBondContact O-CB 3.26Å; V238-L241 PolarHBondContact O-N 3.36Å; L239-L241 PolarHBondContact O-N 2.88Å; L241-F243 VanDerWaalsContact C-N 3.33Å; L241-F243 HydrophobicContact CB-CD2 4.32Å; L241-F243 PolarHBondContact O-N 3.33Å; L241-V246 HydrophobicContact CB-CG1 3.93Å; L241-V246 HydrophobicContact CD1-CG1 3.73Å; L241-V246 HydrophobicContact CG-CG1 4.48Å; L241-Y320 HydrophobicContact CD1-CE1 3.83Å | ||
| 242 | P | 55.3 | Low | 68.4 | Low | 97 Ų | 97 | 42.2 Ų | 42.2 | 63% | 0.63 | 22% | 0.221 | S | C | * | . | trans | -82.8 | -4.4 | -175.9 | 31.8 | -35.2 | 0 | 0 | 0 | 114.3 | ||||
| 243 | F | 55.6 | Low | 68.3 | Low | 58 Ų | 58 | 40.8 Ų | 40.8 | 25% | 0.254 | 21% | 0.211 | S | C | . | . | trans | -84 | 140.1 | -168.7 | -51.7 | -66 | 0 | 0 | 0 | 113.6 | L241 Y245 V246 H247 I316 | L241-F243 VanDerWaalsContact C-N 3.33Å; L241-F243 HydrophobicContact CB-CD2 4.32Å; L241-F243 PolarHBondContact O-N 3.33Å; F243-Y245 HydrophobicContact CB-CD1 4.19Å; F243-Y245 HydrophobicContact CB-CE1 3.85Å; F243-Y245 HydrophobicContact CG-CE1 4.36Å; F243-V246 HydrophobicContact CB-CB 4.08Å; F243-V246 HydrophobicContact CB-CG2 3.68Å; F243-V246 HydrophobicContact CD2-CG2 4.26Å; F243-V246 HydrophobicContact CG-CG2 4.44Å; F243-V246 WeakPolarHBondContact O-CB 3.48Å; F243-V246 PolarHBondContact O-N 3.26Å; F243-H247 PolarHBondContact O-N 3.49Å; F243-I316 HydrophobicContact CE1-CD1 3.56Å; F243-I316 HydrophobicContact CE1-CG1 4.1Å; F243-I316 HydrophobicContact CZ-CD1 3.49Å; F243-I316 VanDerWaalsContact CZ-CD1 3.49Å; F243-I316 HydrophobicContact CZ-CG1 4.02Å | ||
| 244 | S | 52.6 | Low | 68.2 | Low | 61 Ų | 61 | 34.7 Ų | 34.7 | 43% | 0.427 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -68.3 | -42.6 | -174.4 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | V246 H247 | S244-V246 PolarHBondContact O-N 2.87Å; S244-H247 PolarHBondContact O-N 3.46Å |
| 245 | Y | 57.5 | Low | 68.4 | Low | 42 Ų | 42 | 33.8 Ų | 33.8 | 17% | 0.165 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.3 | -25.8 | 178.3 | 69.4 | -92.7 | 0 | 0 | 0 | 112.4 | F243 H247 T248 Y249 I307 D321 | F243-Y245 HydrophobicContact CB-CD1 4.19Å; F243-Y245 HydrophobicContact CB-CE1 3.85Å; F243-Y245 HydrophobicContact CG-CE1 4.36Å; Y245-H247 VanDerWaalsContact C-N 3.35Å; Y245-T248 PolarHBondContact O-N 2.75Å; Y245-Y249 HydrophobicContact CD2-CD2 4.47Å; Y245-Y249 HydrophobicContact CD2-CE2 4.05Å; Y245-I307 HydrophobicContact CD2-CD1 4.03Å; Y245-I307 HydrophobicContact CE2-CD1 3.82Å; Y245-D321 PolarHBondContact OH-OD1 2.94Å; Y245-D321 VanDerWaalsContact OH-OD1 3.06Å; Y245-D321 PolarHBondContact OH-OD2 3.35Å; Y245-D321 VanDerWaalsContact OH-OD2 3.05Å |
| 246 | V | 61.4 | Low | 68.8 | Low | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.03 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.2 | -31.6 | 178.9 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | V238 L241 F243 S244 T248 Y249 M250 | V238-V246 HydrophobicContact CB-CG1 4.42Å; V238-V246 HydrophobicContact CG1-CB 4.45Å; V238-V246 HydrophobicContact CG1-CG1 3.18Å; V238-V246 WeakPolarHBondContact CG1-O 3.48Å; L241-V246 HydrophobicContact CB-CG1 3.93Å; L241-V246 HydrophobicContact CD1-CG1 3.73Å; L241-V246 HydrophobicContact CG-CG1 4.48Å; F243-V246 HydrophobicContact CB-CB 4.08Å; F243-V246 HydrophobicContact CB-CG2 3.68Å; F243-V246 HydrophobicContact CD2-CG2 4.26Å; F243-V246 HydrophobicContact CG-CG2 4.44Å; F243-V246 WeakPolarHBondContact O-CB 3.48Å; F243-V246 PolarHBondContact O-N 3.26Å; S244-V246 PolarHBondContact O-N 2.87Å; V246-T248 VanDerWaalsContact C-N 3.34Å; V246-T248 PolarHBondContact O-N 2.98Å; V246-Y249 PolarHBondContact O-N 3.14Å; V246-M250 PolarHBondContact O-N 3.47Å; V246-M250 VanDerWaalsContact O-N 3.11Å |
| 247 | H | 64.7 | Low | 69.4 | Low | 10 Ų | 10 | 27.8 Ų | 27.8 | 5% | 0.046 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65 | -36.4 | 172.4 | -64 | 145.1 | 0 | 0 | 0 | 112.7 | R122 F243 S244 Y245 Y249 M250 I251 | R122-H247 PolarHBondContact NH1-CE1 2.95Å; R122-H247 PolarHBondContact NH1-NE2 3.44Å; R122-H247 PolarHBondContact NH2-NE2 2.98Å; F243-H247 PolarHBondContact O-N 3.49Å; S244-H247 PolarHBondContact O-N 3.46Å; Y245-H247 VanDerWaalsContact C-N 3.35Å; H247-Y249 VanDerWaalsContact C-N 3.27Å; H247-Y249 PolarHBondContact O-N 3.46Å; H247-M250 WeakPolarHBondContact O-CB 3.14Å; H247-M250 PolarHBondContact O-N 2.87Å; H247-I251 HydrophobicContact CB-CD1 4.47Å; H247-I251 VanDerWaalsContact O-CB 3.32Å; H247-I251 WeakPolarHBondContact O-CB 3.41Å; H247-I251 VanDerWaalsContact O-CD1 3.3Å; H247-I251 WeakPolarHBondContact O-CD1 3.42Å; H247-I251 WeakPolarHBondContact O-CG1 3.38Å; H247-I251 PolarHBondContact O-N 2.64Å |
| 248 | T | 66.1 | Low | 70.1 | Confident | 36 Ų | 36 | 24.4 Ų | 24.4 | 22% | 0.221 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.8 | -37.9 | 177.5 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | E68 Y245 V246 I251 Q252 | E68-T248 VanDerWaalsContact OE1-CA 3.31Å; E68-T248 WeakPolarHBondContact OE1-CA 3.36Å; E68-T248 WeakPolarHBondContact OE1-CB 3.37Å; E68-T248 PolarHBondContact OE1-OG1 3.35Å; Y245-T248 PolarHBondContact O-N 2.75Å; V246-T248 VanDerWaalsContact C-N 3.34Å; V246-T248 PolarHBondContact O-N 2.98Å; T248-I251 PolarHBondContact O-N 3.46Å; T248-Q252 VanDerWaalsContact O-CG 3.27Å; T248-Q252 WeakPolarHBondContact O-CG 3.36Å; T248-Q252 PolarHBondContact O-N 3.29Å; T248-Q252 VanDerWaalsContact O-N 3.09Å |
| 249 | Y | 68.4 | Low | 71 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.2 | -47.8 | 173.2 | -68 | -51.7 | 0 | 0 | 0 | 112.8 | Y245 V246 H247 I251 Q252 E253 I303 M325 | Y245-Y249 HydrophobicContact CD2-CD2 4.47Å; Y245-Y249 HydrophobicContact CD2-CE2 4.05Å; V246-Y249 PolarHBondContact O-N 3.14Å; H247-Y249 VanDerWaalsContact C-N 3.27Å; H247-Y249 PolarHBondContact O-N 3.46Å; Y249-I251 PolarHBondContact O-N 3.48Å; Y249-Q252 PolarHBondContact O-N 3.4Å; Y249-E253 WeakPolarHBondContact O-CB 3.36Å; Y249-E253 WeakPolarHBondContact O-CG 3.23Å; Y249-E253 PolarHBondContact O-N 2.88Å; Y249-I303 HydrophobicContact CE1-CD1 3.87Å; Y249-I303 HydrophobicContact CE2-CG2 4.21Å; Y249-I303 WeakPolarHBondContact OH-CB 3.39Å; Y249-I303 WeakPolarHBondContact OH-CG2 3.29Å; Y249-M325 HydrophobicContact CE2-CG 4.04Å; Y249-M325 HydrophobicContact CE2-SD 4.38Å; Y249-M325 WeakPolarHBondContact OH-CG 3.44Å; Y249-M325 PolarHBondContact OH-SD 3.14Å |
| 250 | M | 74.5 | Confident | 72.1 | Confident | 6 Ų | 6 | 23.1 Ų | 23.1 | 3% | 0.03 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -53.4 | -41.9 | 175.6 | 174.5 | -166.3 | 78.8 | 0 | 0 | 111.6 | V115 A235 V238 L239 V246 H247 E253 L254 | V115-M250 HydrophobicContact CG2-CE 4.03Å; A235-M250 HydrophobicContact CB-CG 3.81Å; A235-M250 WeakPolarHBondContact O-CG 3.47Å; V238-M250 HydrophobicContact CB-CB 4.33Å; V238-M250 HydrophobicContact CG1-CB 3.82Å; L239-M250 HydrophobicContact CB-SD 3.79Å; L239-M250 HydrophobicContact CD1-CE 3.81Å; L239-M250 HydrophobicContact CD1-SD 3.09Å; L239-M250 WeakPolarHBondContact CD1-SD 3.44Å; L239-M250 HydrophobicContact CG-SD 4.05Å; V246-M250 PolarHBondContact O-N 3.47Å; V246-M250 VanDerWaalsContact O-N 3.11Å; H247-M250 WeakPolarHBondContact O-CB 3.14Å; H247-M250 PolarHBondContact O-N 2.87Å; M250-E253 PolarHBondContact O-N 3.39Å; M250-L254 VanDerWaalsContact O-CB 3.28Å; M250-L254 WeakPolarHBondContact O-CB 3.35Å; M250-L254 PolarHBondContact O-N 2.72Å |
| 251 | I | 75 | Confident | 73.4 | Confident | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.015 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70.4 | -42.7 | -176.4 | -76.8 | 166 | 0 | 0 | 0 | 111.4 | E68 W71 V111 V115 H247 T248 Y249 E253 L254 L255 | E68-I251 HydrophobicContact CB-CD1 3.48Å; E68-I251 VanDerWaalsContact CB-CD1 3.48Å; E68-I251 HydrophobicContact CG-CD1 3.24Å; E68-I251 WeakPolarHBondContact OE2-CD1 2.97Å; W71-I251 HydrophobicContact CH2-CB 4.44Å; W71-I251 HydrophobicContact CH2-CG2 3.08Å; W71-I251 HydrophobicContact CZ2-CG2 3.23Å; W71-I251 HydrophobicContact CZ3-CG2 4.03Å; V111-I251 HydrophobicContact CG1-CB 4.35Å; V111-I251 HydrophobicContact CG1-CG1 4.19Å; V111-I251 HydrophobicContact CG1-CG2 3.93Å; V115-I251 HydrophobicContact CG1-CD1 4.46Å; V115-I251 HydrophobicContact CG2-CD1 3.56Å; V115-I251 HydrophobicContact CG2-CG1 3.61Å; H247-I251 HydrophobicContact CB-CD1 4.47Å; H247-I251 VanDerWaalsContact O-CB 3.32Å; H247-I251 WeakPolarHBondContact O-CB 3.41Å; H247-I251 VanDerWaalsContact O-CD1 3.3Å; H247-I251 WeakPolarHBondContact O-CD1 3.42Å; H247-I251 WeakPolarHBondContact O-CG1 3.38Å; H247-I251 PolarHBondContact O-N 2.64Å; T248-I251 PolarHBondContact O-N 3.46Å; Y249-I251 PolarHBondContact O-N 3.48Å; I251-E253 VanDerWaalsContact C-N 3.34Å; I251-L254 PolarHBondContact O-N 2.83Å; I251-L255 WeakPolarHBondContact O-CB 3.5Å; I251-L255 PolarHBondContact O-N 3.47Å |
| 252 | Q | 76.5 | Confident | 74.8 | Confident | 7 Ų | 7 | 22 Ų | 22 | 3% | 0.033 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.8 | -48 | 172.3 | -71.6 | 171.5 | 18.4 | 0 | 0 | 110.9 | T248 Y249 L255 C256 Y296 N299 | T248-Q252 VanDerWaalsContact O-CG 3.27Å; T248-Q252 WeakPolarHBondContact O-CG 3.36Å; T248-Q252 PolarHBondContact O-N 3.29Å; T248-Q252 VanDerWaalsContact O-N 3.09Å; Y249-Q252 PolarHBondContact O-N 3.4Å; Q252-L255 PolarHBondContact O-N 3.46Å; Q252-C256 WeakPolarHBondContact O-CB 3.26Å; Q252-C256 PolarHBondContact O-N 2.91Å; Q252-C256 PolarHBondContact O-SG 2.8Å; Q252-Y296 HydrophobicContact CB-CD2 3.7Å; Q252-Y296 HydrophobicContact CB-CE2 3.87Å; Q252-Y296 HydrophobicContact CB-CG 4.05Å; Q252-Y296 HydrophobicContact CG-CD1 3.81Å; Q252-Y296 HydrophobicContact CG-CD2 3.87Å; Q252-Y296 HydrophobicContact CG-CE1 3.86Å; Q252-Y296 HydrophobicContact CG-CE2 3.89Å; Q252-Y296 HydrophobicContact CG-CG 3.84Å; Q252-N299 PolarHBondContact NE2-ND2 2.79Å |
| 253 | E | 80.5 | Confident | 76.4 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 178.9 | -78.5 | -64.2 | 152.5 | 0 | 0 | 112.5 | S231 F234 A235 Y249 M250 I251 C256 G257 N328 H332 R335 | S231-E253 WeakPolarHBondContact CB-O 3.45Å; S231-E253 WeakPolarHBondContact CB-OE2 3.26Å; F234-E253 HydrophobicContact CD1-CG 4.01Å; F234-E253 HydrophobicContact CE1-CG 4.43Å; A235-E253 HydrophobicContact CB-CB 4.31Å; Y249-E253 WeakPolarHBondContact O-CB 3.36Å; Y249-E253 WeakPolarHBondContact O-CG 3.23Å; Y249-E253 PolarHBondContact O-N 2.88Å; M250-E253 PolarHBondContact O-N 3.39Å; I251-E253 VanDerWaalsContact C-N 3.34Å; E253-C256 PolarHBondContact O-N 2.91Å; E253-G257 PolarHBondContact O-N 2.88Å; E253-N328 WeakPolarHBondContact CG-OD1 3.41Å; E253-N328 PolarHBondContact OE1-OD1 3.04Å; E253-H332 IonicContact OE1-CD2 3.4Å; E253-H332 IonicContact OE1-CE1 2.99Å; E253-H332 IonicContact OE1-NE2 2.77Å; E253-H332 PolarHBondContact OE1-NE2 3.48Å; E253-R335 IonicContact OE1-CZ 2.96Å; E253-R335 IonicContact OE1-NH1 2.66Å; E253-R335 IonicContact OE1-NH2 3.99Å; E253-R335 PolarHBondContact OE1-NH2 3.49Å; E253-R335 IonicContact OE2-CZ 3.4Å; E253-R335 IonicContact OE2-NH1 4Å; E253-R335 PolarHBondContact OE2-NH1 3.24Å; E253-R335 IonicContact OE2-NH2 3.49Å; E253-R335 PolarHBondContact OE2-NH2 3.29Å |
| 254 | L | 83.7 | Confident | 78 | Confident | 12 Ų | 12 | 14.8 Ų | 14.8 | 6% | 0.063 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.8 | -42.3 | 178.7 | -158.9 | 78 | 0 | 0 | 0 | 111.1 | V111 V114 A235 M250 I251 G257 L258 | V111-L254 HydrophobicContact CB-CD2 4.2Å; V111-L254 HydrophobicContact CG1-CB 4.41Å; V111-L254 HydrophobicContact CG1-CD2 4.06Å; V111-L254 HydrophobicContact CG2-CB 4.18Å; V111-L254 HydrophobicContact CG2-CD2 3.97Å; V111-L254 HydrophobicContact CG2-CG 4.16Å; V114-L254 HydrophobicContact CB-CD2 4.19Å; V114-L254 HydrophobicContact CG1-CD2 4.29Å; V114-L254 HydrophobicContact CG2-CD2 4.33Å; A235-L254 HydrophobicContact CB-CB 4.29Å; A235-L254 HydrophobicContact CB-CD1 3.97Å; M250-L254 VanDerWaalsContact O-CB 3.28Å; M250-L254 WeakPolarHBondContact O-CB 3.35Å; M250-L254 PolarHBondContact O-N 2.72Å; I251-L254 PolarHBondContact O-N 2.83Å; L254-G257 PolarHBondContact O-N 3.16Å; L254-L258 HydrophobicContact CG-CD1 4.18Å; L254-L258 WeakPolarHBondContact O-CB 3.26Å; L254-L258 VanDerWaalsContact O-CG 3.24Å; L254-L258 WeakPolarHBondContact O-CG 3.27Å; L254-L258 PolarHBondContact O-N 3.19Å |
| 255 | L | 83.8 | Confident | 79.8 | Confident | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.2 | -45.9 | 177.1 | -173.9 | 70.6 | 0 | 0 | 0 | 111.1 | W71 A107 V111 I251 Q252 L258 T259 | W71-L255 HydrophobicContact CE3-CD2 3.62Å; W71-L255 HydrophobicContact CH2-CB 3.62Å; W71-L255 HydrophobicContact CH2-CD1 4.35Å; W71-L255 HydrophobicContact CH2-CD2 3.82Å; W71-L255 HydrophobicContact CH2-CG 4.1Å; W71-L255 HydrophobicContact CZ3-CB 3.82Å; W71-L255 HydrophobicContact CZ3-CD1 4.42Å; W71-L255 HydrophobicContact CZ3-CD2 3.15Å; W71-L255 HydrophobicContact CZ3-CG 3.93Å; A107-L255 HydrophobicContact CB-CD1 3.83Å; V111-L255 HydrophobicContact CG2-CB 4.05Å; V111-L255 HydrophobicContact CG2-CD1 4.07Å; I251-L255 WeakPolarHBondContact O-CB 3.5Å; I251-L255 PolarHBondContact O-N 3.47Å; Q252-L255 PolarHBondContact O-N 3.46Å; L255-L258 PolarHBondContact O-N 2.84Å; L255-T259 WeakPolarHBondContact O-CB 3.4Å; L255-T259 WeakPolarHBondContact O-CG2 3.34Å; L255-T259 PolarHBondContact O-N 3.27Å; L255-T259 PolarHBondContact O-OG1 3.05Å |
| 256 | C | 84.1 | Confident | 81.2 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 176.9 | -77.5 | 0 | 0 | 0 | 0 | 111.9 | Q252 E253 T259 L260 Q289 Q292 E293 Y296 R335 | Q252-C256 WeakPolarHBondContact O-CB 3.26Å; Q252-C256 PolarHBondContact O-N 2.91Å; Q252-C256 PolarHBondContact O-SG 2.8Å; E253-C256 PolarHBondContact O-N 2.91Å; C256-T259 VanDerWaalsContact CA-OG1 3.29Å; C256-T259 WeakPolarHBondContact CA-OG1 3.49Å; C256-T259 PolarHBondContact O-N 2.99Å; C256-T259 PolarHBondContact O-OG1 3.42Å; C256-L260 WeakPolarHBondContact O-CG 3.25Å; C256-L260 PolarHBondContact O-N 3.36Å; C256-Q289 PolarHBondContact O-NE2 3.37Å; C256-Q292 PolarHBondContact SG-NE2 2.99Å; C256-E293 WeakPolarHBondContact CB-OE1 3.37Å; C256-E293 PolarHBondContact SG-OE1 3.12Å; C256-Y296 VanDerWaalsContact SG-CD2 3.52Å; C256-R335 VanDerWaalsContact CB-NH1 3.3Å |
| 257 | G | 86.4 | Confident | 82.5 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61 | -46.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A228 E253 L254 L260 L261 | A228-G257 VanDerWaalsContact CB-O 3.31Å; A228-G257 WeakPolarHBondContact CB-O 3.49Å; E253-G257 PolarHBondContact O-N 2.88Å; L254-G257 PolarHBondContact O-N 3.16Å; G257-L260 PolarHBondContact O-N 2.86Å; G257-L261 PolarHBondContact O-N 3.29Å |
| 258 | L | 89 | Confident | 83.4 | Confident | 18 Ų | 18 | 18.6 Ų | 18.6 | 9% | 0.094 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.6 | -38.4 | -179.7 | -72.3 | 174.5 | 0 | 0 | 0 | 112.9 | A107 Q110 V111 L254 L255 L260 L261 L262 | A107-L258 HydrophobicContact CB-CB 4.1Å; Q110-L258 HydrophobicContact CB-CD1 3.72Å; V111-L258 HydrophobicContact CG2-CD1 3.77Å; L254-L258 HydrophobicContact CG-CD1 4.18Å; L254-L258 WeakPolarHBondContact O-CB 3.26Å; L254-L258 VanDerWaalsContact O-CG 3.24Å; L254-L258 WeakPolarHBondContact O-CG 3.27Å; L254-L258 PolarHBondContact O-N 3.19Å; L255-L258 PolarHBondContact O-N 2.84Å; L258-L260 VanDerWaalsContact C-N 3.35Å; L258-L261 WeakPolarHBondContact O-CB 3.43Å; L258-L261 PolarHBondContact O-N 2.94Å; L258-L262 WeakPolarHBondContact O-CG 3.32Å; L258-L262 PolarHBondContact O-N 3.34Å |
| 259 | T | 87.2 | Confident | 84.3 | Confident | 5 Ų | 5 | 19.8 Ų | 19.8 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.4 | -39.9 | 174.2 | 43.4 | 0 | 0 | 0 | 0 | 111.4 | Y104 A107 L255 C256 L262 Q263 Q289 | Y104-T259 HydrophobicContact CD1-CG2 4.1Å; Y104-T259 HydrophobicContact CE1-CG2 3.8Å; A107-T259 HydrophobicContact CB-CG2 3.96Å; L255-T259 WeakPolarHBondContact O-CB 3.4Å; L255-T259 WeakPolarHBondContact O-CG2 3.34Å; L255-T259 PolarHBondContact O-N 3.27Å; L255-T259 PolarHBondContact O-OG1 3.05Å; C256-T259 VanDerWaalsContact CA-OG1 3.29Å; C256-T259 WeakPolarHBondContact CA-OG1 3.49Å; C256-T259 PolarHBondContact O-N 2.99Å; C256-T259 PolarHBondContact O-OG1 3.42Å; T259-L262 PolarHBondContact O-N 3.32Å; T259-Q263 WeakPolarHBondContact O-CG 3.48Å; T259-Q263 PolarHBondContact O-N 3.49Å; T259-Q289 VanDerWaalsContact CB-OE1 3.26Å; T259-Q289 PolarHBondContact OG1-NE2 3.33Å; T259-Q289 VanDerWaalsContact OG1-NE2 3.1Å; T259-Q289 PolarHBondContact OG1-OE1 2.99Å |
| 260 | L | 88.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.8 | -38.2 | 171.6 | -72.5 | -170.4 | 0 | 0 | 0 | 113.2 | L224 L227 A228 C256 G257 L258 L262 Q263 T264 Q289 R335 T339 | L224-L260 HydrophobicContact CD2-CD1 4.39Å; L224-L260 HydrophobicContact CD2-CD2 3.73Å; L227-L260 HydrophobicContact CB-CD1 3.94Å; A228-L260 HydrophobicContact CB-CB 4Å; C256-L260 WeakPolarHBondContact O-CG 3.25Å; C256-L260 PolarHBondContact O-N 3.36Å; G257-L260 PolarHBondContact O-N 2.86Å; L258-L260 VanDerWaalsContact C-N 3.35Å; L260-L262 VanDerWaalsContact C-N 3.35Å; L260-Q263 PolarHBondContact O-N 2.96Å; L260-T264 WeakPolarHBondContact O-CB 3.32Å; L260-T264 PolarHBondContact O-N 3.38Å; L260-T264 PolarHBondContact O-OG1 3.43Å; L260-Q289 HydrophobicContact CD2-CG 4.09Å; L260-R335 VanDerWaalsContact CD1-CD 3.42Å; L260-R335 HydrophobicContact CD1-CG 3.84Å; L260-T339 HydrophobicContact CD2-CG2 4.11Å |
| 261 | L | 90.3 | Very high | 85.2 | Confident | 66 Ų | 66 | 21 Ų | 21 | 35% | 0.346 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -60.1 | -46.8 | 173.8 | -167.9 | 86.6 | 0 | 0 | 0 | 110.5 | L225 A228 G257 L258 Q263 T264 V265 | L225-L261 HydrophobicContact CD1-CD1 3.86Å; A228-L261 HydrophobicContact CB-CB 4.37Å; G257-L261 PolarHBondContact O-N 3.29Å; L258-L261 WeakPolarHBondContact O-CB 3.43Å; L258-L261 PolarHBondContact O-N 2.94Å; L261-Q263 VanDerWaalsContact C-N 3.34Å; L261-Q263 PolarHBondContact O-N 3.4Å; L261-T264 WeakPolarHBondContact O-CB 3.25Å; L261-T264 PolarHBondContact O-N 3.24Å; L261-T264 VanDerWaalsContact O-N 3.17Å; L261-V265 WeakPolarHBondContact O-CG2 3.46Å; L261-V265 PolarHBondContact O-N 2.92Å |
| 262 | L | 89.7 | Confident | 85.3 | Confident | 29 Ų | 29 | 28.3 Ų | 28.3 | 15% | 0.152 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 176.8 | -70.9 | 172.5 | 0 | 0 | 0 | 112.1 | L103 F106 A107 L258 T259 L260 T264 V265 L266 | L103-L262 HydrophobicContact CB-CD1 4.27Å; L103-L262 HydrophobicContact CD2-CB 4.38Å; L103-L262 HydrophobicContact CD2-CD1 4.28Å; L103-L262 HydrophobicContact CD2-CD2 4.1Å; L103-L262 HydrophobicContact CD2-CG 4.5Å; L103-L262 VanDerWaalsContact O-CD1 3.23Å; L103-L262 WeakPolarHBondContact O-CD1 3.42Å; F106-L262 HydrophobicContact CD1-CD1 4.44Å; F106-L262 HydrophobicContact CD1-CD2 4.05Å; A107-L262 HydrophobicContact CB-CD1 4.07Å; L258-L262 WeakPolarHBondContact O-CG 3.32Å; L258-L262 PolarHBondContact O-N 3.34Å; T259-L262 PolarHBondContact O-N 3.32Å; L260-L262 VanDerWaalsContact C-N 3.35Å; L262-T264 VanDerWaalsContact C-N 3.35Å; L262-V265 PolarHBondContact O-N 3.41Å; L262-L266 PolarHBondContact O-N 3.43Å |
| 263 | Q | 89.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.8 | -41.8 | 173.9 | -72 | 177 | 12.5 | 0 | 0 | 111.8 | L224 T259 L260 L261 L266 Q267 L285 | L224-Q263 HydrophobicContact CD1-CB 4.35Å; T259-Q263 WeakPolarHBondContact O-CG 3.48Å; T259-Q263 PolarHBondContact O-N 3.49Å; L260-Q263 PolarHBondContact O-N 2.96Å; L261-Q263 VanDerWaalsContact C-N 3.34Å; L261-Q263 PolarHBondContact O-N 3.4Å; Q263-L266 PolarHBondContact O-N 2.93Å; Q263-Q267 WeakPolarHBondContact O-CG 3.48Å; Q263-Q267 PolarHBondContact O-N 3Å; Q263-L285 HydrophobicContact CG-CB 4.17Å; Q263-L285 PolarHBondContact NE2-O 2.87Å |
| 264 | T | 89.2 | Confident | 84.9 | Confident | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 177.2 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | G221 L224 L225 L260 L261 L262 L266 Q267 F268 | G221-T264 WeakPolarHBondContact O-CG2 3.34Å; L224-T264 WeakPolarHBondContact CB-OG1 3.46Å; L225-T264 HydrophobicContact CB-CG2 4.05Å; L225-T264 HydrophobicContact CD1-CG2 4.48Å; L260-T264 WeakPolarHBondContact O-CB 3.32Å; L260-T264 PolarHBondContact O-N 3.38Å; L260-T264 PolarHBondContact O-OG1 3.43Å; L261-T264 WeakPolarHBondContact O-CB 3.25Å; L261-T264 PolarHBondContact O-N 3.24Å; L261-T264 VanDerWaalsContact O-N 3.17Å; L262-T264 VanDerWaalsContact C-N 3.35Å; T264-L266 VanDerWaalsContact C-N 3.32Å; T264-L266 PolarHBondContact O-N 3.18Å; T264-Q267 WeakPolarHBondContact O-CB 3.16Å; T264-Q267 PolarHBondContact O-N 3.09Å; T264-F268 HydrophobicContact CG2-CD2 4.23Å; T264-F268 HydrophobicContact CG2-CE2 4.42Å; T264-F268 PolarHBondContact O-N 3.27Å |
| 265 | V | 89.8 | Confident | 84.6 | Confident | 79 Ų | 79 | 34.3 Ų | 34.3 | 48% | 0.479 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 175.7 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | L261 L262 Q267 F268 I269 | L261-V265 WeakPolarHBondContact O-CG2 3.46Å; L261-V265 PolarHBondContact O-N 2.92Å; L262-V265 PolarHBondContact O-N 3.41Å; V265-Q267 VanDerWaalsContact C-N 3.35Å; V265-Q267 PolarHBondContact O-N 2.94Å; V265-F268 PolarHBondContact O-N 2.97Å; V265-I269 HydrophobicContact CG1-CD1 4.09Å; V265-I269 WeakPolarHBondContact O-CG1 3.4Å; V265-I269 PolarHBondContact O-N 2.99Å |
| 266 | L | 88.1 | Confident | 84.1 | Confident | 18 Ų | 18 | 39 Ų | 39 | 9% | 0.094 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.9 | -38.8 | 177.2 | -173.9 | 61 | 0 | 0 | 0 | 112.2 | L262 Q263 T264 I269 L270 L278 V281 M282 L285 | L262-L266 PolarHBondContact O-N 3.43Å; Q263-L266 PolarHBondContact O-N 2.93Å; T264-L266 VanDerWaalsContact C-N 3.32Å; T264-L266 PolarHBondContact O-N 3.18Å; L266-I269 PolarHBondContact O-N 3.34Å; L266-L270 HydrophobicContact CG-CD1 4.14Å; L266-L270 WeakPolarHBondContact O-CB 3.5Å; L266-L270 WeakPolarHBondContact O-CG 3.3Å; L266-L270 PolarHBondContact O-N 3.4Å; L266-L278 HydrophobicContact CD1-CB 4.5Å; L266-L278 HydrophobicContact CD1-CD2 4.48Å; L266-V281 HydrophobicContact CD2-CG1 4.25Å; L266-M282 HydrophobicContact CB-SD 4.38Å; L266-M282 HydrophobicContact CD2-CB 3.83Å; L266-M282 HydrophobicContact CD2-CG 4.17Å; L266-M282 HydrophobicContact CD2-SD 4.25Å; L266-M282 HydrophobicContact CG-SD 4.13Å; L266-L285 HydrophobicContact CD2-CD1 3.78Å |
| 267 | Q | 86.9 | Confident | 83.9 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 173.8 | -75.6 | -176.6 | 11.3 | 0 | 0 | 111.5 | F217 L224 Q263 T264 V265 I269 L270 V271 M282 | F217-Q267 HydrophobicContact CB-CB 4.42Å; F217-Q267 HydrophobicContact CD1-CG 4.11Å; F217-Q267 PolarHBondContact O-OE1 3.47Å; L224-Q267 VanDerWaalsContact CD1-NE2 3.33Å; Q263-Q267 WeakPolarHBondContact O-CG 3.48Å; Q263-Q267 PolarHBondContact O-N 3Å; T264-Q267 WeakPolarHBondContact O-CB 3.16Å; T264-Q267 PolarHBondContact O-N 3.09Å; V265-Q267 VanDerWaalsContact C-N 3.35Å; V265-Q267 PolarHBondContact O-N 2.94Å; Q267-I269 PolarHBondContact O-N 3.01Å; Q267-L270 WeakPolarHBondContact O-CB 3.31Å; Q267-L270 PolarHBondContact O-N 3.49Å; Q267-L270 VanDerWaalsContact O-N 3.16Å; Q267-V271 WeakPolarHBondContact O-CG2 3.41Å; Q267-V271 PolarHBondContact O-N 3.33Å; Q267-M282 HydrophobicContact CB-SD 4.24Å; Q267-M282 HydrophobicContact CG-CE 3.51Å; Q267-M282 HydrophobicContact CG-SD 3.26Å; Q267-M282 WeakPolarHBondContact CG-SD 3.44Å |
| 268 | F | 84.3 | Confident | 83.8 | Confident | 100 Ų | 100 | 39.4 Ų | 39.4 | 44% | 0.439 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 176 | -98.4 | -76.2 | 0 | 0 | 0 | 112.1 | T264 V265 L270 V271 F272 | T264-F268 HydrophobicContact CG2-CD2 4.23Å; T264-F268 HydrophobicContact CG2-CE2 4.42Å; T264-F268 PolarHBondContact O-N 3.27Å; V265-F268 PolarHBondContact O-N 2.97Å; F268-L270 VanDerWaalsContact C-N 3.28Å; F268-L270 PolarHBondContact O-N 3Å; F268-V271 WeakPolarHBondContact O-CB 3.42Å; F268-V271 PolarHBondContact O-N 3.37Å; F268-F272 HydrophobicContact CD1-CE2 4.14Å; F268-F272 WeakPolarHBondContact O-CD2 3.29Å; F268-F272 PolarHBondContact O-N 2.99Å |
| 269 | I | 84.3 | Confident | 83.5 | Confident | 61 Ų | 61 | 38.9 Ų | 38.9 | 31% | 0.313 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59 | -43.6 | 175.5 | -67 | 167.2 | 0 | 0 | 0 | 110.6 | V265 L266 Q267 V271 F272 R273 | V265-I269 HydrophobicContact CG1-CD1 4.09Å; V265-I269 WeakPolarHBondContact O-CG1 3.4Å; V265-I269 PolarHBondContact O-N 2.99Å; L266-I269 PolarHBondContact O-N 3.34Å; Q267-I269 PolarHBondContact O-N 3.01Å; I269-V271 VanDerWaalsContact C-N 3.33Å; I269-V271 PolarHBondContact O-N 3.23Å; I269-F272 PolarHBondContact O-N 2.96Å; I269-R273 PolarHBondContact O-N 3.08Å |
| 270 | L | 82 | Confident | 83.2 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.3 | -27.1 | -179.9 | -78.4 | 169.8 | 0 | 0 | 0 | 113.9 | L209 F217 L266 Q267 F268 P274 N275 L278 L279 M282 | L209-L270 WeakPolarHBondContact CD1-O 3.33Å; F217-L270 HydrophobicContact CD2-CB 4.44Å; F217-L270 HydrophobicContact CE2-CB 4.09Å; L266-L270 HydrophobicContact CG-CD1 4.14Å; L266-L270 WeakPolarHBondContact O-CB 3.5Å; L266-L270 WeakPolarHBondContact O-CG 3.3Å; L266-L270 PolarHBondContact O-N 3.4Å; Q267-L270 WeakPolarHBondContact O-CB 3.31Å; Q267-L270 PolarHBondContact O-N 3.49Å; Q267-L270 VanDerWaalsContact O-N 3.16Å; F268-L270 VanDerWaalsContact C-N 3.28Å; F268-L270 PolarHBondContact O-N 3Å; L270-P274 WeakPolarHBondContact O-CA 3.32Å; L270-N275 HydrophobicContact CD2-CB 4.45Å; L270-L278 HydrophobicContact CD2-CB 3.67Å; L270-L278 HydrophobicContact CG-CB 4.36Å; L270-L279 HydrophobicContact CD1-CD2 3.98Å; L270-L279 HydrophobicContact CD1-CG 4.37Å; L270-L279 HydrophobicContact CD2-CD2 4.31Å; L270-L279 HydrophobicContact CD2-CG 4Å; L270-M282 HydrophobicContact CD1-CB 4.22Å; L270-M282 HydrophobicContact CD1-CE 3.55Å; L270-M282 HydrophobicContact CD1-SD 3.6Å; L270-M282 VanDerWaalsContact CD1-SD 3.6Å |
| 271 | V | 80.5 | Confident | 83.1 | Confident | 32 Ų | 32 | 40.9 Ų | 40.9 | 19% | 0.194 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 172.1 | 164.9 | 0 | 0 | 0 | 0 | 110.6 | T214 F217 Q267 F268 I269 | T214-V271 HydrophobicContact CG2-CG1 3.96Å; T214-V271 HydrophobicContact CG2-CG2 4.48Å; F217-V271 HydrophobicContact CB-CG2 3.52Å; F217-V271 HydrophobicContact CD2-CG2 4.04Å; F217-V271 HydrophobicContact CG-CG2 4.28Å; Q267-V271 WeakPolarHBondContact O-CG2 3.41Å; Q267-V271 PolarHBondContact O-N 3.33Å; F268-V271 WeakPolarHBondContact O-CB 3.42Å; F268-V271 PolarHBondContact O-N 3.37Å; I269-V271 VanDerWaalsContact C-N 3.33Å; I269-V271 PolarHBondContact O-N 3.23Å |
| 272 | F | 77.2 | Confident | 82.9 | Confident | 157 Ų | 157 | 37.7 Ų | 37.7 | 69% | 0.689 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -82.7 | -33.7 | -178.5 | -63.9 | -70.1 | 0 | 0 | 0 | 113.1 | F268 I269 | F268-F272 HydrophobicContact CD1-CE2 4.14Å; F268-F272 WeakPolarHBondContact O-CD2 3.29Å; F268-F272 PolarHBondContact O-N 2.99Å; I269-F272 PolarHBondContact O-N 2.96Å |
| 273 | R | 75.6 | Confident | 82.6 | Confident | 125 Ų | 125 | 37.7 Ų | 37.7 | 47% | 0.472 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -135.9 | 78.4 | -176.4 | -67.9 | -161.1 | -179.1 | -169.5 | 2.7 | 111.2 | L201 Y206 I269 N275 | L201-R273 HydrophobicContact CD2-CB 3.8Å; Y206-R273 HydrophobicContact CE1-CB 3.92Å; Y206-R273 HydrophobicContact CE1-CG 3.96Å; I269-R273 PolarHBondContact O-N 3.08Å; R273-N275 PolarHBondContact O-N 2.72Å |
| 274 | P | 72.4 | Confident | 82.2 | Confident | 18 Ų | 18 | 39.9 Ų | 39.9 | 12% | 0.117 | 19% | 0.186 | C | C | . | . | trans | -63.6 | 125.5 | 179.4 | 18.8 | -28.7 | 0 | 0 | 0 | 112.6 | Y206 T207 L209 L270 | Y206-P274 WeakPolarHBondContact CA-O 3.28Å; T207-P274 PolarHBondContact N-O 2.71Å; T207-P274 VanDerWaalsContact O-CB 3.25Å; T207-P274 WeakPolarHBondContact O-CB 3.4Å; T207-P274 WeakPolarHBondContact O-CG 3.41Å; L209-P274 HydrophobicContact CD1-CB 3.47Å; L209-P274 VanDerWaalsContact CD1-CB 3.47Å; L209-P274 HydrophobicContact CD1-CG 3.91Å; L209-P274 HydrophobicContact CD2-CB 4.47Å; L209-P274 HydrophobicContact CG-CB 3.55Å; L209-P274 HydrophobicContact CG-CG 4.05Å; L270-P274 WeakPolarHBondContact O-CA 3.32Å | ||
| 275 | N | 77.1 | Confident | 82 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.011 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -137.4 | 126 | -176.9 | -174.1 | -58.9 | 0 | 0 | 0 | 109.6 | A200 Y204 L270 R273 L277 L278 L279 | A200-N275 VanDerWaalsContact C-ND2 3.26Å; A200-N275 PolarHBondContact O-ND2 3.08Å; Y204-N275 WeakPolarHBondContact CB-ND2 3.25Å; L270-N275 HydrophobicContact CD2-CB 4.45Å; R273-N275 PolarHBondContact O-N 2.72Å; N275-L277 VanDerWaalsContact C-N 3.28Å; N275-L277 PolarHBondContact O-N 3.1Å; N275-L277 VanDerWaalsContact OD1-CB 3.3Å; N275-L277 WeakPolarHBondContact OD1-CB 3.35Å; N275-L277 PolarHBondContact OD1-N 3.41Å; N275-L278 HydrophobicContact CB-CB 4.07Å; N275-L278 HydrophobicContact CB-CD1 3.98Å; N275-L278 HydrophobicContact CB-CG 4.06Å; N275-L278 PolarHBondContact O-N 2.88Å; N275-L278 PolarHBondContact OD1-N 3.43Å; N275-L279 WeakPolarHBondContact O-CB 3.3Å; N275-L279 WeakPolarHBondContact O-CG 3.22Å; N275-L279 PolarHBondContact O-N 3.48Å |
| 276 | R | 75.1 | Confident | 81.7 | Confident | 102 Ų | 102 | 36.2 Ų | 36.2 | 39% | 0.385 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.2 | -37.3 | -175.8 | -164.9 | 179.7 | -174.9 | -170.1 | 1.3 | 112.5 | T207 L279 K280 L350 | T207-R276 HydrophobicContact CG2-CB 4.17Å; R276-L279 PolarHBondContact O-N 2.81Å; R276-K280 WeakPolarHBondContact O-CG 3.36Å; R276-K280 PolarHBondContact O-N 3.14Å; R276-K280 VanDerWaalsContact O-N 3.11Å; R276-L350 HydrophobicContact CG-CD2 3.74Å |
| 277 | L | 79 | Confident | 81.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.4 | -45.7 | 179.1 | -173.1 | 63.3 | 0 | 0 | 0 | 111 | F25 E92 F95 I96 A200 Y204 N275 L279 K280 V281 | F25-L277 HydrophobicContact CE1-CD2 4.46Å; F25-L277 HydrophobicContact CZ-CD2 4.27Å; E92-L277 HydrophobicContact CG-CD1 3.31Å; E92-L277 VanDerWaalsContact OE1-CD1 3.26Å; E92-L277 WeakPolarHBondContact OE1-CD1 3.23Å; F95-L277 HydrophobicContact CD1-CD1 3.89Å; F95-L277 HydrophobicContact CD1-CD2 3.47Å; F95-L277 VanDerWaalsContact CD1-CD2 3.47Å; F95-L277 HydrophobicContact CD1-CG 3.69Å; F95-L277 HydrophobicContact CD2-CD2 4.39Å; F95-L277 HydrophobicContact CE1-CD1 4.4Å; F95-L277 HydrophobicContact CE1-CD2 3.36Å; F95-L277 HydrophobicContact CE1-CG 3.69Å; F95-L277 HydrophobicContact CE2-CD2 4.28Å; F95-L277 HydrophobicContact CG-CD2 4.01Å; F95-L277 HydrophobicContact CZ-CD2 3.78Å; I96-L277 HydrophobicContact CD1-CD1 4.36Å; I96-L277 HydrophobicContact CG1-CD1 4Å; A200-L277 HydrophobicContact CB-CD2 4.16Å; Y204-L277 HydrophobicContact CD1-CB 4.44Å; Y204-L277 HydrophobicContact CD2-CB 4.43Å; Y204-L277 HydrophobicContact CD2-CD2 3.81Å; Y204-L277 HydrophobicContact CE2-CD2 3.59Å; Y204-L277 HydrophobicContact CG-CB 4.3Å; Y204-L277 HydrophobicContact CG-CD2 4.47Å; N275-L277 VanDerWaalsContact C-N 3.28Å; N275-L277 PolarHBondContact O-N 3.1Å; N275-L277 VanDerWaalsContact OD1-CB 3.3Å; N275-L277 WeakPolarHBondContact OD1-CB 3.35Å; N275-L277 PolarHBondContact OD1-N 3.41Å; L277-L279 VanDerWaalsContact C-N 3.3Å; L277-L279 PolarHBondContact O-N 3.2Å; L277-K280 WeakPolarHBondContact O-CB 3.37Å; L277-K280 PolarHBondContact O-N 3.35Å; L277-K280 VanDerWaalsContact O-N 3.12Å; L277-V281 WeakPolarHBondContact O-CG2 3.4Å; L277-V281 PolarHBondContact O-N 2.86Å |
| 278 | L | 84.2 | Confident | 80.6 | Confident | 9 Ų | 9 | 38.5 Ų | 38.5 | 5% | 0.047 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.8 | -32 | 176.7 | -65.3 | 179.3 | 0 | 0 | 0 | 112.4 | A200 L201 L266 L270 N275 K280 V281 M282 | A200-L278 HydrophobicContact CB-CD1 4.26Å; A200-L278 HydrophobicContact CB-CD2 3.79Å; A200-L278 HydrophobicContact CB-CG 3.81Å; L201-L278 HydrophobicContact CD2-CD1 4.19Å; L201-L278 HydrophobicContact CG-CD1 4.44Å; L266-L278 HydrophobicContact CD1-CB 4.5Å; L266-L278 HydrophobicContact CD1-CD2 4.48Å; L270-L278 HydrophobicContact CD2-CB 3.67Å; L270-L278 HydrophobicContact CG-CB 4.36Å; N275-L278 HydrophobicContact CB-CB 4.07Å; N275-L278 HydrophobicContact CB-CD1 3.98Å; N275-L278 HydrophobicContact CB-CG 4.06Å; N275-L278 PolarHBondContact O-N 2.88Å; N275-L278 PolarHBondContact OD1-N 3.43Å; L278-K280 VanDerWaalsContact C-N 3.33Å; L278-V281 WeakPolarHBondContact O-CB 3.27Å; L278-V281 PolarHBondContact O-N 3.37Å; L278-M282 WeakPolarHBondContact O-CB 3.48Å; L278-M282 PolarHBondContact O-N 3.47Å |
| 279 | L | 82.9 | Confident | 80.5 | Confident | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63 | -39.3 | 170.8 | -76.4 | 166.4 | 0 | 0 | 0 | 111.7 | L213 F217 L270 N275 R276 L277 M282 L283 L346 L350 | L213-L279 HydrophobicContact CD2-CD2 4.39Å; F217-L279 HydrophobicContact CE2-CD2 4Å; F217-L279 HydrophobicContact CZ-CD2 3.54Å; L270-L279 HydrophobicContact CD1-CD2 3.98Å; L270-L279 HydrophobicContact CD1-CG 4.37Å; L270-L279 HydrophobicContact CD2-CD2 4.31Å; L270-L279 HydrophobicContact CD2-CG 4Å; N275-L279 WeakPolarHBondContact O-CB 3.3Å; N275-L279 WeakPolarHBondContact O-CG 3.22Å; N275-L279 PolarHBondContact O-N 3.48Å; R276-L279 PolarHBondContact O-N 2.81Å; L277-L279 VanDerWaalsContact C-N 3.3Å; L277-L279 PolarHBondContact O-N 3.2Å; L279-M282 PolarHBondContact O-N 3.08Å; L279-L283 WeakPolarHBondContact O-CB 3.41Å; L279-L283 PolarHBondContact O-N 3.4Å; L279-L346 HydrophobicContact CD2-CD2 3.57Å; L279-L350 HydrophobicContact CB-CD1 4.16Å; L279-L350 HydrophobicContact CB-CD2 3.74Å; L279-L350 HydrophobicContact CB-CG 4.17Å; L279-L350 HydrophobicContact CD1-CD2 4.37Å |
| 280 | K | 81.5 | Confident | 80.2 | Confident | 44 Ų | 44 | 33.1 Ų | 33.1 | 19% | 0.191 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.2 | -38.5 | 173.7 | -70.3 | 175.6 | -178.5 | 178.8 | 0 | 112.1 | E92 I96 R276 L277 L278 M282 L283 L284 L350 | E92-K280 WeakPolarHBondContact OE1-CD 3.43Å; E92-K280 WeakPolarHBondContact OE1-CE 3.31Å; E92-K280 IonicContact OE1-NZ 3.73Å; E92-K280 PolarHBondContact OE1-NZ 3.17Å; E92-K280 IonicContact OE2-NZ 2.89Å; E92-K280 PolarHBondContact OE2-NZ 2.97Å; I96-K280 HydrophobicContact CD1-CB 3.69Å; I96-K280 HydrophobicContact CD1-CD 3.86Å; I96-K280 HydrophobicContact CD1-CG 4.42Å; I96-K280 HydrophobicContact CG1-CB 4.22Å; R276-K280 WeakPolarHBondContact O-CG 3.36Å; R276-K280 PolarHBondContact O-N 3.14Å; R276-K280 VanDerWaalsContact O-N 3.11Å; L277-K280 WeakPolarHBondContact O-CB 3.37Å; L277-K280 PolarHBondContact O-N 3.35Å; L277-K280 VanDerWaalsContact O-N 3.12Å; L278-K280 VanDerWaalsContact C-N 3.33Å; K280-M282 VanDerWaalsContact C-N 3.32Å; K280-L283 WeakPolarHBondContact O-CB 3.41Å; K280-L283 PolarHBondContact O-N 3.38Å; K280-L284 PolarHBondContact O-N 3.18Å; K280-L350 HydrophobicContact CG-CD1 3.92Å; K280-L350 HydrophobicContact CG-CD2 4.1Å |
| 281 | V | 85.8 | Confident | 79.6 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 171.1 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | F95 I96 A99 L103 L266 L277 L278 L283 L284 L285 | F95-V281 HydrophobicContact CE1-CG2 4.47Å; I96-V281 HydrophobicContact CB-CG2 4.38Å; I96-V281 HydrophobicContact CG1-CG2 4.22Å; I96-V281 HydrophobicContact CG2-CG2 4.23Å; A99-V281 HydrophobicContact CB-CG1 3.98Å; A99-V281 HydrophobicContact CB-CG2 3.86Å; L103-V281 HydrophobicContact CD1-CG1 4.39Å; L266-V281 HydrophobicContact CD2-CG1 4.25Å; L277-V281 WeakPolarHBondContact O-CG2 3.4Å; L277-V281 PolarHBondContact O-N 2.86Å; L278-V281 WeakPolarHBondContact O-CB 3.27Å; L278-V281 PolarHBondContact O-N 3.37Å; V281-L283 VanDerWaalsContact C-N 3.35Å; V281-L283 PolarHBondContact O-N 3.4Å; V281-L284 PolarHBondContact O-N 3.44Å; V281-L285 HydrophobicContact CG1-CD1 3.91Å; V281-L285 HydrophobicContact CG1-CG 4.48Å; V281-L285 WeakPolarHBondContact O-CG 3.23Å; V281-L285 PolarHBondContact O-N 3.34Å |
| 282 | M | 86.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.2 | -36.9 | 178.4 | -164.3 | 155.2 | 83.1 | 0 | 0 | 112.9 | F217 L266 Q267 L270 L278 L279 K280 L285 N286 L346 | F217-M282 HydrophobicContact CD1-CE 3.83Å; F217-M282 HydrophobicContact CE1-CE 3.13Å; F217-M282 HydrophobicContact CE2-CE 4.29Å; F217-M282 HydrophobicContact CZ-CE 3.4Å; F217-M282 VanDerWaalsContact CZ-CE 3.4Å; L266-M282 HydrophobicContact CB-SD 4.38Å; L266-M282 HydrophobicContact CD2-CB 3.83Å; L266-M282 HydrophobicContact CD2-CG 4.17Å; L266-M282 HydrophobicContact CD2-SD 4.25Å; L266-M282 HydrophobicContact CG-SD 4.13Å; Q267-M282 HydrophobicContact CB-SD 4.24Å; Q267-M282 HydrophobicContact CG-CE 3.51Å; Q267-M282 HydrophobicContact CG-SD 3.26Å; Q267-M282 WeakPolarHBondContact CG-SD 3.44Å; L270-M282 HydrophobicContact CD1-CB 4.22Å; L270-M282 HydrophobicContact CD1-CE 3.55Å; L270-M282 HydrophobicContact CD1-SD 3.6Å; L270-M282 VanDerWaalsContact CD1-SD 3.6Å; L278-M282 WeakPolarHBondContact O-CB 3.48Å; L278-M282 PolarHBondContact O-N 3.47Å; L279-M282 PolarHBondContact O-N 3.08Å; K280-M282 VanDerWaalsContact C-N 3.32Å; M282-L285 PolarHBondContact O-N 3.27Å; M282-N286 PolarHBondContact O-N 2.9Å; M282-N286 PolarHBondContact O-ND2 2.88Å; M282-L346 HydrophobicContact CB-CD1 4.28Å; M282-L346 HydrophobicContact CE-CD1 3.93Å; M282-L346 HydrophobicContact CE-CD2 3.91Å; M282-L346 HydrophobicContact CE-CG 4.48Å; M282-L346 HydrophobicContact CG-CD1 3.99Å |
| 283 | L | 83.6 | Confident | 79.4 | Confident | 28 Ų | 28 | 27.2 Ų | 27.2 | 15% | 0.147 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.1 | -50.5 | 171.6 | 173.9 | 62.4 | 0 | 0 | 0 | 110.6 | L279 K280 V281 L285 N286 V287 A343 L346 A347 L350 V352 | L279-L283 WeakPolarHBondContact O-CB 3.41Å; L279-L283 PolarHBondContact O-N 3.4Å; K280-L283 WeakPolarHBondContact O-CB 3.41Å; K280-L283 PolarHBondContact O-N 3.38Å; V281-L283 VanDerWaalsContact C-N 3.35Å; V281-L283 PolarHBondContact O-N 3.4Å; L283-L285 VanDerWaalsContact C-N 3.35Å; L283-L285 PolarHBondContact O-N 2.94Å; L283-N286 PolarHBondContact O-N 3.16Å; L283-V287 HydrophobicContact CD1-CG2 4.47Å; L283-V287 WeakPolarHBondContact O-CG2 3.05Å; L283-V287 PolarHBondContact O-N 2.64Å; L283-V287 VanDerWaalsContact O-N 3.07Å; L283-A343 HydrophobicContact CD1-CB 3.95Å; L283-A343 WeakPolarHBondContact CD1-O 3.31Å; L283-L346 HydrophobicContact CB-CB 4.32Å; L283-L346 HydrophobicContact CD1-CB 4.1Å; L283-A347 HydrophobicContact CD1-CB 4.11Å; L283-A347 HydrophobicContact CD2-CB 4.32Å; L283-L350 HydrophobicContact CB-CD1 4.24Å; L283-L350 HydrophobicContact CD2-CD1 4.02Å; L283-V352 HydrophobicContact CD2-CG2 4.04Å |
| 284 | L | 80.7 | Confident | 79 | Confident | 47 Ų | 47 | 22.2 Ų | 22.2 | 25% | 0.246 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.3 | -40.8 | -179.7 | -172.1 | 63.7 | 0 | 0 | 0 | 111.7 | I96 T100 K280 V281 N286 V287 C288 | I96-L284 HydrophobicContact CG2-CB 4.03Å; I96-L284 HydrophobicContact CG2-CD2 3.63Å; I96-L284 HydrophobicContact CG2-CG 4.47Å; T100-L284 HydrophobicContact CG2-CD2 4.27Å; T100-L284 HydrophobicContact CG2-CG 4.35Å; K280-L284 PolarHBondContact O-N 3.18Å; V281-L284 PolarHBondContact O-N 3.44Å; L284-N286 VanDerWaalsContact C-N 3.35Å; L284-N286 PolarHBondContact O-N 3.22Å; L284-V287 PolarHBondContact O-N 2.94Å; L284-C288 PolarHBondContact O-N 2.95Å; L284-C288 PolarHBondContact O-SG 3.21Å; L284-C288 VanDerWaalsContact O-SG 3.34Å |
| 285 | L | 85.1 | Confident | 78.7 | Confident | 6 Ų | 6 | 23.3 Ų | 23.3 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.4 | -43.8 | 174.5 | -77.3 | 162 | 0 | 0 | 0 | 112.4 | T100 L103 Y104 Q263 L266 V281 M282 L283 V287 C288 Q289 | T100-L285 HydrophobicContact CG2-CD2 3.9Å; T100-L285 HydrophobicContact CG2-CG 4.29Å; L103-L285 HydrophobicContact CB-CD2 4.29Å; L103-L285 HydrophobicContact CD1-CD1 3.47Å; L103-L285 VanDerWaalsContact CD1-CD1 3.47Å; L103-L285 HydrophobicContact CD1-CD2 4.12Å; L103-L285 HydrophobicContact CD1-CG 4.33Å; Y104-L285 HydrophobicContact CD2-CD2 4.43Å; Y104-L285 HydrophobicContact CE2-CD2 4.25Å; Q263-L285 HydrophobicContact CG-CB 4.17Å; Q263-L285 PolarHBondContact NE2-O 2.87Å; L266-L285 HydrophobicContact CD2-CD1 3.78Å; V281-L285 HydrophobicContact CG1-CD1 3.91Å; V281-L285 HydrophobicContact CG1-CG 4.48Å; V281-L285 WeakPolarHBondContact O-CG 3.23Å; V281-L285 PolarHBondContact O-N 3.34Å; M282-L285 PolarHBondContact O-N 3.27Å; L283-L285 VanDerWaalsContact C-N 3.35Å; L283-L285 PolarHBondContact O-N 2.94Å; L285-V287 VanDerWaalsContact C-N 3.32Å; L285-V287 PolarHBondContact O-N 3.39Å; L285-C288 PolarHBondContact O-N 2.67Å; L285-Q289 VanDerWaalsContact O-CB 3.28Å; L285-Q289 WeakPolarHBondContact O-CB 3.38Å; L285-Q289 PolarHBondContact O-N 2.88Å |
| 286 | N | 82.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65 | -37.1 | 177.1 | -81.5 | -78.1 | 0 | 0 | 0 | 111.9 | M282 L283 L284 F290 S342 A343 | M282-N286 PolarHBondContact O-N 2.9Å; M282-N286 PolarHBondContact O-ND2 2.88Å; L283-N286 PolarHBondContact O-N 3.16Å; L284-N286 VanDerWaalsContact C-N 3.35Å; L284-N286 PolarHBondContact O-N 3.22Å; N286-F290 WeakPolarHBondContact O-CB 3.47Å; N286-F290 PolarHBondContact O-N 3.38Å; N286-S342 WeakPolarHBondContact OD1-CB 3.08Å; N286-A343 HydrophobicContact CB-CB 3.92Å |
| 287 | V | 75.6 | Confident | 78 | Confident | 48 Ų | 48 | 20.1 Ų | 20.1 | 29% | 0.291 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -67.3 | -46.3 | 176 | 174 | 0 | 0 | 0 | 0 | 111.1 | L283 L284 L285 Q289 F290 M291 A343 | L283-V287 HydrophobicContact CD1-CG2 4.47Å; L283-V287 WeakPolarHBondContact O-CG2 3.05Å; L283-V287 PolarHBondContact O-N 2.64Å; L283-V287 VanDerWaalsContact O-N 3.07Å; L284-V287 PolarHBondContact O-N 2.94Å; L285-V287 VanDerWaalsContact C-N 3.32Å; L285-V287 PolarHBondContact O-N 3.39Å; V287-Q289 VanDerWaalsContact C-N 3.33Å; V287-Q289 PolarHBondContact O-N 2.75Å; V287-F290 PolarHBondContact O-N 2.92Å; V287-M291 HydrophobicContact CG1-CE 4.16Å; V287-M291 WeakPolarHBondContact O-CG 3.44Å; V287-M291 PolarHBondContact O-N 3.19Å; V287-A343 HydrophobicContact CG2-CB 4.09Å |
| 288 | C | 76.9 | Confident | 77.2 | Confident | 19 Ų | 19 | 21.8 Ų | 21.8 | 13% | 0.128 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 176.1 | -68.5 | 0 | 0 | 0 | 0 | 111.3 | Y104 L284 L285 M291 Q292 | Y104-C288 HydrophobicContact CE2-CB 3.82Å; Y104-C288 WeakPolarHBondContact OH-CB 3.37Å; L284-C288 PolarHBondContact O-N 2.95Å; L284-C288 PolarHBondContact O-SG 3.21Å; L284-C288 VanDerWaalsContact O-SG 3.34Å; L285-C288 PolarHBondContact O-N 2.67Å; C288-M291 PolarHBondContact O-N 3.47Å; C288-Q292 WeakPolarHBondContact O-CB 3.4Å; C288-Q292 PolarHBondContact O-N 3.11Å |
| 289 | Q | 81.3 | Confident | 76.2 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.1 | -47.2 | 176 | -167.5 | 68.8 | 14.6 | 0 | 0 | 111.1 | C256 T259 L260 L285 V287 M291 Q292 E293 T339 | C256-Q289 PolarHBondContact O-NE2 3.37Å; T259-Q289 VanDerWaalsContact CB-OE1 3.26Å; T259-Q289 PolarHBondContact OG1-NE2 3.33Å; T259-Q289 VanDerWaalsContact OG1-NE2 3.1Å; T259-Q289 PolarHBondContact OG1-OE1 2.99Å; L260-Q289 HydrophobicContact CD2-CG 4.09Å; L285-Q289 VanDerWaalsContact O-CB 3.28Å; L285-Q289 WeakPolarHBondContact O-CB 3.38Å; L285-Q289 PolarHBondContact O-N 2.88Å; V287-Q289 VanDerWaalsContact C-N 3.33Å; V287-Q289 PolarHBondContact O-N 2.75Å; Q289-M291 VanDerWaalsContact C-N 3.29Å; Q289-M291 PolarHBondContact O-N 3.46Å; Q289-Q292 WeakPolarHBondContact O-CB 3.17Å; Q289-Q292 PolarHBondContact O-N 2.66Å; Q289-Q292 VanDerWaalsContact O-N 3.1Å; Q289-E293 HydrophobicContact CG-CG 4.1Å; Q289-E293 PolarHBondContact NE2-OE1 3.06Å; Q289-E293 VanDerWaalsContact O-CG 3.23Å; Q289-E293 WeakPolarHBondContact O-CG 3.47Å; Q289-E293 PolarHBondContact O-N 2.92Å; Q289-T339 HydrophobicContact CB-CG2 3.94Å; Q289-T339 HydrophobicContact CG-CG2 3.61Å |
| 290 | F | 79 | Confident | 75.2 | Confident | 49 Ų | 49 | 23.3 Ų | 23.3 | 22% | 0.215 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -54.7 | -46.2 | 176.4 | 168.2 | -104.2 | 0 | 0 | 0 | 111.9 | N286 V287 E293 A294 A336 A340 M417 | N286-F290 WeakPolarHBondContact O-CB 3.47Å; N286-F290 PolarHBondContact O-N 3.38Å; V287-F290 PolarHBondContact O-N 2.92Å; F290-E293 PolarHBondContact O-N 2.73Å; F290-A294 WeakPolarHBondContact O-CB 3.25Å; F290-A294 PolarHBondContact O-N 3.25Å; F290-A336 HydrophobicContact CD2-CB 4.09Å; F290-A336 WeakPolarHBondContact CD2-O 3.28Å; F290-A336 HydrophobicContact CE2-CB 4.31Å; F290-A340 HydrophobicContact CD2-CB 3.86Å; F290-A340 HydrophobicContact CE2-CB 4.14Å; F290-A340 HydrophobicContact CG-CB 4.45Å; F290-M417 HydrophobicContact CE1-CE 3.96Å; F290-M417 HydrophobicContact CZ-CE 3.96Å; F290-M417 HydrophobicContact CZ-SD 4.39Å |
| 291 | M | 69.2 | Low | 74.3 | Confident | 45 Ų | 45 | 24.4 Ų | 24.4 | 22% | 0.222 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61 | -46.5 | 176.2 | -69.9 | -174.1 | 178.4 | 0 | 0 | 111.4 | V287 C288 Q289 A294 F295 L605 | V287-M291 HydrophobicContact CG1-CE 4.16Å; V287-M291 WeakPolarHBondContact O-CG 3.44Å; V287-M291 PolarHBondContact O-N 3.19Å; C288-M291 PolarHBondContact O-N 3.47Å; Q289-M291 VanDerWaalsContact C-N 3.29Å; Q289-M291 PolarHBondContact O-N 3.46Å; M291-A294 PolarHBondContact O-N 3.16Å; M291-F295 WeakPolarHBondContact O-CD2 3.36Å; M291-F295 PolarHBondContact O-N 3.44Å; M291-L605 HydrophobicContact SD-CD1 4.31Å |
| 292 | Q | 75.8 | Confident | 72.9 | Confident | 20 Ų | 20 | 26.7 Ų | 26.7 | 9% | 0.093 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 179.2 | -179.4 | -179.6 | -24.8 | 0 | 0 | 112.6 | Y104 C256 C288 Q289 A294 F295 Y296 | Y104-Q292 PolarHBondContact OH-OE1 3.3Å; C256-Q292 PolarHBondContact SG-NE2 2.99Å; C288-Q292 WeakPolarHBondContact O-CB 3.4Å; C288-Q292 PolarHBondContact O-N 3.11Å; Q289-Q292 WeakPolarHBondContact O-CB 3.17Å; Q289-Q292 PolarHBondContact O-N 2.66Å; Q289-Q292 VanDerWaalsContact O-N 3.1Å; Q292-A294 VanDerWaalsContact C-N 3.3Å; Q292-A294 PolarHBondContact O-N 3.42Å; Q292-F295 PolarHBondContact O-N 2.91Å; Q292-Y296 HydrophobicContact CG-CD2 3.93Å; Q292-Y296 HydrophobicContact CG-CE2 3.53Å; Q292-Y296 PolarHBondContact O-N 2.61Å |
| 293 | E | 76.9 | Confident | 71.5 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.6 | -39.5 | 176.6 | -63.4 | -67.4 | 167.1 | 0 | 0 | 111.2 | C256 Q289 F290 Y296 S297 H332 R335 A336 | C256-E293 WeakPolarHBondContact CB-OE1 3.37Å; C256-E293 PolarHBondContact SG-OE1 3.12Å; Q289-E293 HydrophobicContact CG-CG 4.1Å; Q289-E293 PolarHBondContact NE2-OE1 3.06Å; Q289-E293 VanDerWaalsContact O-CG 3.23Å; Q289-E293 WeakPolarHBondContact O-CG 3.47Å; Q289-E293 PolarHBondContact O-N 2.92Å; F290-E293 PolarHBondContact O-N 2.73Å; E293-Y296 PolarHBondContact O-N 2.86Å; E293-S297 WeakPolarHBondContact O-CB 3.43Å; E293-S297 PolarHBondContact O-N 2.84Å; E293-S297 PolarHBondContact O-OG 3.37Å; E293-H332 WeakPolarHBondContact OE2-CA 3.26Å; E293-H332 IonicContact OE2-CE1 3.85Å; E293-H332 IonicContact OE2-CG 3.08Å; E293-H332 IonicContact OE2-ND1 2.74Å; E293-H332 PolarHBondContact OE2-ND1 3.35Å; E293-R335 VanDerWaalsContact CD-CB 3.46Å; E293-R335 VanDerWaalsContact CD-NE 3.3Å; E293-R335 HydrophobicContact CG-CB 3.92Å; E293-R335 VanDerWaalsContact OE1-CD 3.31Å; E293-R335 WeakPolarHBondContact OE1-CD 3.29Å; E293-R335 IonicContact OE1-CZ 3.69Å; E293-R335 IonicContact OE1-NE 3.2Å; E293-R335 PolarHBondContact OE1-NE 3.01Å; E293-R335 VanDerWaalsContact OE1-NE 3.08Å; E293-R335 IonicContact OE2-CZ 3.32Å; E293-R335 IonicContact OE2-NE 3.06Å; E293-R335 PolarHBondContact OE2-NE 3.13Å; E293-R335 IonicContact OE2-NH2 2.7Å; E293-R335 PolarHBondContact OE2-NH2 3.48Å; E293-A336 HydrophobicContact CB-CB 3.81Å |
| 294 | A | 67.5 | Low | 70.3 | Confident | 20 Ų | 20 | 28 Ų | 28 | 17% | 0.165 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F290 M291 Q292 W298 | F290-A294 WeakPolarHBondContact O-CB 3.25Å; F290-A294 PolarHBondContact O-N 3.25Å; M291-A294 PolarHBondContact O-N 3.16Å; Q292-A294 VanDerWaalsContact C-N 3.3Å; Q292-A294 PolarHBondContact O-N 3.42Å; A294-W298 WeakPolarHBondContact O-CB 3.37Å; A294-W298 PolarHBondContact O-N 3.46Å |
| 295 | F | 65.1 | Low | 69 | Low | 42 Ų | 42 | 26.1 Ų | 26.1 | 18% | 0.184 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.6 | -39.9 | 175.5 | -81.7 | -64.1 | 0 | 0 | 0 | 113.2 | M291 Q292 W298 N299 F602 T606 | M291-F295 WeakPolarHBondContact O-CD2 3.36Å; M291-F295 PolarHBondContact O-N 3.44Å; Q292-F295 PolarHBondContact O-N 2.91Å; F295-W298 WeakPolarHBondContact O-CB 3.49Å; F295-W298 PolarHBondContact O-N 2.91Å; F295-N299 WeakPolarHBondContact O-CB 3.44Å; F295-N299 PolarHBondContact O-N 3.07Å; F295-F602 HydrophobicContact CE1-CZ 4.32Å; F295-F602 HydrophobicContact CE2-CE2 4.1Å; F295-F602 HydrophobicContact CZ-CD2 4.5Å; F295-F602 AromaticContact CZ-CE2 3.5Å; F295-F602 HydrophobicContact CZ-CE2 3.5Å; F295-F602 VanDerWaalsContact CZ-CE2 3.5Å; F295-F602 AromaticContact CZ-CZ 3.6Å; F295-F602 HydrophobicContact CZ-CZ 3.6Å; F295-T606 HydrophobicContact CE1-CG2 3.9Å; F295-T606 HydrophobicContact CE2-CG2 3.86Å; F295-T606 HydrophobicContact CZ-CG2 3.24Å |
| 296 | Y | 70.2 | Confident | 67.4 | Low | 23 Ų | 23 | 31.9 Ų | 31.9 | 9% | 0.09 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -77.6 | -32.3 | 179.5 | -66.1 | -17.1 | 0 | 0 | 0 | 113.1 | W71 Q252 C256 Q292 E293 W298 N299 S300 H332 | W71-Y296 WeakPolarHBondContact CZ3-OH 3.29Å; Q252-Y296 HydrophobicContact CB-CD2 3.7Å; Q252-Y296 HydrophobicContact CB-CE2 3.87Å; Q252-Y296 HydrophobicContact CB-CG 4.05Å; Q252-Y296 HydrophobicContact CG-CD1 3.81Å; Q252-Y296 HydrophobicContact CG-CD2 3.87Å; Q252-Y296 HydrophobicContact CG-CE1 3.86Å; Q252-Y296 HydrophobicContact CG-CE2 3.89Å; Q252-Y296 HydrophobicContact CG-CG 3.84Å; C256-Y296 VanDerWaalsContact SG-CD2 3.52Å; Q292-Y296 HydrophobicContact CG-CD2 3.93Å; Q292-Y296 HydrophobicContact CG-CE2 3.53Å; Q292-Y296 PolarHBondContact O-N 2.61Å; E293-Y296 PolarHBondContact O-N 2.86Å; Y296-W298 VanDerWaalsContact C-N 3.26Å; Y296-W298 PolarHBondContact O-N 2.8Å; Y296-N299 PolarHBondContact O-N 3.14Å; Y296-S300 WeakPolarHBondContact O-CB 3.18Å; Y296-S300 PolarHBondContact O-N 2.64Å; Y296-S300 PolarHBondContact O-OG 3.49Å; Y296-H332 WeakPolarHBondContact CB-CE1 3.39Å; Y296-H332 AromaticContact CD2-CE1 3.72Å |
| 297 | S | 67.4 | Low | 66.1 | Low | 13 Ų | 13 | 32.9 Ų | 32.9 | 9% | 0.091 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.1 | -46.2 | 166.9 | -56.5 | 0 | 0 | 0 | 0 | 110.2 | E293 S300 Y301 H332 | E293-S297 WeakPolarHBondContact O-CB 3.43Å; E293-S297 PolarHBondContact O-N 2.84Å; E293-S297 PolarHBondContact O-OG 3.37Å; S297-S300 PolarHBondContact O-N 3.05Å; S297-Y301 PolarHBondContact O-N 3.1Å; S297-H332 WeakPolarHBondContact OG-CB 3.02Å |
| 298 | W | 62.5 | Low | 64.9 | Low | 35 Ų | 35 | 34.3 Ų | 34.3 | 13% | 0.133 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63 | -47.4 | 176.6 | 173.3 | -105.2 | 0 | 0 | 0 | 112.2 | A294 F295 Y296 S300 Y301 Y302 A406 G409 I410 | A294-W298 WeakPolarHBondContact O-CB 3.37Å; A294-W298 PolarHBondContact O-N 3.46Å; F295-W298 WeakPolarHBondContact O-CB 3.49Å; F295-W298 PolarHBondContact O-N 2.91Å; Y296-W298 VanDerWaalsContact C-N 3.26Å; Y296-W298 PolarHBondContact O-N 2.8Å; W298-S300 VanDerWaalsContact C-N 3.31Å; W298-S300 PolarHBondContact O-N 2.7Å; W298-Y301 AromaticContact CE3-CD1 3.97Å; W298-Y301 HydrophobicContact CE3-CD1 3.97Å; W298-Y301 AromaticContact CH2-CD1 3.65Å; W298-Y301 HydrophobicContact CH2-CD1 3.65Å; W298-Y301 AromaticContact CH2-CE1 3.82Å; W298-Y301 HydrophobicContact CH2-CE1 3.82Å; W298-Y301 AromaticContact CZ3-CD1 3.26Å; W298-Y301 HydrophobicContact CZ3-CD1 3.26Å; W298-Y301 AromaticContact CZ3-CE1 3.58Å; W298-Y301 HydrophobicContact CZ3-CE1 3.58Å; W298-Y301 HydrophobicContact CZ3-CG 4.32Å; W298-Y301 WeakPolarHBondContact O-CB 3.34Å; W298-Y301 PolarHBondContact O-N 3.1Å; W298-Y302 PolarHBondContact O-N 3.39Å; W298-A406 VanDerWaalsContact CZ2-O 3.29Å; W298-A406 WeakPolarHBondContact CZ2-O 3.25Å; W298-G409 VanDerWaalsContact CZ3-O 3.29Å; W298-G409 WeakPolarHBondContact CZ3-O 3.3Å; W298-I410 HydrophobicContact CD2-CG1 4.35Å; W298-I410 VanDerWaalsContact CE2-CG1 3.46Å; W298-I410 VanDerWaalsContact CH2-N 3.34Å; W298-I410 HydrophobicContact CZ2-CG1 3.71Å; W298-I410 VanDerWaalsContact CZ2-N 3.29Å |
| 299 | N | 63.6 | Low | 63.5 | Low | 46 Ų | 46 | 34.8 Ų | 34.8 | 25% | 0.246 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -38.1 | 179.1 | -163.7 | 16.6 | 0 | 0 | 0 | 112 | Q252 F295 Y296 Y302 I303 | Q252-N299 PolarHBondContact NE2-ND2 2.79Å; F295-N299 WeakPolarHBondContact O-CB 3.44Å; F295-N299 PolarHBondContact O-N 3.07Å; Y296-N299 PolarHBondContact O-N 3.14Å; N299-Y302 PolarHBondContact O-N 3.31Å; N299-I303 WeakPolarHBondContact O-CG1 3.49Å; N299-I303 PolarHBondContact O-N 3.02Å |
| 300 | S | 62.9 | Low | 61.6 | Low | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.8 | -41.2 | 175.2 | -59.2 | 0 | 0 | 0 | 0 | 112.3 | Y296 S297 W298 S304 N328 | Y296-S300 WeakPolarHBondContact O-CB 3.18Å; Y296-S300 PolarHBondContact O-N 2.64Å; Y296-S300 PolarHBondContact O-OG 3.49Å; S297-S300 PolarHBondContact O-N 3.05Å; W298-S300 VanDerWaalsContact C-N 3.31Å; W298-S300 PolarHBondContact O-N 2.7Å; S300-S304 WeakPolarHBondContact O-CB 3.43Å; S300-S304 PolarHBondContact O-N 2.97Å; S300-S304 PolarHBondContact O-OG 3.35Å; S300-N328 PolarHBondContact OG-ND2 3.46Å |
| 301 | Y | 61 | Low | 59.7 | Low | 67 Ų | 67 | 43.7 Ų | 43.7 | 26% | 0.263 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.3 | -45.4 | 172.1 | 176.2 | -100.1 | 0 | 0 | 0 | 111.5 | S297 W298 S304 L305 D391 | S297-Y301 PolarHBondContact O-N 3.1Å; W298-Y301 AromaticContact CE3-CD1 3.97Å; W298-Y301 HydrophobicContact CE3-CD1 3.97Å; W298-Y301 AromaticContact CH2-CD1 3.65Å; W298-Y301 HydrophobicContact CH2-CD1 3.65Å; W298-Y301 AromaticContact CH2-CE1 3.82Å; W298-Y301 HydrophobicContact CH2-CE1 3.82Å; W298-Y301 AromaticContact CZ3-CD1 3.26Å; W298-Y301 HydrophobicContact CZ3-CD1 3.26Å; W298-Y301 AromaticContact CZ3-CE1 3.58Å; W298-Y301 HydrophobicContact CZ3-CE1 3.58Å; W298-Y301 HydrophobicContact CZ3-CG 4.32Å; W298-Y301 WeakPolarHBondContact O-CB 3.34Å; W298-Y301 PolarHBondContact O-N 3.1Å; Y301-S304 WeakPolarHBondContact O-CB 3.44Å; Y301-S304 PolarHBondContact O-N 3.14Å; Y301-L305 HydrophobicContact CD1-CD1 3.86Å; Y301-L305 HydrophobicContact CE1-CD1 3.32Å; Y301-L305 HydrophobicContact CE1-CG 4.35Å; Y301-L305 HydrophobicContact CE2-CD1 4.3Å; Y301-L305 PolarHBondContact O-N 3.17Å; Y301-D391 VanDerWaalsContact OH-CB 3.31Å; Y301-D391 WeakPolarHBondContact OH-CB 3.46Å; Y301-D391 PolarHBondContact OH-OD2 3.33Å |
| 302 | Y | 56.7 | Low | 58.3 | Low | 51 Ų | 51 | 44.2 Ų | 44.2 | 20% | 0.2 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.3 | -46.3 | 178.4 | 175.9 | -104.1 | 0 | 0 | 0 | 112.8 | W298 N299 S304 L305 Y306 A406 | W298-Y302 PolarHBondContact O-N 3.39Å; N299-Y302 PolarHBondContact O-N 3.31Å; Y302-S304 VanDerWaalsContact C-N 3.33Å; Y302-S304 PolarHBondContact O-N 3.49Å; Y302-L305 CarbonylContact O-C 3.59Å; Y302-L305 WeakPolarHBondContact O-CB 3.49Å; Y302-L305 PolarHBondContact O-N 3.49Å; Y302-Y306 PolarHBondContact O-N 3.08Å; Y302-A406 HydrophobicContact CD2-CB 3.96Å; Y302-A406 HydrophobicContact CE2-CB 3.41Å; Y302-A406 VanDerWaalsContact CE2-CB 3.41Å |
| 303 | I | 58.4 | Low | 56.5 | Low | 24 Ų | 24 | 53 Ų | 53 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67 | -36.5 | 178.4 | -64.8 | 164.8 | 0 | 0 | 0 | 110.6 | Y249 N299 L305 Y306 I307 M325 | Y249-I303 HydrophobicContact CE1-CD1 3.87Å; Y249-I303 HydrophobicContact CE2-CG2 4.21Å; Y249-I303 WeakPolarHBondContact OH-CB 3.39Å; Y249-I303 WeakPolarHBondContact OH-CG2 3.29Å; N299-I303 WeakPolarHBondContact O-CG1 3.49Å; N299-I303 PolarHBondContact O-N 3.02Å; I303-L305 VanDerWaalsContact C-N 3.3Å; I303-L305 PolarHBondContact O-N 3Å; I303-Y306 PolarHBondContact O-N 3.15Å; I303-I307 HydrophobicContact CG2-CD1 3.83Å; I303-I307 HydrophobicContact CG2-CG1 4.22Å; I303-I307 WeakPolarHBondContact O-CG1 3.49Å; I303-I307 PolarHBondContact O-N 3.3Å; I303-M325 HydrophobicContact CG2-SD 4.5Å |
| 304 | S | 57.8 | Low | 55 | Low | 31 Ų | 31 | 58 Ų | 58 | 22% | 0.217 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 173.3 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | S300 Y301 Y302 H308 M325 | S300-S304 WeakPolarHBondContact O-CB 3.43Å; S300-S304 PolarHBondContact O-N 2.97Å; S300-S304 PolarHBondContact O-OG 3.35Å; Y301-S304 WeakPolarHBondContact O-CB 3.44Å; Y301-S304 PolarHBondContact O-N 3.14Å; Y302-S304 VanDerWaalsContact C-N 3.33Å; Y302-S304 PolarHBondContact O-N 3.49Å; S304-H308 PolarHBondContact O-N 2.99Å; S304-M325 WeakPolarHBondContact CA-SD 3.13Å; S304-M325 WeakPolarHBondContact OG-CB 3.36Å; S304-M325 PolarHBondContact OG-SD 3.02Å |
| 305 | L | 52.9 | Low | 54 | Low | 9 Ų | 9 | 58.4 Ų | 58.4 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 171.4 | -71 | 171 | 0 | 0 | 0 | 110.4 | Y301 Y302 I303 I307 H308 S309 T395 R402 V405 | Y301-L305 HydrophobicContact CD1-CD1 3.86Å; Y301-L305 HydrophobicContact CE1-CD1 3.32Å; Y301-L305 HydrophobicContact CE1-CG 4.35Å; Y301-L305 HydrophobicContact CE2-CD1 4.3Å; Y301-L305 PolarHBondContact O-N 3.17Å; Y302-L305 CarbonylContact O-C 3.59Å; Y302-L305 WeakPolarHBondContact O-CB 3.49Å; Y302-L305 PolarHBondContact O-N 3.49Å; I303-L305 VanDerWaalsContact C-N 3.3Å; I303-L305 PolarHBondContact O-N 3Å; L305-I307 PolarHBondContact O-N 3.38Å; L305-H308 PolarHBondContact O-N 2.95Å; L305-S309 PolarHBondContact O-N 3.36Å; L305-S309 PolarHBondContact O-OG 3.48Å; L305-T395 HydrophobicContact CD2-CG2 4.22Å; L305-R402 PolarHBondContact O-NH1 3.06Å; L305-V405 HydrophobicContact CD1-CG1 3.92Å |
| 306 | Y | 52.9 | Low | 53.4 | Low | 126 Ų | 126 | 62.9 Ų | 62.9 | 49% | 0.494 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.2 | -48.5 | -179.6 | -174.9 | -98.1 | 0 | 0 | 0 | 112.6 | Y302 I303 H308 S309 S310 | Y302-Y306 PolarHBondContact O-N 3.08Å; I303-Y306 PolarHBondContact O-N 3.15Å; Y306-H308 VanDerWaalsContact C-N 3.3Å; Y306-H308 PolarHBondContact O-N 3.41Å; Y306-S309 PolarHBondContact O-N 2.84Å; Y306-S309 PolarHBondContact O-OG 3.33Å; Y306-S310 PolarHBondContact O-N 3.21Å |
| 307 | I | 54.3 | Low | 52.9 | Low | 22 Ų | 22 | 65.8 Ų | 65.8 | 11% | 0.113 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.6 | -39.3 | 179.7 | -68.9 | 171.3 | 0 | 0 | 0 | 111.7 | Y245 I303 L305 S309 A315 L318 M325 | Y245-I307 HydrophobicContact CD2-CD1 4.03Å; Y245-I307 HydrophobicContact CE2-CD1 3.82Å; I303-I307 HydrophobicContact CG2-CD1 3.83Å; I303-I307 HydrophobicContact CG2-CG1 4.22Å; I303-I307 WeakPolarHBondContact O-CG1 3.49Å; I303-I307 PolarHBondContact O-N 3.3Å; L305-I307 PolarHBondContact O-N 3.38Å; I307-S309 VanDerWaalsContact C-N 3.28Å; I307-S309 PolarHBondContact O-N 3.29Å; I307-A315 HydrophobicContact CG2-CB 4.2Å; I307-L318 HydrophobicContact CG2-CD1 4.37Å; I307-M325 HydrophobicContact CD1-CE 3.98Å; I307-M325 HydrophobicContact CD1-SD 3.82Å |
| 308 | H | 51.5 | Low | 52.6 | Low | 78 Ų | 78 | 68.6 Ų | 68.6 | 36% | 0.361 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.2 | -20.1 | 176.7 | -106.8 | -71.3 | 0 | 0 | 0 | 114.1 | S304 L305 Y306 Q322 | S304-H308 PolarHBondContact O-N 2.99Å; L305-H308 PolarHBondContact O-N 2.95Å; Y306-H308 VanDerWaalsContact C-N 3.3Å; Y306-H308 PolarHBondContact O-N 3.41Å; H308-Q322 PolarHBondContact NE2-NE2 3.01Å |
| 309 | S | 45.8 | Very low | 52.6 | Low | 28 Ų | 28 | 70.3 Ų | 70.3 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -99.8 | -25.9 | -176.8 | 56.2 | 0 | 0 | 0 | 0 | 115.3 | L305 Y306 I307 R311 R402 | L305-S309 PolarHBondContact O-N 3.36Å; L305-S309 PolarHBondContact O-OG 3.48Å; Y306-S309 PolarHBondContact O-N 2.84Å; Y306-S309 PolarHBondContact O-OG 3.33Å; I307-S309 VanDerWaalsContact C-N 3.28Å; I307-S309 PolarHBondContact O-N 3.29Å; S309-R311 PolarHBondContact O-N 2.86Å; S309-R311 VanDerWaalsContact O-N 3.14Å; S309-R402 VanDerWaalsContact CB-CG 3.45Å; S309-R402 VanDerWaalsContact N-NH1 3.15Å; S309-R402 WeakPolarHBondContact OG-CD 3.25Å |
| 310 | S | 42.6 | Very low | 52.8 | Low | 30 Ų | 30 | 73 Ų | 73 | 21% | 0.21 | 36% | 0.36 | C | S | . | . | trans | -70.9 | 114.7 | -179.8 | 58.8 | 0 | 0 | 0 | 0 | 108.8 | Y306 A312 | Y306-S310 PolarHBondContact O-N 3.21Å; S310-A312 CarbonylContact O-C 3.53Å; S310-A312 PolarHBondContact O-N 3.22Å; S310-A312 VanDerWaalsContact O-O 3.13Å; S310-A312 PolarHBondContact OG-O 3.4Å | ||
| 311 | R | 38 | Very low | 52.8 | Low | 207 Ų | 207 | 73.4 Ų | 73.4 | 78% | 0.781 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -51.7 | -20.3 | 166.5 | -97.5 | -175.7 | 175.5 | -178.4 | -1.5 | 112.9 | S309 K313 H399 | S309-R311 PolarHBondContact O-N 2.86Å; S309-R311 VanDerWaalsContact O-N 3.14Å; R311-K313 PolarHBondContact O-N 2.81Å; R311-K313 VanDerWaalsContact O-N 3.12Å; R311-H399 PolarHBondContact NH2-CE1 2.9Å; R311-H399 PolarHBondContact NH2-NE2 3.38Å |
| 312 | A | 40.1 | Very low | 53 | Low | 56 Ų | 56 | 73.7 Ų | 73.7 | 46% | 0.463 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -66.9 | 106.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | S310 L314 | S310-A312 CarbonylContact O-C 3.53Å; S310-A312 PolarHBondContact O-N 3.22Å; S310-A312 VanDerWaalsContact O-O 3.13Å; S310-A312 PolarHBondContact OG-O 3.4Å; A312-L314 HydrophobicContact CB-CD1 4.14Å; A312-L314 PolarHBondContact O-N 2.83Å |
| 313 | K | 38.5 | Very low | 53.7 | Low | 205 Ų | 205 | 75 Ų | 75 | 89% | 0.891 | 38% | 0.38 | S | S | * | . | trans | -58.2 | 62.7 | 168 | -63.8 | 176.2 | 175.1 | -179.7 | 0 | 111.4 | R311 A315 | R311-K313 PolarHBondContact O-N 2.81Å; R311-K313 VanDerWaalsContact O-N 3.12Å; K313-A315 VanDerWaalsContact C-N 3.33Å | ||
| 314 | L | 44.7 | Very low | 54.2 | Low | 105 Ų | 105 | 74.5 Ų | 74.5 | 55% | 0.55 | 38% | 0.378 | S | S | . | . | trans | -83.2 | -14.8 | 175.2 | -95.3 | 153.4 | 0 | 0 | 0 | 111.8 | A312 I316 | A312-L314 HydrophobicContact CB-CD1 4.14Å; A312-L314 PolarHBondContact O-N 2.83Å; L314-I316 PolarHBondContact O-N 2.84Å | ||
| 315 | A | 48.1 | Very low | 54.8 | Low | 27 Ų | 27 | 73.4 Ų | 73.4 | 22% | 0.223 | 37% | 0.369 | C | S | . | . | trans | -80.3 | 104.7 | 168 | 0 | 0 | 0 | 0 | 0 | 109.1 | I307 K313 L318 D321 | I307-A315 HydrophobicContact CG2-CB 4.2Å; K313-A315 VanDerWaalsContact C-N 3.33Å; A315-L318 HydrophobicContact CB-CB 4.33Å; A315-L318 HydrophobicContact CB-CD1 3.85Å; A315-D321 WeakPolarHBondContact CA-OD2 3.47Å; A315-D321 VanDerWaalsContact CB-OD2 3.31Å; A315-D321 WeakPolarHBondContact CB-OD2 3.47Å | ||
| 316 | I | 51.9 | Low | 55.7 | Low | 137 Ų | 137 | 77.4 Ų | 77.4 | 70% | 0.703 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -66.9 | -31.6 | 170 | -57.8 | -161.3 | 0 | 0 | 0 | 109.7 | F243 L314 | F243-I316 HydrophobicContact CE1-CD1 3.56Å; F243-I316 HydrophobicContact CE1-CG1 4.1Å; F243-I316 HydrophobicContact CZ-CD1 3.49Å; F243-I316 VanDerWaalsContact CZ-CD1 3.49Å; F243-I316 HydrophobicContact CZ-CG1 4.02Å; L314-I316 PolarHBondContact O-N 2.84Å |
| 317 | D | 60.4 | Low | 56.8 | Low | 84 Ų | 84 | 74.7 Ų | 74.7 | 45% | 0.449 | 39% | 0.387 | S | S | . | . | trans | -145.2 | 94.2 | 174.1 | -166.5 | -16.1 | 0 | 0 | 0 | 110.3 | S319 Y320 D321 | D317-S319 PolarHBondContact O-N 3.06Å; D317-S319 VanDerWaalsContact O-N 3.08Å; D317-S319 PolarHBondContact OD1-N 3.44Å; D317-S319 PolarHBondContact OD1-OG 2.89Å; D317-Y320 WeakPolarHBondContact O-CB 3.47Å; D317-Y320 PolarHBondContact O-N 3.47Å; D317-Y320 VanDerWaalsContact O-N 3.08Å; D317-D321 PolarHBondContact O-N 3.49Å | ||
| 318 | L | 60.6 | Low | 57.9 | Low | 72 Ų | 72 | 73.7 Ų | 73.7 | 38% | 0.377 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -55 | -30 | -178.7 | -164.9 | 79.8 | 0 | 0 | 0 | 112.2 | I307 A315 Q322 | I307-L318 HydrophobicContact CG2-CD1 4.37Å; A315-L318 HydrophobicContact CB-CB 4.33Å; A315-L318 HydrophobicContact CB-CD1 3.85Å; L318-Q322 WeakPolarHBondContact O-CB 3.35Å; L318-Q322 WeakPolarHBondContact O-CG 3.16Å; L318-Q322 PolarHBondContact O-N 2.91Å |
| 319 | S | 62.2 | Low | 59.1 | Low | 71 Ų | 71 | 74.4 Ų | 74.4 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -73.5 | -40.4 | -179.7 | 74.5 | 0 | 0 | 0 | 0 | 112 | D317 T323 | D317-S319 PolarHBondContact O-N 3.06Å; D317-S319 VanDerWaalsContact O-N 3.08Å; D317-S319 PolarHBondContact OD1-N 3.44Å; D317-S319 PolarHBondContact OD1-OG 2.89Å; S319-T323 WeakPolarHBondContact O-CB 3.31Å; S319-T323 PolarHBondContact O-N 3.3Å; S319-T323 PolarHBondContact O-OG1 3.38Å |
| 320 | Y | 66.8 | Low | 60.6 | Low | 102 Ų | 102 | 75.3 Ų | 75.3 | 40% | 0.4 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.1 | -49.2 | 174.2 | -178.6 | -98.6 | 0 | 0 | 0 | 110.7 | L241 D317 Q322 T323 V324 | L241-Y320 HydrophobicContact CD1-CE1 3.83Å; D317-Y320 WeakPolarHBondContact O-CB 3.47Å; D317-Y320 PolarHBondContact O-N 3.47Å; D317-Y320 VanDerWaalsContact O-N 3.08Å; Y320-Q322 VanDerWaalsContact C-N 3.34Å; Y320-Q322 PolarHBondContact O-N 2.93Å; Y320-T323 WeakPolarHBondContact O-CB 3.42Å; Y320-T323 PolarHBondContact O-N 2.92Å; Y320-T323 VanDerWaalsContact O-N 3.09Å; Y320-V324 HydrophobicContact CD1-CG2 4.04Å; Y320-V324 HydrophobicContact CD2-CG2 4.49Å; Y320-V324 HydrophobicContact CE1-CG2 3.61Å; Y320-V324 HydrophobicContact CE2-CG2 4.1Å; Y320-V324 HydrophobicContact CG-CG2 4.46Å; Y320-V324 WeakPolarHBondContact O-CG2 3.41Å; Y320-V324 PolarHBondContact O-N 3.27Å |
| 321 | D | 62.8 | Low | 62.6 | Low | 10 Ų | 10 | 74.5 Ų | 74.5 | 5% | 0.053 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.5 | -42.8 | -178.6 | -65.6 | -20.5 | 0 | 0 | 0 | 111.2 | Y245 A315 D317 T323 V324 M325 | Y245-D321 PolarHBondContact OH-OD1 2.94Å; Y245-D321 VanDerWaalsContact OH-OD1 3.06Å; Y245-D321 PolarHBondContact OH-OD2 3.35Å; Y245-D321 VanDerWaalsContact OH-OD2 3.05Å; A315-D321 WeakPolarHBondContact CA-OD2 3.47Å; A315-D321 VanDerWaalsContact CB-OD2 3.31Å; A315-D321 WeakPolarHBondContact CB-OD2 3.47Å; D317-D321 PolarHBondContact O-N 3.49Å; D321-T323 VanDerWaalsContact C-N 3.34Å; D321-T323 PolarHBondContact O-N 3.38Å; D321-V324 PolarHBondContact O-N 3.3Å; D321-M325 HydrophobicContact CB-CE 4.06Å; D321-M325 WeakPolarHBondContact O-CB 3.07Å; D321-M325 VanDerWaalsContact O-CE 3.3Å; D321-M325 WeakPolarHBondContact O-CE 3.13Å; D321-M325 WeakPolarHBondContact O-CG 3.34Å; D321-M325 PolarHBondContact O-N 3.43Å |
| 322 | Q | 65.6 | Low | 64.6 | Low | 72 Ų | 72 | 64.6 Ų | 64.6 | 34% | 0.336 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 174.6 | -77.9 | 174.4 | 9.9 | 0 | 0 | 112.7 | H308 L318 Y320 M325 T326 | H308-Q322 PolarHBondContact NE2-NE2 3.01Å; L318-Q322 WeakPolarHBondContact O-CB 3.35Å; L318-Q322 WeakPolarHBondContact O-CG 3.16Å; L318-Q322 PolarHBondContact O-N 2.91Å; Y320-Q322 VanDerWaalsContact C-N 3.34Å; Y320-Q322 PolarHBondContact O-N 2.93Å; Q322-M325 PolarHBondContact O-N 3.18Å; Q322-T326 VanDerWaalsContact O-CB 3.3Å; Q322-T326 WeakPolarHBondContact O-CB 3.48Å; Q322-T326 PolarHBondContact O-N 2.95Å; Q322-T326 PolarHBondContact O-OG1 3.26Å |
| 323 | T | 71.2 | Confident | 66.5 | Low | 80 Ų | 80 | 67.1 Ų | 67.1 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.8 | -47.8 | 179.4 | -57.1 | 0 | 0 | 0 | 0 | 110.5 | S319 Y320 D321 M325 T326 I327 | S319-T323 WeakPolarHBondContact O-CB 3.31Å; S319-T323 PolarHBondContact O-N 3.3Å; S319-T323 PolarHBondContact O-OG1 3.38Å; Y320-T323 WeakPolarHBondContact O-CB 3.42Å; Y320-T323 PolarHBondContact O-N 2.92Å; Y320-T323 VanDerWaalsContact O-N 3.09Å; D321-T323 VanDerWaalsContact C-N 3.34Å; D321-T323 PolarHBondContact O-N 3.38Å; T323-M325 VanDerWaalsContact C-N 3.35Å; T323-M325 PolarHBondContact O-N 3.39Å; T323-T326 PolarHBondContact O-N 3.41Å; T323-I327 HydrophobicContact CG2-CD1 3.92Å; T323-I327 VanDerWaalsContact O-CG1 3.29Å; T323-I327 WeakPolarHBondContact O-CG1 3.3Å; T323-I327 PolarHBondContact O-N 3.13Å |
| 324 | V | 69.4 | Low | 68.6 | Low | 13 Ų | 13 | 60.8 Ų | 60.8 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 176.3 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | F234 Y320 D321 T326 I327 N328 | F234-V324 HydrophobicContact CE1-CG1 4.47Å; F234-V324 HydrophobicContact CZ-CG1 3.85Å; Y320-V324 HydrophobicContact CD1-CG2 4.04Å; Y320-V324 HydrophobicContact CD2-CG2 4.49Å; Y320-V324 HydrophobicContact CE1-CG2 3.61Å; Y320-V324 HydrophobicContact CE2-CG2 4.1Å; Y320-V324 HydrophobicContact CG-CG2 4.46Å; Y320-V324 WeakPolarHBondContact O-CG2 3.41Å; Y320-V324 PolarHBondContact O-N 3.27Å; D321-V324 PolarHBondContact O-N 3.3Å; V324-T326 PolarHBondContact O-N 3.46Å; V324-I327 PolarHBondContact O-N 2.88Å; V324-N328 WeakPolarHBondContact O-CB 3.22Å; V324-N328 PolarHBondContact O-N 3.18Å |
| 325 | M | 70.2 | Confident | 70.6 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 3% | 0.034 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.3 | -38 | 179.7 | -71.2 | -174.6 | -68.3 | 0 | 0 | 112.9 | Y249 I303 S304 I307 D321 Q322 T323 N328 F329 | Y249-M325 HydrophobicContact CE2-CG 4.04Å; Y249-M325 HydrophobicContact CE2-SD 4.38Å; Y249-M325 WeakPolarHBondContact OH-CG 3.44Å; Y249-M325 PolarHBondContact OH-SD 3.14Å; I303-M325 HydrophobicContact CG2-SD 4.5Å; S304-M325 WeakPolarHBondContact CA-SD 3.13Å; S304-M325 WeakPolarHBondContact OG-CB 3.36Å; S304-M325 PolarHBondContact OG-SD 3.02Å; I307-M325 HydrophobicContact CD1-CE 3.98Å; I307-M325 HydrophobicContact CD1-SD 3.82Å; D321-M325 HydrophobicContact CB-CE 4.06Å; D321-M325 WeakPolarHBondContact O-CB 3.07Å; D321-M325 VanDerWaalsContact O-CE 3.3Å; D321-M325 WeakPolarHBondContact O-CE 3.13Å; D321-M325 WeakPolarHBondContact O-CG 3.34Å; D321-M325 PolarHBondContact O-N 3.43Å; Q322-M325 PolarHBondContact O-N 3.18Å; T323-M325 VanDerWaalsContact C-N 3.35Å; T323-M325 PolarHBondContact O-N 3.39Å; M325-N328 PolarHBondContact O-N 3.42Å; M325-F329 WeakPolarHBondContact O-CB 3.49Å; M325-F329 PolarHBondContact O-N 3.15Å |
| 326 | T | 72.2 | Confident | 72 | Confident | 93 Ų | 93 | 54.9 Ų | 54.9 | 57% | 0.571 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67.1 | -43.2 | 177.2 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | Q322 T323 V324 N328 F329 A330 | Q322-T326 VanDerWaalsContact O-CB 3.3Å; Q322-T326 WeakPolarHBondContact O-CB 3.48Å; Q322-T326 PolarHBondContact O-N 2.95Å; Q322-T326 PolarHBondContact O-OG1 3.26Å; T323-T326 PolarHBondContact O-N 3.41Å; V324-T326 PolarHBondContact O-N 3.46Å; T326-N328 VanDerWaalsContact C-N 3.33Å; T326-F329 PolarHBondContact O-N 3.43Å; T326-A330 WeakPolarHBondContact O-CB 3.27Å; T326-A330 PolarHBondContact O-N 3.09Å |
| 327 | I | 77 | Confident | 73.4 | Confident | 70 Ų | 70 | 52.8 Ų | 52.8 | 36% | 0.359 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 174.7 | -68.3 | 168.5 | 0 | 0 | 0 | 110 | F230 F234 T323 V324 F329 A330 A331 | F230-I327 HydrophobicContact CZ-CG2 4.04Å; F234-I327 HydrophobicContact CD2-CG2 4.43Å; F234-I327 HydrophobicContact CE2-CB 4.49Å; F234-I327 HydrophobicContact CE2-CG2 3.89Å; F234-I327 HydrophobicContact CZ-CG2 4.29Å; T323-I327 HydrophobicContact CG2-CD1 3.92Å; T323-I327 VanDerWaalsContact O-CG1 3.29Å; T323-I327 WeakPolarHBondContact O-CG1 3.3Å; T323-I327 PolarHBondContact O-N 3.13Å; V324-I327 PolarHBondContact O-N 2.88Å; I327-F329 PolarHBondContact O-N 2.85Å; I327-A330 PolarHBondContact O-N 3.46Å; I327-A331 WeakPolarHBondContact O-CB 3.17Å; I327-A331 PolarHBondContact O-N 3.18Å |
| 328 | N | 76.1 | Confident | 74.5 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 178.6 | -155 | 64 | 0 | 0 | 0 | 111.6 | E253 S300 V324 M325 T326 A330 A331 H332 | E253-N328 WeakPolarHBondContact CG-OD1 3.41Å; E253-N328 PolarHBondContact OE1-OD1 3.04Å; S300-N328 PolarHBondContact OG-ND2 3.46Å; V324-N328 WeakPolarHBondContact O-CB 3.22Å; V324-N328 PolarHBondContact O-N 3.18Å; M325-N328 PolarHBondContact O-N 3.42Å; T326-N328 VanDerWaalsContact C-N 3.33Å; N328-A330 PolarHBondContact O-N 2.97Å; N328-A331 PolarHBondContact O-N 2.87Å; N328-H332 PolarHBondContact ND2-CD2 3.03Å; N328-H332 PolarHBondContact ND2-NE2 2.76Å; N328-H332 PolarHBondContact O-CD2 2.66Å; N328-H332 PolarHBondContact O-N 2.79Å |
| 329 | F | 76.4 | Confident | 75.6 | Confident | 92 Ų | 92 | 46.9 Ų | 46.9 | 40% | 0.404 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59 | -47.7 | 175.9 | 177.9 | -93.6 | 0 | 0 | 0 | 111.9 | M325 T326 I327 A331 H332 F333 | M325-F329 WeakPolarHBondContact O-CB 3.49Å; M325-F329 PolarHBondContact O-N 3.15Å; T326-F329 PolarHBondContact O-N 3.43Å; I327-F329 PolarHBondContact O-N 2.85Å; F329-A331 VanDerWaalsContact C-N 3.35Å; F329-A331 PolarHBondContact O-N 2.71Å; F329-H332 PolarHBondContact O-N 3.03Å; F329-F333 WeakPolarHBondContact O-CB 3.5Å; F329-F333 PolarHBondContact O-N 3.35Å |
| 330 | A | 79 | Confident | 76.3 | Confident | 48 Ų | 48 | 44.7 Ų | 44.7 | 40% | 0.397 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63 | -40.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | T326 I327 N328 F333 V334 | T326-A330 WeakPolarHBondContact O-CB 3.27Å; T326-A330 PolarHBondContact O-N 3.09Å; I327-A330 PolarHBondContact O-N 3.46Å; N328-A330 PolarHBondContact O-N 2.97Å; A330-F333 PolarHBondContact O-N 2.96Å; A330-V334 WeakPolarHBondContact O-CG2 3.48Å; A330-V334 PolarHBondContact O-N 3.35Å |
| 331 | A | 83.5 | Confident | 76.9 | Confident | 12 Ų | 12 | 46.2 Ų | 46.2 | 10% | 0.099 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.3 | -49.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F230 I327 N328 F329 F333 V334 R335 | F230-A331 HydrophobicContact CE1-CB 4Å; I327-A331 WeakPolarHBondContact O-CB 3.17Å; I327-A331 PolarHBondContact O-N 3.18Å; N328-A331 PolarHBondContact O-N 2.87Å; F329-A331 VanDerWaalsContact C-N 3.35Å; F329-A331 PolarHBondContact O-N 2.71Å; A331-F333 VanDerWaalsContact C-N 3.33Å; A331-F333 PolarHBondContact O-N 2.8Å; A331-V334 PolarHBondContact O-N 3.42Å; A331-R335 WeakPolarHBondContact O-CG 3.32Å; A331-R335 PolarHBondContact O-N 2.8Å |
| 332 | H | 80.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.3 | -41.7 | 175.1 | -75 | -66.5 | 0 | 0 | 0 | 112.3 | E253 E293 Y296 S297 N328 F329 R335 A336 | E253-H332 IonicContact OE1-CD2 3.4Å; E253-H332 IonicContact OE1-CE1 2.99Å; E253-H332 IonicContact OE1-NE2 2.77Å; E253-H332 PolarHBondContact OE1-NE2 3.48Å; E293-H332 WeakPolarHBondContact OE2-CA 3.26Å; E293-H332 IonicContact OE2-CE1 3.85Å; E293-H332 IonicContact OE2-CG 3.08Å; E293-H332 IonicContact OE2-ND1 2.74Å; E293-H332 PolarHBondContact OE2-ND1 3.35Å; Y296-H332 WeakPolarHBondContact CB-CE1 3.39Å; Y296-H332 AromaticContact CD2-CE1 3.72Å; S297-H332 WeakPolarHBondContact OG-CB 3.02Å; N328-H332 PolarHBondContact ND2-CD2 3.03Å; N328-H332 PolarHBondContact ND2-NE2 2.76Å; N328-H332 PolarHBondContact O-CD2 2.66Å; N328-H332 PolarHBondContact O-N 2.79Å; F329-H332 PolarHBondContact O-N 3.03Å; H332-R335 PolarHBondContact CE1-NH2 3.41Å; H332-R335 PolarHBondContact ND1-NH2 2.94Å; H332-R335 PolarHBondContact O-N 3.24Å; H332-A336 WeakPolarHBondContact O-CB 3.34Å; H332-A336 PolarHBondContact O-N 3.43Å |
| 333 | F | 79 | Confident | 78.4 | Confident | 109 Ų | 109 | 42.9 Ų | 42.9 | 48% | 0.478 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.2 | -46.7 | 178.1 | -178.5 | -98.2 | 0 | 0 | 0 | 112.6 | F329 A330 A331 R335 A336 M337 | F329-F333 WeakPolarHBondContact O-CB 3.5Å; F329-F333 PolarHBondContact O-N 3.35Å; A330-F333 PolarHBondContact O-N 2.96Å; A331-F333 VanDerWaalsContact C-N 3.33Å; A331-F333 PolarHBondContact O-N 2.8Å; F333-R335 PolarHBondContact O-N 3.17Å; F333-A336 WeakPolarHBondContact O-CB 3.21Å; F333-A336 PolarHBondContact O-N 2.94Å; F333-M337 HydrophobicContact CD1-CG 4.45Å; F333-M337 HydrophobicContact CE1-CG 4.01Å; F333-M337 HydrophobicContact CZ-CG 4.08Å; F333-M337 HydrophobicContact CZ-SD 4.39Å; F333-M337 WeakPolarHBondContact O-CG 3.37Å; F333-M337 PolarHBondContact O-N 3.26Å |
| 334 | V | 83.5 | Confident | 78.4 | Confident | 72 Ų | 72 | 43.4 Ų | 43.4 | 44% | 0.436 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 177.5 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | L227 A330 A331 A336 M337 V338 | L227-V334 HydrophobicContact CD2-CG1 4.25Å; A330-V334 WeakPolarHBondContact O-CG2 3.48Å; A330-V334 PolarHBondContact O-N 3.35Å; A331-V334 PolarHBondContact O-N 3.42Å; V334-A336 PolarHBondContact O-N 3.43Å; V334-M337 PolarHBondContact O-N 3.27Å; V334-V338 WeakPolarHBondContact O-CG2 3.47Å; V334-V338 PolarHBondContact O-N 3.29Å |
| 335 | R | 85.1 | Confident | 78.7 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 175.7 | -73.2 | -172.5 | -64.4 | -147.5 | -10.3 | 112.3 | L227 S231 E253 C256 L260 E293 A331 H332 F333 M337 V338 T339 | L227-R335 HydrophobicContact CB-CG 4.4Å; L227-R335 HydrophobicContact CD1-CG 4.15Å; L227-R335 HydrophobicContact CD2-CG 4.47Å; S231-R335 PolarHBondContact OG-NH1 3.01Å; E253-R335 IonicContact OE1-CZ 2.96Å; E253-R335 IonicContact OE1-NH1 2.66Å; E253-R335 IonicContact OE1-NH2 3.99Å; E253-R335 PolarHBondContact OE1-NH2 3.49Å; E253-R335 IonicContact OE2-CZ 3.4Å; E253-R335 IonicContact OE2-NH1 4Å; E253-R335 PolarHBondContact OE2-NH1 3.24Å; E253-R335 IonicContact OE2-NH2 3.49Å; E253-R335 PolarHBondContact OE2-NH2 3.29Å; C256-R335 VanDerWaalsContact CB-NH1 3.3Å; L260-R335 VanDerWaalsContact CD1-CD 3.42Å; L260-R335 HydrophobicContact CD1-CG 3.84Å; E293-R335 VanDerWaalsContact CD-CB 3.46Å; E293-R335 VanDerWaalsContact CD-NE 3.3Å; E293-R335 HydrophobicContact CG-CB 3.92Å; E293-R335 VanDerWaalsContact OE1-CD 3.31Å; E293-R335 WeakPolarHBondContact OE1-CD 3.29Å; E293-R335 IonicContact OE1-CZ 3.69Å; E293-R335 IonicContact OE1-NE 3.2Å; E293-R335 PolarHBondContact OE1-NE 3.01Å; E293-R335 VanDerWaalsContact OE1-NE 3.08Å; E293-R335 IonicContact OE2-CZ 3.32Å; E293-R335 IonicContact OE2-NE 3.06Å; E293-R335 PolarHBondContact OE2-NE 3.13Å; E293-R335 IonicContact OE2-NH2 2.7Å; E293-R335 PolarHBondContact OE2-NH2 3.48Å; A331-R335 WeakPolarHBondContact O-CG 3.32Å; A331-R335 PolarHBondContact O-N 2.8Å; H332-R335 PolarHBondContact CE1-NH2 3.41Å; H332-R335 PolarHBondContact ND1-NH2 2.94Å; H332-R335 PolarHBondContact O-N 3.24Å; F333-R335 PolarHBondContact O-N 3.17Å; R335-M337 VanDerWaalsContact C-N 3.32Å; R335-M337 PolarHBondContact O-N 3.03Å; R335-V338 PolarHBondContact O-N 3.5Å; R335-T339 WeakPolarHBondContact O-CB 3.41Å; R335-T339 VanDerWaalsContact O-CG2 3.26Å; R335-T339 WeakPolarHBondContact O-CG2 3.49Å; R335-T339 PolarHBondContact O-N 2.81Å; R335-T339 PolarHBondContact O-OG1 2.95Å |
| 336 | A | 79.2 | Confident | 79 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.2 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F290 E293 H332 F333 V334 T339 A340 | F290-A336 HydrophobicContact CD2-CB 4.09Å; F290-A336 WeakPolarHBondContact CD2-O 3.28Å; F290-A336 HydrophobicContact CE2-CB 4.31Å; E293-A336 HydrophobicContact CB-CB 3.81Å; H332-A336 WeakPolarHBondContact O-CB 3.34Å; H332-A336 PolarHBondContact O-N 3.43Å; F333-A336 WeakPolarHBondContact O-CB 3.21Å; F333-A336 PolarHBondContact O-N 2.94Å; V334-A336 PolarHBondContact O-N 3.43Å; A336-T339 WeakPolarHBondContact CA-OG1 3.43Å; A336-T339 PolarHBondContact O-OG1 2.88Å; A336-A340 VanDerWaalsContact O-CB 3.25Å; A336-A340 WeakPolarHBondContact O-CB 3.34Å; A336-A340 PolarHBondContact O-N 3.33Å |
| 337 | M | 80.3 | Confident | 79 | Confident | 93 Ų | 93 | 42.7 Ų | 42.7 | 46% | 0.458 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.1 | -45.1 | 177.6 | -70.8 | -63.2 | 100.6 | 0 | 0 | 112.7 | F333 V334 R335 A340 Y341 | F333-M337 HydrophobicContact CD1-CG 4.45Å; F333-M337 HydrophobicContact CE1-CG 4.01Å; F333-M337 HydrophobicContact CZ-CG 4.08Å; F333-M337 HydrophobicContact CZ-SD 4.39Å; F333-M337 WeakPolarHBondContact O-CG 3.37Å; F333-M337 PolarHBondContact O-N 3.26Å; V334-M337 PolarHBondContact O-N 3.27Å; R335-M337 VanDerWaalsContact C-N 3.32Å; R335-M337 PolarHBondContact O-N 3.03Å; M337-A340 PolarHBondContact O-N 3.02Å; M337-Y341 WeakPolarHBondContact O-CB 3.4Å; M337-Y341 PolarHBondContact O-N 3.43Å |
| 338 | V | 84.5 | Confident | 78.5 | Confident | 32 Ų | 32 | 42.5 Ų | 42.5 | 19% | 0.194 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 179.7 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | V223 L224 L227 V334 R335 Y341 S342 | V223-V338 HydrophobicContact CG1-CG1 4.37Å; V223-V338 HydrophobicContact CG1-CG2 4.29Å; L224-V338 HydrophobicContact CD2-CG1 3.61Å; L224-V338 HydrophobicContact CG-CG1 4.42Å; L227-V338 HydrophobicContact CD1-CG2 4.29Å; V334-V338 WeakPolarHBondContact O-CG2 3.47Å; V334-V338 PolarHBondContact O-N 3.29Å; R335-V338 PolarHBondContact O-N 3.5Å; V338-Y341 PolarHBondContact O-N 2.94Å; V338-S342 WeakPolarHBondContact O-CB 3.41Å; V338-S342 PolarHBondContact O-N 2.96Å; V338-S342 PolarHBondContact O-OG 2.97Å |
| 339 | T | 83.3 | Confident | 78.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.5 | -40.9 | 179.2 | 52.3 | 0 | 0 | 0 | 0 | 111.8 | L260 Q289 R335 A336 S342 A343 | L260-T339 HydrophobicContact CD2-CG2 4.11Å; Q289-T339 HydrophobicContact CB-CG2 3.94Å; Q289-T339 HydrophobicContact CG-CG2 3.61Å; R335-T339 WeakPolarHBondContact O-CB 3.41Å; R335-T339 VanDerWaalsContact O-CG2 3.26Å; R335-T339 WeakPolarHBondContact O-CG2 3.49Å; R335-T339 PolarHBondContact O-N 2.81Å; R335-T339 PolarHBondContact O-OG1 2.95Å; A336-T339 WeakPolarHBondContact CA-OG1 3.43Å; A336-T339 PolarHBondContact O-OG1 2.88Å; T339-S342 PolarHBondContact O-N 2.97Å; T339-A343 WeakPolarHBondContact O-CB 3.33Å; T339-A343 PolarHBondContact O-N 3.1Å |
| 340 | A | 77 | Confident | 77.6 | Confident | 25 Ų | 25 | 41 Ų | 41 | 21% | 0.207 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.8 | -47.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F290 A336 M337 S342 A343 V344 | F290-A340 HydrophobicContact CD2-CB 3.86Å; F290-A340 HydrophobicContact CE2-CB 4.14Å; F290-A340 HydrophobicContact CG-CB 4.45Å; A336-A340 VanDerWaalsContact O-CB 3.25Å; A336-A340 WeakPolarHBondContact O-CB 3.34Å; A336-A340 PolarHBondContact O-N 3.33Å; M337-A340 PolarHBondContact O-N 3.02Å; A340-S342 VanDerWaalsContact C-N 3.3Å; A340-S342 PolarHBondContact O-N 3.06Å; A340-A343 PolarHBondContact O-N 3.24Å; A340-V344 WeakPolarHBondContact O-CG2 3.46Å; A340-V344 PolarHBondContact O-N 3.03Å |
| 341 | Y | 79.3 | Confident | 76.8 | Confident | 135 Ų | 135 | 46.9 Ų | 46.9 | 53% | 0.529 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.3 | -42.4 | 177.2 | -176.7 | -99.5 | 0 | 0 | 0 | 111.8 | F216 M337 V338 V344 R345 | F216-Y341 HydrophobicContact CD2-CE1 4.36Å; F216-Y341 AromaticContact CE2-CD1 3.95Å; F216-Y341 HydrophobicContact CE2-CD1 3.95Å; F216-Y341 AromaticContact CE2-CE1 3.77Å; F216-Y341 HydrophobicContact CE2-CE1 3.77Å; M337-Y341 WeakPolarHBondContact O-CB 3.4Å; M337-Y341 PolarHBondContact O-N 3.43Å; V338-Y341 PolarHBondContact O-N 2.94Å; Y341-V344 PolarHBondContact O-N 3.17Å; Y341-R345 PolarHBondContact O-N 3.21Å |
| 342 | S | 81.9 | Confident | 75.3 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 177.2 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | N286 V338 T339 A340 R345 L346 | N286-S342 WeakPolarHBondContact OD1-CB 3.08Å; V338-S342 WeakPolarHBondContact O-CB 3.41Å; V338-S342 PolarHBondContact O-N 2.96Å; V338-S342 PolarHBondContact O-OG 2.97Å; T339-S342 PolarHBondContact O-N 2.97Å; A340-S342 VanDerWaalsContact C-N 3.3Å; A340-S342 PolarHBondContact O-N 3.06Å; S342-R345 PolarHBondContact O-N 3.32Å; S342-L346 WeakPolarHBondContact O-CB 2.91Å; S342-L346 WeakPolarHBondContact O-CG 3.45Å; S342-L346 PolarHBondContact O-N 3.42Å |
| 343 | A | 77.7 | Confident | 73.6 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | L283 N286 V287 T339 A340 R345 L346 A347 | L283-A343 HydrophobicContact CD1-CB 3.95Å; L283-A343 WeakPolarHBondContact CD1-O 3.31Å; N286-A343 HydrophobicContact CB-CB 3.92Å; V287-A343 HydrophobicContact CG2-CB 4.09Å; T339-A343 WeakPolarHBondContact O-CB 3.33Å; T339-A343 PolarHBondContact O-N 3.1Å; A340-A343 PolarHBondContact O-N 3.24Å; A343-R345 PolarHBondContact O-N 2.91Å; A343-L346 PolarHBondContact O-N 3.32Å; A343-A347 VanDerWaalsContact O-CB 3.29Å; A343-A347 WeakPolarHBondContact O-CB 3.27Å; A343-A347 PolarHBondContact O-N 3.3Å |
| 344 | V | 71.4 | Confident | 72.1 | Confident | 90 Ų | 90 | 49.1 Ų | 49.1 | 55% | 0.545 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 178.7 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | A340 Y341 A347 S348 | A340-V344 WeakPolarHBondContact O-CG2 3.46Å; A340-V344 PolarHBondContact O-N 3.03Å; Y341-V344 PolarHBondContact O-N 3.17Å; V344-A347 PolarHBondContact O-N 3.48Å; V344-S348 PolarHBondContact O-N 3.18Å; V344-S348 VanDerWaalsContact O-N 3.07Å |
| 345 | R | 75.2 | Confident | 70.3 | Confident | 62 Ų | 62 | 51.4 Ų | 51.4 | 23% | 0.234 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.6 | -49.2 | 178.3 | -164.7 | 67.5 | 176.6 | 178.3 | 3.7 | 110.3 | L213 F216 Y341 S342 A343 A347 S348 I349 E727 | L213-R345 HydrophobicContact CD1-CG 4.41Å; F216-R345 HydrophobicContact CD1-CG 4.48Å; F216-R345 HydrophobicContact CG-CG 4.47Å; F216-R345 HydrophobicContact CZ-CB 4.41Å; Y341-R345 PolarHBondContact O-N 3.21Å; S342-R345 PolarHBondContact O-N 3.32Å; A343-R345 PolarHBondContact O-N 2.91Å; R345-A347 PolarHBondContact O-N 3.07Å; R345-S348 PolarHBondContact O-N 2.81Å; R345-S348 PolarHBondContact O-OG 3.43Å; R345-I349 HydrophobicContact CG-CD1 3.86Å; R345-I349 WeakPolarHBondContact O-CD1 3.47Å; R345-I349 PolarHBondContact O-N 2.89Å; R345-E727 IonicContact CZ-OE1 3.47Å; R345-E727 IonicContact NH1-OE1 2.94Å; R345-E727 PolarHBondContact NH1-OE1 3.48Å; R345-E727 IonicContact NH2-OE1 3.45Å; R345-E727 PolarHBondContact NH2-OE1 3.27Å |
| 346 | L | 76.6 | Confident | 68.5 | Low | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.7 | -44.3 | 177.3 | -80.2 | 164 | 0 | 0 | 0 | 112.8 | F217 L279 M282 L283 S342 A343 S348 I349 L350 | F217-L346 HydrophobicContact CE1-CD2 3.96Å; F217-L346 HydrophobicContact CZ-CD2 3.86Å; L279-L346 HydrophobicContact CD2-CD2 3.57Å; M282-L346 HydrophobicContact CB-CD1 4.28Å; M282-L346 HydrophobicContact CE-CD1 3.93Å; M282-L346 HydrophobicContact CE-CD2 3.91Å; M282-L346 HydrophobicContact CE-CG 4.48Å; M282-L346 HydrophobicContact CG-CD1 3.99Å; L283-L346 HydrophobicContact CB-CB 4.32Å; L283-L346 HydrophobicContact CD1-CB 4.1Å; S342-L346 WeakPolarHBondContact O-CB 2.91Å; S342-L346 WeakPolarHBondContact O-CG 3.45Å; S342-L346 PolarHBondContact O-N 3.42Å; A343-L346 PolarHBondContact O-N 3.32Å; L346-S348 VanDerWaalsContact C-N 3.31Å; L346-S348 PolarHBondContact O-N 3.24Å; L346-I349 PolarHBondContact O-N 3.45Å; L346-L350 WeakPolarHBondContact O-CB 3.37Å; L346-L350 WeakPolarHBondContact O-CG 3.45Å; L346-L350 PolarHBondContact O-N 2.86Å |
| 347 | A | 71.6 | Confident | 66.9 | Low | 35 Ų | 35 | 53.5 Ų | 53.5 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L283 A343 V344 R345 K351 V352 | L283-A347 HydrophobicContact CD1-CB 4.11Å; L283-A347 HydrophobicContact CD2-CB 4.32Å; A343-A347 VanDerWaalsContact O-CB 3.29Å; A343-A347 WeakPolarHBondContact O-CB 3.27Å; A343-A347 PolarHBondContact O-N 3.3Å; V344-A347 PolarHBondContact O-N 3.48Å; R345-A347 PolarHBondContact O-N 3.07Å; A347-K351 PolarHBondContact O-N 3.48Å; A347-V352 PolarHBondContact O-N 2.88Å |
| 348 | S | 67.4 | Low | 65.3 | Low | 67 Ų | 67 | 51 Ų | 51 | 47% | 0.469 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 177.9 | 73.9 | 0 | 0 | 0 | 0 | 112.4 | V344 R345 L346 K351 | V344-S348 PolarHBondContact O-N 3.18Å; V344-S348 VanDerWaalsContact O-N 3.07Å; R345-S348 PolarHBondContact O-N 2.81Å; R345-S348 PolarHBondContact O-OG 3.43Å; L346-S348 VanDerWaalsContact C-N 3.31Å; L346-S348 PolarHBondContact O-N 3.24Å; S348-K351 PolarHBondContact O-N 3.03Å |
| 349 | I | 66.5 | Low | 63.4 | Low | 54 Ų | 54 | 50.4 Ų | 50.4 | 28% | 0.277 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.3 | -42.1 | 179.3 | -78.9 | 98.9 | 0 | 0 | 0 | 112.1 | L213 R345 L346 K351 | L213-I349 HydrophobicContact CD1-CB 4.41Å; L213-I349 HydrophobicContact CD1-CD1 3.19Å; L213-I349 HydrophobicContact CD1-CG1 3.7Å; L213-I349 HydrophobicContact CD2-CG2 4.29Å; R345-I349 HydrophobicContact CG-CD1 3.86Å; R345-I349 WeakPolarHBondContact O-CD1 3.47Å; R345-I349 PolarHBondContact O-N 2.89Å; L346-I349 PolarHBondContact O-N 3.45Å; I349-K351 PolarHBondContact O-N 3.47Å |
| 350 | L | 66.9 | Low | 61.7 | Low | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -10.5 | 178.6 | -81.9 | 168.8 | 0 | 0 | 0 | 112.7 | R276 L279 K280 L283 L346 V352 | R276-L350 HydrophobicContact CG-CD2 3.74Å; L279-L350 HydrophobicContact CB-CD1 4.16Å; L279-L350 HydrophobicContact CB-CD2 3.74Å; L279-L350 HydrophobicContact CB-CG 4.17Å; L279-L350 HydrophobicContact CD1-CD2 4.37Å; K280-L350 HydrophobicContact CG-CD1 3.92Å; K280-L350 HydrophobicContact CG-CD2 4.1Å; L283-L350 HydrophobicContact CB-CD1 4.24Å; L283-L350 HydrophobicContact CD2-CD1 4.02Å; L346-L350 WeakPolarHBondContact O-CB 3.37Å; L346-L350 WeakPolarHBondContact O-CG 3.45Å; L346-L350 PolarHBondContact O-N 2.86Å; L350-V352 HydrophobicContact CB-CG2 3.53Å; L350-V352 HydrophobicContact CD1-CG2 4.23Å; L350-V352 PolarHBondContact O-N 3.48Å |
| 351 | K | 61.2 | Low | 60.3 | Low | 171 Ų | 171 | 64.6 Ų | 64.6 | 74% | 0.743 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.6 | 54.3 | -167.6 | -66.5 | -176.1 | 179.6 | -178.7 | 0 | 107.6 | A347 S348 I349 S353 | A347-K351 PolarHBondContact O-N 3.48Å; S348-K351 PolarHBondContact O-N 3.03Å; I349-K351 PolarHBondContact O-N 3.47Å; K351-S353 PolarHBondContact O-N 3.34Å |
| 352 | V | 53.5 | Low | 59.1 | Low | 71 Ų | 71 | 64 Ų | 64 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | trans | -64.9 | 82.9 | 174.6 | -175 | 0 | 0 | 0 | 0 | 105.9 | L283 A347 L350 L354 | L283-V352 HydrophobicContact CD2-CG2 4.04Å; A347-V352 PolarHBondContact O-N 2.88Å; L350-V352 HydrophobicContact CB-CG2 3.53Å; L350-V352 HydrophobicContact CD1-CG2 4.23Å; L350-V352 PolarHBondContact O-N 3.48Å; V352-L354 PolarHBondContact O-N 3.33Å; V352-L354 VanDerWaalsContact O-N 3.1Å | ||
| 353 | S | 44.3 | Very low | 57.8 | Low | 52 Ų | 52 | 67.2 Ų | 67.2 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | trans | -80.9 | 98.1 | -174 | 169.7 | 0 | 0 | 0 | 0 | 104.9 | K351 Q355 W356 | K351-S353 PolarHBondContact O-N 3.34Å; S353-Q355 PolarHBondContact O-N 3.28Å; S353-Q355 WeakPolarHBondContact OG-CB 3.49Å; S353-Q355 VanDerWaalsContact OG-CD 3.23Å; S353-Q355 WeakPolarHBondContact OG-CG 3.3Å; S353-Q355 PolarHBondContact OG-N 3.23Å; S353-Q355 PolarHBondContact OG-OE1 3.34Å; S353-W356 PolarHBondContact O-NE1 3.25Å | ||
| 354 | L | 47.1 | Very low | 57.1 | Low | 46 Ų | 46 | 76.3 Ų | 76.3 | 24% | 0.241 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -74.1 | 17 | 161.9 | -76.5 | 143.2 | 0 | 0 | 0 | 111.1 | V352 W356 A357 L358 I432 I594 | V352-L354 PolarHBondContact O-N 3.33Å; V352-L354 VanDerWaalsContact O-N 3.1Å; L354-W356 HydrophobicContact CD2-CH2 4.26Å; L354-W356 HydrophobicContact CD2-CZ2 3.54Å; L354-W356 PolarHBondContact O-N 2.89Å; L354-A357 HydrophobicContact CD2-CB 4.4Å; L354-A357 WeakPolarHBondContact O-CA 3.29Å; L354-A357 WeakPolarHBondContact O-CB 3.19Å; L354-A357 PolarHBondContact O-N 2.98Å; L354-L358 WeakPolarHBondContact O-CG 3.31Å; L354-L358 PolarHBondContact O-N 2.87Å; L354-L358 VanDerWaalsContact O-N 3.12Å; L354-I432 HydrophobicContact CD1-CB 4.23Å; L354-I432 HydrophobicContact CD1-CD1 3.26Å; L354-I432 HydrophobicContact CD1-CG1 4.2Å; L354-I594 HydrophobicContact CD2-CD1 4.16Å |
| 355 | Q | 47 | Very low | 57 | Low | 119 Ų | 119 | 72.8 Ų | 72.8 | 56% | 0.556 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -55.4 | -21.6 | 174.9 | -69.8 | 173.6 | -23.6 | 0 | 0 | 112.6 | S353 A357 L358 R700 | S353-Q355 PolarHBondContact O-N 3.28Å; S353-Q355 WeakPolarHBondContact OG-CB 3.49Å; S353-Q355 VanDerWaalsContact OG-CD 3.23Å; S353-Q355 WeakPolarHBondContact OG-CG 3.3Å; S353-Q355 PolarHBondContact OG-N 3.23Å; S353-Q355 PolarHBondContact OG-OE1 3.34Å; Q355-A357 VanDerWaalsContact C-N 3.31Å; Q355-L358 HydrophobicContact CB-CD1 4.3Å; Q355-L358 HydrophobicContact CG-CD1 3.92Å; Q355-L358 PolarHBondContact O-N 3.31Å; Q355-R700 PolarHBondContact O-NH1 3.25Å; Q355-R700 PolarHBondContact O-NH2 3.35Å |
| 356 | W | 46.7 | Very low | 56.9 | Low | 46 Ų | 46 | 71.9 Ų | 71.9 | 17% | 0.174 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -67.5 | -27.8 | 171.8 | 61.3 | -94.6 | 0 | 0 | 0 | 113.8 | S353 L354 I594 F693 L697 R700 | S353-W356 PolarHBondContact O-NE1 3.25Å; L354-W356 HydrophobicContact CD2-CH2 4.26Å; L354-W356 HydrophobicContact CD2-CZ2 3.54Å; L354-W356 PolarHBondContact O-N 2.89Å; W356-I594 HydrophobicContact CH2-CD1 4.27Å; W356-I594 HydrophobicContact CH2-CG1 4.42Å; W356-F693 HydrophobicContact CH2-CB 4.11Å; W356-F693 AromaticContact CH2-CD1 3.21Å; W356-F693 HydrophobicContact CH2-CD1 3.21Å; W356-F693 HydrophobicContact CH2-CD2 4.49Å; W356-F693 AromaticContact CH2-CE1 3.61Å; W356-F693 HydrophobicContact CH2-CE1 3.61Å; W356-F693 AromaticContact CH2-CG 3.73Å; W356-F693 HydrophobicContact CH2-CG 3.73Å; W356-F693 HydrophobicContact CH2-CZ 4.42Å; W356-F693 HydrophobicContact CZ2-CD1 4.43Å; W356-F693 AromaticContact CZ3-CD1 3.4Å; W356-F693 HydrophobicContact CZ3-CD1 3.4Å; W356-F693 VanDerWaalsContact CZ3-CD1 3.4Å; W356-F693 AromaticContact CZ3-CE1 3.87Å; W356-F693 HydrophobicContact CZ3-CE1 3.87Å; W356-F693 HydrophobicContact CZ3-CG 4.24Å; W356-L697 HydrophobicContact CB-CD2 3.58Å; W356-L697 VanDerWaalsContact CD1-CD2 3.42Å; W356-L697 HydrophobicContact CD2-CD2 3.82Å; W356-L697 HydrophobicContact CD2-CG 4.09Å; W356-L697 HydrophobicContact CG-CD2 3.32Å; W356-L697 HydrophobicContact CG-CG 4.12Å; W356-R700 PolarHBondContact O-NH1 3.4Å |
| 357 | A | 45.5 | Very low | 57 | Low | 5 Ų | 5 | 77.5 Ų | 77.5 | 4% | 0.041 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -23.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | L354 Q355 I594 | L354-A357 HydrophobicContact CD2-CB 4.4Å; L354-A357 WeakPolarHBondContact O-CA 3.29Å; L354-A357 WeakPolarHBondContact O-CB 3.19Å; L354-A357 PolarHBondContact O-N 2.98Å; Q355-A357 VanDerWaalsContact C-N 3.31Å; A357-I594 HydrophobicContact CB-CD1 3.34Å |
| 358 | L | 47.7 | Very low | 57.6 | Low | 42 Ų | 42 | 80 Ų | 80 | 22% | 0.22 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -67.8 | 144.1 | 174.4 | -56.5 | 180 | 0 | 0 | 0 | 110.4 | L354 Q355 D431 R700 | L354-L358 WeakPolarHBondContact O-CG 3.31Å; L354-L358 PolarHBondContact O-N 2.87Å; L354-L358 VanDerWaalsContact O-N 3.12Å; Q355-L358 HydrophobicContact CB-CD1 4.3Å; Q355-L358 HydrophobicContact CG-CD1 3.92Å; Q355-L358 PolarHBondContact O-N 3.31Å; L358-D431 HydrophobicContact CD2-CB 3.21Å; L358-D431 WeakPolarHBondContact CD2-OD2 3.5Å; L358-R700 PolarHBondContact O-NH1 2.99Å |
| 359 | P | 44.8 | Very low | 58.3 | Low | 18 Ų | 18 | 78.9 Ų | 78.9 | 12% | 0.117 | 40% | 0.401 | C | S | . | . | trans | -60.3 | 149.3 | 172.9 | 24.2 | -29.5 | 0 | 0 | 0 | 111.1 | E361 D431 Q510 | P359-E361 VanDerWaalsContact CB-O 3.3Å; P359-E361 WeakPolarHBondContact CB-O 3.42Å; P359-E361 WeakPolarHBondContact CG-O 3.29Å; P359-E361 PolarHBondContact O-N 3.12Å; P359-D431 WeakPolarHBondContact CD-OD2 3.35Å; P359-Q510 WeakPolarHBondContact CB-O 3.31Å; P359-Q510 WeakPolarHBondContact CD-O 3.44Å; P359-Q510 HydrophobicContact CG-CB 4.34Å; P359-Q510 WeakPolarHBondContact CG-O 3.45Å | ||
| 360 | R | 45.6 | Very low | 59 | Low | 165 Ų | 165 | 78 Ų | 78 | 62% | 0.623 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -55.4 | -32.4 | 173.9 | -107.1 | -177.4 | 170.5 | 172.7 | -3.5 | 112 | E707 | R360-E707 IonicContact CZ-OE1 2.79Å; R360-E707 IonicContact NH1-OE1 3.76Å; R360-E707 VanDerWaalsContact NH2-CD 3.25Å; R360-E707 IonicContact NH2-OE1 2.64Å; R360-E707 PolarHBondContact NH2-OE1 2.97Å; R360-E707 IonicContact NH2-OE2 3.3Å; R360-E707 PolarHBondContact NH2-OE2 3.22Å |
| 361 | E | 49.2 | Very low | 59.9 | Low | 159 Ų | 159 | 85.8 Ų | 85.8 | 74% | 0.743 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -124.4 | 123.4 | 173.2 | -70.5 | 177.9 | 166.1 | 0 | 0 | 108.5 | P359 V363 | P359-E361 VanDerWaalsContact CB-O 3.3Å; P359-E361 WeakPolarHBondContact CB-O 3.42Å; P359-E361 WeakPolarHBondContact CG-O 3.29Å; P359-E361 PolarHBondContact O-N 3.12Å; E361-V363 PolarHBondContact O-N 3.43Å |
| 362 | K | 53.3 | Low | 61.2 | Low | 123 Ų | 123 | 81.5 Ų | 81.5 | 54% | 0.535 | 41% | 0.408 | S | S | . | . | trans | -63.7 | 94 | 166 | -79.7 | -170.9 | 175.9 | -172.4 | 0 | 107.1 | K364 | K362-K364 PolarHBondContact O-N 2.9Š| ||
| 363 | V | 55.6 | Low | 62.8 | Low | 67 Ų | 67 | 78.1 Ų | 78.1 | 41% | 0.406 | 39% | 0.388 | S | S | . | . | trans | -55.8 | 110.1 | 168.1 | -177.8 | 0 | 0 | 0 | 0 | 105.6 | E361 L365 I509 | E361-V363 PolarHBondContact O-N 3.43Å; V363-L365 VanDerWaalsContact C-N 3.34Å; V363-L365 PolarHBondContact O-N 3.27Å; V363-I509 HydrophobicContact CG1-CG2 4.22Å | ||
| 364 | K | 61.9 | Low | 64.8 | Low | 203 Ų | 203 | 79.5 Ų | 79.5 | 88% | 0.883 | 39% | 0.39 | S | S | * | . | trans | -61.4 | 102 | 176 | -79.9 | -176 | 178.2 | 176.7 | 0 | 106.6 | K362 G366 | K362-K364 PolarHBondContact O-N 2.9Å; K364-G366 PolarHBondContact O-N 3.34Å | ||
| 365 | L | 69.2 | Low | 66.8 | Low | 16 Ų | 16 | 79.5 Ų | 79.5 | 8% | 0.084 | 40% | 0.397 | C | S | . | . | trans | -58.7 | 132 | 171.7 | -73.5 | 170.1 | 0 | 0 | 0 | 107.7 | V363 V369 Y370 Y425 V506 | V363-L365 VanDerWaalsContact C-N 3.34Å; V363-L365 PolarHBondContact O-N 3.27Å; L365-V369 HydrophobicContact CB-CB 4.3Å; L365-V369 HydrophobicContact CD1-CG1 4.25Å; L365-V369 HydrophobicContact CD2-CB 4.42Å; L365-V369 HydrophobicContact CD2-CG1 4.11Å; L365-V369 HydrophobicContact CD2-CG2 4.44Å; L365-Y370 HydrophobicContact CB-CD2 4.27Å; L365-Y370 HydrophobicContact CB-CE2 3.67Å; L365-Y370 HydrophobicContact CD1-CE1 4.27Å; L365-Y370 WeakPolarHBondContact O-CE2 3.39Å; L365-Y425 HydrophobicContact CD1-CE1 4.45Å; L365-Y425 VanDerWaalsContact CD1-OH 3.23Å; L365-Y425 WeakPolarHBondContact CD1-OH 3.13Å; L365-V506 HydrophobicContact CD1-CG1 3.76Å; L365-V506 HydrophobicContact CD2-CG1 4.25Å | ||
| 366 | G | 72.6 | Confident | 68.9 | Low | 42 Ų | 42 | 74.4 Ų | 74.4 | 43% | 0.433 | 37% | 0.374 | S | S | . | . | trans | -58.5 | 151.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | K364 S368 V369 Y370 | K364-G366 PolarHBondContact O-N 3.34Å; G366-S368 PolarHBondContact O-N 3.28Å; G366-V369 PolarHBondContact O-N 3.45Å; G366-Y370 PolarHBondContact O-N 3.32Å | ||
| 367 | N | 79.7 | Confident | 70.8 | Confident | 119 Ų | 119 | 72.9 Ų | 72.9 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -52.9 | -27.7 | 177.6 | -83.3 | -9.3 | 0 | 0 | 0 | 113 | Y370 R371 | N367-Y370 PolarHBondContact O-N 2.95Å; N367-R371 WeakPolarHBondContact O-CB 3.43Å; N367-R371 WeakPolarHBondContact O-CG 3.34Å; N367-R371 PolarHBondContact O-N 3.28Å |
| 368 | S | 83.2 | Confident | 72.8 | Confident | 89 Ų | 89 | 76.2 Ų | 76.2 | 62% | 0.622 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.8 | -39.3 | 175.4 | -49.8 | 0 | 0 | 0 | 0 | 112.9 | G366 R371 L372 | G366-S368 PolarHBondContact O-N 3.28Å; S368-R371 PolarHBondContact O-N 3.42Å; S368-L372 WeakPolarHBondContact O-CB 3.31Å; S368-L372 PolarHBondContact O-N 3.1Å |
| 369 | V | 82.3 | Confident | 74.9 | Confident | 43 Ų | 43 | 77.7 Ų | 77.7 | 26% | 0.261 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -70.2 | -40.3 | 178.2 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | L365 G366 L372 L373 V506 | L365-V369 HydrophobicContact CB-CB 4.3Å; L365-V369 HydrophobicContact CD1-CG1 4.25Å; L365-V369 HydrophobicContact CD2-CB 4.42Å; L365-V369 HydrophobicContact CD2-CG1 4.11Å; L365-V369 HydrophobicContact CD2-CG2 4.44Å; G366-V369 PolarHBondContact O-N 3.45Å; V369-L372 WeakPolarHBondContact O-CB 3.43Å; V369-L372 PolarHBondContact O-N 2.73Å; V369-L373 HydrophobicContact CG1-CD1 4.28Å; V369-L373 WeakPolarHBondContact O-CG 3.49Å; V369-L373 PolarHBondContact O-N 3.09Å; V369-V506 HydrophobicContact CG1-CG2 3.83Å |
| 370 | Y | 81.1 | Confident | 77 | Confident | 35 Ų | 35 | 76.9 Ų | 76.9 | 14% | 0.137 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 174.3 | -74.2 | -60.5 | 0 | 0 | 0 | 112.3 | L365 G366 N367 L372 L373 I374 Y425 K429 | L365-Y370 HydrophobicContact CB-CD2 4.27Å; L365-Y370 HydrophobicContact CB-CE2 3.67Å; L365-Y370 HydrophobicContact CD1-CE1 4.27Å; L365-Y370 WeakPolarHBondContact O-CE2 3.39Å; G366-Y370 PolarHBondContact O-N 3.32Å; N367-Y370 PolarHBondContact O-N 2.95Å; Y370-L372 VanDerWaalsContact C-N 3.31Å; Y370-L372 PolarHBondContact O-N 2.75Å; Y370-L373 PolarHBondContact O-N 3.11Å; Y370-I374 VanDerWaalsContact O-CG1 3.27Å; Y370-I374 WeakPolarHBondContact O-CG1 3.48Å; Y370-I374 PolarHBondContact O-N 3.29Å; Y370-Y425 AromaticContact CE1-CE1 3.95Å; Y370-Y425 HydrophobicContact CE1-CE1 3.95Å; Y370-K429 HydrophobicContact CE1-CD 3.72Å; Y370-K429 WeakPolarHBondContact OH-CD 3.42Å; Y370-K429 VanDerWaalsContact OH-CE 3.26Å; Y370-K429 WeakPolarHBondContact OH-CE 3.21Å |
| 371 | R | 86.3 | Confident | 78.8 | Confident | 171 Ų | 171 | 73.3 Ų | 73.3 | 65% | 0.645 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60 | -41.7 | 173.5 | -79.8 | -172.4 | -104 | -172 | -6 | 112 | N367 S368 I374 A375 | N367-R371 WeakPolarHBondContact O-CB 3.43Å; N367-R371 WeakPolarHBondContact O-CG 3.34Å; N367-R371 PolarHBondContact O-N 3.28Å; S368-R371 PolarHBondContact O-N 3.42Å; R371-I374 PolarHBondContact O-N 3.48Å; R371-A375 WeakPolarHBondContact O-CB 3.15Å; R371-A375 PolarHBondContact O-N 3.12Å |
| 372 | L | 89.7 | Confident | 80.7 | Confident | 81 Ų | 81 | 70.9 Ų | 70.9 | 42% | 0.424 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 174.7 | -179.2 | 64.5 | 0 | 0 | 0 | 111.8 | S368 V369 Y370 I374 A375 I376 V502 | S368-L372 WeakPolarHBondContact O-CB 3.31Å; S368-L372 PolarHBondContact O-N 3.1Å; V369-L372 WeakPolarHBondContact O-CB 3.43Å; V369-L372 PolarHBondContact O-N 2.73Å; Y370-L372 VanDerWaalsContact C-N 3.31Å; Y370-L372 PolarHBondContact O-N 2.75Å; L372-I374 VanDerWaalsContact C-N 3.33Å; L372-I374 PolarHBondContact O-N 3.02Å; L372-A375 WeakPolarHBondContact O-CB 3.29Å; L372-A375 PolarHBondContact O-N 3.01Å; L372-I376 HydrophobicContact CD1-CD1 4.39Å; L372-I376 HydrophobicContact CG-CD1 4.04Å; L372-I376 VanDerWaalsContact O-CG1 3.31Å; L372-I376 WeakPolarHBondContact O-CG1 3.35Å; L372-I376 PolarHBondContact O-N 3.18Å; L372-V502 HydrophobicContact CD2-CG1 3.88Å; L372-V502 HydrophobicContact CD2-CG2 4.34Å |
| 373 | L | 85.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.4 | -36.3 | 178.3 | -68.9 | 172 | 0 | 0 | 0 | 112.5 | V369 Y370 I376 T377 L422 Y425 V426 L503 | V369-L373 HydrophobicContact CG1-CD1 4.28Å; V369-L373 WeakPolarHBondContact O-CG 3.49Å; V369-L373 PolarHBondContact O-N 3.09Å; Y370-L373 PolarHBondContact O-N 3.11Å; L373-I376 PolarHBondContact O-N 3.39Å; L373-T377 WeakPolarHBondContact O-CB 3.38Å; L373-T377 PolarHBondContact O-N 3.48Å; L373-T377 PolarHBondContact O-OG1 3.47Å; L373-L422 HydrophobicContact CD2-CD2 4.19Å; L373-Y425 HydrophobicContact CD1-CD1 3.99Å; L373-Y425 HydrophobicContact CD1-CE1 3.67Å; L373-V426 HydrophobicContact CB-CG2 4.22Å; L373-L503 HydrophobicContact CD2-CD2 3.72Å |
| 374 | I | 85.5 | Confident | 83.6 | Confident | 80 Ų | 80 | 62.9 Ų | 62.9 | 41% | 0.41 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 172.6 | -67.2 | 167.2 | 0 | 0 | 0 | 110.2 | Y370 R371 L372 I376 T377 C378 V426 | Y370-I374 VanDerWaalsContact O-CG1 3.27Å; Y370-I374 WeakPolarHBondContact O-CG1 3.48Å; Y370-I374 PolarHBondContact O-N 3.29Å; R371-I374 PolarHBondContact O-N 3.48Å; L372-I374 VanDerWaalsContact C-N 3.33Å; L372-I374 PolarHBondContact O-N 3.02Å; I374-I376 VanDerWaalsContact C-N 3.33Å; I374-I376 PolarHBondContact O-N 3.45Å; I374-T377 VanDerWaalsContact O-CB 3.31Å; I374-T377 WeakPolarHBondContact O-CB 3.42Å; I374-T377 PolarHBondContact O-N 2.93Å; I374-T377 VanDerWaalsContact O-N 3.11Å; I374-C378 PolarHBondContact O-N 3.28Å; I374-C378 PolarHBondContact O-SG 2.77Å; I374-C378 VanDerWaalsContact O-SG 3.39Å; I374-V426 HydrophobicContact CD1-CG1 3.99Å; I374-V426 HydrophobicContact CG1-CG1 3.82Å; I374-V426 HydrophobicContact CG1-CG2 4.1Å |
| 375 | A | 90.7 | Very high | 84.6 | Confident | 47 Ų | 47 | 58.3 Ų | 58.3 | 39% | 0.388 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R371 L372 T377 C378 I379 | R371-A375 WeakPolarHBondContact O-CB 3.15Å; R371-A375 PolarHBondContact O-N 3.12Å; L372-A375 WeakPolarHBondContact O-CB 3.29Å; L372-A375 PolarHBondContact O-N 3.01Å; A375-T377 VanDerWaalsContact C-N 3.33Å; A375-T377 PolarHBondContact O-N 2.76Å; A375-C378 PolarHBondContact O-N 2.9Å; A375-I379 VanDerWaalsContact O-CG1 3.31Å; A375-I379 WeakPolarHBondContact O-CG1 3.42Å; A375-I379 PolarHBondContact O-N 3.09Å |
| 376 | I | 90.4 | Very high | 85.4 | Confident | 12 Ų | 12 | 59.8 Ų | 59.8 | 6% | 0.062 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.2 | -47.4 | 173.6 | -71.5 | 169.5 | 0 | 0 | 0 | 110.3 | L372 L373 I374 C378 I379 Y380 L422 T499 V502 | L372-I376 HydrophobicContact CD1-CD1 4.39Å; L372-I376 HydrophobicContact CG-CD1 4.04Å; L372-I376 VanDerWaalsContact O-CG1 3.31Å; L372-I376 WeakPolarHBondContact O-CG1 3.35Å; L372-I376 PolarHBondContact O-N 3.18Å; L373-I376 PolarHBondContact O-N 3.39Å; I374-I376 VanDerWaalsContact C-N 3.33Å; I374-I376 PolarHBondContact O-N 3.45Å; I376-C378 VanDerWaalsContact C-N 3.3Å; I376-C378 PolarHBondContact O-N 3.47Å; I376-I379 PolarHBondContact O-N 3.43Å; I376-I379 VanDerWaalsContact O-N 3.13Å; I376-Y380 HydrophobicContact CG2-CD2 3.6Å; I376-Y380 HydrophobicContact CG2-CE2 3.61Å; I376-Y380 VanDerWaalsContact O-CD2 3.26Å; I376-Y380 WeakPolarHBondContact O-CD2 3.43Å; I376-Y380 PolarHBondContact O-N 2.97Å; I376-L422 HydrophobicContact CG2-CD1 3.68Å; I376-T499 HydrophobicContact CD1-CG2 4.42Å; I376-T499 HydrophobicContact CG2-CG2 3.7Å; I376-V502 HydrophobicContact CD1-CG1 4.28Å |
| 377 | T | 85.8 | Confident | 85.8 | Confident | 13 Ų | 13 | 57.8 Ų | 57.8 | 8% | 0.08 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.1 | -45.2 | 178 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | L373 I374 A375 Y380 L381 G419 L422 | L373-T377 WeakPolarHBondContact O-CB 3.38Å; L373-T377 PolarHBondContact O-N 3.48Å; L373-T377 PolarHBondContact O-OG1 3.47Å; I374-T377 VanDerWaalsContact O-CB 3.31Å; I374-T377 WeakPolarHBondContact O-CB 3.42Å; I374-T377 PolarHBondContact O-N 2.93Å; I374-T377 VanDerWaalsContact O-N 3.11Å; A375-T377 VanDerWaalsContact C-N 3.33Å; A375-T377 PolarHBondContact O-N 2.76Å; T377-Y380 PolarHBondContact O-N 3.44Å; T377-L381 HydrophobicContact CG2-CD1 4.2Å; T377-L381 PolarHBondContact O-N 3.04Å; T377-L381 VanDerWaalsContact O-N 3.08Å; T377-G419 WeakPolarHBondContact CG2-O 3.25Å; T377-L422 WeakPolarHBondContact OG1-CB 3.44Å |
| 378 | C | 88.7 | Confident | 85.6 | Confident | 75 Ų | 75 | 54.9 Ų | 54.9 | 51% | 0.507 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 176.8 | -65.4 | 0 | 0 | 0 | 0 | 112.7 | I374 A375 I376 Y380 L381 L382 | I374-C378 PolarHBondContact O-N 3.28Å; I374-C378 PolarHBondContact O-SG 2.77Å; I374-C378 VanDerWaalsContact O-SG 3.39Å; A375-C378 PolarHBondContact O-N 2.9Å; I376-C378 VanDerWaalsContact C-N 3.3Å; I376-C378 PolarHBondContact O-N 3.47Å; C378-Y380 VanDerWaalsContact C-N 3.33Å; C378-Y380 PolarHBondContact O-N 2.91Å; C378-L381 PolarHBondContact O-N 3.44Å; C378-L382 WeakPolarHBondContact O-CB 3.34Å; C378-L382 PolarHBondContact O-N 2.91Å |
| 379 | I | 91.8 | Very high | 85.4 | Confident | 74 Ų | 74 | 52.9 Ų | 52.9 | 38% | 0.379 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 176.9 | -68.1 | 164.5 | 0 | 0 | 0 | 110.5 | A375 I376 L382 L383 V495 | A375-I379 VanDerWaalsContact O-CG1 3.31Å; A375-I379 WeakPolarHBondContact O-CG1 3.42Å; A375-I379 PolarHBondContact O-N 3.09Å; I376-I379 PolarHBondContact O-N 3.43Å; I376-I379 VanDerWaalsContact O-N 3.13Å; I379-L382 PolarHBondContact O-N 2.74Å; I379-L383 HydrophobicContact CG2-CD1 4.11Å; I379-L383 HydrophobicContact CG2-CG 4.45Å; I379-L383 WeakPolarHBondContact O-CG 3.41Å; I379-L383 PolarHBondContact O-N 2.66Å; I379-V495 HydrophobicContact CG2-CG1 3.83Å; I379-V495 HydrophobicContact CG2-CG2 4.22Å |
| 380 | Y | 88.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 177.7 | -87 | -74.6 | 0 | 0 | 0 | 113 | I376 T377 C378 L383 A384 L415 I418 V495 S496 T499 | I376-Y380 HydrophobicContact CG2-CD2 3.6Å; I376-Y380 HydrophobicContact CG2-CE2 3.61Å; I376-Y380 VanDerWaalsContact O-CD2 3.26Å; I376-Y380 WeakPolarHBondContact O-CD2 3.43Å; I376-Y380 PolarHBondContact O-N 2.97Å; T377-Y380 PolarHBondContact O-N 3.44Å; C378-Y380 VanDerWaalsContact C-N 3.33Å; C378-Y380 PolarHBondContact O-N 2.91Å; Y380-L383 PolarHBondContact O-N 3.34Å; Y380-A384 WeakPolarHBondContact O-CB 3.39Å; Y380-A384 PolarHBondContact O-N 2.89Å; Y380-L415 HydrophobicContact CD1-CB 4.25Å; Y380-L415 HydrophobicContact CD1-CD2 3.26Å; Y380-L415 HydrophobicContact CD1-CG 4.31Å; Y380-L415 HydrophobicContact CE1-CD2 3.44Å; Y380-L415 VanDerWaalsContact CE1-CD2 3.44Å; Y380-I418 HydrophobicContact CD1-CB 4.16Å; Y380-I418 HydrophobicContact CD1-CD1 3.69Å; Y380-I418 HydrophobicContact CD1-CG2 4.03Å; Y380-I418 HydrophobicContact CD2-CG2 3.62Å; Y380-I418 HydrophobicContact CE1-CD1 3.35Å; Y380-I418 HydrophobicContact CE1-CG2 4.27Å; Y380-I418 HydrophobicContact CE2-CG2 3.86Å; Y380-I418 HydrophobicContact CG-CB 4.21Å; Y380-I418 HydrophobicContact CG-CD1 4.48Å; Y380-I418 HydrophobicContact CG-CG2 3.72Å; Y380-V495 HydrophobicContact CE2-CG1 4.08Å; Y380-S496 WeakPolarHBondContact OH-CA 3.42Å; Y380-S496 PolarHBondContact OH-OG 3.09Å; Y380-S496 VanDerWaalsContact OH-OG 3.09Å; Y380-T499 HydrophobicContact CE2-CG2 3.84Å; Y380-T499 WeakPolarHBondContact CE2-OG1 3.38Å |
| 381 | L | 82.4 | Confident | 84.5 | Confident | 91 Ų | 91 | 50.5 Ų | 50.5 | 48% | 0.476 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 172.3 | -93.1 | 146.7 | 0 | 0 | 0 | 111.7 | T377 C378 A384 I385 | T377-L381 HydrophobicContact CG2-CD1 4.2Å; T377-L381 PolarHBondContact O-N 3.04Å; T377-L381 VanDerWaalsContact O-N 3.08Å; C378-L381 PolarHBondContact O-N 3.44Å; L381-A384 PolarHBondContact O-N 3.28Å; L381-I385 VanDerWaalsContact O-CG1 3.29Å; L381-I385 WeakPolarHBondContact O-CG1 3.37Å; L381-I385 PolarHBondContact O-N 3.09Å |
| 382 | L | 89.7 | Confident | 83.8 | Confident | 107 Ų | 107 | 47.5 Ų | 47.5 | 56% | 0.56 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.2 | -46 | 176.7 | -177.9 | 64.4 | 0 | 0 | 0 | 111.4 | C378 I379 A384 I385 C386 | C378-L382 WeakPolarHBondContact O-CB 3.34Å; C378-L382 PolarHBondContact O-N 2.91Å; I379-L382 PolarHBondContact O-N 2.74Å; L382-A384 VanDerWaalsContact C-N 3.32Å; L382-A384 PolarHBondContact O-N 3.43Å; L382-I385 PolarHBondContact O-N 3.02Å; L382-C386 PolarHBondContact O-N 3.26Å; L382-C386 PolarHBondContact O-SG 2.89Å |
| 383 | L | 88.3 | Confident | 82.8 | Confident | 12 Ų | 12 | 46.2 Ų | 46.2 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 176.1 | -76.8 | 171.6 | 0 | 0 | 0 | 111.6 | I379 Y380 I385 C386 H387 L415 L488 V491 V495 | I379-L383 HydrophobicContact CG2-CD1 4.11Å; I379-L383 HydrophobicContact CG2-CG 4.45Å; I379-L383 WeakPolarHBondContact O-CG 3.41Å; I379-L383 PolarHBondContact O-N 2.66Å; Y380-L383 PolarHBondContact O-N 3.34Å; L383-I385 VanDerWaalsContact C-N 3.34Å; L383-I385 PolarHBondContact O-N 3.09Å; L383-C386 WeakPolarHBondContact O-CB 3.44Å; L383-C386 PolarHBondContact O-N 2.96Å; L383-H387 PolarHBondContact O-CD2 2.89Å; L383-H387 VanDerWaalsContact O-CD2 3.22Å; L383-H387 PolarHBondContact O-N 3.39Å; L383-L415 HydrophobicContact CB-CD1 4.01Å; L383-L415 HydrophobicContact CB-CD2 4.25Å; L383-L415 HydrophobicContact CD1-CD2 4.33Å; L383-L488 HydrophobicContact CD2-CD1 3.83Å; L383-V491 HydrophobicContact CD2-CG1 4.06Å; L383-V495 HydrophobicContact CD1-CB 4.25Å; L383-V495 HydrophobicContact CD1-CG1 4.12Å; L383-V495 HydrophobicContact CD1-CG2 4.35Å |
| 384 | A | 82.1 | Confident | 81.8 | Confident | 10 Ų | 10 | 46.2 Ų | 46.2 | 8% | 0.083 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y380 L381 L382 C386 H387 V388 V412 L415 | Y380-A384 WeakPolarHBondContact O-CB 3.39Å; Y380-A384 PolarHBondContact O-N 2.89Å; L381-A384 PolarHBondContact O-N 3.28Å; L382-A384 VanDerWaalsContact C-N 3.32Å; L382-A384 PolarHBondContact O-N 3.43Å; A384-C386 PolarHBondContact O-N 3.41Å; A384-H387 PolarHBondContact O-N 3.5Å; A384-V388 WeakPolarHBondContact O-CG2 3.47Å; A384-V388 PolarHBondContact O-N 2.89Å; A384-V412 HydrophobicContact CB-CG1 4.49Å; A384-L415 HydrophobicContact CB-CB 3.95Å; A384-L415 HydrophobicContact CB-CD1 4.49Å |
| 385 | I | 82.5 | Confident | 80.5 | Confident | 108 Ų | 108 | 45 Ų | 45 | 55% | 0.554 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.3 | -42.5 | 175.5 | -66.9 | 164.2 | 0 | 0 | 0 | 111 | L381 L382 L383 H387 V388 A389 | L381-I385 VanDerWaalsContact O-CG1 3.29Å; L381-I385 WeakPolarHBondContact O-CG1 3.37Å; L381-I385 PolarHBondContact O-N 3.09Å; L382-I385 PolarHBondContact O-N 3.02Å; L383-I385 VanDerWaalsContact C-N 3.34Å; L383-I385 PolarHBondContact O-N 3.09Å; I385-H387 PolarHBondContact O-N 2.84Å; I385-V388 PolarHBondContact O-N 3.48Å; I385-A389 WeakPolarHBondContact O-CB 3.09Å; I385-A389 PolarHBondContact O-N 2.97Å |
| 386 | C | 86.4 | Confident | 79.1 | Confident | 46 Ų | 46 | 46.6 Ų | 46.6 | 31% | 0.311 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 177.1 | -69.9 | 0 | 0 | 0 | 0 | 112 | L382 L383 A384 A389 I390 L488 | L382-C386 PolarHBondContact O-N 3.26Å; L382-C386 PolarHBondContact O-SG 2.89Å; L383-C386 WeakPolarHBondContact O-CB 3.44Å; L383-C386 PolarHBondContact O-N 2.96Å; A384-C386 PolarHBondContact O-N 3.41Å; C386-A389 PolarHBondContact O-N 3.25Å; C386-I390 WeakPolarHBondContact O-CG1 3.36Å; C386-I390 PolarHBondContact O-N 2.82Å; C386-L488 HydrophobicContact CB-CD1 3.83Å; C386-L488 HydrophobicContact CB-CD2 3.98Å |
| 387 | H | 80.4 | Confident | 77.6 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 175.7 | -83.2 | -74.1 | 0 | 0 | 0 | 111.3 | L383 A384 I385 A389 I390 D391 T408 V412 L415 L488 S492 | L383-H387 PolarHBondContact O-CD2 2.89Å; L383-H387 VanDerWaalsContact O-CD2 3.22Å; L383-H387 PolarHBondContact O-N 3.39Å; A384-H387 PolarHBondContact O-N 3.5Å; I385-H387 PolarHBondContact O-N 2.84Å; H387-A389 VanDerWaalsContact C-N 3.3Å; H387-A389 PolarHBondContact O-N 3.45Å; H387-I390 PolarHBondContact O-N 2.81Å; H387-D391 PolarHBondContact O-N 3.11Å; H387-T408 WeakPolarHBondContact ND1-CB 3.39Å; H387-T408 WeakPolarHBondContact ND1-CG2 3.49Å; H387-V412 HydrophobicContact CB-CG2 3.31Å; H387-L415 WeakPolarHBondContact CD2-CD1 3.29Å; H387-L488 HydrophobicContact CB-CD2 4.15Å; H387-L488 VanDerWaalsContact CE1-CD2 3.49Å; H387-L488 WeakPolarHBondContact CE1-CD2 3.16Å; H387-L488 VanDerWaalsContact CG-CD2 3.44Å; H387-L488 WeakPolarHBondContact ND1-CD2 3.36Å; H387-S492 PolarHBondContact NE2-OG 3Å |
| 388 | V | 76.2 | Confident | 75.9 | Confident | 58 Ų | 58 | 53.4 Ų | 53.4 | 35% | 0.352 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 174.9 | 172 | 0 | 0 | 0 | 0 | 111.6 | A384 I385 D391 I392 V412 | A384-V388 WeakPolarHBondContact O-CG2 3.47Å; A384-V388 PolarHBondContact O-N 2.89Å; I385-V388 PolarHBondContact O-N 3.48Å; V388-D391 PolarHBondContact O-N 3.3Å; V388-I392 HydrophobicContact CG1-CD1 3.94Å; V388-I392 HydrophobicContact CG1-CG1 4.47Å; V388-I392 VanDerWaalsContact O-CG1 3.3Å; V388-I392 WeakPolarHBondContact O-CG1 3.29Å; V388-I392 PolarHBondContact O-N 3.15Å; V388-V412 HydrophobicContact CG2-CG1 3.89Å; V388-V412 HydrophobicContact CG2-CG2 4.05Å |
| 389 | A | 77.8 | Confident | 73.9 | Confident | 47 Ų | 47 | 55.6 Ų | 55.6 | 39% | 0.388 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I385 C386 H387 I392 C393 | I385-A389 WeakPolarHBondContact O-CB 3.09Å; I385-A389 PolarHBondContact O-N 2.97Å; C386-A389 PolarHBondContact O-N 3.25Å; H387-A389 VanDerWaalsContact C-N 3.3Å; H387-A389 PolarHBondContact O-N 3.45Å; A389-I392 PolarHBondContact O-N 3.44Å; A389-C393 PolarHBondContact O-N 3.46Å; A389-C393 PolarHBondContact O-SG 2.93Å |
| 390 | I | 77.1 | Confident | 71.9 | Confident | 27 Ų | 27 | 52.9 Ų | 52.9 | 14% | 0.138 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 173.6 | -71.4 | -177.3 | 0 | 0 | 0 | 110.3 | C386 H387 I392 C393 Y394 A484 L488 | C386-I390 WeakPolarHBondContact O-CG1 3.36Å; C386-I390 PolarHBondContact O-N 2.82Å; H387-I390 PolarHBondContact O-N 2.81Å; I390-I392 PolarHBondContact O-N 3.49Å; I390-C393 WeakPolarHBondContact O-CB 3.4Å; I390-C393 PolarHBondContact O-N 3.31Å; I390-C393 VanDerWaalsContact O-N 3.15Å; I390-Y394 HydrophobicContact CG2-CD2 3.7Å; I390-Y394 HydrophobicContact CG2-CE2 3.87Å; I390-Y394 PolarHBondContact O-N 3.02Å; I390-A484 HydrophobicContact CD1-CB 4.48Å; I390-L488 HydrophobicContact CD1-CB 4.26Å; I390-L488 HydrophobicContact CD1-CD2 3.63Å |
| 391 | D | 69.2 | Low | 70 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 177.4 | -79.3 | 8.1 | 0 | 0 | 0 | 111.6 | Y301 H387 V388 C393 Y394 T395 T408 | Y301-D391 VanDerWaalsContact OH-CB 3.31Å; Y301-D391 WeakPolarHBondContact OH-CB 3.46Å; Y301-D391 PolarHBondContact OH-OD2 3.33Å; H387-D391 PolarHBondContact O-N 3.11Å; V388-D391 PolarHBondContact O-N 3.3Å; D391-C393 VanDerWaalsContact C-N 3.32Å; D391-C393 PolarHBondContact O-N 3.27Å; D391-Y394 CarbonylContact O-C 3.56Å; D391-Y394 WeakPolarHBondContact O-CB 3.49Å; D391-Y394 PolarHBondContact O-N 3.13Å; D391-T395 PolarHBondContact O-N 3.36Å; D391-T395 PolarHBondContact O-OG1 3.41Å; D391-T408 PolarHBondContact OD1-OG1 3.12Å |
| 392 | I | 70.4 | Confident | 68.5 | Low | 108 Ų | 108 | 59.4 Ų | 59.4 | 55% | 0.554 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -59.3 | -44.4 | 175.6 | -69.1 | 166.6 | 0 | 0 | 0 | 110.6 | V388 A389 I390 Y394 T395 A396 | V388-I392 HydrophobicContact CG1-CD1 3.94Å; V388-I392 HydrophobicContact CG1-CG1 4.47Å; V388-I392 VanDerWaalsContact O-CG1 3.3Å; V388-I392 WeakPolarHBondContact O-CG1 3.29Å; V388-I392 PolarHBondContact O-N 3.15Å; A389-I392 PolarHBondContact O-N 3.44Å; I390-I392 PolarHBondContact O-N 3.49Å; I392-Y394 VanDerWaalsContact C-N 3.34Å; I392-Y394 PolarHBondContact O-N 3.09Å; I392-T395 PolarHBondContact O-N 2.87Å; I392-T395 VanDerWaalsContact O-N 3.14Å; I392-A396 PolarHBondContact O-N 3.29Å |
| 393 | C | 69.9 | Low | 66.5 | Low | 55 Ų | 55 | 56 Ų | 56 | 37% | 0.372 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 176.4 | -66.2 | 0 | 0 | 0 | 0 | 111.7 | A389 I390 D391 T395 A396 M397 M481 | A389-C393 PolarHBondContact O-N 3.46Å; A389-C393 PolarHBondContact O-SG 2.93Å; I390-C393 WeakPolarHBondContact O-CB 3.4Å; I390-C393 PolarHBondContact O-N 3.31Å; I390-C393 VanDerWaalsContact O-N 3.15Å; D391-C393 VanDerWaalsContact C-N 3.32Å; D391-C393 PolarHBondContact O-N 3.27Å; C393-T395 VanDerWaalsContact C-N 3.28Å; C393-T395 PolarHBondContact O-N 3.1Å; C393-A396 PolarHBondContact O-N 2.89Å; C393-M397 WeakPolarHBondContact O-CG 3.49Å; C393-M397 PolarHBondContact O-N 3.26Å; C393-M481 HydrophobicContact CB-CE 4.02Å |
| 394 | Y | 64.1 | Low | 64.8 | Low | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.8 | -32.7 | 173.8 | -100.9 | -76.3 | 0 | 0 | 0 | 113.4 | I390 D391 I392 A396 M397 I400 R402 V405 M481 H482 E485 | I390-Y394 HydrophobicContact CG2-CD2 3.7Å; I390-Y394 HydrophobicContact CG2-CE2 3.87Å; I390-Y394 PolarHBondContact O-N 3.02Å; D391-Y394 CarbonylContact O-C 3.56Å; D391-Y394 WeakPolarHBondContact O-CB 3.49Å; D391-Y394 PolarHBondContact O-N 3.13Å; I392-Y394 VanDerWaalsContact C-N 3.34Å; I392-Y394 PolarHBondContact O-N 3.09Å; Y394-A396 VanDerWaalsContact C-N 3.33Å; Y394-M397 PolarHBondContact O-N 3.08Å; Y394-I400 HydrophobicContact CD1-CB 4.1Å; Y394-I400 HydrophobicContact CD1-CD1 3.82Å; Y394-I400 HydrophobicContact CD1-CG1 4.47Å; Y394-I400 HydrophobicContact CD1-CG2 4.41Å; Y394-I400 HydrophobicContact CE1-CB 3.73Å; Y394-I400 HydrophobicContact CE1-CD1 3.59Å; Y394-I400 HydrophobicContact CE1-CG1 4.24Å; Y394-I400 HydrophobicContact CE1-CG2 3.55Å; Y394-R402 PolarHBondContact O-NH2 2.53Å; Y394-V405 HydrophobicContact CD1-CG2 3.85Å; Y394-V405 HydrophobicContact CD2-CG2 3.77Å; Y394-V405 HydrophobicContact CE1-CG2 3.91Å; Y394-V405 HydrophobicContact CE2-CG2 3.84Å; Y394-V405 HydrophobicContact CG-CG2 3.75Å; Y394-M481 HydrophobicContact CE2-CB 4.09Å; Y394-H482 PolarHBondContact OH-CE1 3.48Å; Y394-H482 VanDerWaalsContact OH-CE1 3.29Å; Y394-H482 PolarHBondContact OH-ND1 2.87Å; Y394-E485 VanDerWaalsContact CE2-OE2 3.29Å; Y394-E485 WeakPolarHBondContact CE2-OE2 3.33Å; Y394-E485 PolarHBondContact OH-OE2 2.85Å |
| 395 | T | 57.8 | Low | 63.2 | Low | 53 Ų | 53 | 55.2 Ų | 55.2 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -71.9 | -35.5 | 178.9 | -41.7 | 0 | 0 | 0 | 0 | 110.2 | L305 D391 I392 C393 M397 | L305-T395 HydrophobicContact CD2-CG2 4.22Å; D391-T395 PolarHBondContact O-N 3.36Å; D391-T395 PolarHBondContact O-OG1 3.41Å; I392-T395 PolarHBondContact O-N 2.87Å; I392-T395 VanDerWaalsContact O-N 3.14Å; C393-T395 VanDerWaalsContact C-N 3.28Å; C393-T395 PolarHBondContact O-N 3.1Å; T395-M397 VanDerWaalsContact C-N 3.28Å; T395-M397 PolarHBondContact O-N 3.42Å |
| 396 | A | 62.1 | Low | 61.7 | Low | 81 Ų | 81 | 50.2 Ų | 50.2 | 67% | 0.669 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -72.5 | -16.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I392 C393 Y394 | I392-A396 PolarHBondContact O-N 3.29Å; C393-A396 PolarHBondContact O-N 2.89Å; Y394-A396 VanDerWaalsContact C-N 3.33Å |
| 397 | M | 58 | Low | 60.2 | Low | 50 Ų | 50 | 48.2 Ų | 48.2 | 25% | 0.246 | 27% | 0.267 | C | S | . | . | trans | -103.4 | 120 | -178.6 | -66.8 | -167.7 | -176.5 | 0 | 0 | 112.1 | C393 Y394 T395 H399 I400 M481 | C393-M397 WeakPolarHBondContact O-CG 3.49Å; C393-M397 PolarHBondContact O-N 3.26Å; Y394-M397 PolarHBondContact O-N 3.08Å; T395-M397 VanDerWaalsContact C-N 3.28Å; T395-M397 PolarHBondContact O-N 3.42Å; M397-H399 VanDerWaalsContact C-N 3.3Å; M397-H399 PolarHBondContact O-N 3.41Å; M397-I400 HydrophobicContact CB-CD1 4.38Å; M397-I400 HydrophobicContact SD-CD1 4.48Å; M397-M481 HydrophobicContact CE-CE 3.76Å; M397-M481 HydrophobicContact SD-CE 4.32Å; M397-M481 HydrophobicContact SD-CG 4.45Å | ||
| 398 | V | 50.7 | Low | 59.2 | Low | 118 Ų | 118 | 48.3 Ų | 48.3 | 72% | 0.715 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -6.2 | -167.7 | 179.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 399 | H | 47.1 | Very low | 58.3 | Low | 121 Ų | 121 | 45.6 Ų | 45.6 | 56% | 0.56 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.3 | 31.4 | -159.7 | -87.1 | -11.3 | 0 | 0 | 0 | 118.4 | R311 M397 | R311-H399 PolarHBondContact NH2-CE1 2.9Å; R311-H399 PolarHBondContact NH2-NE2 3.38Å; M397-H399 VanDerWaalsContact C-N 3.3Å; M397-H399 PolarHBondContact O-N 3.41Å |
| 400 | I | 49.7 | Very low | 57.7 | Low | 17 Ų | 17 | 43.9 Ų | 43.9 | 9% | 0.087 | 24% | 0.235 | C | C | . | . | trans | -119.9 | 134.3 | -178.6 | -44.5 | 174.5 | 0 | 0 | 0 | 112.9 | Y394 M397 R402 P478 M481 H482 | Y394-I400 HydrophobicContact CD1-CB 4.1Å; Y394-I400 HydrophobicContact CD1-CD1 3.82Å; Y394-I400 HydrophobicContact CD1-CG1 4.47Å; Y394-I400 HydrophobicContact CD1-CG2 4.41Å; Y394-I400 HydrophobicContact CE1-CB 3.73Å; Y394-I400 HydrophobicContact CE1-CD1 3.59Å; Y394-I400 HydrophobicContact CE1-CG1 4.24Å; Y394-I400 HydrophobicContact CE1-CG2 3.55Å; M397-I400 HydrophobicContact CB-CD1 4.38Å; M397-I400 HydrophobicContact SD-CD1 4.48Å; I400-R402 PolarHBondContact O-N 3.21Å; I400-P478 HydrophobicContact CD1-CB 4.04Å; I400-P478 HydrophobicContact CD1-CG 4.34Å; I400-P478 HydrophobicContact CG1-CB 3.84Å; I400-P478 HydrophobicContact CG1-CG 3.99Å; I400-P478 HydrophobicContact CG2-CB 4.17Å; I400-M481 HydrophobicContact CD1-CB 4.35Å; I400-H482 WeakPolarHBondContact CG2-NE2 3.46Å | ||
| 401 | Y | 47.8 | Very low | 57.4 | Low | 204 Ų | 204 | 42.6 Ų | 42.6 | 80% | 0.8 | 23% | 0.228 | S | C | * | . | trans | -59.9 | 116 | 168.7 | -104.1 | -95.3 | 0 | 0 | 0 | 109.4 | T403 H482 | Y401-T403 PolarHBondContact O-N 2.67Å; Y401-H482 PolarHBondContact O-CE1 2.87Å | ||
| 402 | R | 50.6 | Low | 57.6 | Low | 24 Ų | 24 | 43.9 Ų | 43.9 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 13.6 | -164.8 | -80 | -157.2 | 177.7 | 141.3 | 2.8 | 116.8 | L305 S309 Y394 I400 L404 V405 | L305-R402 PolarHBondContact O-NH1 3.06Å; S309-R402 VanDerWaalsContact CB-CG 3.45Å; S309-R402 VanDerWaalsContact N-NH1 3.15Å; S309-R402 WeakPolarHBondContact OG-CD 3.25Å; Y394-R402 PolarHBondContact O-NH2 2.53Å; I400-R402 PolarHBondContact O-N 3.21Å; R402-L404 VanDerWaalsContact C-N 3.27Å; R402-L404 PolarHBondContact O-N 3.43Å; R402-V405 PolarHBondContact O-N 3.46Å |
| 403 | T | 48.9 | Very low | 57.7 | Low | 37 Ų | 37 | 41.1 Ų | 41.1 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -32.9 | -175.8 | 24.8 | 0 | 0 | 0 | 0 | 114.1 | Y401 F407 N559 | Y401-T403 PolarHBondContact O-N 2.67Å; T403-F407 WeakPolarHBondContact O-CD2 3.44Å; T403-F407 VanDerWaalsContact O-CE2 3.29Å; T403-F407 WeakPolarHBondContact O-CE2 3.4Å; T403-N559 WeakPolarHBondContact CG2-OD1 3.14Å |
| 404 | L | 51.2 | Low | 58.1 | Low | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -37.4 | 179.4 | -107 | 145.5 | 0 | 0 | 0 | 112.7 | R402 A406 F407 V454 Y455 E485 | R402-L404 VanDerWaalsContact C-N 3.27Å; R402-L404 PolarHBondContact O-N 3.43Å; L404-A406 PolarHBondContact O-N 2.96Å; L404-A406 VanDerWaalsContact O-N 3.17Å; L404-F407 PolarHBondContact O-N 3.39Å; L404-V454 HydrophobicContact CG-CG1 4.35Å; L404-Y455 HydrophobicContact CD1-CD2 4.09Å; L404-E485 WeakPolarHBondContact CB-OE1 3.27Å; L404-E485 WeakPolarHBondContact CB-OE2 3.42Å; L404-E485 HydrophobicContact CD2-CG 4.13Å; L404-E485 VanDerWaalsContact O-OE1 3.08Å |
| 405 | V | 50 | Low | 59.1 | Low | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.9 | -24.2 | -179 | -179.4 | 0 | 0 | 0 | 0 | 112.8 | L305 Y394 R402 F407 T408 E485 | L305-V405 HydrophobicContact CD1-CG1 3.92Å; Y394-V405 HydrophobicContact CD1-CG2 3.85Å; Y394-V405 HydrophobicContact CD2-CG2 3.77Å; Y394-V405 HydrophobicContact CE1-CG2 3.91Å; Y394-V405 HydrophobicContact CE2-CG2 3.84Å; Y394-V405 HydrophobicContact CG-CG2 3.75Å; R402-V405 PolarHBondContact O-N 3.46Å; V405-F407 PolarHBondContact O-N 2.95Å; V405-T408 WeakPolarHBondContact CA-OG1 3.49Å; V405-T408 PolarHBondContact O-N 3.27Å; V405-T408 PolarHBondContact O-OG1 3.35Å; V405-E485 WeakPolarHBondContact CA-OE1 3.24Å; V405-E485 PolarHBondContact N-OE1 3.11Å; V405-E485 VanDerWaalsContact N-OE1 3.08Å |
| 406 | A | 49.4 | Very low | 60 | Low | 3 Ų | 3 | 38.6 Ų | 38.6 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.1 | -34.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | W298 Y302 L404 I410 | W298-A406 VanDerWaalsContact CZ2-O 3.29Å; W298-A406 WeakPolarHBondContact CZ2-O 3.25Å; Y302-A406 HydrophobicContact CD2-CB 3.96Å; Y302-A406 HydrophobicContact CE2-CB 3.41Å; Y302-A406 VanDerWaalsContact CE2-CB 3.41Å; L404-A406 PolarHBondContact O-N 2.96Å; L404-A406 VanDerWaalsContact O-N 3.17Å; A406-I410 WeakPolarHBondContact O-CG1 3.38Å |
| 407 | F | 55.6 | Low | 60.8 | Low | 5 Ų | 5 | 36.3 Ų | 36.3 | 2% | 0.022 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -87.8 | -27.2 | -175.5 | -58.6 | -68.9 | 0 | 0 | 0 | 112.5 | T403 L404 V405 S411 V447 H450 A451 V454 Y563 M566 | T403-F407 WeakPolarHBondContact O-CD2 3.44Å; T403-F407 VanDerWaalsContact O-CE2 3.29Å; T403-F407 WeakPolarHBondContact O-CE2 3.4Å; L404-F407 PolarHBondContact O-N 3.39Å; V405-F407 PolarHBondContact O-N 2.95Å; F407-S411 WeakPolarHBondContact O-CB 3.45Å; F407-S411 PolarHBondContact O-N 3.44Å; F407-S411 VanDerWaalsContact O-N 3.1Å; F407-S411 PolarHBondContact O-OG 2.71Å; F407-V447 HydrophobicContact CB-CG1 4.06Å; F407-V447 HydrophobicContact CD1-CG1 4.34Å; F407-V447 WeakPolarHBondContact O-CG1 3.23Å; F407-H450 AromaticContact CD1-ND1 3.49Å; F407-H450 WeakPolarHBondContact CD1-ND1 3.41Å; F407-H450 AromaticContact CE1-CE1 3.42Å; F407-H450 VanDerWaalsContact CE1-CE1 3.42Å; F407-H450 WeakPolarHBondContact CE1-CE1 3.46Å; F407-H450 AromaticContact CE1-ND1 3.07Å; F407-H450 WeakPolarHBondContact CE1-ND1 3.45Å; F407-H450 AromaticContact CE2-CE1 3.75Å; F407-H450 AromaticContact CE2-ND1 3.86Å; F407-H450 AromaticContact CZ-CE1 3.16Å; F407-H450 WeakPolarHBondContact CZ-CE1 2.94Å; F407-H450 AromaticContact CZ-ND1 3.3Å; F407-H450 VanDerWaalsContact CZ-ND1 3.3Å; F407-H450 WeakPolarHBondContact CZ-ND1 3.4Å; F407-A451 HydrophobicContact CB-CB 3.96Å; F407-V454 HydrophobicContact CE2-CG2 4.06Å; F407-Y563 HydrophobicContact CE1-CE1 4.43Å; F407-Y563 HydrophobicContact CZ-CE1 4.4Å; F407-M566 HydrophobicContact CD1-SD 4.21Å; F407-M566 HydrophobicContact CE1-SD 3.95Å |
| 408 | T | 59.2 | Low | 62.1 | Low | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.6 | -46.5 | 175.9 | 49.6 | 0 | 0 | 0 | 0 | 111.2 | H387 D391 V405 S411 V412 E485 | H387-T408 WeakPolarHBondContact ND1-CB 3.39Å; H387-T408 WeakPolarHBondContact ND1-CG2 3.49Å; D391-T408 PolarHBondContact OD1-OG1 3.12Å; V405-T408 WeakPolarHBondContact CA-OG1 3.49Å; V405-T408 PolarHBondContact O-N 3.27Å; V405-T408 PolarHBondContact O-OG1 3.35Å; T408-S411 CarbonylContact O-C 3.42Å; T408-S411 WeakPolarHBondContact O-CA 3.49Å; T408-S411 WeakPolarHBondContact O-CB 3.34Å; T408-S411 PolarHBondContact O-N 2.86Å; T408-S411 VanDerWaalsContact O-N 3.14Å; T408-V412 PolarHBondContact O-N 3.48Å; T408-E485 HydrophobicContact CG2-CG 3.47Å; T408-E485 VanDerWaalsContact CG2-CG 3.47Å; T408-E485 WeakPolarHBondContact CG2-OE1 3.49Å |
| 409 | G | 58.6 | Low | 63.6 | Low | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -82.5 | -22.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | W298 S411 V412 L413 | W298-G409 VanDerWaalsContact CZ3-O 3.29Å; W298-G409 WeakPolarHBondContact CZ3-O 3.3Å; G409-S411 PolarHBondContact O-N 3.36Å; G409-V412 WeakPolarHBondContact O-CB 3.42Å; G409-V412 PolarHBondContact O-N 2.88Å; G409-V412 VanDerWaalsContact O-N 3.17Å; G409-L413 PolarHBondContact O-N 3.34Å; G409-L413 VanDerWaalsContact O-N 3.08Å |
| 410 | I | 64 | Low | 65 | Low | 11 Ų | 11 | 27.9 Ų | 27.9 | 6% | 0.056 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.7 | -40.6 | 162.3 | -64.4 | 173.2 | 0 | 0 | 0 | 108.7 | W298 A406 L413 Y414 V447 | W298-I410 HydrophobicContact CD2-CG1 4.35Å; W298-I410 VanDerWaalsContact CE2-CG1 3.46Å; W298-I410 VanDerWaalsContact CH2-N 3.34Å; W298-I410 HydrophobicContact CZ2-CG1 3.71Å; W298-I410 VanDerWaalsContact CZ2-N 3.29Å; A406-I410 WeakPolarHBondContact O-CG1 3.38Å; I410-L413 PolarHBondContact O-N 2.97Å; I410-Y414 HydrophobicContact CG2-CD2 3.97Å; I410-Y414 HydrophobicContact CG2-CE1 4.43Å; I410-Y414 HydrophobicContact CG2-CE2 3.33Å; I410-Y414 PolarHBondContact O-N 2.87Å; I410-V447 HydrophobicContact CB-CG1 4.27Å; I410-V447 HydrophobicContact CG2-CG1 4.26Å; I410-V447 HydrophobicContact CG2-CG2 3.81Å |
| 411 | S | 70.9 | Confident | 66.5 | Low | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.8 | -45 | 174 | -52.4 | 0 | 0 | 0 | 0 | 110.8 | F407 T408 G409 L413 Y414 L415 V447 | F407-S411 WeakPolarHBondContact O-CB 3.45Å; F407-S411 PolarHBondContact O-N 3.44Å; F407-S411 VanDerWaalsContact O-N 3.1Å; F407-S411 PolarHBondContact O-OG 2.71Å; T408-S411 CarbonylContact O-C 3.42Å; T408-S411 WeakPolarHBondContact O-CA 3.49Å; T408-S411 WeakPolarHBondContact O-CB 3.34Å; T408-S411 PolarHBondContact O-N 2.86Å; T408-S411 VanDerWaalsContact O-N 3.14Å; G409-S411 PolarHBondContact O-N 3.36Å; S411-L413 VanDerWaalsContact C-N 3.31Å; S411-L413 PolarHBondContact O-N 3.03Å; S411-Y414 PolarHBondContact O-N 3.47Å; S411-Y414 VanDerWaalsContact O-N 3.15Å; S411-L415 VanDerWaalsContact O-CB 3.32Å; S411-L415 WeakPolarHBondContact O-CB 3.44Å; S411-L415 WeakPolarHBondContact O-CD1 3.43Å; S411-L415 WeakPolarHBondContact O-CG 3.4Å; S411-L415 PolarHBondContact O-N 3.28Å; S411-V447 WeakPolarHBondContact OG-CG1 3.26Å |
| 412 | V | 73 | Confident | 68.2 | Low | 29 Ų | 29 | 17.8 Ų | 17.8 | 18% | 0.176 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -52.6 | -47.1 | 175.7 | 175.4 | 0 | 0 | 0 | 0 | 111.9 | A384 H387 V388 T408 G409 Y414 L415 A416 | A384-V412 HydrophobicContact CB-CG1 4.49Å; H387-V412 HydrophobicContact CB-CG2 3.31Å; V388-V412 HydrophobicContact CG2-CG1 3.89Å; V388-V412 HydrophobicContact CG2-CG2 4.05Å; T408-V412 PolarHBondContact O-N 3.48Å; G409-V412 WeakPolarHBondContact O-CB 3.42Å; G409-V412 PolarHBondContact O-N 2.88Å; G409-V412 VanDerWaalsContact O-N 3.17Å; V412-Y414 PolarHBondContact O-N 3.38Å; V412-L415 PolarHBondContact O-N 3.44Å; V412-A416 VanDerWaalsContact O-CB 3.31Å; V412-A416 WeakPolarHBondContact O-CB 3.33Å; V412-A416 PolarHBondContact O-N 3.31Å |
| 413 | L | 72.4 | Confident | 69.6 | Low | 49 Ų | 49 | 19.7 Ų | 19.7 | 26% | 0.257 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -58.6 | -50.6 | 179.1 | 179.1 | 66.7 | 0 | 0 | 0 | 110.9 | G409 I410 S411 A416 M417 | G409-L413 PolarHBondContact O-N 3.34Å; G409-L413 VanDerWaalsContact O-N 3.08Å; I410-L413 PolarHBondContact O-N 2.97Å; S411-L413 VanDerWaalsContact C-N 3.31Å; S411-L413 PolarHBondContact O-N 3.03Å; L413-A416 PolarHBondContact O-N 3.29Å; L413-M417 HydrophobicContact CD1-CG 4.4Å; L413-M417 WeakPolarHBondContact O-CB 3.43Å; L413-M417 VanDerWaalsContact O-CG 3.25Å; L413-M417 WeakPolarHBondContact O-CG 3.28Å; L413-M417 PolarHBondContact O-N 3.29Å |
| 414 | Y | 79 | Confident | 70.8 | Confident | 18 Ų | 18 | 23.5 Ų | 23.5 | 7% | 0.071 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.1 | -42.1 | -179.4 | -58.9 | -27.4 | 0 | 0 | 0 | 112 | I410 S411 V412 A416 M417 I418 F440 M443 T444 V447 F602 | I410-Y414 HydrophobicContact CG2-CD2 3.97Å; I410-Y414 HydrophobicContact CG2-CE1 4.43Å; I410-Y414 HydrophobicContact CG2-CE2 3.33Å; I410-Y414 PolarHBondContact O-N 2.87Å; S411-Y414 PolarHBondContact O-N 3.47Å; S411-Y414 VanDerWaalsContact O-N 3.15Å; V412-Y414 PolarHBondContact O-N 3.38Å; Y414-A416 VanDerWaalsContact C-N 3.32Å; Y414-A416 PolarHBondContact O-N 3.48Å; Y414-M417 PolarHBondContact O-N 3.21Å; Y414-I418 WeakPolarHBondContact O-CD1 3.34Å; Y414-I418 WeakPolarHBondContact O-CG1 3.33Å; Y414-I418 PolarHBondContact O-N 3.06Å; Y414-F440 HydrophobicContact CD1-CD1 4.08Å; Y414-M443 HydrophobicContact CD2-CB 3.8Å; Y414-M443 HydrophobicContact CE2-CB 3.75Å; Y414-M443 HydrophobicContact CG-CB 4.27Å; Y414-T444 WeakPolarHBondContact CB-OG1 3.48Å; Y414-V447 HydrophobicContact CD2-CG2 4.27Å; Y414-V447 HydrophobicContact CE2-CG2 3.73Å; Y414-F602 HydrophobicContact CE1-CZ 4.09Å; Y414-F602 AromaticContact CZ-CZ 3.98Å; Y414-F602 VanDerWaalsContact OH-CZ 3.29Å; Y414-F602 WeakPolarHBondContact OH-CZ 3.31Å |
| 415 | L | 84.4 | Confident | 72.1 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.1 | -43.9 | 176.4 | -64.8 | 168.1 | 0 | 0 | 0 | 111.2 | Y380 L383 A384 H387 S411 V412 I418 G419 T444 | Y380-L415 HydrophobicContact CD1-CB 4.25Å; Y380-L415 HydrophobicContact CD1-CD2 3.26Å; Y380-L415 HydrophobicContact CD1-CG 4.31Å; Y380-L415 HydrophobicContact CE1-CD2 3.44Å; Y380-L415 VanDerWaalsContact CE1-CD2 3.44Å; L383-L415 HydrophobicContact CB-CD1 4.01Å; L383-L415 HydrophobicContact CB-CD2 4.25Å; L383-L415 HydrophobicContact CD1-CD2 4.33Å; A384-L415 HydrophobicContact CB-CB 3.95Å; A384-L415 HydrophobicContact CB-CD1 4.49Å; H387-L415 WeakPolarHBondContact CD2-CD1 3.29Å; S411-L415 VanDerWaalsContact O-CB 3.32Å; S411-L415 WeakPolarHBondContact O-CB 3.44Å; S411-L415 WeakPolarHBondContact O-CD1 3.43Å; S411-L415 WeakPolarHBondContact O-CG 3.4Å; S411-L415 PolarHBondContact O-N 3.28Å; V412-L415 PolarHBondContact O-N 3.44Å; L415-I418 PolarHBondContact O-N 3.39Å; L415-G419 PolarHBondContact O-N 2.86Å; L415-G419 VanDerWaalsContact O-N 3.13Å; L415-T444 HydrophobicContact CD2-CG2 3.66Å; L415-T444 HydrophobicContact CG-CG2 4.21Å |
| 416 | A | 77 | Confident | 73.4 | Confident | 37 Ų | 37 | 24.8 Ų | 24.8 | 31% | 0.306 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -65.8 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V412 L413 Y414 I418 G419 I420 | V412-A416 VanDerWaalsContact O-CB 3.31Å; V412-A416 WeakPolarHBondContact O-CB 3.33Å; V412-A416 PolarHBondContact O-N 3.31Å; L413-A416 PolarHBondContact O-N 3.29Å; Y414-A416 VanDerWaalsContact C-N 3.32Å; Y414-A416 PolarHBondContact O-N 3.48Å; A416-I418 VanDerWaalsContact C-N 3.31Å; A416-I418 PolarHBondContact O-N 2.78Å; A416-G419 PolarHBondContact O-N 3.25Å; A416-G419 VanDerWaalsContact O-N 3.11Å; A416-I420 WeakPolarHBondContact O-CG1 3.14Å; A416-I420 PolarHBondContact O-N 2.87Å |
| 417 | M | 79.5 | Confident | 74.5 | Confident | 34 Ų | 34 | 34.9 Ų | 34.9 | 17% | 0.167 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.4 | -32.4 | 178.4 | -70.7 | -59.9 | -70.2 | 0 | 0 | 112.7 | F290 L413 Y414 I420 S421 F440 | F290-M417 HydrophobicContact CE1-CE 3.96Å; F290-M417 HydrophobicContact CZ-CE 3.96Å; F290-M417 HydrophobicContact CZ-SD 4.39Å; L413-M417 HydrophobicContact CD1-CG 4.4Å; L413-M417 WeakPolarHBondContact O-CB 3.43Å; L413-M417 VanDerWaalsContact O-CG 3.25Å; L413-M417 WeakPolarHBondContact O-CG 3.28Å; L413-M417 PolarHBondContact O-N 3.29Å; Y414-M417 PolarHBondContact O-N 3.21Å; M417-I420 HydrophobicContact SD-CD1 4.22Å; M417-S421 VanDerWaalsContact O-CB 3.24Å; M417-S421 WeakPolarHBondContact O-CB 3.37Å; M417-S421 PolarHBondContact O-N 3.4Å; M417-S421 PolarHBondContact O-OG 2.69Å; M417-F440 HydrophobicContact CB-CD1 4.08Å; M417-F440 HydrophobicContact CB-CD2 3.71Å; M417-F440 HydrophobicContact CB-CE1 4.08Å; M417-F440 HydrophobicContact CB-CE2 3.72Å; M417-F440 HydrophobicContact CB-CG 3.91Å; M417-F440 HydrophobicContact CB-CZ 3.91Å; M417-F440 HydrophobicContact CE-CE2 3.91Å; M417-F440 HydrophobicContact CE-CZ 3.74Å; M417-F440 HydrophobicContact CG-CE1 4.39Å; M417-F440 HydrophobicContact CG-CE2 4.47Å; M417-F440 HydrophobicContact CG-CZ 4.24Å |
| 418 | I | 85.6 | Confident | 75 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.8 | -49.2 | 169.9 | -66.3 | 161.7 | 0 | 0 | 0 | 109.7 | Y380 Y414 L415 A416 I420 S421 L422 F440 V441 T444 | Y380-I418 HydrophobicContact CD1-CB 4.16Å; Y380-I418 HydrophobicContact CD1-CD1 3.69Å; Y380-I418 HydrophobicContact CD1-CG2 4.03Å; Y380-I418 HydrophobicContact CD2-CG2 3.62Å; Y380-I418 HydrophobicContact CE1-CD1 3.35Å; Y380-I418 HydrophobicContact CE1-CG2 4.27Å; Y380-I418 HydrophobicContact CE2-CG2 3.86Å; Y380-I418 HydrophobicContact CG-CB 4.21Å; Y380-I418 HydrophobicContact CG-CD1 4.48Å; Y380-I418 HydrophobicContact CG-CG2 3.72Å; Y414-I418 WeakPolarHBondContact O-CD1 3.34Å; Y414-I418 WeakPolarHBondContact O-CG1 3.33Å; Y414-I418 PolarHBondContact O-N 3.06Å; L415-I418 PolarHBondContact O-N 3.39Å; A416-I418 VanDerWaalsContact C-N 3.31Å; A416-I418 PolarHBondContact O-N 2.78Å; I418-I420 PolarHBondContact O-N 3.33Å; I418-S421 PolarHBondContact O-N 3.45Å; I418-L422 HydrophobicContact CG2-CD1 3.71Å; I418-L422 HydrophobicContact CG2-CG 4.28Å; I418-L422 WeakPolarHBondContact O-CB 3.14Å; I418-L422 WeakPolarHBondContact O-CG 3.48Å; I418-L422 PolarHBondContact O-N 2.87Å; I418-F440 HydrophobicContact CD1-CB 4.18Å; I418-F440 HydrophobicContact CG1-CB 3.44Å; I418-F440 VanDerWaalsContact CG1-CB 3.44Å; I418-V441 HydrophobicContact CD1-CB 4.28Å; I418-V441 HydrophobicContact CD1-CG2 3.64Å; I418-V441 HydrophobicContact CG1-CG2 3.88Å; I418-V441 HydrophobicContact CG2-CG2 3.98Å; I418-T444 WeakPolarHBondContact CD1-OG1 3.13Å |
| 419 | G | 81.2 | Confident | 75.5 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.7 | -47 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T377 L415 A416 S423 | T377-G419 WeakPolarHBondContact CG2-O 3.25Å; L415-G419 PolarHBondContact O-N 2.86Å; L415-G419 VanDerWaalsContact O-N 3.13Å; A416-G419 PolarHBondContact O-N 3.25Å; A416-G419 VanDerWaalsContact O-N 3.11Å; G419-S423 VanDerWaalsContact O-CB 3.22Å; G419-S423 WeakPolarHBondContact O-CB 3.4Å; G419-S423 PolarHBondContact O-N 3.45Å |
| 420 | I | 76.8 | Confident | 75.9 | Confident | 106 Ų | 106 | 42.7 Ų | 42.7 | 54% | 0.544 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.9 | -48.1 | 177.3 | -66.5 | 166.8 | 0 | 0 | 0 | 110.6 | A416 M417 I418 S423 Y424 | A416-I420 WeakPolarHBondContact O-CG1 3.14Å; A416-I420 PolarHBondContact O-N 2.87Å; M417-I420 HydrophobicContact SD-CD1 4.22Å; I418-I420 PolarHBondContact O-N 3.33Å; I420-S423 PolarHBondContact O-N 2.94Å; I420-Y424 WeakPolarHBondContact O-CB 3.4Å; I420-Y424 PolarHBondContact O-N 3.45Å |
| 421 | S | 82.1 | Confident | 76.2 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 7% | 0.07 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64 | -44.8 | -177.5 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | M417 I418 Y424 Y425 A433 | M417-S421 VanDerWaalsContact O-CB 3.24Å; M417-S421 WeakPolarHBondContact O-CB 3.37Å; M417-S421 PolarHBondContact O-N 3.4Å; M417-S421 PolarHBondContact O-OG 2.69Å; I418-S421 PolarHBondContact O-N 3.45Å; S421-Y424 PolarHBondContact O-N 2.69Å; S421-Y425 PolarHBondContact O-N 2.91Å; S421-A433 WeakPolarHBondContact CB-O 3.33Å; S421-A433 VanDerWaalsContact O-CB 3.3Å; S421-A433 WeakPolarHBondContact O-CB 3.46Å |
| 422 | L | 83 | Confident | 76 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.4 | -40.4 | 177.2 | -72.8 | 176 | 0 | 0 | 0 | 112.3 | L373 I376 T377 I418 Y424 Y425 V426 L434 L503 | L373-L422 HydrophobicContact CD2-CD2 4.19Å; I376-L422 HydrophobicContact CG2-CD1 3.68Å; T377-L422 WeakPolarHBondContact OG1-CB 3.44Å; I418-L422 HydrophobicContact CG2-CD1 3.71Å; I418-L422 HydrophobicContact CG2-CG 4.28Å; I418-L422 WeakPolarHBondContact O-CB 3.14Å; I418-L422 WeakPolarHBondContact O-CG 3.48Å; I418-L422 PolarHBondContact O-N 2.87Å; L422-Y424 VanDerWaalsContact C-N 3.32Å; L422-Y424 PolarHBondContact O-N 2.85Å; L422-Y425 WeakPolarHBondContact O-CB 3.34Å; L422-Y425 PolarHBondContact O-N 2.87Å; L422-V426 VanDerWaalsContact O-CG2 3.29Å; L422-V426 WeakPolarHBondContact O-CG2 3.49Å; L422-V426 PolarHBondContact O-N 3.41Å; L422-L434 HydrophobicContact CD2-CD1 4.46Å; L422-L503 HydrophobicContact CD2-CD2 3.88Å |
| 423 | S | 79.1 | Confident | 76 | Confident | 64 Ų | 64 | 43.8 Ų | 43.8 | 45% | 0.448 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.4 | -45.5 | 174.2 | 179 | 0 | 0 | 0 | 0 | 111.4 | G419 I420 Y425 V426 R427 | G419-S423 VanDerWaalsContact O-CB 3.22Å; G419-S423 WeakPolarHBondContact O-CB 3.4Å; G419-S423 PolarHBondContact O-N 3.45Å; I420-S423 PolarHBondContact O-N 2.94Å; S423-Y425 PolarHBondContact O-N 2.81Å; S423-V426 PolarHBondContact O-N 3.16Å; S423-R427 WeakPolarHBondContact O-CB 3.44Å; S423-R427 PolarHBondContact O-N 2.94Å |
| 424 | Y | 75.9 | Confident | 76.3 | Confident | 116 Ų | 116 | 41.4 Ų | 41.4 | 46% | 0.455 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.2 | -40.9 | 176.3 | -164.7 | -95.7 | 0 | 0 | 0 | 112 | I420 S421 L422 S428 V430 A433 | I420-Y424 WeakPolarHBondContact O-CB 3.4Å; I420-Y424 PolarHBondContact O-N 3.45Å; S421-Y424 PolarHBondContact O-N 2.69Å; L422-Y424 VanDerWaalsContact C-N 3.32Å; L422-Y424 PolarHBondContact O-N 2.85Å; Y424-S428 WeakPolarHBondContact O-CB 3.46Å; Y424-S428 PolarHBondContact O-N 3.46Å; Y424-V430 HydrophobicContact CD1-CB 4.1Å; Y424-V430 HydrophobicContact CD1-CG2 4.23Å; Y424-V430 HydrophobicContact CE1-CB 3.82Å; Y424-V430 HydrophobicContact CE1-CG1 4.33Å; Y424-V430 HydrophobicContact CE1-CG2 3.6Å; Y424-A433 HydrophobicContact CD1-CB 3.93Å |
| 425 | Y | 78.5 | Confident | 76.1 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 173.2 | 177.8 | -99.7 | 0 | 0 | 0 | 112 | L365 Y370 L373 S421 L422 S423 R427 K429 V430 L434 Q510 | L365-Y425 HydrophobicContact CD1-CE1 4.45Å; L365-Y425 VanDerWaalsContact CD1-OH 3.23Å; L365-Y425 WeakPolarHBondContact CD1-OH 3.13Å; Y370-Y425 AromaticContact CE1-CE1 3.95Å; Y370-Y425 HydrophobicContact CE1-CE1 3.95Å; L373-Y425 HydrophobicContact CD1-CD1 3.99Å; L373-Y425 HydrophobicContact CD1-CE1 3.67Å; S421-Y425 PolarHBondContact O-N 2.91Å; L422-Y425 WeakPolarHBondContact O-CB 3.34Å; L422-Y425 PolarHBondContact O-N 2.87Å; S423-Y425 PolarHBondContact O-N 2.81Å; Y425-R427 VanDerWaalsContact C-N 3.33Å; Y425-R427 PolarHBondContact O-N 3.38Å; Y425-K429 WeakPolarHBondContact O-CA 3.5Å; Y425-K429 PolarHBondContact O-N 2.91Å; Y425-V430 WeakPolarHBondContact CD2-O 3.32Å; Y425-L434 HydrophobicContact CD1-CD1 4.29Å; Y425-L434 HydrophobicContact CD2-CB 3.79Å; Y425-L434 HydrophobicContact CE1-CD1 4.27Å; Y425-L434 HydrophobicContact CE2-CB 3.94Å; Y425-L434 HydrophobicContact CE2-CD1 4.48Å; Y425-L434 HydrophobicContact CE2-CD2 4.18Å; Y425-L434 HydrophobicContact CE2-CG 4.45Å; Y425-L434 HydrophobicContact CG-CB 4.31Å; Y425-L434 HydrophobicContact CG-CD1 4.4Å; Y425-Q510 VanDerWaalsContact OH-CD 3.25Å; Y425-Q510 PolarHBondContact OH-NE2 2.84Å; Y425-Q510 PolarHBondContact OH-OE1 3.24Å |
| 426 | V | 75.6 | Confident | 75.7 | Confident | 30 Ų | 30 | 42.9 Ų | 42.9 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.7 | -43 | -178.4 | 169.1 | 0 | 0 | 0 | 0 | 111 | L373 I374 L422 S423 K429 | L373-V426 HydrophobicContact CB-CG2 4.22Å; I374-V426 HydrophobicContact CD1-CG1 3.99Å; I374-V426 HydrophobicContact CG1-CG1 3.82Å; I374-V426 HydrophobicContact CG1-CG2 4.1Å; L422-V426 VanDerWaalsContact O-CG2 3.29Å; L422-V426 WeakPolarHBondContact O-CG2 3.49Å; L422-V426 PolarHBondContact O-N 3.41Å; S423-V426 PolarHBondContact O-N 3.16Å; V426-K429 PolarHBondContact O-NZ 3.33Å |
| 427 | R | 73.7 | Confident | 76.2 | Confident | 215 Ų | 215 | 41.1 Ų | 41.1 | 81% | 0.811 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -77.1 | -48.6 | -177.2 | -171 | 173.6 | -177.3 | 168.9 | 0.5 | 113 | S423 Y425 | S423-R427 WeakPolarHBondContact O-CB 3.44Å; S423-R427 PolarHBondContact O-N 2.94Å; Y425-R427 VanDerWaalsContact C-N 3.33Å; Y425-R427 PolarHBondContact O-N 3.38Å |
| 428 | S | 66.2 | Low | 76.5 | Confident | 53 Ų | 53 | 39.5 Ų | 39.5 | 37% | 0.371 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -105.3 | -5.3 | -168.3 | -54.9 | 0 | 0 | 0 | 0 | 113.3 | Y424 V430 | Y424-S428 WeakPolarHBondContact O-CB 3.46Å; Y424-S428 PolarHBondContact O-N 3.46Å; S428-V430 WeakPolarHBondContact O-CG2 3.5Å; S428-V430 PolarHBondContact O-N 2.92Å |
| 429 | K | 69.8 | Low | 76.4 | Confident | 71 Ų | 71 | 39.7 Ų | 39.7 | 31% | 0.309 | 20% | 0.198 | S | C | . | . | trans | 50.3 | 44.5 | -177 | -51 | -53.2 | -166.2 | -154 | 0 | 112.2 | Y370 Y425 V426 | Y370-K429 HydrophobicContact CE1-CD 3.72Å; Y370-K429 WeakPolarHBondContact OH-CD 3.42Å; Y370-K429 VanDerWaalsContact OH-CE 3.26Å; Y370-K429 WeakPolarHBondContact OH-CE 3.21Å; Y425-K429 WeakPolarHBondContact O-CA 3.5Å; Y425-K429 PolarHBondContact O-N 2.91Å; V426-K429 PolarHBondContact O-NZ 3.33Å | ||
| 430 | V | 67.1 | Low | 76.5 | Confident | 48 Ų | 48 | 40.8 Ų | 40.8 | 29% | 0.291 | 20% | 0.201 | S | C | . | . | trans | -99.5 | 101.7 | -179.3 | -170.6 | 0 | 0 | 0 | 0 | 109.6 | Y424 Y425 S428 I432 A433 | Y424-V430 HydrophobicContact CD1-CB 4.1Å; Y424-V430 HydrophobicContact CD1-CG2 4.23Å; Y424-V430 HydrophobicContact CE1-CB 3.82Å; Y424-V430 HydrophobicContact CE1-CG1 4.33Å; Y424-V430 HydrophobicContact CE1-CG2 3.6Å; Y425-V430 WeakPolarHBondContact CD2-O 3.32Å; S428-V430 WeakPolarHBondContact O-CG2 3.5Å; S428-V430 PolarHBondContact O-N 2.92Å; V430-I432 HydrophobicContact CG1-CB 4.49Å; V430-I432 HydrophobicContact CG1-CG2 3.71Å; V430-I432 PolarHBondContact O-N 2.84Å; V430-I432 VanDerWaalsContact O-N 3.1Å; V430-A433 VanDerWaalsContact O-CB 3.25Å; V430-A433 WeakPolarHBondContact O-CB 3.41Å; V430-A433 PolarHBondContact O-N 3.45Å | ||
| 431 | D | 69.5 | Low | 77.1 | Confident | 9 Ų | 9 | 35.8 Ų | 35.8 | 5% | 0.048 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -45 | -34.5 | 176.9 | -80.1 | 20.4 | 0 | 0 | 0 | 115.3 | L358 P359 A433 L434 A435 F591 | L358-D431 HydrophobicContact CD2-CB 3.21Å; L358-D431 WeakPolarHBondContact CD2-OD2 3.5Å; P359-D431 WeakPolarHBondContact CD-OD2 3.35Å; D431-A433 PolarHBondContact O-N 3.23Å; D431-L434 VanDerWaalsContact O-CB 3.26Å; D431-L434 WeakPolarHBondContact O-CB 3.39Å; D431-L434 PolarHBondContact O-N 3.2Å; D431-A435 PolarHBondContact O-N 2.94Å; D431-A435 VanDerWaalsContact O-N 3.11Å; D431-F591 HydrophobicContact CB-CE1 4.05Å; D431-F591 HydrophobicContact CB-CE2 3.85Å; D431-F591 HydrophobicContact CB-CZ 3.2Å; D431-F591 VanDerWaalsContact CG-CZ 3.43Å; D431-F591 WeakPolarHBondContact O-CE1 3.31Å; D431-F591 WeakPolarHBondContact OD2-CE2 3.48Å; D431-F591 WeakPolarHBondContact OD2-CZ 3.31Å |
| 432 | I | 67.7 | Low | 77.4 | Confident | 49 Ų | 49 | 35.6 Ų | 35.6 | 25% | 0.251 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.7 | -32.1 | 175.8 | -157.6 | 162.5 | 0 | 0 | 0 | 112.7 | L354 V430 L434 A435 L436 F598 | L354-I432 HydrophobicContact CD1-CB 4.23Å; L354-I432 HydrophobicContact CD1-CD1 3.26Å; L354-I432 HydrophobicContact CD1-CG1 4.2Å; V430-I432 HydrophobicContact CG1-CB 4.49Å; V430-I432 HydrophobicContact CG1-CG2 3.71Å; V430-I432 PolarHBondContact O-N 2.84Å; V430-I432 VanDerWaalsContact O-N 3.1Å; I432-L434 PolarHBondContact O-N 3.13Å; I432-A435 PolarHBondContact O-N 2.96Å; I432-L436 WeakPolarHBondContact O-CG 3.23Å; I432-L436 PolarHBondContact O-N 3.25Å; I432-F598 HydrophobicContact CD1-CE2 4.11Å; I432-F598 HydrophobicContact CD1-CZ 3.99Å; I432-F598 HydrophobicContact CG1-CE2 4.13Å; I432-F598 HydrophobicContact CG1-CZ 4.45Å |
| 433 | A | 71.8 | Confident | 77.4 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.033 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.9 | -29.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | S421 Y424 V430 D431 S437 | S421-A433 WeakPolarHBondContact CB-O 3.33Å; S421-A433 VanDerWaalsContact O-CB 3.3Å; S421-A433 WeakPolarHBondContact O-CB 3.46Å; Y424-A433 HydrophobicContact CD1-CB 3.93Å; V430-A433 VanDerWaalsContact O-CB 3.25Å; V430-A433 WeakPolarHBondContact O-CB 3.41Å; V430-A433 PolarHBondContact O-N 3.45Å; D431-A433 PolarHBondContact O-N 3.23Å; A433-S437 WeakPolarHBondContact O-CB 3.4Å; A433-S437 PolarHBondContact O-N 3.21Å |
| 434 | L | 78.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67 | -44.1 | 170.3 | -168.6 | 71.5 | 0 | 0 | 0 | 111.2 | L422 Y425 D431 I432 S437 T438 L503 V506 M507 F591 | L422-L434 HydrophobicContact CD2-CD1 4.46Å; Y425-L434 HydrophobicContact CD1-CD1 4.29Å; Y425-L434 HydrophobicContact CD2-CB 3.79Å; Y425-L434 HydrophobicContact CE1-CD1 4.27Å; Y425-L434 HydrophobicContact CE2-CB 3.94Å; Y425-L434 HydrophobicContact CE2-CD1 4.48Å; Y425-L434 HydrophobicContact CE2-CD2 4.18Å; Y425-L434 HydrophobicContact CE2-CG 4.45Å; Y425-L434 HydrophobicContact CG-CB 4.31Å; Y425-L434 HydrophobicContact CG-CD1 4.4Å; D431-L434 VanDerWaalsContact O-CB 3.26Å; D431-L434 WeakPolarHBondContact O-CB 3.39Å; D431-L434 PolarHBondContact O-N 3.2Å; I432-L434 PolarHBondContact O-N 3.13Å; L434-S437 PolarHBondContact O-N 3.45Å; L434-S437 PolarHBondContact O-OG 3.41Å; L434-T438 PolarHBondContact O-N 3.37Å; L434-T438 PolarHBondContact O-OG1 3.25Å; L434-L503 HydrophobicContact CD1-CD2 3.61Å; L434-V506 HydrophobicContact CD2-CB 4.43Å; L434-V506 HydrophobicContact CD2-CG1 3.77Å; L434-M507 HydrophobicContact CD2-CB 4.45Å; L434-M507 HydrophobicContact CD2-CG 3.45Å; L434-M507 VanDerWaalsContact CD2-CG 3.45Å; L434-M507 HydrophobicContact CG-CG 3.86Å; L434-F591 HydrophobicContact CB-CE1 4.35Å; L434-F591 HydrophobicContact CD2-CE1 4.32Å |
| 435 | A | 75.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.1 | -48.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | D431 I432 S437 T438 V439 F591 I594 V595 | D431-A435 PolarHBondContact O-N 2.94Å; D431-A435 VanDerWaalsContact O-N 3.11Å; I432-A435 PolarHBondContact O-N 2.96Å; A435-S437 VanDerWaalsContact C-N 3.34Å; A435-S437 PolarHBondContact O-N 3.29Å; A435-T438 WeakPolarHBondContact O-CB 3.48Å; A435-T438 PolarHBondContact O-N 2.89Å; A435-T438 VanDerWaalsContact O-N 3.1Å; A435-V439 WeakPolarHBondContact O-CG2 3.34Å; A435-V439 PolarHBondContact O-N 3.09Å; A435-F591 HydrophobicContact CB-CD1 4.18Å; A435-F591 HydrophobicContact CB-CE1 4.28Å; A435-I594 HydrophobicContact CB-CG2 3.85Å; A435-V595 HydrophobicContact CB-CG2 3.95Å |
| 436 | L | 76.9 | Confident | 78.5 | Confident | 48 Ų | 48 | 29.3 Ų | 29.3 | 25% | 0.251 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -59.9 | -42.9 | 175.6 | -72.9 | 170.3 | 0 | 0 | 0 | 111.8 | I432 T438 V439 F440 F598 | I432-L436 WeakPolarHBondContact O-CG 3.23Å; I432-L436 PolarHBondContact O-N 3.25Å; L436-T438 PolarHBondContact O-N 3.03Å; L436-V439 WeakPolarHBondContact O-CB 3.42Å; L436-V439 PolarHBondContact O-N 2.74Å; L436-F440 HydrophobicContact CB-CE2 4.29Å; L436-F440 WeakPolarHBondContact O-CD2 3.4Å; L436-F440 PolarHBondContact O-N 2.7Å; L436-F598 HydrophobicContact CD2-CD1 4.4Å; L436-F598 HydrophobicContact CD2-CD2 4.1Å; L436-F598 HydrophobicContact CD2-CE2 4.22Å; L436-F598 HydrophobicContact CD2-CG 4.2Å; L436-F598 HydrophobicContact CD2-CZ 4.45Å |
| 437 | S | 86.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.8 | -39.4 | 175.1 | 77.6 | 0 | 0 | 0 | 0 | 111.7 | A433 L434 A435 F440 V441 L503 | A433-S437 WeakPolarHBondContact O-CB 3.4Å; A433-S437 PolarHBondContact O-N 3.21Å; L434-S437 PolarHBondContact O-N 3.45Å; L434-S437 PolarHBondContact O-OG 3.41Å; A435-S437 VanDerWaalsContact C-N 3.34Å; A435-S437 PolarHBondContact O-N 3.29Å; S437-F440 PolarHBondContact O-N 2.7Å; S437-V441 WeakPolarHBondContact O-CB 3.39Å; S437-V441 WeakPolarHBondContact O-CG2 3.4Å; S437-V441 PolarHBondContact O-N 3.21Å; S437-L503 WeakPolarHBondContact OG-CD1 3.49Å |
| 438 | T | 85.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.2 | -42.6 | 178.2 | -52.1 | 0 | 0 | 0 | 0 | 110.9 | L434 A435 L436 F440 V441 L442 F504 M507 V595 | L434-T438 PolarHBondContact O-N 3.37Å; L434-T438 PolarHBondContact O-OG1 3.25Å; A435-T438 WeakPolarHBondContact O-CB 3.48Å; A435-T438 PolarHBondContact O-N 2.89Å; A435-T438 VanDerWaalsContact O-N 3.1Å; L436-T438 PolarHBondContact O-N 3.03Å; T438-F440 PolarHBondContact O-N 2.91Å; T438-V441 PolarHBondContact O-N 2.9Å; T438-L442 HydrophobicContact CG2-CD1 4.19Å; T438-L442 VanDerWaalsContact O-CG 3.25Å; T438-L442 WeakPolarHBondContact O-CG 3.45Å; T438-L442 PolarHBondContact O-N 3.31Å; T438-F504 HydrophobicContact CG2-CD2 4.39Å; T438-F504 HydrophobicContact CG2-CE1 4.35Å; T438-F504 HydrophobicContact CG2-CE2 3.98Å; T438-F504 HydrophobicContact CG2-CZ 3.95Å; T438-M507 HydrophobicContact CG2-CE 3.87Å; T438-V595 HydrophobicContact CG2-CG1 4.08Å; T438-V595 HydrophobicContact CG2-CG2 4.3Å |
| 439 | V | 83.8 | Confident | 79.9 | Confident | 5 Ų | 5 | 16.8 Ų | 16.8 | 3% | 0.03 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57.8 | -51 | 175.6 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | A435 L436 V441 L442 M443 V595 F598 L599 | A435-V439 WeakPolarHBondContact O-CG2 3.34Å; A435-V439 PolarHBondContact O-N 3.09Å; L436-V439 WeakPolarHBondContact O-CB 3.42Å; L436-V439 PolarHBondContact O-N 2.74Å; V439-V441 VanDerWaalsContact C-N 3.33Å; V439-V441 PolarHBondContact O-N 2.89Å; V439-L442 PolarHBondContact O-N 3.48Å; V439-M443 HydrophobicContact CG1-CG 4.48Å; V439-M443 WeakPolarHBondContact O-CG 3.27Å; V439-M443 PolarHBondContact O-N 3.42Å; V439-V595 HydrophobicContact CG2-CB 4.44Å; V439-V595 HydrophobicContact CG2-CG1 3.89Å; V439-F598 HydrophobicContact CG2-CB 3.79Å; V439-L599 HydrophobicContact CB-CD1 4.43Å; V439-L599 HydrophobicContact CG1-CD1 4.13Å; V439-L599 HydrophobicContact CG1-CG 4.35Å; V439-L599 HydrophobicContact CG2-CD1 4.36Å |
| 440 | F | 84 | Confident | 80.2 | Confident | 28 Ų | 28 | 13.4 Ų | 13.4 | 12% | 0.123 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66.5 | -33.8 | -178.8 | -65.9 | -57.9 | 0 | 0 | 0 | 113.1 | Y414 M417 I418 L436 S437 T438 M443 T444 | Y414-F440 HydrophobicContact CD1-CD1 4.08Å; M417-F440 HydrophobicContact CB-CD1 4.08Å; M417-F440 HydrophobicContact CB-CD2 3.71Å; M417-F440 HydrophobicContact CB-CE1 4.08Å; M417-F440 HydrophobicContact CB-CE2 3.72Å; M417-F440 HydrophobicContact CB-CG 3.91Å; M417-F440 HydrophobicContact CB-CZ 3.91Å; M417-F440 HydrophobicContact CE-CE2 3.91Å; M417-F440 HydrophobicContact CE-CZ 3.74Å; M417-F440 HydrophobicContact CG-CE1 4.39Å; M417-F440 HydrophobicContact CG-CE2 4.47Å; M417-F440 HydrophobicContact CG-CZ 4.24Å; I418-F440 HydrophobicContact CD1-CB 4.18Å; I418-F440 HydrophobicContact CG1-CB 3.44Å; I418-F440 VanDerWaalsContact CG1-CB 3.44Å; L436-F440 HydrophobicContact CB-CE2 4.29Å; L436-F440 WeakPolarHBondContact O-CD2 3.4Å; L436-F440 PolarHBondContact O-N 2.7Å; S437-F440 PolarHBondContact O-N 2.7Å; T438-F440 PolarHBondContact O-N 2.91Å; F440-M443 PolarHBondContact O-N 3.42Å; F440-T444 WeakPolarHBondContact O-CB 3.41Å; F440-T444 PolarHBondContact O-N 2.78Å; F440-T444 PolarHBondContact O-OG1 3.45Å |
| 441 | V | 90 | Very high | 80.6 | Confident | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.8 | -45.1 | 173.1 | 168.8 | 0 | 0 | 0 | 0 | 110.8 | I418 S437 T438 V439 T444 M445 S496 T499 A500 L503 | I418-V441 HydrophobicContact CD1-CB 4.28Å; I418-V441 HydrophobicContact CD1-CG2 3.64Å; I418-V441 HydrophobicContact CG1-CG2 3.88Å; I418-V441 HydrophobicContact CG2-CG2 3.98Å; S437-V441 WeakPolarHBondContact O-CB 3.39Å; S437-V441 WeakPolarHBondContact O-CG2 3.4Å; S437-V441 PolarHBondContact O-N 3.21Å; T438-V441 PolarHBondContact O-N 2.9Å; V439-V441 VanDerWaalsContact C-N 3.33Å; V439-V441 PolarHBondContact O-N 2.89Å; V441-T444 PolarHBondContact O-N 2.87Å; V441-M445 WeakPolarHBondContact O-CB 3.37Å; V441-M445 PolarHBondContact O-N 3.41Å; V441-S496 WeakPolarHBondContact CG1-O 3.45Å; V441-T499 HydrophobicContact CG1-CG2 4.29Å; V441-T499 HydrophobicContact CG2-CG2 3.74Å; V441-A500 HydrophobicContact CG1-CB 3.83Å; V441-L503 HydrophobicContact CG2-CD1 3.87Å |
| 442 | L | 87.8 | Confident | 81.1 | Confident | 6 Ų | 6 | 12.5 Ų | 12.5 | 3% | 0.031 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.5 | -38.8 | 178.6 | -63.5 | 170.9 | 0 | 0 | 0 | 111.5 | T438 V439 M445 S446 A500 F504 L573 V577 V595 L599 | T438-L442 HydrophobicContact CG2-CD1 4.19Å; T438-L442 VanDerWaalsContact O-CG 3.25Å; T438-L442 WeakPolarHBondContact O-CG 3.45Å; T438-L442 PolarHBondContact O-N 3.31Å; V439-L442 PolarHBondContact O-N 3.48Å; L442-M445 HydrophobicContact CD2-CE 4.17Å; L442-M445 WeakPolarHBondContact O-CB 3.43Å; L442-M445 PolarHBondContact O-N 3.46Å; L442-S446 PolarHBondContact O-N 3.45Å; L442-S446 VanDerWaalsContact O-N 3.08Å; L442-A500 HydrophobicContact CD2-CB 4.08Å; L442-F504 HydrophobicContact CD1-CE2 4.25Å; L442-F504 HydrophobicContact CD1-CZ 4.13Å; L442-F504 HydrophobicContact CD2-CE2 4.19Å; L442-L573 HydrophobicContact CB-CD1 4.27Å; L442-L573 HydrophobicContact CB-CD2 3.72Å; L442-L573 HydrophobicContact CB-CG 4.38Å; L442-L573 HydrophobicContact CD2-CD1 3.97Å; L442-L573 WeakPolarHBondContact O-CD2 3.28Å; L442-V577 HydrophobicContact CD1-CG2 4.19Å; L442-V595 HydrophobicContact CD1-CG1 4.24Å; L442-L599 HydrophobicContact CB-CD1 4.21Å; L442-L599 HydrophobicContact CD1-CD1 3.69Å |
| 443 | M | 83.8 | Confident | 81.5 | Confident | 5 Ų | 5 | 13.2 Ų | 13.2 | 3% | 0.025 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 174 | -70 | -67.1 | 164 | 0 | 0 | 112.4 | Y414 V439 F440 M445 S446 V447 L599 F602 | Y414-M443 HydrophobicContact CD2-CB 3.8Å; Y414-M443 HydrophobicContact CE2-CB 3.75Å; Y414-M443 HydrophobicContact CG-CB 4.27Å; V439-M443 HydrophobicContact CG1-CG 4.48Å; V439-M443 WeakPolarHBondContact O-CG 3.27Å; V439-M443 PolarHBondContact O-N 3.42Å; F440-M443 PolarHBondContact O-N 3.42Å; M443-M445 VanDerWaalsContact C-N 3.26Å; M443-M445 PolarHBondContact O-N 3.45Å; M443-S446 WeakPolarHBondContact O-CB 3.13Å; M443-S446 PolarHBondContact O-N 2.82Å; M443-V447 PolarHBondContact O-N 2.89Å; M443-L599 HydrophobicContact CE-CD2 3.72Å; M443-L599 HydrophobicContact CE-CG 3.65Å; M443-F602 HydrophobicContact CE-CB 4.44Å; M443-F602 HydrophobicContact CE-CD1 3.42Å; M443-F602 VanDerWaalsContact CE-CD1 3.42Å; M443-F602 HydrophobicContact CE-CE1 3.95Å; M443-F602 HydrophobicContact CE-CG 4.18Å; M443-F602 HydrophobicContact CG-CE1 4.37Å; M443-F602 HydrophobicContact SD-CD1 3.77Å; M443-F602 HydrophobicContact SD-CE1 3.62Å |
| 444 | T | 85.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59.5 | -40.4 | 174.5 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | Y414 L415 I418 F440 V441 V447 S448 | Y414-T444 WeakPolarHBondContact CB-OG1 3.48Å; L415-T444 HydrophobicContact CD2-CG2 3.66Å; L415-T444 HydrophobicContact CG-CG2 4.21Å; I418-T444 WeakPolarHBondContact CD1-OG1 3.13Å; F440-T444 WeakPolarHBondContact O-CB 3.41Å; F440-T444 PolarHBondContact O-N 2.78Å; F440-T444 PolarHBondContact O-OG1 3.45Å; V441-T444 PolarHBondContact O-N 2.87Å; T444-V447 PolarHBondContact O-N 2.97Å; T444-S448 VanDerWaalsContact O-CB 3.26Å; T444-S448 WeakPolarHBondContact O-CB 3.37Å; T444-S448 PolarHBondContact O-N 2.99Å; T444-S448 PolarHBondContact O-OG 3.49Å |
| 445 | M | 86.8 | Confident | 81.1 | Confident | 36 Ų | 36 | 14 Ų | 14 | 18% | 0.177 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 176.9 | -166.5 | -179.1 | 66 | 0 | 0 | 111.4 | V441 L442 M443 S448 A449 L493 L497 L573 | V441-M445 WeakPolarHBondContact O-CB 3.37Å; V441-M445 PolarHBondContact O-N 3.41Å; L442-M445 HydrophobicContact CD2-CE 4.17Å; L442-M445 WeakPolarHBondContact O-CB 3.43Å; L442-M445 PolarHBondContact O-N 3.46Å; M443-M445 VanDerWaalsContact C-N 3.26Å; M443-M445 PolarHBondContact O-N 3.45Å; M445-S448 PolarHBondContact O-N 3.25Å; M445-A449 WeakPolarHBondContact O-CB 3.26Å; M445-A449 PolarHBondContact O-N 2.77Å; M445-L493 HydrophobicContact CB-CD1 4.39Å; M445-L493 HydrophobicContact CG-CD1 3.51Å; M445-L493 VanDerWaalsContact O-CD1 3.32Å; M445-L493 WeakPolarHBondContact O-CD1 3.42Å; M445-L497 HydrophobicContact SD-CB 4.49Å; M445-L497 HydrophobicContact SD-CD1 3.99Å; M445-L573 HydrophobicContact CE-CD1 3.46Å; M445-L573 VanDerWaalsContact CE-CD1 3.46Å |
| 446 | S | 82.9 | Confident | 80.9 | Confident | 9 Ų | 9 | 17.1 Ų | 17.1 | 6% | 0.063 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.5 | -50.6 | 176.9 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | L442 M443 S448 A449 H450 | L442-S446 PolarHBondContact O-N 3.45Å; L442-S446 VanDerWaalsContact O-N 3.08Å; M443-S446 WeakPolarHBondContact O-CB 3.13Å; M443-S446 PolarHBondContact O-N 2.82Å; S446-S448 PolarHBondContact O-N 2.89Å; S446-A449 PolarHBondContact O-N 3.19Å; S446-H450 WeakPolarHBondContact O-CB 3.33Å; S446-H450 PolarHBondContact O-N 2.96Å |
| 447 | V | 78.3 | Confident | 80.4 | Confident | 5 Ų | 5 | 16.5 Ų | 16.5 | 3% | 0.03 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.8 | -39.4 | -179.9 | 177.5 | 0 | 0 | 0 | 0 | 111.9 | F407 I410 S411 Y414 M443 T444 H450 A451 M566 | F407-V447 HydrophobicContact CB-CG1 4.06Å; F407-V447 HydrophobicContact CD1-CG1 4.34Å; F407-V447 WeakPolarHBondContact O-CG1 3.23Å; I410-V447 HydrophobicContact CB-CG1 4.27Å; I410-V447 HydrophobicContact CG2-CG1 4.26Å; I410-V447 HydrophobicContact CG2-CG2 3.81Å; S411-V447 WeakPolarHBondContact OG-CG1 3.26Å; Y414-V447 HydrophobicContact CD2-CG2 4.27Å; Y414-V447 HydrophobicContact CE2-CG2 3.73Å; M443-V447 PolarHBondContact O-N 2.89Å; T444-V447 PolarHBondContact O-N 2.97Å; V447-H450 PolarHBondContact O-N 3.28Å; V447-A451 WeakPolarHBondContact O-CB 3.38Å; V447-A451 PolarHBondContact O-N 3.01Å; V447-M566 HydrophobicContact CG2-SD 4.24Å |
| 448 | S | 84.2 | Confident | 79.1 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.4 | -41.4 | 178 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | T444 M445 S446 H450 A451 L452 | T444-S448 VanDerWaalsContact O-CB 3.26Å; T444-S448 WeakPolarHBondContact O-CB 3.37Å; T444-S448 PolarHBondContact O-N 2.99Å; T444-S448 PolarHBondContact O-OG 3.49Å; M445-S448 PolarHBondContact O-N 3.25Å; S446-S448 PolarHBondContact O-N 2.89Å; S448-H450 VanDerWaalsContact C-N 3.31Å; S448-A451 PolarHBondContact O-N 3.49Å; S448-L452 WeakPolarHBondContact O-CG 3.46Å; S448-L452 PolarHBondContact O-N 3.32Å; S448-L452 VanDerWaalsContact O-N 3.17Å |
| 449 | A | 83 | Confident | 78 | Confident | 29 Ų | 29 | 18.3 Ų | 18.3 | 24% | 0.24 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.2 | -40.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | M445 S446 L452 Y453 L493 L569 | M445-A449 WeakPolarHBondContact O-CB 3.26Å; M445-A449 PolarHBondContact O-N 2.77Å; S446-A449 PolarHBondContact O-N 3.19Å; A449-L452 PolarHBondContact O-N 3.44Å; A449-Y453 PolarHBondContact O-N 2.84Å; A449-Y453 VanDerWaalsContact O-N 3.07Å; A449-L493 HydrophobicContact CB-CD1 4.03Å; A449-L569 HydrophobicContact CB-CD1 4.18Å |
| 450 | H | 76.2 | Confident | 76.9 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.6 | -44.4 | 176.3 | -175.1 | -106 | 0 | 0 | 0 | 112.7 | F407 S446 V447 S448 L452 Y453 V454 A562 M566 L569 | F407-H450 AromaticContact CD1-ND1 3.49Å; F407-H450 WeakPolarHBondContact CD1-ND1 3.41Å; F407-H450 AromaticContact CE1-CE1 3.42Å; F407-H450 VanDerWaalsContact CE1-CE1 3.42Å; F407-H450 WeakPolarHBondContact CE1-CE1 3.46Å; F407-H450 AromaticContact CE1-ND1 3.07Å; F407-H450 WeakPolarHBondContact CE1-ND1 3.45Å; F407-H450 AromaticContact CE2-CE1 3.75Å; F407-H450 AromaticContact CE2-ND1 3.86Å; F407-H450 AromaticContact CZ-CE1 3.16Å; F407-H450 WeakPolarHBondContact CZ-CE1 2.94Å; F407-H450 AromaticContact CZ-ND1 3.3Å; F407-H450 VanDerWaalsContact CZ-ND1 3.3Å; F407-H450 WeakPolarHBondContact CZ-ND1 3.4Å; S446-H450 WeakPolarHBondContact O-CB 3.33Å; S446-H450 PolarHBondContact O-N 2.96Å; V447-H450 PolarHBondContact O-N 3.28Å; S448-H450 VanDerWaalsContact C-N 3.31Å; H450-L452 VanDerWaalsContact C-N 3.3Å; H450-L452 PolarHBondContact O-N 2.85Å; H450-Y453 WeakPolarHBondContact O-CB 3.48Å; H450-Y453 PolarHBondContact O-N 3.32Å; H450-Y453 VanDerWaalsContact O-N 3.11Å; H450-V454 WeakPolarHBondContact CE1-CG2 3.4Å; H450-V454 WeakPolarHBondContact NE2-CG2 3Å; H450-V454 WeakPolarHBondContact O-CG2 3.5Å; H450-V454 PolarHBondContact O-N 2.98Å; H450-A562 PolarHBondContact CE1-O 3.28Å; H450-A562 PolarHBondContact NE2-O 3.05Å; H450-M566 HydrophobicContact CB-CB 4.29Å; H450-M566 HydrophobicContact CB-CG 4.2Å; H450-M566 PolarHBondContact CD2-N 3.03Å; H450-L569 HydrophobicContact CB-CD1 3.97Å |
| 451 | A | 74.7 | Confident | 75.4 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.5 | -41.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F407 V447 S448 V454 Y455 S489 | F407-A451 HydrophobicContact CB-CB 3.96Å; V447-A451 WeakPolarHBondContact O-CB 3.38Å; V447-A451 PolarHBondContact O-N 3.01Å; S448-A451 PolarHBondContact O-N 3.49Å; A451-V454 PolarHBondContact O-N 3.27Å; A451-Y455 WeakPolarHBondContact O-CB 3.44Å; A451-Y455 PolarHBondContact O-N 2.99Å; A451-S489 WeakPolarHBondContact CB-OG 3.35Å |
| 452 | L | 79.7 | Confident | 73.6 | Confident | 37 Ų | 37 | 30.5 Ų | 30.5 | 19% | 0.194 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 174.7 | -70.4 | 170.5 | 0 | 0 | 0 | 112.3 | S448 A449 H450 Y455 T456 A486 F490 L493 | S448-L452 WeakPolarHBondContact O-CG 3.46Å; S448-L452 PolarHBondContact O-N 3.32Å; S448-L452 VanDerWaalsContact O-N 3.17Å; A449-L452 PolarHBondContact O-N 3.44Å; H450-L452 VanDerWaalsContact C-N 3.3Å; H450-L452 PolarHBondContact O-N 2.85Å; L452-Y455 PolarHBondContact O-N 3.49Å; L452-T456 PolarHBondContact O-N 3.45Å; L452-T456 PolarHBondContact O-OG1 3.42Å; L452-A486 HydrophobicContact CD2-CB 4.41Å; L452-A486 VanDerWaalsContact CD2-O 3.31Å; L452-A486 WeakPolarHBondContact CD2-O 3.49Å; L452-F490 HydrophobicContact CD1-CB 4.39Å; L452-F490 HydrophobicContact CD1-CD2 4.25Å; L452-F490 HydrophobicContact CD2-CB 4.06Å; L452-L493 HydrophobicContact CD1-CD2 3.79Å |
| 453 | Y | 76.4 | Confident | 71.6 | Confident | 65 Ų | 65 | 34.8 Ų | 34.8 | 26% | 0.255 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.5 | -49.4 | 175.1 | 169.8 | -94.7 | 0 | 0 | 0 | 111.6 | A449 H450 Y455 T456 D457 R551 V565 | A449-Y453 PolarHBondContact O-N 2.84Å; A449-Y453 VanDerWaalsContact O-N 3.07Å; H450-Y453 WeakPolarHBondContact O-CB 3.48Å; H450-Y453 PolarHBondContact O-N 3.32Å; H450-Y453 VanDerWaalsContact O-N 3.11Å; Y453-Y455 VanDerWaalsContact C-N 3.3Å; Y453-Y455 PolarHBondContact O-N 3.36Å; Y453-T456 WeakPolarHBondContact CA-OG1 2.81Å; Y453-T456 PolarHBondContact O-N 3.01Å; Y453-T456 PolarHBondContact O-OG1 2.97Å; Y453-D457 PolarHBondContact O-N 3.1Å; Y453-R551 VanDerWaalsContact CZ-NH2 3.3Å; Y453-R551 PolarHBondContact OH-NH1 3.07Å; Y453-R551 PolarHBondContact OH-NH2 3.38Å; Y453-V565 HydrophobicContact CD1-CB 4.31Å; Y453-V565 HydrophobicContact CD1-CG1 3.81Å; Y453-V565 HydrophobicContact CE1-CB 3.94Å; Y453-V565 HydrophobicContact CE1-CG1 3.77Å; Y453-V565 HydrophobicContact CE1-CG2 3.68Å; Y453-V565 HydrophobicContact CE2-CG1 4.44Å; Y453-V565 HydrophobicContact CG-CG1 4.16Å; Y453-V565 WeakPolarHBondContact OH-CG2 3.28Å |
| 454 | V | 69.4 | Low | 69.7 | Low | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.8 | -42.3 | 177.5 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | L404 F407 H450 A451 D457 T458 A562 | L404-V454 HydrophobicContact CG-CG1 4.35Å; F407-V454 HydrophobicContact CE2-CG2 4.06Å; H450-V454 WeakPolarHBondContact CE1-CG2 3.4Å; H450-V454 WeakPolarHBondContact NE2-CG2 3Å; H450-V454 WeakPolarHBondContact O-CG2 3.5Å; H450-V454 PolarHBondContact O-N 2.98Å; A451-V454 PolarHBondContact O-N 3.27Å; V454-D457 PolarHBondContact O-N 3.43Å; V454-T458 HydrophobicContact CG1-CG2 4.03Å; V454-T458 WeakPolarHBondContact O-CB 3.35Å; V454-T458 WeakPolarHBondContact O-CG2 3.33Å; V454-T458 PolarHBondContact O-N 3.25Å; V454-T458 PolarHBondContact O-OG1 3.23Å; V454-A562 HydrophobicContact CG2-CB 3.95Å |
| 455 | Y | 71.9 | Confident | 67.6 | Low | 14 Ų | 14 | 43.3 Ų | 43.3 | 6% | 0.055 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.4 | -46.8 | 175.6 | 176.5 | -99.8 | 0 | 0 | 0 | 112.4 | L404 A451 L452 Y453 D457 S459 L460 H482 A486 | L404-Y455 HydrophobicContact CD1-CD2 4.09Å; A451-Y455 WeakPolarHBondContact O-CB 3.44Å; A451-Y455 PolarHBondContact O-N 2.99Å; L452-Y455 PolarHBondContact O-N 3.49Å; Y453-Y455 VanDerWaalsContact C-N 3.3Å; Y453-Y455 PolarHBondContact O-N 3.36Å; Y455-D457 VanDerWaalsContact C-N 3.29Å; Y455-D457 PolarHBondContact O-N 3.49Å; Y455-S459 WeakPolarHBondContact O-CA 3.15Å; Y455-S459 VanDerWaalsContact O-CB 3.25Å; Y455-S459 WeakPolarHBondContact O-CB 2.97Å; Y455-S459 PolarHBondContact O-N 2.87Å; Y455-L460 HydrophobicContact CE1-CD1 3.92Å; Y455-L460 PolarHBondContact O-N 2.69Å; Y455-H482 HydrophobicContact CD2-CB 4.16Å; Y455-H482 HydrophobicContact CE2-CB 3.86Å; Y455-H482 WeakPolarHBondContact CE2-O 3.2Å; Y455-A486 HydrophobicContact CD1-CB 3.59Å; Y455-A486 HydrophobicContact CD2-CB 3.74Å; Y455-A486 HydrophobicContact CE1-CB 3.86Å; Y455-A486 HydrophobicContact CE2-CB 4.01Å; Y455-A486 HydrophobicContact CG-CB 3.53Å |
| 456 | T | 72 | Confident | 65.4 | Low | 64 Ų | 64 | 47.9 Ų | 47.9 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -61 | -39.7 | 177.8 | 45.9 | 0 | 0 | 0 | 0 | 112.4 | L452 Y453 L460 N461 | L452-T456 PolarHBondContact O-N 3.45Å; L452-T456 PolarHBondContact O-OG1 3.42Å; Y453-T456 WeakPolarHBondContact CA-OG1 2.81Å; Y453-T456 PolarHBondContact O-N 3.01Å; Y453-T456 PolarHBondContact O-OG1 2.97Å; T456-L460 WeakPolarHBondContact O-CB 3.3Å; T456-N461 PolarHBondContact O-N 2.95Å |
| 457 | D | 65.2 | Low | 63.7 | Low | 36 Ų | 36 | 51.6 Ų | 51.6 | 19% | 0.193 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -75.1 | -44.3 | -177.3 | -163.8 | 63.6 | 0 | 0 | 0 | 113.1 | Y453 V454 Y455 R551 | Y453-D457 PolarHBondContact O-N 3.1Å; V454-D457 PolarHBondContact O-N 3.43Å; Y455-D457 VanDerWaalsContact C-N 3.29Å; Y455-D457 PolarHBondContact O-N 3.49Å; D457-R551 IonicContact OD1-CZ 3.38Å; D457-R551 IonicContact OD1-NE 3.2Å; D457-R551 IonicContact OD1-NH1 3.73Å; D457-R551 PolarHBondContact OD1-NH1 3.49Å; D457-R551 IonicContact OD1-NH2 3.74Å; D457-R551 PolarHBondContact OD1-NH2 3.38Å; D457-R551 IonicContact OD2-CZ 2.69Å; D457-R551 IonicContact OD2-NH2 3.5Å; D457-R551 PolarHBondContact OD2-NH2 2.81Å |
| 458 | T | 60.7 | Low | 62.2 | Low | 29 Ų | 29 | 56.8 Ų | 56.8 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -86 | -40.2 | -174.2 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | V454 | V454-T458 HydrophobicContact CG1-CG2 4.03Å; V454-T458 WeakPolarHBondContact O-CB 3.35Å; V454-T458 WeakPolarHBondContact O-CG2 3.33Å; V454-T458 PolarHBondContact O-N 3.25Å; V454-T458 PolarHBondContact O-OG1 3.23Å |
| 459 | S | 60.8 | Low | 60.3 | Low | 9 Ų | 9 | 66.1 Ų | 66.1 | 6% | 0.063 | 34% | 0.339 | C | S | . | . | I | π-helix | trans | -103.9 | -43.1 | -166.9 | -54.5 | 0 | 0 | 0 | 0 | 111.6 | Y455 L463 L464 | Y455-S459 WeakPolarHBondContact O-CA 3.15Å; Y455-S459 VanDerWaalsContact O-CB 3.25Å; Y455-S459 WeakPolarHBondContact O-CB 2.97Å; Y455-S459 PolarHBondContact O-N 2.87Å; S459-L463 CarbonylContact O-C 3.56Å; S459-L463 WeakPolarHBondContact O-CA 3.41Å; S459-L463 WeakPolarHBondContact O-CB 3.34Å; S459-L463 PolarHBondContact O-N 3.42Å; S459-L463 VanDerWaalsContact O-N 3.16Å; S459-L464 PolarHBondContact O-N 2.95Å |
| 460 | L | 61.7 | Low | 58.6 | Low | 63 Ų | 63 | 69.3 Ų | 69.3 | 33% | 0.33 | 36% | 0.356 | S | S | . | . | I | π-helix | trans | -77.7 | -44.2 | -174.9 | -147.2 | 125.6 | 0 | 0 | 0 | 112.1 | Y455 T456 | Y455-L460 HydrophobicContact CE1-CD1 3.92Å; Y455-L460 PolarHBondContact O-N 2.69Å; T456-L460 WeakPolarHBondContact O-CB 3.3Å |
| 461 | N | 53.4 | Low | 57.1 | Low | 109 Ų | 109 | 71 Ų | 71 | 58% | 0.583 | 37% | 0.365 | S | S | * | . | I | π-helix | trans | -78.9 | -34.2 | -179.9 | -81.3 | -18.4 | 0 | 0 | 0 | 114.6 | T456 | T456-N461 PolarHBondContact O-N 2.95Å |
| 462 | K | 50.8 | Low | 55.9 | Low | 117 Ų | 117 | 73.6 Ų | 73.6 | 51% | 0.509 | 39% | 0.392 | S | S | . | . | I | π-helix | trans | -99.4 | -23.7 | -176.6 | -67.2 | 179.9 | -177.6 | 170.4 | 0 | 114.7 | D558 | K462-D558 IonicContact NZ-OD1 3.68Å; K462-D558 IonicContact NZ-OD2 3.71Å; K462-D558 PolarHBondContact NZ-OD2 3.45Å |
| 463 | L | 47.2 | Very low | 54.6 | Low | 96 Ų | 96 | 82.6 Ų | 82.6 | 50% | 0.503 | 42% | 0.423 | S | S | . | . | I | π-helix | trans | -127.3 | -34.9 | -166.5 | -103.1 | 136 | 0 | 0 | 0 | 115.2 | S459 | S459-L463 CarbonylContact O-C 3.56Å; S459-L463 WeakPolarHBondContact O-CA 3.41Å; S459-L463 WeakPolarHBondContact O-CB 3.34Å; S459-L463 PolarHBondContact O-N 3.42Å; S459-L463 VanDerWaalsContact O-N 3.16Å |
| 464 | L | 43 | Very low | 53.5 | Low | 50 Ų | 50 | 86.6 Ų | 86.6 | 26% | 0.262 | 45% | 0.449 | S | S | . | . | I | π-helix | trans | -85.3 | -41.4 | -171.8 | -137.8 | 100.7 | 0 | 0 | 0 | 113.3 | S459 N466 L468 | S459-L464 PolarHBondContact O-N 2.95Å; L464-N466 VanDerWaalsContact C-N 3.32Å; L464-N466 PolarHBondContact O-N 3.44Å; L464-L468 HydrophobicContact CD2-CD1 3.71Å; L464-L468 HydrophobicContact CG-CD1 3.66Å; L464-L468 HydrophobicContact CG-CG 4.15Å |
| 465 | L | 41.5 | Very low | 52.7 | Low | 134 Ų | 134 | 92.5 Ų | 92.5 | 70% | 0.702 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -71.7 | -23.2 | -178.1 | -92.1 | 155.2 | 0 | 0 | 0 | 113.9 | ||
| 466 | N | 41.6 | Very low | 52.1 | Low | 132 Ų | 132 | 99.9 Ų | 99.9 | 71% | 0.706 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -96.8 | -16.8 | -179.1 | -85.7 | -14.7 | 0 | 0 | 0 | 114.8 | L464 | L464-N466 VanDerWaalsContact C-N 3.32Å; L464-N466 PolarHBondContact O-N 3.44Å |
| 467 | H | 46.6 | Very low | 51.6 | Low | 86 Ų | 86 | 102.5 Ų | 102.5 | 40% | 0.398 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -144.7 | 11.9 | -156.6 | -96.6 | 21.9 | 0 | 0 | 0 | 118.1 | E469 T470 L471 | H467-E469 PolarHBondContact O-N 3.46Å; H467-T470 PolarHBondContact CE1-OG1 2.97Å; H467-T470 VanDerWaalsContact CG-OG1 3.26Å; H467-T470 PolarHBondContact ND1-OG1 3.38Å; H467-T470 PolarHBondContact O-N 3.41Å; H467-L471 HydrophobicContact CB-CD1 3.8Å; H467-L471 HydrophobicContact CB-CG 3.92Å; H467-L471 VanDerWaalsContact O-CD1 3.27Å; H467-L471 WeakPolarHBondContact O-CD1 3.37Å; H467-L471 VanDerWaalsContact O-CG 3.23Å; H467-L471 WeakPolarHBondContact O-CG 3.28Å; H467-L471 PolarHBondContact O-N 3.25Å |
| 468 | L | 46 | Very low | 51.2 | Low | 114 Ų | 114 | 102.1 Ų | 102.1 | 60% | 0.597 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -16.6 | 176.1 | -88.7 | 167 | 0 | 0 | 0 | 114.6 | L464 | L464-L468 HydrophobicContact CD2-CD1 3.71Å; L464-L468 HydrophobicContact CG-CD1 3.66Å; L464-L468 HydrophobicContact CG-CG 4.15Å |
| 469 | E | 44.9 | Very low | 51.3 | Low | 197 Ų | 197 | 102 Ų | 102 | 92% | 0.921 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -17.2 | 174.9 | -74.3 | -173.9 | 155 | 0 | 0 | 114.6 | H467 | H467-E469 PolarHBondContact O-N 3.46Š|
| 470 | T | 47.8 | Very low | 51.8 | Low | 95 Ų | 95 | 107.9 Ų | 107.9 | 58% | 0.583 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | -6.2 | -171.6 | 49.7 | 0 | 0 | 0 | 0 | 114.8 | H467 G472 | H467-T470 PolarHBondContact CE1-OG1 2.97Å; H467-T470 VanDerWaalsContact CG-OG1 3.26Å; H467-T470 PolarHBondContact ND1-OG1 3.38Å; H467-T470 PolarHBondContact O-N 3.41Å; T470-G472 PolarHBondContact O-N 3.31Å |
| 471 | L | 43.5 | Very low | 52.2 | Low | 37 Ų | 37 | 106.9 Ų | 106.9 | 19% | 0.194 | 53% | 0.531 | C | S | . | . | trans | -81.9 | 108 | -177.5 | -71.7 | 165.4 | 0 | 0 | 0 | 111.3 | H467 K475 | H467-L471 HydrophobicContact CB-CD1 3.8Å; H467-L471 HydrophobicContact CB-CG 3.92Å; H467-L471 VanDerWaalsContact O-CD1 3.27Å; H467-L471 WeakPolarHBondContact O-CD1 3.37Å; H467-L471 VanDerWaalsContact O-CG 3.23Å; H467-L471 WeakPolarHBondContact O-CG 3.28Å; H467-L471 PolarHBondContact O-N 3.25Å; L471-K475 HydrophobicContact CB-CB 4.19Å; L471-K475 HydrophobicContact CD1-CB 4.36Å; L471-K475 HydrophobicContact CD2-CB 3.4Å; L471-K475 HydrophobicContact CD2-CD 3.25Å; L471-K475 HydrophobicContact CD2-CG 3.93Å; L471-K475 HydrophobicContact CG-CB 4.18Å | ||
| 472 | G | 50.6 | Low | 53 | Low | 55 Ų | 55 | 102.8 Ų | 102.8 | 57% | 0.567 | 51% | 0.509 | S | S | * | . | trans | -51.4 | 161.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T470 D474 K475 | T470-G472 PolarHBondContact O-N 3.31Å; G472-D474 PolarHBondContact O-N 3.13Å; G472-K475 PolarHBondContact O-N 3.17Å; G472-K475 VanDerWaalsContact O-N 3.13Å | ||
| 473 | R | 52.5 | Low | 54.2 | Low | 226 Ų | 226 | 103.7 Ų | 103.7 | 85% | 0.853 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -42.9 | -36 | -170.5 | -114.7 | 178.1 | 178 | 171.6 | -0.8 | 114.8 | K475 R476 | R473-K475 PolarHBondContact O-N 3.31Å; R473-R476 PolarHBondContact O-N 3.26Å |
| 474 | D | 52 | Low | 55.7 | Low | 148 Ų | 148 | 101.2 Ų | 101.2 | 79% | 0.791 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -72.3 | -20.7 | -171.6 | -56.9 | -23.6 | 0 | 0 | 0 | 115.1 | G472 | G472-D474 PolarHBondContact O-N 3.13Å |
| 475 | K | 52.8 | Low | 57.3 | Low | 132 Ų | 132 | 98.8 Ų | 98.8 | 57% | 0.574 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -105.7 | -0.9 | 177.8 | -68.9 | -174.9 | 175.7 | -178.8 | 0 | 114 | L471 G472 R473 S479 | L471-K475 HydrophobicContact CB-CB 4.19Å; L471-K475 HydrophobicContact CD1-CB 4.36Å; L471-K475 HydrophobicContact CD2-CB 3.4Å; L471-K475 HydrophobicContact CD2-CD 3.25Å; L471-K475 HydrophobicContact CD2-CG 3.93Å; L471-K475 HydrophobicContact CG-CB 4.18Å; G472-K475 PolarHBondContact O-N 3.17Å; G472-K475 VanDerWaalsContact O-N 3.13Å; R473-K475 PolarHBondContact O-N 3.31Å; K475-S479 PolarHBondContact O-OG 3.42Å |
| 476 | R | 60 | Low | 59.1 | Low | 169 Ų | 169 | 92.8 Ų | 92.8 | 64% | 0.638 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -78.1 | -32.3 | 178.3 | -145.9 | 179.7 | -168.5 | -172.7 | 5 | 112.8 | R473 S479 M480 | R473-R476 PolarHBondContact O-N 3.26Å; R476-S479 PolarHBondContact O-OG 3.27Å; R476-M480 WeakPolarHBondContact O-CG 3.38Å; R476-M480 PolarHBondContact O-N 3.02Å |
| 477 | Q | 60.4 | Low | 61.2 | Low | 119 Ų | 119 | 88 Ų | 88 | 56% | 0.556 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.9 | -47.2 | 177.6 | -88.9 | 178.3 | -24.4 | 0 | 0 | 113.7 | S479 M480 M481 | Q477-S479 PolarHBondContact O-N 2.74Å; Q477-M480 PolarHBondContact O-N 2.88Å; Q477-M481 PolarHBondContact O-N 3.31Å; Q477-M481 VanDerWaalsContact O-N 3.09Å |
| 478 | P | 57.6 | Low | 63.1 | Low | 27 Ų | 27 | 85 Ų | 85 | 18% | 0.175 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.5 | -43 | 177.4 | -24.6 | 32 | 0 | 0 | 0 | 113.9 | I400 M481 H482 | I400-P478 HydrophobicContact CD1-CB 4.04Å; I400-P478 HydrophobicContact CD1-CG 4.34Å; I400-P478 HydrophobicContact CG1-CB 3.84Å; I400-P478 HydrophobicContact CG1-CG 3.99Å; I400-P478 HydrophobicContact CG2-CB 4.17Å; P478-M481 PolarHBondContact O-N 3.5Å; P478-H482 PolarHBondContact O-CD2 3.49Å; P478-H482 PolarHBondContact O-N 2.92Å |
| 479 | S | 63.6 | Low | 64.9 | Low | 26 Ų | 26 | 79.6 Ų | 79.6 | 18% | 0.182 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.9 | -40 | -179.2 | 44.7 | 0 | 0 | 0 | 0 | 112.3 | K475 R476 Q477 M481 F483 | K475-S479 PolarHBondContact O-OG 3.42Å; R476-S479 PolarHBondContact O-OG 3.27Å; Q477-S479 PolarHBondContact O-N 2.74Å; S479-M481 VanDerWaalsContact C-N 3.34Å; S479-F483 WeakPolarHBondContact O-CB 3.25Å; S479-F483 PolarHBondContact O-N 2.97Å |
| 480 | M | 69.6 | Low | 67.1 | Low | 134 Ų | 134 | 75.8 Ų | 75.8 | 66% | 0.66 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63 | -38.5 | 173 | -72.1 | -97.9 | -72.1 | 0 | 0 | 112.2 | R476 Q477 F483 A484 | R476-M480 WeakPolarHBondContact O-CG 3.38Å; R476-M480 PolarHBondContact O-N 3.02Å; Q477-M480 PolarHBondContact O-N 2.88Å; M480-F483 PolarHBondContact O-N 3.37Å; M480-A484 WeakPolarHBondContact O-CB 3.33Å; M480-A484 PolarHBondContact O-N 3.47Å |
| 481 | M | 70.6 | Confident | 69.1 | Low | 41 Ų | 41 | 74.7 Ų | 74.7 | 20% | 0.202 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.9 | -45.4 | 177.3 | -74.6 | -63 | 178.8 | 0 | 0 | 112.3 | C393 Y394 M397 I400 Q477 P478 S479 F483 A484 E485 | C393-M481 HydrophobicContact CB-CE 4.02Å; Y394-M481 HydrophobicContact CE2-CB 4.09Å; M397-M481 HydrophobicContact CE-CE 3.76Å; M397-M481 HydrophobicContact SD-CE 4.32Å; M397-M481 HydrophobicContact SD-CG 4.45Å; I400-M481 HydrophobicContact CD1-CB 4.35Å; Q477-M481 PolarHBondContact O-N 3.31Å; Q477-M481 VanDerWaalsContact O-N 3.09Å; P478-M481 PolarHBondContact O-N 3.5Å; S479-M481 VanDerWaalsContact C-N 3.34Å; M481-F483 VanDerWaalsContact C-N 3.26Å; M481-F483 PolarHBondContact O-N 3.16Å; M481-A484 PolarHBondContact O-N 2.99Å; M481-E485 WeakPolarHBondContact O-CB 3.49Å; M481-E485 PolarHBondContact O-N 3.32Å |
| 482 | H | 70.5 | Confident | 71.3 | Confident | 24 Ų | 24 | 73 Ų | 73 | 11% | 0.111 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.9 | -37.2 | 173.3 | -71.3 | -58.2 | 0 | 0 | 0 | 112.2 | Y394 I400 Y401 Y455 P478 E485 A486 | Y394-H482 PolarHBondContact OH-CE1 3.48Å; Y394-H482 VanDerWaalsContact OH-CE1 3.29Å; Y394-H482 PolarHBondContact OH-ND1 2.87Å; I400-H482 WeakPolarHBondContact CG2-NE2 3.46Å; Y401-H482 PolarHBondContact O-CE1 2.87Å; Y455-H482 HydrophobicContact CD2-CB 4.16Å; Y455-H482 HydrophobicContact CE2-CB 3.86Å; Y455-H482 WeakPolarHBondContact CE2-O 3.2Å; P478-H482 PolarHBondContact O-CD2 3.49Å; P478-H482 PolarHBondContact O-N 2.92Å; H482-E485 IonicContact ND1-OE2 3.74Å; H482-A486 WeakPolarHBondContact O-CB 3.16Å; H482-A486 PolarHBondContact O-N 2.76Å |
| 483 | F | 76.1 | Confident | 73.2 | Confident | 136 Ų | 136 | 72.2 Ų | 72.2 | 60% | 0.596 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.8 | -43.6 | 174.5 | -179.5 | -97.1 | 0 | 0 | 0 | 112.4 | S479 M480 M481 E485 A486 G487 | S479-F483 WeakPolarHBondContact O-CB 3.25Å; S479-F483 PolarHBondContact O-N 2.97Å; M480-F483 PolarHBondContact O-N 3.37Å; M481-F483 VanDerWaalsContact C-N 3.26Å; M481-F483 PolarHBondContact O-N 3.16Å; F483-E485 VanDerWaalsContact C-N 3.27Å; F483-E485 PolarHBondContact O-N 3.42Å; F483-A486 PolarHBondContact O-N 3.3Å; F483-G487 PolarHBondContact O-N 3.42Å |
| 484 | A | 79.4 | Confident | 75.1 | Confident | 43 Ų | 43 | 64.7 Ų | 64.7 | 36% | 0.355 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I390 M480 M481 G487 L488 | I390-A484 HydrophobicContact CD1-CB 4.48Å; M480-A484 WeakPolarHBondContact O-CB 3.33Å; M480-A484 PolarHBondContact O-N 3.47Å; M481-A484 PolarHBondContact O-N 2.99Å; A484-G487 PolarHBondContact O-N 3.16Å; A484-L488 WeakPolarHBondContact O-CB 3.49Å; A484-L488 PolarHBondContact O-N 3.29Å |
| 485 | E | 75.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.1 | -47.2 | 176.1 | -167.9 | 172.1 | -174.9 | 0 | 0 | 112 | Y394 L404 V405 T408 M481 H482 F483 G487 L488 S489 | Y394-E485 VanDerWaalsContact CE2-OE2 3.29Å; Y394-E485 WeakPolarHBondContact CE2-OE2 3.33Å; Y394-E485 PolarHBondContact OH-OE2 2.85Å; L404-E485 WeakPolarHBondContact CB-OE1 3.27Å; L404-E485 WeakPolarHBondContact CB-OE2 3.42Å; L404-E485 HydrophobicContact CD2-CG 4.13Å; L404-E485 VanDerWaalsContact O-OE1 3.08Å; V405-E485 WeakPolarHBondContact CA-OE1 3.24Å; V405-E485 PolarHBondContact N-OE1 3.11Å; V405-E485 VanDerWaalsContact N-OE1 3.08Å; T408-E485 HydrophobicContact CG2-CG 3.47Å; T408-E485 VanDerWaalsContact CG2-CG 3.47Å; T408-E485 WeakPolarHBondContact CG2-OE1 3.49Å; M481-E485 WeakPolarHBondContact O-CB 3.49Å; M481-E485 PolarHBondContact O-N 3.32Å; H482-E485 IonicContact ND1-OE2 3.74Å; F483-E485 VanDerWaalsContact C-N 3.27Å; F483-E485 PolarHBondContact O-N 3.42Å; E485-G487 VanDerWaalsContact C-N 3.31Å; E485-G487 PolarHBondContact O-N 2.89Å; E485-L488 PolarHBondContact O-N 3.06Å; E485-L488 VanDerWaalsContact O-N 3.12Å; E485-S489 PolarHBondContact O-N 3.33Å; E485-S489 PolarHBondContact O-OG 3.24Å |
| 486 | A | 79.8 | Confident | 78.9 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 6% | 0.058 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L452 Y455 H482 F483 L488 S489 F490 | L452-A486 HydrophobicContact CD2-CB 4.41Å; L452-A486 VanDerWaalsContact CD2-O 3.31Å; L452-A486 WeakPolarHBondContact CD2-O 3.49Å; Y455-A486 HydrophobicContact CD1-CB 3.59Å; Y455-A486 HydrophobicContact CD2-CB 3.74Å; Y455-A486 HydrophobicContact CE1-CB 3.86Å; Y455-A486 HydrophobicContact CE2-CB 4.01Å; Y455-A486 HydrophobicContact CG-CB 3.53Å; H482-A486 WeakPolarHBondContact O-CB 3.16Å; H482-A486 PolarHBondContact O-N 2.76Å; F483-A486 PolarHBondContact O-N 3.3Å; A486-L488 VanDerWaalsContact C-N 3.34Å; A486-L488 PolarHBondContact O-N 2.95Å; A486-S489 PolarHBondContact O-N 3.33Å; A486-F490 WeakPolarHBondContact O-CB 3.22Å; A486-F490 PolarHBondContact O-N 3.45Å |
| 487 | G | 85.6 | Confident | 80.4 | Confident | 32 Ų | 32 | 49.9 Ų | 49.9 | 33% | 0.33 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F483 A484 E485 F490 V491 | F483-G487 PolarHBondContact O-N 3.42Å; A484-G487 PolarHBondContact O-N 3.16Å; E485-G487 VanDerWaalsContact C-N 3.31Å; E485-G487 PolarHBondContact O-N 2.89Å; G487-F490 PolarHBondContact O-N 3.49Å; G487-V491 WeakPolarHBondContact O-CG2 3.5Å; G487-V491 PolarHBondContact O-N 2.89Å |
| 488 | L | 86.6 | Confident | 82 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 12% | 0.115 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 178.5 | -167.3 | 66 | 0 | 0 | 0 | 112.4 | L383 C386 H387 I390 A484 E485 A486 V491 S492 | L383-L488 HydrophobicContact CD2-CD1 3.83Å; C386-L488 HydrophobicContact CB-CD1 3.83Å; C386-L488 HydrophobicContact CB-CD2 3.98Å; H387-L488 HydrophobicContact CB-CD2 4.15Å; H387-L488 VanDerWaalsContact CE1-CD2 3.49Å; H387-L488 WeakPolarHBondContact CE1-CD2 3.16Å; H387-L488 VanDerWaalsContact CG-CD2 3.44Å; H387-L488 WeakPolarHBondContact ND1-CD2 3.36Å; I390-L488 HydrophobicContact CD1-CB 4.26Å; I390-L488 HydrophobicContact CD1-CD2 3.63Å; A484-L488 WeakPolarHBondContact O-CB 3.49Å; A484-L488 PolarHBondContact O-N 3.29Å; E485-L488 PolarHBondContact O-N 3.06Å; E485-L488 VanDerWaalsContact O-N 3.12Å; A486-L488 VanDerWaalsContact C-N 3.34Å; A486-L488 PolarHBondContact O-N 2.95Å; L488-V491 PolarHBondContact O-N 3.05Å; L488-S492 VanDerWaalsContact O-CB 3.27Å; L488-S492 WeakPolarHBondContact O-CB 3.35Å; L488-S492 PolarHBondContact O-N 2.91Å; L488-S492 PolarHBondContact O-OG 2.81Å |
| 489 | S | 84.3 | Confident | 83.6 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 172 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | A451 E485 A486 S492 L493 | A451-S489 WeakPolarHBondContact CB-OG 3.35Å; E485-S489 PolarHBondContact O-N 3.33Å; E485-S489 PolarHBondContact O-OG 3.24Å; A486-S489 PolarHBondContact O-N 3.33Å; S489-S492 PolarHBondContact O-N 3.33Å; S489-L493 WeakPolarHBondContact O-CB 3.48Å; S489-L493 PolarHBondContact O-N 3.14Å |
| 490 | F | 89.6 | Confident | 84.8 | Confident | 118 Ų | 118 | 46.2 Ų | 46.2 | 52% | 0.518 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 175.3 | -177.8 | -100.2 | 0 | 0 | 0 | 112.1 | L452 A486 G487 S492 L493 V494 | L452-F490 HydrophobicContact CD1-CB 4.39Å; L452-F490 HydrophobicContact CD1-CD2 4.25Å; L452-F490 HydrophobicContact CD2-CB 4.06Å; A486-F490 WeakPolarHBondContact O-CB 3.22Å; A486-F490 PolarHBondContact O-N 3.45Å; G487-F490 PolarHBondContact O-N 3.49Å; F490-S492 VanDerWaalsContact C-N 3.3Å; F490-S492 PolarHBondContact O-N 3.38Å; F490-L493 WeakPolarHBondContact O-CB 3.32Å; F490-L493 PolarHBondContact O-N 3.34Å; F490-V494 HydrophobicContact CD1-CG2 4.36Å; F490-V494 HydrophobicContact CE1-CG2 3.94Å; F490-V494 HydrophobicContact CE2-CG2 4.34Å; F490-V494 HydrophobicContact CZ-CG2 3.93Å; F490-V494 WeakPolarHBondContact O-CG2 3.3Å; F490-V494 PolarHBondContact O-N 2.88Å |
| 491 | V | 91.2 | Very high | 85.7 | Confident | 72 Ų | 72 | 46 Ų | 46 | 44% | 0.436 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 176.5 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | L383 G487 L488 L493 V494 V495 | L383-V491 HydrophobicContact CD2-CG1 4.06Å; G487-V491 WeakPolarHBondContact O-CG2 3.5Å; G487-V491 PolarHBondContact O-N 2.89Å; L488-V491 PolarHBondContact O-N 3.05Å; V491-L493 VanDerWaalsContact C-N 3.31Å; V491-L493 PolarHBondContact O-N 3.03Å; V491-V494 PolarHBondContact O-N 2.87Å; V491-V495 HydrophobicContact CG1-CG2 4.16Å; V491-V495 WeakPolarHBondContact O-CB 3.39Å; V491-V495 VanDerWaalsContact O-CG2 3.26Å; V491-V495 WeakPolarHBondContact O-CG2 3.38Å; V491-V495 PolarHBondContact O-N 2.7Å |
| 492 | S | 89.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.2 | -38 | 177.7 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | H387 L488 S489 F490 S496 | H387-S492 PolarHBondContact NE2-OG 3Å; L488-S492 VanDerWaalsContact O-CB 3.27Å; L488-S492 WeakPolarHBondContact O-CB 3.35Å; L488-S492 PolarHBondContact O-N 2.91Å; L488-S492 PolarHBondContact O-OG 2.81Å; S489-S492 PolarHBondContact O-N 3.33Å; F490-S492 VanDerWaalsContact C-N 3.3Å; F490-S492 PolarHBondContact O-N 3.38Å; S492-S496 WeakPolarHBondContact O-CB 3.46Å; S492-S496 PolarHBondContact O-N 3.06Å; S492-S496 PolarHBondContact O-OG 3.44Å |
| 493 | L | 90 | Very high | 87.4 | Confident | 39 Ų | 39 | 44.3 Ų | 44.3 | 20% | 0.204 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.9 | -50.8 | 174.7 | -176.6 | 70.1 | 0 | 0 | 0 | 111.4 | M445 A449 L452 S489 F490 V491 S496 L497 | M445-L493 HydrophobicContact CB-CD1 4.39Å; M445-L493 HydrophobicContact CG-CD1 3.51Å; M445-L493 VanDerWaalsContact O-CD1 3.32Å; M445-L493 WeakPolarHBondContact O-CD1 3.42Å; A449-L493 HydrophobicContact CB-CD1 4.03Å; L452-L493 HydrophobicContact CD1-CD2 3.79Å; S489-L493 WeakPolarHBondContact O-CB 3.48Å; S489-L493 PolarHBondContact O-N 3.14Å; F490-L493 WeakPolarHBondContact O-CB 3.32Å; F490-L493 PolarHBondContact O-N 3.34Å; V491-L493 VanDerWaalsContact C-N 3.31Å; V491-L493 PolarHBondContact O-N 3.03Å; L493-S496 PolarHBondContact O-N 2.74Å; L493-L497 WeakPolarHBondContact O-CB 3.42Å; L493-L497 PolarHBondContact O-N 3.08Å |
| 494 | V | 92.9 | Very high | 87.7 | Confident | 69 Ų | 69 | 39.8 Ų | 39.8 | 42% | 0.418 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.9 | -47.1 | -179.1 | 173.8 | 0 | 0 | 0 | 0 | 111 | F490 V491 S496 L497 V498 | F490-V494 HydrophobicContact CD1-CG2 4.36Å; F490-V494 HydrophobicContact CE1-CG2 3.94Å; F490-V494 HydrophobicContact CE2-CG2 4.34Å; F490-V494 HydrophobicContact CZ-CG2 3.93Å; F490-V494 WeakPolarHBondContact O-CG2 3.3Å; F490-V494 PolarHBondContact O-N 2.88Å; V491-V494 PolarHBondContact O-N 2.87Å; V494-S496 VanDerWaalsContact C-N 3.27Å; V494-S496 PolarHBondContact O-N 2.76Å; V494-L497 PolarHBondContact O-N 3.21Å; V494-V498 WeakPolarHBondContact O-CG2 3.39Å; V494-V498 PolarHBondContact O-N 2.87Å |
| 495 | V | 92.6 | Very high | 87.8 | Confident | 31 Ų | 31 | 45 Ų | 45 | 19% | 0.188 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60 | -40.8 | 176.9 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | I379 Y380 L383 V491 T499 | I379-V495 HydrophobicContact CG2-CG1 3.83Å; I379-V495 HydrophobicContact CG2-CG2 4.22Å; Y380-V495 HydrophobicContact CE2-CG1 4.08Å; L383-V495 HydrophobicContact CD1-CB 4.25Å; L383-V495 HydrophobicContact CD1-CG1 4.12Å; L383-V495 HydrophobicContact CD1-CG2 4.35Å; V491-V495 HydrophobicContact CG1-CG2 4.16Å; V491-V495 WeakPolarHBondContact O-CB 3.39Å; V491-V495 VanDerWaalsContact O-CG2 3.26Å; V491-V495 WeakPolarHBondContact O-CG2 3.38Å; V491-V495 PolarHBondContact O-N 2.7Å; V495-T499 VanDerWaalsContact O-CB 3.23Å; V495-T499 WeakPolarHBondContact O-CB 3.42Å; V495-T499 PolarHBondContact O-N 2.92Å; V495-T499 PolarHBondContact O-OG1 2.94Å |
| 496 | S | 91.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.3 | -38.7 | 178.2 | -60.4 | 0 | 0 | 0 | 0 | 113.3 | Y380 V441 S492 L493 V494 T499 A500 | Y380-S496 WeakPolarHBondContact OH-CA 3.42Å; Y380-S496 PolarHBondContact OH-OG 3.09Å; Y380-S496 VanDerWaalsContact OH-OG 3.09Å; V441-S496 WeakPolarHBondContact CG1-O 3.45Å; S492-S496 WeakPolarHBondContact O-CB 3.46Å; S492-S496 PolarHBondContact O-N 3.06Å; S492-S496 PolarHBondContact O-OG 3.44Å; L493-S496 PolarHBondContact O-N 2.74Å; V494-S496 VanDerWaalsContact C-N 3.27Å; V494-S496 PolarHBondContact O-N 2.76Å; S496-T499 PolarHBondContact O-N 3.35Å; S496-A500 VanDerWaalsContact O-CB 3.28Å; S496-A500 WeakPolarHBondContact O-CB 3.39Å; S496-A500 PolarHBondContact O-N 3.46Å |
| 497 | L | 91.6 | Very high | 87.9 | Confident | 107 Ų | 107 | 45.1 Ų | 45.1 | 56% | 0.56 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -63.3 | -47.6 | 175.9 | -166.5 | 113.5 | 0 | 0 | 0 | 111.6 | M445 L493 V494 A500 F501 | M445-L497 HydrophobicContact SD-CB 4.49Å; M445-L497 HydrophobicContact SD-CD1 3.99Å; L493-L497 WeakPolarHBondContact O-CB 3.42Å; L493-L497 PolarHBondContact O-N 3.08Å; V494-L497 PolarHBondContact O-N 3.21Å; L497-A500 PolarHBondContact O-N 3.4Å; L497-F501 PolarHBondContact O-N 2.81Å |
| 498 | V | 92.4 | Very high | 87.3 | Confident | 83 Ų | 83 | 45.5 Ų | 45.5 | 50% | 0.503 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.5 | -44.8 | 177.5 | 175 | 0 | 0 | 0 | 0 | 110.7 | V494 F501 V502 | V494-V498 WeakPolarHBondContact O-CG2 3.39Å; V494-V498 PolarHBondContact O-N 2.87Å; V498-F501 PolarHBondContact O-N 2.86Å; V498-V502 WeakPolarHBondContact O-CG2 3.35Å; V498-V502 PolarHBondContact O-N 2.82Å; V498-V502 VanDerWaalsContact O-N 3.08Å |
| 499 | T | 92.1 | Very high | 86.7 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.2 | -45.5 | 178.7 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | I376 Y380 V441 V495 S496 F501 V502 L503 | I376-T499 HydrophobicContact CD1-CG2 4.42Å; I376-T499 HydrophobicContact CG2-CG2 3.7Å; Y380-T499 HydrophobicContact CE2-CG2 3.84Å; Y380-T499 WeakPolarHBondContact CE2-OG1 3.38Å; V441-T499 HydrophobicContact CG1-CG2 4.29Å; V441-T499 HydrophobicContact CG2-CG2 3.74Å; V495-T499 VanDerWaalsContact O-CB 3.23Å; V495-T499 WeakPolarHBondContact O-CB 3.42Å; V495-T499 PolarHBondContact O-N 2.92Å; V495-T499 PolarHBondContact O-OG1 2.94Å; S496-T499 PolarHBondContact O-N 3.35Å; T499-F501 VanDerWaalsContact C-N 3.29Å; T499-F501 PolarHBondContact O-N 3.49Å; T499-V502 PolarHBondContact O-N 3.1Å; T499-V502 VanDerWaalsContact O-N 3.14Å; T499-L503 HydrophobicContact CG2-CD1 3.72Å; T499-L503 HydrophobicContact CG2-CG 3.91Å; T499-L503 VanDerWaalsContact O-CG 3.29Å; T499-L503 WeakPolarHBondContact O-CG 3.36Å; T499-L503 PolarHBondContact O-N 3.49Å |
| 500 | A | 88.6 | Confident | 86 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 6% | 0.058 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.4 | -46.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V441 L442 S496 L497 V502 L503 F504 | V441-A500 HydrophobicContact CG1-CB 3.83Å; L442-A500 HydrophobicContact CD2-CB 4.08Å; S496-A500 VanDerWaalsContact O-CB 3.28Å; S496-A500 WeakPolarHBondContact O-CB 3.39Å; S496-A500 PolarHBondContact O-N 3.46Å; L497-A500 PolarHBondContact O-N 3.4Å; A500-V502 PolarHBondContact O-N 3.49Å; A500-L503 PolarHBondContact O-N 2.98Å; A500-F504 WeakPolarHBondContact O-CB 3.32Å; A500-F504 WeakPolarHBondContact O-CD2 3.42Å; A500-F504 PolarHBondContact O-N 3.46Å |
| 501 | F | 88.7 | Confident | 84.7 | Confident | 131 Ų | 131 | 44.5 Ų | 44.5 | 58% | 0.575 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -59.7 | -46.3 | 177.7 | -174.3 | -93.5 | 0 | 0 | 0 | 112.4 | L497 V498 T499 R505 | L497-F501 PolarHBondContact O-N 2.81Å; V498-F501 PolarHBondContact O-N 2.86Å; T499-F501 VanDerWaalsContact C-N 3.29Å; T499-F501 PolarHBondContact O-N 3.49Å; F501-R505 HydrophobicContact CD1-CG 4.23Å; F501-R505 HydrophobicContact CE1-CG 3.91Å; F501-R505 HydrophobicContact CZ-CG 4.23Å; F501-R505 WeakPolarHBondContact O-CB 3.33Å; F501-R505 WeakPolarHBondContact O-CG 3.01Å; F501-R505 PolarHBondContact O-N 2.97Å |
| 502 | V | 88.6 | Confident | 83.1 | Confident | 29 Ų | 29 | 42.9 Ų | 42.9 | 18% | 0.176 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.1 | -48.4 | 177.3 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | L372 I376 V498 T499 A500 R505 V506 | L372-V502 HydrophobicContact CD2-CG1 3.88Å; L372-V502 HydrophobicContact CD2-CG2 4.34Å; I376-V502 HydrophobicContact CD1-CG1 4.28Å; V498-V502 WeakPolarHBondContact O-CG2 3.35Å; V498-V502 PolarHBondContact O-N 2.82Å; V498-V502 VanDerWaalsContact O-N 3.08Å; T499-V502 PolarHBondContact O-N 3.1Å; T499-V502 VanDerWaalsContact O-N 3.14Å; A500-V502 PolarHBondContact O-N 3.49Å; V502-R505 WeakPolarHBondContact O-CB 3.32Å; V502-R505 PolarHBondContact O-N 2.84Å; V502-V506 HydrophobicContact CG1-CG2 4.4Å; V502-V506 WeakPolarHBondContact O-CG2 3.35Å; V502-V506 PolarHBondContact O-N 2.7Å |
| 503 | L | 88.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -44.3 | -179.4 | -64.9 | 179.6 | 0 | 0 | 0 | 111.8 | L373 L422 L434 S437 V441 T499 A500 R505 V506 M507 | L373-L503 HydrophobicContact CD2-CD2 3.72Å; L422-L503 HydrophobicContact CD2-CD2 3.88Å; L434-L503 HydrophobicContact CD1-CD2 3.61Å; S437-L503 WeakPolarHBondContact OG-CD1 3.49Å; V441-L503 HydrophobicContact CG2-CD1 3.87Å; T499-L503 HydrophobicContact CG2-CD1 3.72Å; T499-L503 HydrophobicContact CG2-CG 3.91Å; T499-L503 VanDerWaalsContact O-CG 3.29Å; T499-L503 WeakPolarHBondContact O-CG 3.36Å; T499-L503 PolarHBondContact O-N 3.49Å; A500-L503 PolarHBondContact O-N 2.98Å; L503-R505 VanDerWaalsContact C-N 3.31Å; L503-R505 PolarHBondContact O-N 3.03Å; L503-V506 PolarHBondContact O-N 3.34Å; L503-M507 WeakPolarHBondContact O-CB 3.42Å; L503-M507 VanDerWaalsContact O-CG 3.3Å; L503-M507 WeakPolarHBondContact O-CG 3.37Å; L503-M507 PolarHBondContact O-N 2.88Å |
| 504 | F | 83.2 | Confident | 80.4 | Confident | 40 Ų | 40 | 51.1 Ų | 51.1 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.8 | -44.5 | 173.1 | -85.6 | -65.4 | 0 | 0 | 0 | 111.5 | T438 L442 A500 M507 H508 | T438-F504 HydrophobicContact CG2-CD2 4.39Å; T438-F504 HydrophobicContact CG2-CE1 4.35Å; T438-F504 HydrophobicContact CG2-CE2 3.98Å; T438-F504 HydrophobicContact CG2-CZ 3.95Å; L442-F504 HydrophobicContact CD1-CE2 4.25Å; L442-F504 HydrophobicContact CD1-CZ 4.13Å; L442-F504 HydrophobicContact CD2-CE2 4.19Å; A500-F504 WeakPolarHBondContact O-CB 3.32Å; A500-F504 WeakPolarHBondContact O-CD2 3.42Å; A500-F504 PolarHBondContact O-N 3.46Å; F504-M507 HydrophobicContact CB-CE 4.49Å; F504-M507 HydrophobicContact CD1-CE 3.43Å; F504-M507 VanDerWaalsContact CD1-CE 3.43Å; F504-M507 HydrophobicContact CE1-CE 3.78Å; F504-M507 HydrophobicContact CG-CE 4.06Å; F504-M507 PolarHBondContact O-N 3.35Å; F504-H508 WeakPolarHBondContact O-CB 3.34Å; F504-H508 PolarHBondContact O-CD2 3.31Å; F504-H508 PolarHBondContact O-N 3.44Å |
| 505 | R | 81.8 | Confident | 78.7 | Confident | 153 Ų | 153 | 52.2 Ų | 52.2 | 58% | 0.577 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.6 | -45.9 | 176.4 | -76.7 | -63.4 | -163.2 | 176.7 | 4.5 | 112.6 | F501 V502 L503 H508 I509 | F501-R505 HydrophobicContact CD1-CG 4.23Å; F501-R505 HydrophobicContact CE1-CG 3.91Å; F501-R505 HydrophobicContact CZ-CG 4.23Å; F501-R505 WeakPolarHBondContact O-CB 3.33Å; F501-R505 WeakPolarHBondContact O-CG 3.01Å; F501-R505 PolarHBondContact O-N 2.97Å; V502-R505 WeakPolarHBondContact O-CB 3.32Å; V502-R505 PolarHBondContact O-N 2.84Å; L503-R505 VanDerWaalsContact C-N 3.31Å; L503-R505 PolarHBondContact O-N 3.03Å; R505-H508 PolarHBondContact O-N 3.44Å; R505-I509 VanDerWaalsContact O-CG1 3.3Å; R505-I509 WeakPolarHBondContact O-CG1 3.33Å; R505-I509 PolarHBondContact O-N 3.42Å |
| 506 | V | 80.2 | Confident | 77.1 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 6% | 0.055 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.3 | -48.6 | 177.2 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | L365 V369 L434 V502 L503 H508 I509 Q510 | L365-V506 HydrophobicContact CD1-CG1 3.76Å; L365-V506 HydrophobicContact CD2-CG1 4.25Å; V369-V506 HydrophobicContact CG1-CG2 3.83Å; L434-V506 HydrophobicContact CD2-CB 4.43Å; L434-V506 HydrophobicContact CD2-CG1 3.77Å; V502-V506 HydrophobicContact CG1-CG2 4.4Å; V502-V506 WeakPolarHBondContact O-CG2 3.35Å; V502-V506 PolarHBondContact O-N 2.7Å; L503-V506 PolarHBondContact O-N 3.34Å; V506-H508 VanDerWaalsContact C-N 3.33Å; V506-H508 PolarHBondContact O-N 2.95Å; V506-I509 PolarHBondContact O-N 3.27Å; V506-Q510 WeakPolarHBondContact O-CB 3.39Å; V506-Q510 WeakPolarHBondContact O-CG 3.13Å; V506-Q510 PolarHBondContact O-N 2.91Å |
| 507 | M | 76.6 | Confident | 75.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 176.7 | -72.7 | -170.1 | -52.1 | 0 | 0 | 112.5 | L434 T438 L503 F504 Q510 S511 F591 V595 | L434-M507 HydrophobicContact CD2-CB 4.45Å; L434-M507 HydrophobicContact CD2-CG 3.45Å; L434-M507 VanDerWaalsContact CD2-CG 3.45Å; L434-M507 HydrophobicContact CG-CG 3.86Å; T438-M507 HydrophobicContact CG2-CE 3.87Å; L503-M507 WeakPolarHBondContact O-CB 3.42Å; L503-M507 VanDerWaalsContact O-CG 3.3Å; L503-M507 WeakPolarHBondContact O-CG 3.37Å; L503-M507 PolarHBondContact O-N 2.88Å; F504-M507 HydrophobicContact CB-CE 4.49Å; F504-M507 HydrophobicContact CD1-CE 3.43Å; F504-M507 VanDerWaalsContact CD1-CE 3.43Å; F504-M507 HydrophobicContact CE1-CE 3.78Å; F504-M507 HydrophobicContact CG-CE 4.06Å; F504-M507 PolarHBondContact O-N 3.35Å; M507-Q510 CarbonylContact O-C 3.6Å; M507-Q510 PolarHBondContact O-N 2.96Å; M507-S511 WeakPolarHBondContact O-CB 3.33Å; M507-S511 PolarHBondContact O-N 2.99Å; M507-F591 HydrophobicContact CB-CB 4.18Å; M507-F591 HydrophobicContact CB-CD1 4.23Å; M507-F591 HydrophobicContact CB-CG 4.33Å; M507-F591 HydrophobicContact CG-CD1 3.75Å; M507-F591 HydrophobicContact CG-CE1 3.99Å; M507-F591 HydrophobicContact CG-CG 4.34Å; M507-F591 HydrophobicContact SD-CB 4.36Å; M507-F591 HydrophobicContact SD-CD1 3.62Å; M507-F591 HydrophobicContact SD-CE1 4.19Å; M507-F591 HydrophobicContact SD-CG 4.42Å; M507-V595 HydrophobicContact CE-CG2 3.99Å; M507-V595 HydrophobicContact SD-CG2 3.8Å |
| 508 | H | 73.8 | Confident | 74.4 | Confident | 40 Ų | 40 | 60 Ų | 60 | 19% | 0.185 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 177.3 | -96.9 | -92.5 | 0 | 0 | 0 | 112.1 | F504 R505 V506 Q510 S511 H580 F589 | F504-H508 WeakPolarHBondContact O-CB 3.34Å; F504-H508 PolarHBondContact O-CD2 3.31Å; F504-H508 PolarHBondContact O-N 3.44Å; R505-H508 PolarHBondContact O-N 3.44Å; V506-H508 VanDerWaalsContact C-N 3.33Å; V506-H508 PolarHBondContact O-N 2.95Å; H508-Q510 VanDerWaalsContact C-N 3.28Å; H508-Q510 PolarHBondContact O-N 3.23Å; H508-S511 PolarHBondContact O-N 3Å; H508-H580 AromaticContact NE2-NE2 3.54Å; H508-F589 AromaticContact CE1-CD2 3.04Å; H508-F589 WeakPolarHBondContact CE1-CD2 3.14Å; H508-F589 AromaticContact CE1-CE2 3.07Å; H508-F589 WeakPolarHBondContact CE1-CE2 3.45Å; H508-F589 AromaticContact CE1-CG 3.94Å; H508-F589 AromaticContact CE1-CZ 3.94Å; H508-F589 AromaticContact ND1-CD2 3.09Å; H508-F589 WeakPolarHBondContact ND1-CD2 3.48Å; H508-F589 AromaticContact ND1-CE1 3.82Å; H508-F589 AromaticContact ND1-CE2 2.86Å; H508-F589 WeakPolarHBondContact ND1-CE2 3.49Å; H508-F589 AromaticContact ND1-CG 3.7Å; H508-F589 AromaticContact ND1-CZ 3.24Å; H508-F589 WeakPolarHBondContact ND1-CZ 3.44Å; H508-F589 WeakPolarHBondContact O-CE1 3.39Å |
| 509 | I | 73.2 | Confident | 73.1 | Confident | 101 Ų | 101 | 59 Ų | 59 | 52% | 0.518 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 176.9 | -67.6 | 163.7 | 0 | 0 | 0 | 110.4 | V363 R505 V506 | V363-I509 HydrophobicContact CG1-CG2 4.22Å; R505-I509 VanDerWaalsContact O-CG1 3.3Å; R505-I509 WeakPolarHBondContact O-CG1 3.33Å; R505-I509 PolarHBondContact O-N 3.42Å; V506-I509 PolarHBondContact O-N 3.27Å |
| 510 | Q | 68.6 | Low | 72.3 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -85.9 | -2.2 | 179.7 | -67.4 | -171.4 | -39.9 | 0 | 0 | 113.8 | P359 Y425 V506 M507 H508 | P359-Q510 WeakPolarHBondContact CB-O 3.31Å; P359-Q510 WeakPolarHBondContact CD-O 3.44Å; P359-Q510 HydrophobicContact CG-CB 4.34Å; P359-Q510 WeakPolarHBondContact CG-O 3.45Å; Y425-Q510 VanDerWaalsContact OH-CD 3.25Å; Y425-Q510 PolarHBondContact OH-NE2 2.84Å; Y425-Q510 PolarHBondContact OH-OE1 3.24Å; V506-Q510 WeakPolarHBondContact O-CB 3.39Å; V506-Q510 WeakPolarHBondContact O-CG 3.13Å; V506-Q510 PolarHBondContact O-N 2.91Å; M507-Q510 CarbonylContact O-C 3.6Å; M507-Q510 PolarHBondContact O-N 2.96Å; H508-Q510 VanDerWaalsContact C-N 3.28Å; H508-Q510 PolarHBondContact O-N 3.23Å |
| 511 | S | 63.1 | Low | 71.7 | Confident | 10 Ų | 10 | 62.6 Ų | 62.6 | 7% | 0.07 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -99.5 | 132.6 | -178.4 | 170.2 | 0 | 0 | 0 | 0 | 110.3 | M507 H508 R513 F589 A590 | M507-S511 WeakPolarHBondContact O-CB 3.33Å; M507-S511 PolarHBondContact O-N 2.99Å; H508-S511 PolarHBondContact O-N 3Å; S511-R513 PolarHBondContact O-N 3.23Å; S511-F589 VanDerWaalsContact CB-CD1 3.5Å; S511-F589 WeakPolarHBondContact OG-CA 3.43Å; S511-F589 WeakPolarHBondContact OG-CB 3.49Å; S511-F589 WeakPolarHBondContact OG-CD1 3.32Å; S511-A590 PolarHBondContact OG-N 3.17Å |
| 512 | A | 57.7 | Low | 71.2 | Confident | 39 Ų | 39 | 56.8 Ų | 56.8 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 134.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | I514 | A512-I514 PolarHBondContact O-N 2.86Š|
| 513 | R | 60.9 | Low | 70.6 | Confident | 171 Ų | 171 | 56 Ų | 56 | 65% | 0.645 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 123.8 | 169.2 | -74.7 | -171.9 | -179.2 | -179.4 | 1.2 | 108.6 | S511 N587 F589 | S511-R513 PolarHBondContact O-N 3.23Å; R513-N587 HydrophobicContact CG-CB 3.93Å; R513-N587 PolarHBondContact NE-ND2 3.01Å; R513-N587 PolarHBondContact NH1-ND2 3.28Å; R513-N587 PolarHBondContact NH2-ND2 3.47Å; R513-F589 HydrophobicContact CG-CE1 3.87Å; R513-F589 HydrophobicContact CG-CZ 4.2Å |
| 514 | I | 61.4 | Low | 70.3 | Confident | 40 Ų | 40 | 63.1 Ų | 63.1 | 21% | 0.205 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 113.4 | 170.8 | -57.8 | 173.3 | 0 | 0 | 0 | 107.2 | A512 R516 L522 H588 A590 I696 | A512-I514 PolarHBondContact O-N 2.86Å; I514-R516 PolarHBondContact O-N 3.29Å; I514-L522 HydrophobicContact CG2-CD2 4.24Å; I514-H588 HydrophobicContact CB-CB 4.23Å; I514-H588 PolarHBondContact N-O 3.47Å; I514-A590 HydrophobicContact CD1-CB 4.3Å; I514-I696 HydrophobicContact CD1-CD1 3.91Å; I514-I696 HydrophobicContact CD1-CG1 4.06Å; I514-I696 HydrophobicContact CD1-CG2 3.77Å |
| 515 | T | 58.1 | Low | 70.3 | Confident | 93 Ų | 93 | 62.2 Ų | 62.2 | 57% | 0.571 | 34% | 0.337 | S | S | * | . | trans | -65.9 | 120.2 | 175 | 31.2 | 0 | 0 | 0 | 0 | 109.8 | E517 | T515-E517 PolarHBondContact O-N 3.22Š| ||
| 516 | R | 59.7 | Low | 70.4 | Confident | 62 Ų | 62 | 55 Ų | 55 | 23% | 0.234 | 31% | 0.31 | C | S | . | . | trans | -81.1 | 95.2 | 176.9 | -147.7 | -165.5 | -168.8 | 152.6 | -15.8 | 108.3 | I514 S518 A523 T582 H588 | I514-R516 PolarHBondContact O-N 3.29Å; R516-S518 PolarHBondContact O-N 3.43Å; R516-A523 HydrophobicContact CG-CB 4.1Å; R516-A523 PolarHBondContact NH2-O 2.78Å; R516-T582 PolarHBondContact NH1-O 2.66Å; R516-H588 WeakPolarHBondContact CD-NE2 3.37Å; R516-H588 WeakPolarHBondContact CG-NE2 3.19Å; R516-H588 VanDerWaalsContact CZ-NE2 3.32Å; R516-H588 PolarHBondContact NE-NE2 3.36Å; R516-H588 PolarHBondContact NH1-CE1 3.01Å; R516-H588 PolarHBondContact NH1-NE2 2.82Å | ||
| 517 | E | 64.4 | Low | 70.7 | Confident | 116 Ų | 116 | 56.8 Ų | 56.8 | 54% | 0.542 | 32% | 0.32 | S | S | . | . | trans | -69.9 | 124.5 | 171.6 | -74.3 | 168.2 | -155.1 | 0 | 0 | 109.4 | T515 G519 S520 R703 | T515-E517 PolarHBondContact O-N 3.22Å; E517-G519 PolarHBondContact O-N 3.26Å; E517-S520 WeakPolarHBondContact O-CB 3.3Å; E517-S520 PolarHBondContact O-N 3.17Å; E517-S520 VanDerWaalsContact O-N 3.15Å; E517-S520 PolarHBondContact O-OG 2.87Å; E517-R703 IonicContact OE1-NH2 3.67Å; E517-R703 PolarHBondContact OE1-NH2 3.5Å | ||
| 518 | S | 62.1 | Low | 71.2 | Confident | 124 Ų | 124 | 58.5 Ų | 58.5 | 87% | 0.867 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 121.3 | 176.5 | 48.1 | 0 | 0 | 0 | 0 | 110 | R516 | R516-S518 PolarHBondContact O-N 3.43Š|
| 519 | G | 65.3 | Low | 71.9 | Confident | 61 Ų | 61 | 56.6 Ų | 56.6 | 63% | 0.629 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.9 | -10.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | E517 | E517-G519 PolarHBondContact O-N 3.26Š|
| 520 | S | 73.9 | Confident | 72.7 | Confident | 28 Ų | 28 | 56 Ų | 56 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | trans | -62.4 | 150.8 | 177.1 | 63.5 | 0 | 0 | 0 | 0 | 112.8 | E517 L522 A523 K524 | E517-S520 WeakPolarHBondContact O-CB 3.3Å; E517-S520 PolarHBondContact O-N 3.17Å; E517-S520 VanDerWaalsContact O-N 3.15Å; E517-S520 PolarHBondContact O-OG 2.87Å; S520-L522 PolarHBondContact O-N 2.94Å; S520-A523 WeakPolarHBondContact O-CB 3.38Å; S520-A523 PolarHBondContact O-N 3.41Å; S520-A523 WeakPolarHBondContact OG-CB 3.4Å; S520-A523 PolarHBondContact OG-N 3.13Å; S520-K524 PolarHBondContact O-N 3.4Å | ||
| 521 | A | 76.5 | Confident | 73.8 | Confident | 59 Ų | 59 | 62.6 Ų | 62.6 | 49% | 0.488 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56 | -38.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | A523 K524 V525 L695 | A521-A523 PolarHBondContact O-N 3.25Å; A521-K524 PolarHBondContact O-N 3.38Å; A521-V525 WeakPolarHBondContact O-CG2 3.27Å; A521-V525 PolarHBondContact O-N 2.84Å; A521-V525 VanDerWaalsContact O-N 3.14Å; A521-L695 HydrophobicContact CB-CD1 4.28Å; A521-L695 HydrophobicContact CB-CD2 4.35Å |
| 522 | L | 77.3 | Confident | 75.1 | Confident | 9 Ų | 9 | 62.8 Ų | 62.8 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 174.3 | -179.1 | 64.3 | 0 | 0 | 0 | 111.9 | I514 S520 K524 V525 L526 L695 I696 | I514-L522 HydrophobicContact CG2-CD2 4.24Å; S520-L522 PolarHBondContact O-N 2.94Å; L522-K524 VanDerWaalsContact C-N 3.3Å; L522-K524 PolarHBondContact O-N 3.07Å; L522-V525 PolarHBondContact O-N 3.33Å; L522-L526 HydrophobicContact CD1-CD1 4.14Å; L522-L526 HydrophobicContact CD1-CG 4.23Å; L522-L526 HydrophobicContact CG-CD1 3.88Å; L522-L526 HydrophobicContact CG-CG 4.39Å; L522-L526 WeakPolarHBondContact O-CB 3.38Å; L522-L526 VanDerWaalsContact O-CG 3.32Å; L522-L526 WeakPolarHBondContact O-CG 3.29Å; L522-L526 PolarHBondContact O-N 2.99Å; L522-L695 HydrophobicContact CD1-CB 4.39Å; L522-I696 HydrophobicContact CD1-CD1 4.29Å; L522-I696 HydrophobicContact CD1-CG1 3.99Å; L522-I696 HydrophobicContact CD2-CD1 4.45Å; L522-I696 HydrophobicContact CD2-CG1 3.8Å |
| 523 | A | 75.9 | Confident | 76.5 | Confident | 12 Ų | 12 | 60.9 Ų | 60.9 | 10% | 0.099 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R516 S520 A521 L526 V527 | R516-A523 HydrophobicContact CG-CB 4.1Å; R516-A523 PolarHBondContact NH2-O 2.78Å; S520-A523 WeakPolarHBondContact O-CB 3.38Å; S520-A523 PolarHBondContact O-N 3.41Å; S520-A523 WeakPolarHBondContact OG-CB 3.4Å; S520-A523 PolarHBondContact OG-N 3.13Å; A521-A523 PolarHBondContact O-N 3.25Å; A523-L526 PolarHBondContact O-N 3.21Å; A523-V527 VanDerWaalsContact O-CG2 3.28Å; A523-V527 WeakPolarHBondContact O-CG2 3.37Å; A523-V527 PolarHBondContact O-N 3.3Å |
| 524 | K | 82.6 | Confident | 77.9 | Confident | 149 Ų | 149 | 54.8 Ų | 54.8 | 65% | 0.648 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.2 | -46.9 | 176 | -64.6 | -178.8 | -177.3 | -179.8 | 0 | 111.8 | S520 A521 L522 L526 V527 A528 | S520-K524 PolarHBondContact O-N 3.4Å; A521-K524 PolarHBondContact O-N 3.38Å; L522-K524 VanDerWaalsContact C-N 3.3Å; L522-K524 PolarHBondContact O-N 3.07Å; K524-L526 PolarHBondContact O-N 3.4Å; K524-V527 PolarHBondContact O-N 3.42Å; K524-A528 PolarHBondContact O-N 3.09Å |
| 525 | V | 84.1 | Confident | 79.4 | Confident | 22 Ų | 22 | 54.5 Ų | 54.5 | 13% | 0.133 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 178.1 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | A521 L522 V527 A528 L529 L688 V691 S692 L695 | A521-V525 WeakPolarHBondContact O-CG2 3.27Å; A521-V525 PolarHBondContact O-N 2.84Å; A521-V525 VanDerWaalsContact O-N 3.14Å; L522-V525 PolarHBondContact O-N 3.33Å; V525-V527 VanDerWaalsContact C-N 3.29Å; V525-V527 PolarHBondContact O-N 3.27Å; V525-A528 WeakPolarHBondContact O-CB 3.37Å; V525-A528 PolarHBondContact O-N 3.1Å; V525-L529 WeakPolarHBondContact O-CB 3.14Å; V525-L529 PolarHBondContact O-N 3.48Å; V525-L688 HydrophobicContact CG1-CB 4.16Å; V525-L688 HydrophobicContact CG1-CD2 4.04Å; V525-L688 VanDerWaalsContact CG1-O 3.29Å; V525-L688 WeakPolarHBondContact CG1-O 3.48Å; V525-V691 HydrophobicContact CG1-CG1 4.45Å; V525-V691 HydrophobicContact CG2-CG1 4.1Å; V525-S692 WeakPolarHBondContact CG1-OG 3.47Å; V525-L695 HydrophobicContact CG2-CD1 3.86Å |
| 526 | L | 83.8 | Confident | 80.9 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.1 | -28.4 | 177.7 | -70.7 | 170.9 | 0 | 0 | 0 | 113.1 | L522 A523 K524 L529 W530 T582 L593 | L522-L526 HydrophobicContact CD1-CD1 4.14Å; L522-L526 HydrophobicContact CD1-CG 4.23Å; L522-L526 HydrophobicContact CG-CD1 3.88Å; L522-L526 HydrophobicContact CG-CG 4.39Å; L522-L526 WeakPolarHBondContact O-CB 3.38Å; L522-L526 VanDerWaalsContact O-CG 3.32Å; L522-L526 WeakPolarHBondContact O-CG 3.29Å; L522-L526 PolarHBondContact O-N 2.99Å; A523-L526 PolarHBondContact O-N 3.21Å; K524-L526 PolarHBondContact O-N 3.4Å; L526-L529 HydrophobicContact CD2-CD2 4.49Å; L526-W530 PolarHBondContact O-N 3.15Å; L526-T582 HydrophobicContact CD2-CG2 4.37Å; L526-T582 WeakPolarHBondContact O-CB 3.29Å; L526-T582 WeakPolarHBondContact O-CG2 3.49Å; L526-L593 HydrophobicContact CD2-CD1 4.03Å |
| 527 | V | 86 | Confident | 82.3 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -70.7 | -42.8 | 171.7 | 166.3 | 0 | 0 | 0 | 0 | 110.6 | A523 K524 V525 L529 W530 Y531 | A523-V527 VanDerWaalsContact O-CG2 3.28Å; A523-V527 WeakPolarHBondContact O-CG2 3.37Å; A523-V527 PolarHBondContact O-N 3.3Å; K524-V527 PolarHBondContact O-N 3.42Å; V525-V527 VanDerWaalsContact C-N 3.29Å; V525-V527 PolarHBondContact O-N 3.27Å; V527-L529 VanDerWaalsContact C-N 3.3Å; V527-L529 PolarHBondContact O-N 2.89Å; V527-W530 WeakPolarHBondContact O-CB 3.47Å; V527-W530 PolarHBondContact O-N 3.36Å; V527-W530 VanDerWaalsContact O-N 3.17Å; V527-Y531 HydrophobicContact CG1-CD2 3.92Å; V527-Y531 HydrophobicContact CG1-CE2 3.39Å; V527-Y531 WeakPolarHBondContact O-CD2 3.44Å; V527-Y531 PolarHBondContact O-N 2.89Å; V527-Y531 VanDerWaalsContact O-N 3.07Å |
| 528 | A | 87.4 | Confident | 83.6 | Confident | 37 Ų | 37 | 50.9 Ų | 50.9 | 31% | 0.306 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | K524 V525 W530 Y531 C532 L688 | K524-A528 PolarHBondContact O-N 3.09Å; V525-A528 WeakPolarHBondContact O-CB 3.37Å; V525-A528 PolarHBondContact O-N 3.1Å; A528-W530 VanDerWaalsContact C-N 3.27Å; A528-W530 PolarHBondContact O-N 3.25Å; A528-Y531 PolarHBondContact O-N 2.75Å; A528-Y531 VanDerWaalsContact O-N 3.15Å; A528-C532 PolarHBondContact O-N 3.43Å; A528-C532 PolarHBondContact O-SG 2.84Å; A528-L688 HydrophobicContact CB-CD1 4.09Å; A528-L688 HydrophobicContact CB-CD2 4.36Å |
| 529 | L | 87.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.2 | -35 | 176.4 | -170.1 | 69.2 | 0 | 0 | 0 | 112 | V525 L526 V527 C532 A533 Q578 T582 L596 L688 V689 | V525-L529 WeakPolarHBondContact O-CB 3.14Å; V525-L529 PolarHBondContact O-N 3.48Å; L526-L529 HydrophobicContact CD2-CD2 4.49Å; V527-L529 VanDerWaalsContact C-N 3.3Å; V527-L529 PolarHBondContact O-N 2.89Å; L529-C532 PolarHBondContact O-N 3.42Å; L529-A533 PolarHBondContact O-N 3.35Å; L529-Q578 HydrophobicContact CD1-CG 4.07Å; L529-Q578 VanDerWaalsContact CD1-NE2 3.3Å; L529-Q578 HydrophobicContact CD2-CG 4.39Å; L529-Q578 HydrophobicContact CG-CG 3.83Å; L529-Q578 PolarHBondContact O-NE2 3.32Å; L529-T582 HydrophobicContact CB-CG2 3.71Å; L529-T582 HydrophobicContact CD2-CG2 3.52Å; L529-T582 HydrophobicContact CG-CG2 3.65Å; L529-L596 HydrophobicContact CD2-CD2 3.99Å; L529-L688 HydrophobicContact CB-CD1 4.43Å; L529-L688 HydrophobicContact CD1-CB 3.99Å; L529-L688 HydrophobicContact CD1-CD1 4.34Å; L529-V689 HydrophobicContact CD1-CG2 3.82Å; L529-V689 HydrophobicContact CD2-CG2 3.61Å; L529-V689 HydrophobicContact CG-CG2 4.41Å |
| 530 | W | 89.9 | Confident | 85.9 | Confident | 89 Ų | 89 | 43.7 Ų | 43.7 | 34% | 0.337 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.7 | -45.5 | 173.1 | -173.9 | 85.3 | 0 | 0 | 0 | 111.7 | L526 V527 A528 C532 A533 V534 L579 T582 | L526-W530 PolarHBondContact O-N 3.15Å; V527-W530 WeakPolarHBondContact O-CB 3.47Å; V527-W530 PolarHBondContact O-N 3.36Å; V527-W530 VanDerWaalsContact O-N 3.17Å; A528-W530 VanDerWaalsContact C-N 3.27Å; A528-W530 PolarHBondContact O-N 3.25Å; W530-C532 VanDerWaalsContact C-N 3.34Å; W530-C532 PolarHBondContact O-N 3.34Å; W530-A533 WeakPolarHBondContact O-CB 3.42Å; W530-A533 PolarHBondContact O-N 3.29Å; W530-A533 VanDerWaalsContact O-N 3.1Å; W530-V534 HydrophobicContact CD2-CG2 4.02Å; W530-V534 HydrophobicContact CE3-CG2 3.99Å; W530-V534 HydrophobicContact CH2-CG2 3.69Å; W530-V534 HydrophobicContact CZ2-CG2 3.69Å; W530-V534 HydrophobicContact CZ3-CG2 3.83Å; W530-V534 WeakPolarHBondContact O-CG2 3.39Å; W530-V534 PolarHBondContact O-N 2.99Å; W530-L579 HydrophobicContact CG-CD2 4.44Å; W530-T582 HydrophobicContact CB-CG2 4.48Å; W530-T582 VanDerWaalsContact CD1-OG1 3.3Å |
| 531 | Y | 91.4 | Very high | 86.5 | Confident | 146 Ų | 146 | 44.3 Ų | 44.3 | 57% | 0.573 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.1 | -41 | 176.6 | -70.2 | -58 | 0 | 0 | 0 | 112.3 | V527 A528 A533 V534 A535 | V527-Y531 HydrophobicContact CG1-CD2 3.92Å; V527-Y531 HydrophobicContact CG1-CE2 3.39Å; V527-Y531 WeakPolarHBondContact O-CD2 3.44Å; V527-Y531 PolarHBondContact O-N 2.89Å; V527-Y531 VanDerWaalsContact O-N 3.07Å; A528-Y531 PolarHBondContact O-N 2.75Å; A528-Y531 VanDerWaalsContact O-N 3.15Å; Y531-A533 VanDerWaalsContact C-N 3.27Å; Y531-A533 PolarHBondContact O-N 3.37Å; Y531-V534 PolarHBondContact O-N 2.65Å; Y531-A535 WeakPolarHBondContact O-CB 3.23Å; Y531-A535 PolarHBondContact O-N 3.4Å |
| 532 | C | 90.7 | Very high | 86.9 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 10% | 0.095 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.6 | -40.7 | 173 | -67.7 | 0 | 0 | 0 | 0 | 111.6 | A528 L529 W530 A535 L536 S685 | A528-C532 PolarHBondContact O-N 3.43Å; A528-C532 PolarHBondContact O-SG 2.84Å; L529-C532 PolarHBondContact O-N 3.42Å; W530-C532 VanDerWaalsContact C-N 3.34Å; W530-C532 PolarHBondContact O-N 3.34Å; C532-A535 PolarHBondContact O-N 3.47Å; C532-L536 WeakPolarHBondContact O-CB 3.47Å; C532-L536 VanDerWaalsContact O-CG 3.3Å; C532-L536 WeakPolarHBondContact O-CG 3.06Å; C532-L536 PolarHBondContact O-N 2.97Å; C532-S685 WeakPolarHBondContact CB-OG 3.24Å |
| 533 | A | 88.5 | Confident | 87 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.9 | -42.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L529 W530 Y531 L536 F537 Q578 L579 | L529-A533 PolarHBondContact O-N 3.35Å; W530-A533 WeakPolarHBondContact O-CB 3.42Å; W530-A533 PolarHBondContact O-N 3.29Å; W530-A533 VanDerWaalsContact O-N 3.1Å; Y531-A533 VanDerWaalsContact C-N 3.27Å; Y531-A533 PolarHBondContact O-N 3.37Å; A533-L536 PolarHBondContact O-N 2.83Å; A533-F537 WeakPolarHBondContact O-CB 3.19Å; A533-F537 PolarHBondContact O-N 3.36Å; A533-Q578 HydrophobicContact CB-CB 3.75Å; A533-Q578 HydrophobicContact CB-CG 3.64Å; A533-L579 HydrophobicContact CB-CD2 3.78Å; A533-L579 HydrophobicContact CB-CG 3.75Å |
| 534 | V | 90.4 | Very high | 87 | Confident | 43 Ų | 43 | 44.7 Ų | 44.7 | 26% | 0.261 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64 | -44.2 | 175.6 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | W530 Y531 F537 L538 L579 | W530-V534 HydrophobicContact CD2-CG2 4.02Å; W530-V534 HydrophobicContact CE3-CG2 3.99Å; W530-V534 HydrophobicContact CH2-CG2 3.69Å; W530-V534 HydrophobicContact CZ2-CG2 3.69Å; W530-V534 HydrophobicContact CZ3-CG2 3.83Å; W530-V534 WeakPolarHBondContact O-CG2 3.39Å; W530-V534 PolarHBondContact O-N 2.99Å; Y531-V534 PolarHBondContact O-N 2.65Å; V534-F537 PolarHBondContact O-N 3.19Å; V534-L538 HydrophobicContact CG1-CD1 3.97Å; V534-L538 HydrophobicContact CG1-CG 4.4Å; V534-L538 WeakPolarHBondContact O-CG 3.08Å; V534-L538 PolarHBondContact O-N 3.44Å; V534-L579 HydrophobicContact CG2-CD2 3.79Å |
| 535 | A | 91.7 | Very high | 86.9 | Confident | 33 Ų | 33 | 42.3 Ų | 42.3 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y531 C532 F537 L538 L539 L681 | Y531-A535 WeakPolarHBondContact O-CB 3.23Å; Y531-A535 PolarHBondContact O-N 3.4Å; C532-A535 PolarHBondContact O-N 3.47Å; A535-F537 PolarHBondContact O-N 3.46Å; A535-L538 PolarHBondContact O-N 3.2Å; A535-L539 WeakPolarHBondContact O-CB 3.18Å; A535-L539 VanDerWaalsContact O-CG 3.25Å; A535-L539 WeakPolarHBondContact O-CG 2.97Å; A535-L539 PolarHBondContact O-N 2.94Å; A535-L681 HydrophobicContact CB-CD1 3.78Å |
| 536 | L | 88.7 | Confident | 86.3 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.5 | -46.8 | 174.2 | -76.4 | 170.5 | 0 | 0 | 0 | 111.5 | C532 A533 L538 L539 T540 Q678 L681 | C532-L536 WeakPolarHBondContact O-CB 3.47Å; C532-L536 VanDerWaalsContact O-CG 3.3Å; C532-L536 WeakPolarHBondContact O-CG 3.06Å; C532-L536 PolarHBondContact O-N 2.97Å; A533-L536 PolarHBondContact O-N 2.83Å; L536-L538 PolarHBondContact O-N 2.89Å; L536-L539 PolarHBondContact O-N 2.91Å; L536-T540 VanDerWaalsContact O-CB 3.31Å; L536-T540 WeakPolarHBondContact O-CB 3.47Å; L536-T540 PolarHBondContact O-N 2.91Å; L536-T540 PolarHBondContact O-OG1 3.49Å; L536-Q678 HydrophobicContact CD2-CB 3.93Å; L536-Q678 HydrophobicContact CD2-CG 4.15Å; L536-Q678 WeakPolarHBondContact CD2-O 3.43Å; L536-L681 HydrophobicContact CD2-CB 3.8Å; L536-L681 HydrophobicContact CD2-CD1 4.24Å; L536-L681 HydrophobicContact CG-CB 4.01Å; L536-L681 HydrophobicContact CG-CD1 4.31Å |
| 537 | F | 89.7 | Confident | 85.6 | Confident | 90 Ų | 90 | 43.6 Ų | 43.6 | 40% | 0.395 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.9 | -45.9 | 178.3 | -179.1 | -92.6 | 0 | 0 | 0 | 112.3 | A533 V534 A535 T541 Y572 | A533-F537 WeakPolarHBondContact O-CB 3.19Å; A533-F537 PolarHBondContact O-N 3.36Å; V534-F537 PolarHBondContact O-N 3.19Å; A535-F537 PolarHBondContact O-N 3.46Å; F537-T541 WeakPolarHBondContact O-CB 3.45Å; F537-T541 PolarHBondContact O-N 3.3Å; F537-T541 PolarHBondContact O-OG1 3.39Å; F537-Y572 AromaticContact CD2-CD1 3.83Å; F537-Y572 HydrophobicContact CD2-CD1 3.83Å; F537-Y572 AromaticContact CD2-CE1 3.91Å; F537-Y572 HydrophobicContact CD2-CE1 3.91Å; F537-Y572 AromaticContact CE2-CD1 3.77Å; F537-Y572 HydrophobicContact CE2-CD1 3.77Å; F537-Y572 AromaticContact CE2-CE1 3.69Å; F537-Y572 HydrophobicContact CE2-CE1 3.69Å; F537-Y572 HydrophobicContact CZ-CE1 4.28Å |
| 538 | L | 91.6 | Very high | 84.7 | Confident | 104 Ų | 104 | 47 Ų | 47 | 55% | 0.545 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.5 | -48.4 | 178.2 | -72.1 | 171.4 | 0 | 0 | 0 | 111.4 | V534 A535 L536 T540 T541 V542 | V534-L538 HydrophobicContact CG1-CD1 3.97Å; V534-L538 HydrophobicContact CG1-CG 4.4Å; V534-L538 WeakPolarHBondContact O-CG 3.08Å; V534-L538 PolarHBondContact O-N 3.44Å; A535-L538 PolarHBondContact O-N 3.2Å; L536-L538 PolarHBondContact O-N 2.89Å; L538-T540 PolarHBondContact O-N 3.41Å; L538-T541 WeakPolarHBondContact O-CB 3.32Å; L538-T541 PolarHBondContact O-N 3.07Å; L538-T541 VanDerWaalsContact O-N 3.14Å; L538-V542 WeakPolarHBondContact O-CG2 3.4Å; L538-V542 PolarHBondContact O-N 3.44Å |
| 539 | L | 88.6 | Confident | 83.6 | Confident | 35 Ų | 35 | 51 Ų | 51 | 18% | 0.183 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 178.4 | -74.8 | 169.3 | 0 | 0 | 0 | 111.7 | A535 L536 T541 V542 E543 I674 I677 Q678 L681 | A535-L539 WeakPolarHBondContact O-CB 3.18Å; A535-L539 VanDerWaalsContact O-CG 3.25Å; A535-L539 WeakPolarHBondContact O-CG 2.97Å; A535-L539 PolarHBondContact O-N 2.94Å; L536-L539 PolarHBondContact O-N 2.91Å; L539-T541 PolarHBondContact O-N 3.33Å; L539-V542 PolarHBondContact O-N 3.08Å; L539-E543 WeakPolarHBondContact O-CB 3.49Å; L539-E543 PolarHBondContact O-N 3.39Å; L539-I674 HydrophobicContact CB-CG2 4.01Å; L539-I674 HydrophobicContact CD2-CG1 4.35Å; L539-I674 HydrophobicContact CD2-CG2 4.13Å; L539-I677 HydrophobicContact CD1-CB 4.23Å; L539-I677 HydrophobicContact CD1-CG2 3.55Å; L539-Q678 HydrophobicContact CB-CG 3.84Å; L539-Q678 HydrophobicContact CD1-CG 4.16Å; L539-L681 HydrophobicContact CD1-CD1 3.58Å |
| 540 | T | 86.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.7 | -36.8 | 176.4 | -50.4 | 0 | 0 | 0 | 0 | 111.3 | L536 L538 E543 A544 I568 M571 Y572 Q678 | L536-T540 VanDerWaalsContact O-CB 3.31Å; L536-T540 WeakPolarHBondContact O-CB 3.47Å; L536-T540 PolarHBondContact O-N 2.91Å; L536-T540 PolarHBondContact O-OG1 3.49Å; L538-T540 PolarHBondContact O-N 3.41Å; T540-E543 PolarHBondContact O-N 3.39Å; T540-A544 WeakPolarHBondContact O-CB 3.27Å; T540-A544 PolarHBondContact O-N 2.89Å; T540-I568 HydrophobicContact CG2-CB 4.44Å; T540-I568 HydrophobicContact CG2-CG2 3.96Å; T540-M571 HydrophobicContact CG2-CB 3.8Å; T540-M571 WeakPolarHBondContact OG1-CB 3.38Å; T540-Y572 HydrophobicContact CG2-CD1 4.09Å; T540-Y572 HydrophobicContact CG2-CD2 3.84Å; T540-Y572 HydrophobicContact CG2-CE1 4.02Å; T540-Y572 HydrophobicContact CG2-CE2 3.79Å; T540-Y572 HydrophobicContact CG2-CG 4.01Å; T540-Q678 VanDerWaalsContact CA-NE2 3.35Å; T540-Q678 PolarHBondContact OG1-NE2 2.86Å |
| 541 | T | 87.8 | Confident | 80.6 | Confident | 40 Ų | 40 | 50.9 Ų | 50.9 | 25% | 0.245 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.3 | -40.1 | 176.6 | -53.9 | 0 | 0 | 0 | 0 | 112.5 | F537 L538 L539 E543 A544 L545 Y572 | F537-T541 WeakPolarHBondContact O-CB 3.45Å; F537-T541 PolarHBondContact O-N 3.3Å; F537-T541 PolarHBondContact O-OG1 3.39Å; L538-T541 WeakPolarHBondContact O-CB 3.32Å; L538-T541 PolarHBondContact O-N 3.07Å; L538-T541 VanDerWaalsContact O-N 3.14Å; L539-T541 PolarHBondContact O-N 3.33Å; T541-E543 VanDerWaalsContact C-N 3.35Å; T541-A544 PolarHBondContact O-N 3.04Å; T541-L545 HydrophobicContact CG2-CD1 4.18Å; T541-L545 WeakPolarHBondContact O-CB 3.37Å; T541-L545 VanDerWaalsContact O-CG 3.25Å; T541-L545 WeakPolarHBondContact O-CG 3.46Å; T541-L545 PolarHBondContact O-N 3Å; T541-Y572 WeakPolarHBondContact CA-OH 3.4Å; T541-Y572 WeakPolarHBondContact CB-OH 3.24Å; T541-Y572 WeakPolarHBondContact OG1-CE1 3.25Å; T541-Y572 PolarHBondContact OG1-OH 2.92Å |
| 542 | V | 84.8 | Confident | 78.5 | Confident | 69 Ų | 69 | 51.8 Ų | 51.8 | 42% | 0.418 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 173.1 | 175 | 0 | 0 | 0 | 0 | 110.3 | L538 L539 L545 M546 I674 | L538-V542 WeakPolarHBondContact O-CG2 3.4Å; L538-V542 PolarHBondContact O-N 3.44Å; L539-V542 PolarHBondContact O-N 3.08Å; V542-L545 PolarHBondContact O-N 3.34Å; V542-M546 HydrophobicContact CG1-CG 4.42Å; V542-M546 HydrophobicContact CG1-SD 4.14Å; V542-M546 WeakPolarHBondContact O-CB 3.04Å; V542-M546 VanDerWaalsContact O-CG 3.31Å; V542-M546 WeakPolarHBondContact O-CG 3.15Å; V542-M546 PolarHBondContact O-N 3.39Å; V542-I674 HydrophobicContact CB-CD1 4.38Å; V542-I674 HydrophobicContact CG1-CD1 3.7Å |
| 543 | E | 78.6 | Confident | 76.1 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 177 | -173.2 | -178 | -173 | 0 | 0 | 112.3 | L539 T540 T541 L545 M546 N547 I568 I674 Q675 Q678 | L539-E543 WeakPolarHBondContact O-CB 3.49Å; L539-E543 PolarHBondContact O-N 3.39Å; T540-E543 PolarHBondContact O-N 3.39Å; T541-E543 VanDerWaalsContact C-N 3.35Å; E543-L545 PolarHBondContact O-N 2.87Å; E543-M546 PolarHBondContact O-N 3.39Å; E543-N547 WeakPolarHBondContact O-CB 3.33Å; E543-N547 PolarHBondContact O-N 3.08Å; E543-I568 HydrophobicContact CG-CD1 4.27Å; E543-I568 HydrophobicContact CG-CG1 4.38Å; E543-I674 HydrophobicContact CB-CG2 4.09Å; E543-Q675 WeakPolarHBondContact OE1-CG 3.13Å; E543-Q675 PolarHBondContact OE1-NE2 2.84Å; E543-Q678 PolarHBondContact OE2-NE2 2.97Å; E543-Q678 PolarHBondContact OE2-OE1 3.08Å |
| 544 | A | 76.1 | Confident | 74.1 | Confident | 17 Ų | 17 | 58.3 Ų | 58.3 | 14% | 0.14 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | T540 T541 N547 I548 I568 Y572 | T540-A544 WeakPolarHBondContact O-CB 3.27Å; T540-A544 PolarHBondContact O-N 2.89Å; T541-A544 PolarHBondContact O-N 3.04Å; A544-N547 PolarHBondContact O-N 2.86Å; A544-I548 VanDerWaalsContact O-CG1 3.31Å; A544-I548 WeakPolarHBondContact O-CG1 3.32Å; A544-I548 PolarHBondContact O-N 3.48Å; A544-I568 HydrophobicContact CB-CD1 4.2Å; A544-I568 HydrophobicContact CB-CG2 4.02Å; A544-Y572 HydrophobicContact CB-CE2 4.47Å |
| 545 | L | 79.5 | Confident | 71.6 | Confident | 99 Ų | 99 | 64.3 Ų | 64.3 | 52% | 0.518 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 175.4 | -74.2 | 168.2 | 0 | 0 | 0 | 111.5 | T541 V542 E543 I548 L549 | T541-L545 HydrophobicContact CG2-CD1 4.18Å; T541-L545 WeakPolarHBondContact O-CB 3.37Å; T541-L545 VanDerWaalsContact O-CG 3.25Å; T541-L545 WeakPolarHBondContact O-CG 3.46Å; T541-L545 PolarHBondContact O-N 3Å; V542-L545 PolarHBondContact O-N 3.34Å; E543-L545 PolarHBondContact O-N 2.87Å; L545-I548 PolarHBondContact O-N 3.38Å; L545-L549 VanDerWaalsContact O-CG 3.27Å; L545-L549 WeakPolarHBondContact O-CG 3.22Å; L545-L549 PolarHBondContact O-N 3.22Å |
| 546 | M | 73.3 | Confident | 69.1 | Low | 23 Ų | 23 | 69.5 Ų | 69.5 | 11% | 0.113 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 175.5 | -75.8 | -177.8 | 73.8 | 0 | 0 | 111.3 | V542 E543 I548 L549 I550 L667 V670 I674 | V542-M546 HydrophobicContact CG1-CG 4.42Å; V542-M546 HydrophobicContact CG1-SD 4.14Å; V542-M546 WeakPolarHBondContact O-CB 3.04Å; V542-M546 VanDerWaalsContact O-CG 3.31Å; V542-M546 WeakPolarHBondContact O-CG 3.15Å; V542-M546 PolarHBondContact O-N 3.39Å; E543-M546 PolarHBondContact O-N 3.39Å; M546-I548 VanDerWaalsContact C-N 3.32Å; M546-I548 PolarHBondContact O-N 2.9Å; M546-L549 PolarHBondContact O-N 3.09Å; M546-L549 VanDerWaalsContact O-N 3.15Å; M546-I550 HydrophobicContact CB-CD1 4.28Å; M546-I550 WeakPolarHBondContact O-CB 3.48Å; M546-I550 WeakPolarHBondContact O-CD1 3.07Å; M546-I550 WeakPolarHBondContact O-CG1 3.16Å; M546-I550 PolarHBondContact O-N 2.96Å; M546-L667 HydrophobicContact CE-CB 4.12Å; M546-L667 HydrophobicContact CE-CD2 3.74Å; M546-L667 HydrophobicContact CE-CG 4.25Å; M546-L667 WeakPolarHBondContact CE-O 3.18Å; M546-V670 HydrophobicContact CE-CB 3.76Å; M546-V670 HydrophobicContact CE-CG1 3.58Å; M546-V670 HydrophobicContact SD-CG1 3.7Å; M546-I674 HydrophobicContact SD-CD1 3.79Å |
| 547 | N | 68.9 | Low | 66.8 | Low | 27 Ų | 27 | 74.5 Ų | 74.5 | 14% | 0.144 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 177.2 | -85.6 | -25.4 | 0 | 0 | 0 | 111.7 | E543 A544 L549 I550 R551 N564 I568 | E543-N547 WeakPolarHBondContact O-CB 3.33Å; E543-N547 PolarHBondContact O-N 3.08Å; A544-N547 PolarHBondContact O-N 2.86Å; N547-L549 PolarHBondContact O-N 3.42Å; N547-I550 PolarHBondContact O-N 3.36Å; N547-R551 VanDerWaalsContact O-CB 3.29Å; N547-R551 WeakPolarHBondContact O-CB 3.49Å; N547-R551 PolarHBondContact O-N 2.93Å; N547-N564 PolarHBondContact ND2-ND2 2.91Å; N547-N564 PolarHBondContact OD1-ND2 2.64Å; N547-I568 WeakPolarHBondContact ND2-CD1 3.46Å |
| 548 | I | 67.1 | Low | 64.7 | Low | 117 Ų | 117 | 73.9 Ų | 73.9 | 60% | 0.6 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.5 | -43.9 | 175.6 | -68.2 | 165 | 0 | 0 | 0 | 111.3 | A544 L545 M546 | A544-I548 VanDerWaalsContact O-CG1 3.31Å; A544-I548 WeakPolarHBondContact O-CG1 3.32Å; A544-I548 PolarHBondContact O-N 3.48Å; L545-I548 PolarHBondContact O-N 3.38Å; M546-I548 VanDerWaalsContact C-N 3.32Å; M546-I548 PolarHBondContact O-N 2.9Å |
| 549 | L | 64.3 | Low | 62.5 | Low | 121 Ų | 121 | 72.4 Ų | 72.4 | 63% | 0.634 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -67.8 | -37.4 | 179.6 | -68.9 | 168 | 0 | 0 | 0 | 112.5 | L545 M546 N547 | L545-L549 VanDerWaalsContact O-CG 3.27Å; L545-L549 WeakPolarHBondContact O-CG 3.22Å; L545-L549 PolarHBondContact O-N 3.22Å; M546-L549 PolarHBondContact O-N 3.09Å; M546-L549 VanDerWaalsContact O-N 3.15Å; N547-L549 PolarHBondContact O-N 3.42Å |
| 550 | I | 59.6 | Low | 60.5 | Low | 17 Ų | 17 | 71.2 Ų | 71.2 | 9% | 0.087 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -73.1 | -34.7 | 179.2 | -65.3 | 161.5 | 0 | 0 | 0 | 111.1 | M546 N547 Q552 N553 W554 L667 | M546-I550 HydrophobicContact CB-CD1 4.28Å; M546-I550 WeakPolarHBondContact O-CB 3.48Å; M546-I550 WeakPolarHBondContact O-CD1 3.07Å; M546-I550 WeakPolarHBondContact O-CG1 3.16Å; M546-I550 PolarHBondContact O-N 2.96Å; N547-I550 PolarHBondContact O-N 3.36Å; I550-Q552 PolarHBondContact O-N 2.77Å; I550-Q552 VanDerWaalsContact O-N 3.09Å; I550-N553 PolarHBondContact O-N 3.06Å; I550-W554 HydrophobicContact CG2-CD2 3.82Å; I550-W554 VanDerWaalsContact CG2-CE2 3.48Å; I550-W554 HydrophobicContact CG2-CG 3.88Å; I550-W554 HydrophobicContact CG2-CZ2 4.05Å; I550-W554 VanDerWaalsContact CG2-NE1 3.31Å; I550-L667 HydrophobicContact CD1-CB 3.82Å; I550-L667 HydrophobicContact CD1-CD2 3.92Å; I550-L667 HydrophobicContact CD1-CG 4.47Å; I550-L667 HydrophobicContact CG1-CB 4.13Å; I550-L667 HydrophobicContact CG1-CD2 3.75Å; I550-L667 HydrophobicContact CG1-CG 4.39Å |
| 551 | R | 54.1 | Low | 58.8 | Low | 70 Ų | 70 | 72.2 Ų | 72.2 | 26% | 0.264 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58 | -26.2 | -175 | -156.9 | -179.6 | -169.4 | -173.8 | 18.1 | 114.2 | Y453 D457 N547 N553 W554 | Y453-R551 VanDerWaalsContact CZ-NH2 3.3Å; Y453-R551 PolarHBondContact OH-NH1 3.07Å; Y453-R551 PolarHBondContact OH-NH2 3.38Å; D457-R551 IonicContact OD1-CZ 3.38Å; D457-R551 IonicContact OD1-NE 3.2Å; D457-R551 IonicContact OD1-NH1 3.73Å; D457-R551 PolarHBondContact OD1-NH1 3.49Å; D457-R551 IonicContact OD1-NH2 3.74Å; D457-R551 PolarHBondContact OD1-NH2 3.38Å; D457-R551 IonicContact OD2-CZ 2.69Å; D457-R551 IonicContact OD2-NH2 3.5Å; D457-R551 PolarHBondContact OD2-NH2 2.81Å; N547-R551 VanDerWaalsContact O-CB 3.29Å; N547-R551 WeakPolarHBondContact O-CB 3.49Å; N547-R551 PolarHBondContact O-N 2.93Å; R551-N553 PolarHBondContact O-N 3.41Å; R551-N553 VanDerWaalsContact O-N 3.09Å; R551-W554 PolarHBondContact O-N 3.08Å |
| 552 | Q | 47.7 | Very low | 57.1 | Low | 165 Ų | 165 | 70.9 Ų | 70.9 | 77% | 0.771 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -19.8 | 176 | -78.4 | -173.5 | -19.3 | 0 | 0 | 113.4 | I550 | I550-Q552 PolarHBondContact O-N 2.77Å; I550-Q552 VanDerWaalsContact O-N 3.09Å |
| 553 | N | 40.9 | Very low | 55.7 | Low | 116 Ų | 116 | 69.8 Ų | 69.8 | 62% | 0.62 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.9 | -1.8 | -176.6 | -63.8 | -43 | 0 | 0 | 0 | 114.7 | I550 R551 Q664 | I550-N553 PolarHBondContact O-N 3.06Å; R551-N553 PolarHBondContact O-N 3.41Å; R551-N553 VanDerWaalsContact O-N 3.09Å; N553-Q664 VanDerWaalsContact CB-NE2 3.27Å |
| 554 | W | 45.3 | Very low | 54.8 | Low | 35 Ų | 35 | 69.9 Ų | 69.9 | 13% | 0.133 | 35% | 0.349 | C | S | . | . | trans | -103.3 | 75.9 | -177.9 | -80.6 | 32.4 | 0 | 0 | 0 | 110.7 | I550 R551 V561 L660 Q664 L668 | I550-W554 HydrophobicContact CG2-CD2 3.82Å; I550-W554 VanDerWaalsContact CG2-CE2 3.48Å; I550-W554 HydrophobicContact CG2-CG 3.88Å; I550-W554 HydrophobicContact CG2-CZ2 4.05Å; I550-W554 VanDerWaalsContact CG2-NE1 3.31Å; R551-W554 PolarHBondContact O-N 3.08Å; W554-V561 HydrophobicContact CE3-CG2 4.36Å; W554-L660 HydrophobicContact CD2-CD2 4.23Å; W554-L660 VanDerWaalsContact CE2-CD2 3.47Å; W554-L660 HydrophobicContact CG-CD2 4.37Å; W554-L660 HydrophobicContact CH2-CD1 4.27Å; W554-L660 HydrophobicContact CZ2-CD1 3.72Å; W554-L660 HydrophobicContact CZ2-CD2 3.88Å; W554-Q664 VanDerWaalsContact CD1-OE1 3.29Å; W554-L668 HydrophobicContact CH2-CD1 3.51Å; W554-L668 HydrophobicContact CZ2-CD1 3.9Å | ||
| 555 | Q | 39.5 | Very low | 54.4 | Low | 168 Ų | 168 | 70 Ų | 70 | 79% | 0.785 | 35% | 0.347 | S | S | * | . | trans | -88.7 | -3.1 | 173.5 | -76.3 | -166.4 | -13.2 | 0 | 0 | 114.1 | ||||
| 556 | L | 37.9 | Very low | 53.8 | Low | 143 Ų | 143 | 66.2 Ų | 66.2 | 75% | 0.749 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -105.4 | -5.7 | -165.9 | -91.1 | 141.9 | 0 | 0 | 0 | 116.6 | ||
| 557 | F | 39.8 | Very low | 53.6 | Low | 106 Ų | 106 | 65.7 Ų | 65.7 | 47% | 0.465 | 33% | 0.325 | S | S | . | . | trans | -138.6 | 72.9 | 179.3 | -89.4 | -83.4 | 0 | 0 | 0 | 112.1 | N559 T560 T615 | F557-N559 PolarHBondContact O-N 3.31Å; F557-N559 VanDerWaalsContact O-N 3.13Å; F557-T560 HydrophobicContact CB-CG2 3.8Å; F557-T560 HydrophobicContact CD1-CG2 4.1Å; F557-T560 HydrophobicContact CG-CG2 4.34Å; F557-T560 PolarHBondContact O-N 2.9Å; F557-T560 PolarHBondContact O-OG1 3.45Å; F557-T615 HydrophobicContact CD1-CG2 3.95Å; F557-T615 HydrophobicContact CE1-CG2 4.15Å | ||
| 558 | D | 47.4 | Very low | 53.9 | Low | 77 Ų | 77 | 64.9 Ų | 64.9 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.3 | -23.4 | -173.9 | -106.9 | -13.8 | 0 | 0 | 0 | 114.4 | K462 | K462-D558 IonicContact NZ-OD1 3.68Å; K462-D558 IonicContact NZ-OD2 3.71Å; K462-D558 PolarHBondContact NZ-OD2 3.45Å |
| 559 | N | 45.3 | Very low | 54.4 | Low | 73 Ų | 73 | 62 Ų | 62 | 39% | 0.39 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -82.3 | -23.3 | -178 | -69.3 | -9.4 | 0 | 0 | 0 | 113.6 | T403 F557 Y563 | T403-N559 WeakPolarHBondContact CG2-OD1 3.14Å; F557-N559 PolarHBondContact O-N 3.31Å; F557-N559 VanDerWaalsContact O-N 3.13Å; N559-Y563 HydrophobicContact CB-CE2 4.47Å; N559-Y563 WeakPolarHBondContact O-CD2 3.36Å; N559-Y563 PolarHBondContact O-N 3.45Å |
| 560 | T | 46.6 | Very low | 55.1 | Low | 9 Ų | 9 | 56.4 Ų | 56.4 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -84.2 | -39.4 | -166.4 | 67.8 | 0 | 0 | 0 | 0 | 111.1 | F557 A562 Y563 N564 T615 | F557-T560 HydrophobicContact CB-CG2 3.8Å; F557-T560 HydrophobicContact CD1-CG2 4.1Å; F557-T560 HydrophobicContact CG-CG2 4.34Å; F557-T560 PolarHBondContact O-N 2.9Å; F557-T560 PolarHBondContact O-OG1 3.45Å; T560-A562 VanDerWaalsContact C-N 3.28Å; T560-A562 PolarHBondContact O-N 3.09Å; T560-Y563 PolarHBondContact O-N 3.47Å; T560-N564 PolarHBondContact O-N 2.87Å; T560-N564 VanDerWaalsContact O-N 3.1Å; T560-T615 WeakPolarHBondContact CB-OG1 3.5Å; T560-T615 HydrophobicContact CG2-CG2 3.24Å; T560-T615 WeakPolarHBondContact CG2-OG1 3.26Å |
| 561 | V | 51.3 | Low | 56.1 | Low | 22 Ų | 22 | 56 Ų | 56 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 171.6 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | W554 N564 V565 | W554-V561 HydrophobicContact CE3-CG2 4.36Å; V561-N564 PolarHBondContact O-N 2.9Å; V561-V565 HydrophobicContact CG1-CG2 4.39Å; V561-V565 WeakPolarHBondContact O-CG2 3.31Å; V561-V565 PolarHBondContact O-N 3.46Å |
| 562 | A | 52 | Low | 57.6 | Low | 12 Ų | 12 | 55.8 Ų | 55.8 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.3 | -54.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | H450 V454 T560 N564 V565 M566 | H450-A562 PolarHBondContact CE1-O 3.28Å; H450-A562 PolarHBondContact NE2-O 3.05Å; V454-A562 HydrophobicContact CG2-CB 3.95Å; T560-A562 VanDerWaalsContact C-N 3.28Å; T560-A562 PolarHBondContact O-N 3.09Å; A562-N564 VanDerWaalsContact C-N 3.31Å; A562-N564 PolarHBondContact O-N 3.39Å; A562-V565 PolarHBondContact O-N 3.45Å; A562-V565 VanDerWaalsContact O-N 3.12Å; A562-M566 PolarHBondContact O-N 3.23Å; A562-M566 VanDerWaalsContact O-N 3.16Å |
| 563 | Y | 54.4 | Low | 59.4 | Low | 46 Ų | 46 | 49 Ų | 49 | 18% | 0.18 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.9 | -38.6 | 178.9 | -70 | -66.5 | 0 | 0 | 0 | 113.3 | F407 N559 T560 V565 M566 D567 Y610 | F407-Y563 HydrophobicContact CE1-CE1 4.43Å; F407-Y563 HydrophobicContact CZ-CE1 4.4Å; N559-Y563 HydrophobicContact CB-CE2 4.47Å; N559-Y563 WeakPolarHBondContact O-CD2 3.36Å; N559-Y563 PolarHBondContact O-N 3.45Å; T560-Y563 PolarHBondContact O-N 3.47Å; Y563-V565 VanDerWaalsContact C-N 3.29Å; Y563-V565 PolarHBondContact O-N 3.4Å; Y563-M566 PolarHBondContact O-N 3.12Å; Y563-D567 PolarHBondContact O-N 3.39Å; Y563-D567 VanDerWaalsContact O-N 3.13Å; Y563-Y610 HydrophobicContact CD1-CD1 4.32Å; Y563-Y610 AromaticContact CD1-CE1 3.91Å; Y563-Y610 HydrophobicContact CD1-CE1 3.91Å; Y563-Y610 HydrophobicContact CE1-CE1 4.04Å |
| 564 | N | 60.9 | Low | 61.6 | Low | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.7 | -34 | 177.6 | -132.6 | 22.1 | 0 | 0 | 0 | 112.4 | N547 T560 V561 A562 D567 I568 N616 Q675 | N547-N564 PolarHBondContact ND2-ND2 2.91Å; N547-N564 PolarHBondContact OD1-ND2 2.64Å; T560-N564 PolarHBondContact O-N 2.87Å; T560-N564 VanDerWaalsContact O-N 3.1Å; V561-N564 PolarHBondContact O-N 2.9Å; A562-N564 VanDerWaalsContact C-N 3.31Å; A562-N564 PolarHBondContact O-N 3.39Å; N564-D567 PolarHBondContact O-N 2.69Å; N564-I568 WeakPolarHBondContact O-CD1 3.46Å; N564-I568 VanDerWaalsContact O-CG1 3.28Å; N564-I568 WeakPolarHBondContact O-CG1 3.13Å; N564-I568 PolarHBondContact O-N 2.99Å; N564-N616 PolarHBondContact OD1-ND2 2.92Å; N564-Q675 PolarHBondContact OD1-NE2 3.42Å |
| 565 | V | 66.1 | Low | 63.6 | Low | 18 Ų | 18 | 41.8 Ų | 41.8 | 11% | 0.109 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -73.3 | -35.3 | 178.1 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | Y453 V561 A562 Y563 D567 I568 L569 | Y453-V565 HydrophobicContact CD1-CB 4.31Å; Y453-V565 HydrophobicContact CD1-CG1 3.81Å; Y453-V565 HydrophobicContact CE1-CB 3.94Å; Y453-V565 HydrophobicContact CE1-CG1 3.77Å; Y453-V565 HydrophobicContact CE1-CG2 3.68Å; Y453-V565 HydrophobicContact CE2-CG1 4.44Å; Y453-V565 HydrophobicContact CG-CG1 4.16Å; Y453-V565 WeakPolarHBondContact OH-CG2 3.28Å; V561-V565 HydrophobicContact CG1-CG2 4.39Å; V561-V565 WeakPolarHBondContact O-CG2 3.31Å; V561-V565 PolarHBondContact O-N 3.46Å; A562-V565 PolarHBondContact O-N 3.45Å; A562-V565 VanDerWaalsContact O-N 3.12Å; Y563-V565 VanDerWaalsContact C-N 3.29Å; Y563-V565 PolarHBondContact O-N 3.4Å; V565-D567 VanDerWaalsContact C-N 3.34Å; V565-I568 PolarHBondContact O-N 2.89Å; V565-L569 HydrophobicContact CG1-CD1 4.3Å; V565-L569 WeakPolarHBondContact O-CG 3.29Å; V565-L569 PolarHBondContact O-N 2.96Å |
| 566 | M | 68 | Low | 65.9 | Low | 20 Ų | 20 | 36.5 Ų | 36.5 | 10% | 0.099 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62 | -43.2 | 172.6 | -166.6 | 177.6 | 75.8 | 0 | 0 | 111.5 | F407 V447 H450 A562 Y563 L569 S570 | F407-M566 HydrophobicContact CD1-SD 4.21Å; F407-M566 HydrophobicContact CE1-SD 3.95Å; V447-M566 HydrophobicContact CG2-SD 4.24Å; H450-M566 HydrophobicContact CB-CB 4.29Å; H450-M566 HydrophobicContact CB-CG 4.2Å; H450-M566 PolarHBondContact CD2-N 3.03Å; A562-M566 PolarHBondContact O-N 3.23Å; A562-M566 VanDerWaalsContact O-N 3.16Å; Y563-M566 PolarHBondContact O-N 3.12Å; M566-L569 PolarHBondContact O-N 3.32Å; M566-S570 PolarHBondContact O-N 3.47Å |
| 567 | D | 67.9 | Low | 68.2 | Low | 12 Ų | 12 | 30.2 Ų | 30.2 | 6% | 0.064 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 177.4 | -70.9 | -15.3 | 0 | 0 | 0 | 111.3 | Y563 N564 V565 L569 S570 M571 | Y563-D567 PolarHBondContact O-N 3.39Å; Y563-D567 VanDerWaalsContact O-N 3.13Å; N564-D567 PolarHBondContact O-N 2.69Å; V565-D567 VanDerWaalsContact C-N 3.34Å; D567-L569 PolarHBondContact O-N 3.36Å; D567-S570 PolarHBondContact O-N 3.24Å; D567-M571 WeakPolarHBondContact O-CG 3.44Å; D567-M571 PolarHBondContact O-N 3.11Å |
| 568 | I | 75.3 | Confident | 70.5 | Confident | 10 Ų | 10 | 25.2 Ų | 25.2 | 5% | 0.051 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.6 | -48.2 | 174.4 | -74.3 | 165.6 | 0 | 0 | 0 | 111.5 | T540 E543 A544 N547 N564 V565 S570 M571 Y572 | T540-I568 HydrophobicContact CG2-CB 4.44Å; T540-I568 HydrophobicContact CG2-CG2 3.96Å; E543-I568 HydrophobicContact CG-CD1 4.27Å; E543-I568 HydrophobicContact CG-CG1 4.38Å; A544-I568 HydrophobicContact CB-CD1 4.2Å; A544-I568 HydrophobicContact CB-CG2 4.02Å; N547-I568 WeakPolarHBondContact ND2-CD1 3.46Å; N564-I568 WeakPolarHBondContact O-CD1 3.46Å; N564-I568 VanDerWaalsContact O-CG1 3.28Å; N564-I568 WeakPolarHBondContact O-CG1 3.13Å; N564-I568 PolarHBondContact O-N 2.99Å; V565-I568 PolarHBondContact O-N 2.89Å; I568-S570 VanDerWaalsContact C-N 3.28Å; I568-S570 PolarHBondContact O-N 3.09Å; I568-M571 PolarHBondContact O-N 3.24Å; I568-Y572 HydrophobicContact CG2-CD2 3.68Å; I568-Y572 HydrophobicContact CG2-CE2 3.48Å; I568-Y572 VanDerWaalsContact CG2-CE2 3.48Å; I568-Y572 VanDerWaalsContact O-CD2 3.27Å; I568-Y572 WeakPolarHBondContact O-CD2 3.11Å; I568-Y572 PolarHBondContact O-N 3.4Å |
| 569 | L | 77.8 | Confident | 72.4 | Confident | 56 Ų | 56 | 23.7 Ų | 23.7 | 29% | 0.293 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -60.7 | -40.4 | 179 | -75.2 | 171.2 | 0 | 0 | 0 | 111.3 | A449 H450 V565 M566 D567 Y572 L573 | A449-L569 HydrophobicContact CB-CD1 4.18Å; H450-L569 HydrophobicContact CB-CD1 3.97Å; V565-L569 HydrophobicContact CG1-CD1 4.3Å; V565-L569 WeakPolarHBondContact O-CG 3.29Å; V565-L569 PolarHBondContact O-N 2.96Å; M566-L569 PolarHBondContact O-N 3.32Å; D567-L569 PolarHBondContact O-N 3.36Å; L569-Y572 PolarHBondContact O-N 2.67Å; L569-L573 WeakPolarHBondContact O-CB 3.49Å; L569-L573 PolarHBondContact O-N 3.33Å |
| 570 | S | 78.3 | Confident | 74.2 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 3% | 0.028 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.4 | -40.9 | 177 | -159.9 | 0 | 0 | 0 | 0 | 112.8 | M566 D567 I568 Y572 L573 L574 E603 | M566-S570 PolarHBondContact O-N 3.47Å; D567-S570 PolarHBondContact O-N 3.24Å; I568-S570 VanDerWaalsContact C-N 3.28Å; I568-S570 PolarHBondContact O-N 3.09Å; S570-Y572 VanDerWaalsContact C-N 3.34Å; S570-Y572 PolarHBondContact O-N 3.22Å; S570-L573 WeakPolarHBondContact O-CB 3.41Å; S570-L573 PolarHBondContact O-N 3.45Å; S570-L574 WeakPolarHBondContact O-CB 3.45Å; S570-L574 PolarHBondContact O-N 2.91Å; S570-E603 VanDerWaalsContact CB-OE1 3.22Å; S570-E603 WeakPolarHBondContact CB-OE1 2.98Å; S570-E603 PolarHBondContact OG-OE1 3.24Å |
| 571 | M | 81.5 | Confident | 75.8 | Confident | 8 Ų | 8 | 23.8 Ų | 23.8 | 4% | 0.039 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.5 | -34.2 | 176.5 | -71.6 | -63.2 | 164.7 | 0 | 0 | 112.7 | T540 D567 I568 L574 S575 E603 T607 | T540-M571 HydrophobicContact CG2-CB 3.8Å; T540-M571 WeakPolarHBondContact OG1-CB 3.38Å; D567-M571 WeakPolarHBondContact O-CG 3.44Å; D567-M571 PolarHBondContact O-N 3.11Å; I568-M571 PolarHBondContact O-N 3.24Å; M571-L574 PolarHBondContact O-N 2.8Å; M571-L574 HydrophobicContact SD-CD2 3.91Å; M571-S575 WeakPolarHBondContact O-CB 3.45Å; M571-S575 PolarHBondContact O-N 3.42Å; M571-S575 PolarHBondContact O-OG 3.41Å; M571-E603 HydrophobicContact CE-CB 4.48Å; M571-T607 HydrophobicContact CE-CG2 3.88Å |
| 572 | Y | 86.3 | Confident | 77.2 | Confident | 66 Ų | 66 | 22.8 Ų | 22.8 | 26% | 0.259 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -64.4 | -46 | 170.9 | -82.8 | -53.7 | 0 | 0 | 0 | 112.6 | F537 T540 T541 A544 I568 L569 S570 L574 S575 A576 | F537-Y572 AromaticContact CD2-CD1 3.83Å; F537-Y572 HydrophobicContact CD2-CD1 3.83Å; F537-Y572 AromaticContact CD2-CE1 3.91Å; F537-Y572 HydrophobicContact CD2-CE1 3.91Å; F537-Y572 AromaticContact CE2-CD1 3.77Å; F537-Y572 HydrophobicContact CE2-CD1 3.77Å; F537-Y572 AromaticContact CE2-CE1 3.69Å; F537-Y572 HydrophobicContact CE2-CE1 3.69Å; F537-Y572 HydrophobicContact CZ-CE1 4.28Å; T540-Y572 HydrophobicContact CG2-CD1 4.09Å; T540-Y572 HydrophobicContact CG2-CD2 3.84Å; T540-Y572 HydrophobicContact CG2-CE1 4.02Å; T540-Y572 HydrophobicContact CG2-CE2 3.79Å; T540-Y572 HydrophobicContact CG2-CG 4.01Å; T541-Y572 WeakPolarHBondContact CA-OH 3.4Å; T541-Y572 WeakPolarHBondContact CB-OH 3.24Å; T541-Y572 WeakPolarHBondContact OG1-CE1 3.25Å; T541-Y572 PolarHBondContact OG1-OH 2.92Å; A544-Y572 HydrophobicContact CB-CE2 4.47Å; I568-Y572 HydrophobicContact CG2-CD2 3.68Å; I568-Y572 HydrophobicContact CG2-CE2 3.48Å; I568-Y572 VanDerWaalsContact CG2-CE2 3.48Å; I568-Y572 VanDerWaalsContact O-CD2 3.27Å; I568-Y572 WeakPolarHBondContact O-CD2 3.11Å; I568-Y572 PolarHBondContact O-N 3.4Å; L569-Y572 PolarHBondContact O-N 2.67Å; S570-Y572 VanDerWaalsContact C-N 3.34Å; S570-Y572 PolarHBondContact O-N 3.22Å; Y572-L574 VanDerWaalsContact C-N 3.31Å; Y572-L574 PolarHBondContact O-N 2.92Å; Y572-S575 WeakPolarHBondContact CA-OG 3.5Å; Y572-S575 PolarHBondContact O-N 2.91Å; Y572-S575 PolarHBondContact O-OG 3.11Å; Y572-A576 WeakPolarHBondContact O-CB 3.43Å; Y572-A576 PolarHBondContact O-N 3.39Å |
| 573 | L | 85.4 | Confident | 78.4 | Confident | 23 Ų | 23 | 27.2 Ų | 27.2 | 12% | 0.12 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.4 | -45.8 | 175.4 | 179.8 | 69.7 | 0 | 0 | 0 | 111.1 | L442 M445 L569 S570 A576 V577 L599 | L442-L573 HydrophobicContact CB-CD1 4.27Å; L442-L573 HydrophobicContact CB-CD2 3.72Å; L442-L573 HydrophobicContact CB-CG 4.38Å; L442-L573 HydrophobicContact CD2-CD1 3.97Å; L442-L573 WeakPolarHBondContact O-CD2 3.28Å; M445-L573 HydrophobicContact CE-CD1 3.46Å; M445-L573 VanDerWaalsContact CE-CD1 3.46Å; L569-L573 WeakPolarHBondContact O-CB 3.49Å; L569-L573 PolarHBondContact O-N 3.33Å; S570-L573 WeakPolarHBondContact O-CB 3.41Å; S570-L573 PolarHBondContact O-N 3.45Å; L573-A576 PolarHBondContact O-N 3.44Å; L573-V577 WeakPolarHBondContact O-CG2 3.35Å; L573-V577 PolarHBondContact O-N 2.82Å; L573-L599 HydrophobicContact CD2-CD2 4.47Å |
| 574 | L | 87.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.6 | -50.6 | 178.6 | -175.1 | 70.4 | 0 | 0 | 0 | 112 | S570 M571 Y572 A576 V577 Q578 L596 L599 L600 T682 | S570-L574 WeakPolarHBondContact O-CB 3.45Å; S570-L574 PolarHBondContact O-N 2.91Å; M571-L574 PolarHBondContact O-N 2.8Å; M571-L574 HydrophobicContact SD-CD2 3.91Å; Y572-L574 VanDerWaalsContact C-N 3.31Å; Y572-L574 PolarHBondContact O-N 2.92Å; L574-A576 VanDerWaalsContact C-N 3.34Å; L574-A576 PolarHBondContact O-N 3.07Å; L574-V577 PolarHBondContact O-N 3.41Å; L574-Q578 WeakPolarHBondContact O-CB 3.36Å; L574-Q578 PolarHBondContact O-N 3.01Å; L574-L596 HydrophobicContact CD1-CD1 4.28Å; L574-L599 HydrophobicContact CB-CD2 4.41Å; L574-L599 HydrophobicContact CD1-CB 4.19Å; L574-L599 HydrophobicContact CD1-CD2 3.71Å; L574-L600 HydrophobicContact CD1-CD2 3.64Å; L574-L600 HydrophobicContact CD1-CG 3.81Å; L574-L600 HydrophobicContact CD2-CD2 3.76Å; L574-L600 HydrophobicContact CG-CD2 3.98Å; L574-T682 HydrophobicContact CD2-CG2 4.07Å |
| 575 | S | 86.9 | Confident | 79 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.7 | -39.5 | 178.8 | 58.7 | 0 | 0 | 0 | 0 | 112 | M571 Y572 Q578 L579 | M571-S575 WeakPolarHBondContact O-CB 3.45Å; M571-S575 PolarHBondContact O-N 3.42Å; M571-S575 PolarHBondContact O-OG 3.41Å; Y572-S575 WeakPolarHBondContact CA-OG 3.5Å; Y572-S575 PolarHBondContact O-N 2.91Å; Y572-S575 PolarHBondContact O-OG 3.11Å; S575-Q578 PolarHBondContact O-N 3.44Å; S575-L579 WeakPolarHBondContact O-CB 3.36Å; S575-L579 VanDerWaalsContact O-CG 3.25Å; S575-L579 WeakPolarHBondContact O-CG 3.2Å; S575-L579 PolarHBondContact O-N 2.99Å |
| 576 | A | 87.2 | Confident | 78.6 | Confident | 56 Ų | 56 | 45.7 Ų | 45.7 | 46% | 0.463 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.2 | -46.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y572 L573 L574 L579 H580 | Y572-A576 WeakPolarHBondContact O-CB 3.43Å; Y572-A576 PolarHBondContact O-N 3.39Å; L573-A576 PolarHBondContact O-N 3.44Å; L574-A576 VanDerWaalsContact C-N 3.34Å; L574-A576 PolarHBondContact O-N 3.07Å; A576-L579 PolarHBondContact O-N 3.38Å; A576-H580 WeakPolarHBondContact O-CB 3.36Å; A576-H580 PolarHBondContact O-N 3.43Å |
| 577 | V | 86.2 | Confident | 78 | Confident | 12 Ų | 12 | 48 Ų | 48 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.1 | -43 | 176.1 | 176 | 0 | 0 | 0 | 0 | 110.5 | L442 L573 L574 L579 H580 V581 L596 | L442-V577 HydrophobicContact CD1-CG2 4.19Å; L573-V577 WeakPolarHBondContact O-CG2 3.35Å; L573-V577 PolarHBondContact O-N 2.82Å; L574-V577 PolarHBondContact O-N 3.41Å; V577-L579 PolarHBondContact O-N 3.22Å; V577-H580 WeakPolarHBondContact O-CB 3.46Å; V577-H580 PolarHBondContact O-N 3.31Å; V577-V581 HydrophobicContact CG1-CG2 4.42Å; V577-V581 VanDerWaalsContact O-CG2 3.3Å; V577-V581 WeakPolarHBondContact O-CG2 3.41Å; V577-V581 PolarHBondContact O-N 2.94Å; V577-L596 HydrophobicContact CG1-CB 4.19Å; V577-L596 HydrophobicContact CG1-CD1 4.12Å |
| 578 | Q | 87.9 | Confident | 77.6 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 179 | -165.3 | 170 | -40.7 | 0 | 0 | 112.2 | L529 A533 L574 S575 T582 L596 S685 | L529-Q578 HydrophobicContact CD1-CG 4.07Å; L529-Q578 VanDerWaalsContact CD1-NE2 3.3Å; L529-Q578 HydrophobicContact CD2-CG 4.39Å; L529-Q578 HydrophobicContact CG-CG 3.83Å; L529-Q578 PolarHBondContact O-NE2 3.32Å; A533-Q578 HydrophobicContact CB-CB 3.75Å; A533-Q578 HydrophobicContact CB-CG 3.64Å; L574-Q578 WeakPolarHBondContact O-CB 3.36Å; L574-Q578 PolarHBondContact O-N 3.01Å; S575-Q578 PolarHBondContact O-N 3.44Å; Q578-T582 WeakPolarHBondContact O-CB 3.49Å; Q578-T582 VanDerWaalsContact O-CG2 3.28Å; Q578-T582 WeakPolarHBondContact O-CG2 3.19Å; Q578-T582 PolarHBondContact O-N 3.48Å; Q578-T582 VanDerWaalsContact O-N 3.17Å; Q578-T582 PolarHBondContact O-OG1 2.78Å; Q578-L596 HydrophobicContact CB-CD1 3.86Å; Q578-L596 HydrophobicContact CB-CD2 4.28Å; Q578-L596 HydrophobicContact CG-CD1 4.26Å; Q578-L596 HydrophobicContact CG-CD2 4.01Å; Q578-S685 PolarHBondContact NE2-OG 3.07Å |
| 579 | L | 87.1 | Confident | 77 | Confident | 46 Ų | 46 | 48.5 Ų | 48.5 | 24% | 0.241 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.1 | -44.3 | 172.7 | -74.3 | 170 | 0 | 0 | 0 | 111.4 | W530 A533 V534 S575 A576 V577 V581 T582 F583 | W530-L579 HydrophobicContact CG-CD2 4.44Å; A533-L579 HydrophobicContact CB-CD2 3.78Å; A533-L579 HydrophobicContact CB-CG 3.75Å; V534-L579 HydrophobicContact CG2-CD2 3.79Å; S575-L579 WeakPolarHBondContact O-CB 3.36Å; S575-L579 VanDerWaalsContact O-CG 3.25Å; S575-L579 WeakPolarHBondContact O-CG 3.2Å; S575-L579 PolarHBondContact O-N 2.99Å; A576-L579 PolarHBondContact O-N 3.38Å; V577-L579 PolarHBondContact O-N 3.22Å; L579-V581 PolarHBondContact O-N 2.75Å; L579-T582 PolarHBondContact O-N 3.37Å; L579-T582 PolarHBondContact O-OG1 2.92Å; L579-F583 WeakPolarHBondContact O-CB 3.3Å; L579-F583 PolarHBondContact O-N 3.38Å |
| 580 | H | 83.7 | Confident | 76.4 | Confident | 74 Ų | 74 | 46 Ų | 46 | 34% | 0.343 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.9 | -45.4 | 179.4 | 179.8 | 81.1 | 0 | 0 | 0 | 112.3 | H508 A576 V577 T582 N586 | H508-H580 AromaticContact NE2-NE2 3.54Å; A576-H580 WeakPolarHBondContact O-CB 3.36Å; A576-H580 PolarHBondContact O-N 3.43Å; V577-H580 WeakPolarHBondContact O-CB 3.46Å; V577-H580 PolarHBondContact O-N 3.31Å; H580-T582 VanDerWaalsContact C-N 3.32Å; H580-T582 PolarHBondContact O-N 3.31Å; H580-N586 PolarHBondContact CE1-ND2 3.27Å; H580-N586 PolarHBondContact ND1-ND2 2.84Å; H580-N586 PolarHBondContact O-ND2 2.93Å |
| 581 | V | 79.7 | Confident | 76 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 6% | 0.055 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.4 | -33.7 | -179.7 | 174.6 | 0 | 0 | 0 | 0 | 112.1 | V577 L579 H588 P592 L593 L596 | V577-V581 HydrophobicContact CG1-CG2 4.42Å; V577-V581 VanDerWaalsContact O-CG2 3.3Å; V577-V581 WeakPolarHBondContact O-CG2 3.41Å; V577-V581 PolarHBondContact O-N 2.94Å; L579-V581 PolarHBondContact O-N 2.75Å; V581-H588 PolarHBondContact O-CE1 3.48Å; V581-H588 VanDerWaalsContact O-CE1 3.28Å; V581-H588 PolarHBondContact O-ND1 3.43Å; V581-P592 HydrophobicContact CG2-CB 3.65Å; V581-L593 HydrophobicContact CG1-CB 4.33Å; V581-L593 HydrophobicContact CG1-CD1 3.67Å; V581-L593 HydrophobicContact CG1-CG 4.03Å; V581-L596 HydrophobicContact CB-CD2 4.34Å; V581-L596 HydrophobicContact CG1-CD2 4.4Å; V581-L596 HydrophobicContact CG2-CB 4.5Å; V581-L596 HydrophobicContact CG2-CD2 4.38Å |
| 582 | T | 80.9 | Confident | 75.8 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -94.9 | -13.2 | -172.7 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | R516 L526 L529 W530 Q578 L579 H580 K584 | R516-T582 PolarHBondContact NH1-O 2.66Å; L526-T582 HydrophobicContact CD2-CG2 4.37Å; L526-T582 WeakPolarHBondContact O-CB 3.29Å; L526-T582 WeakPolarHBondContact O-CG2 3.49Å; L529-T582 HydrophobicContact CB-CG2 3.71Å; L529-T582 HydrophobicContact CD2-CG2 3.52Å; L529-T582 HydrophobicContact CG-CG2 3.65Å; W530-T582 HydrophobicContact CB-CG2 4.48Å; W530-T582 VanDerWaalsContact CD1-OG1 3.3Å; Q578-T582 WeakPolarHBondContact O-CB 3.49Å; Q578-T582 VanDerWaalsContact O-CG2 3.28Å; Q578-T582 WeakPolarHBondContact O-CG2 3.19Å; Q578-T582 PolarHBondContact O-N 3.48Å; Q578-T582 VanDerWaalsContact O-N 3.17Å; Q578-T582 PolarHBondContact O-OG1 2.78Å; L579-T582 PolarHBondContact O-N 3.37Å; L579-T582 PolarHBondContact O-OG1 2.92Å; H580-T582 VanDerWaalsContact C-N 3.32Å; H580-T582 PolarHBondContact O-N 3.31Å; T582-K584 PolarHBondContact O-N 3.48Å |
| 583 | F | 77.3 | Confident | 75.4 | Confident | 105 Ų | 105 | 42.8 Ų | 42.8 | 46% | 0.461 | 20% | 0.203 | S | C | . | . | trans | -55.5 | 130.4 | -175.5 | -163.5 | -113.9 | 0 | 0 | 0 | 113 | L579 R585 N586 | L579-F583 WeakPolarHBondContact O-CB 3.3Å; L579-F583 PolarHBondContact O-N 3.38Å; F583-R585 VanDerWaalsContact C-N 3.32Å; F583-R585 HydrophobicContact CD1-CB 4.11Å; F583-R585 HydrophobicContact CE1-CB 3.9Å; F583-R585 PolarHBondContact O-N 3.48Å; F583-N586 HydrophobicContact CB-CB 4.34Å; F583-N586 PolarHBondContact O-N 2.83Å; F583-N586 VanDerWaalsContact O-N 3.12Å | ||
| 584 | K | 66.2 | Low | 74.9 | Confident | 174 Ų | 174 | 42.1 Ų | 42.1 | 76% | 0.757 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -34.4 | -170.2 | -74.5 | -177 | 179 | 176.3 | 0 | 114.4 | T582 | T582-K584 PolarHBondContact O-N 3.48Š|
| 585 | R | 61.6 | Low | 74.6 | Confident | 228 Ų | 228 | 42.1 Ų | 42.1 | 86% | 0.86 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -11 | -179.4 | -81.9 | -175 | 172.3 | 169 | -1.7 | 113.8 | F583 | F583-R585 VanDerWaalsContact C-N 3.32Å; F583-R585 HydrophobicContact CD1-CB 4.11Å; F583-R585 HydrophobicContact CE1-CB 3.9Å; F583-R585 PolarHBondContact O-N 3.48Å |
| 586 | N | 58.6 | Low | 74.5 | Confident | 54 Ų | 54 | 42.1 Ų | 42.1 | 29% | 0.289 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -78.6 | 134.7 | 177.1 | -86.5 | -13.2 | 0 | 0 | 0 | 109.7 | H580 F583 H588 | H580-N586 PolarHBondContact CE1-ND2 3.27Å; H580-N586 PolarHBondContact ND1-ND2 2.84Å; H580-N586 PolarHBondContact O-ND2 2.93Å; F583-N586 HydrophobicContact CB-CB 4.34Å; F583-N586 PolarHBondContact O-N 2.83Å; F583-N586 VanDerWaalsContact O-N 3.12Å; N586-H588 PolarHBondContact O-N 3.48Å |
| 587 | N | 54.5 | Low | 74.2 | Confident | 68 Ų | 68 | 41.9 Ų | 41.9 | 36% | 0.364 | 19% | 0.189 | S | C | . | . | P | Polyproline II helix | trans | -60.8 | 130.6 | 165.2 | -68.1 | -58.5 | 0 | 0 | 0 | 107.7 | R513 F589 | R513-N587 HydrophobicContact CG-CB 3.93Å; R513-N587 PolarHBondContact NE-ND2 3.01Å; R513-N587 PolarHBondContact NH1-ND2 3.28Å; R513-N587 PolarHBondContact NH2-ND2 3.47Å; N587-F589 HydrophobicContact CB-CD2 4.44Å; N587-F589 HydrophobicContact CB-CE2 3.65Å; N587-F589 HydrophobicContact CB-CZ 3.76Å; N587-F589 WeakPolarHBondContact O-CD2 3.42Å; N587-F589 WeakPolarHBondContact O-CE2 3.48Å; N587-F589 PolarHBondContact O-N 2.91Å |
| 588 | H | 60.2 | Low | 73.7 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 119.6 | 177.6 | -69 | -56.1 | 0 | 0 | 0 | 109.3 | I514 R516 V581 N586 | I514-H588 HydrophobicContact CB-CB 4.23Å; I514-H588 PolarHBondContact N-O 3.47Å; R516-H588 WeakPolarHBondContact CD-NE2 3.37Å; R516-H588 WeakPolarHBondContact CG-NE2 3.19Å; R516-H588 VanDerWaalsContact CZ-NE2 3.32Å; R516-H588 PolarHBondContact NE-NE2 3.36Å; R516-H588 PolarHBondContact NH1-CE1 3.01Å; R516-H588 PolarHBondContact NH1-NE2 2.82Å; V581-H588 PolarHBondContact O-CE1 3.48Å; V581-H588 VanDerWaalsContact O-CE1 3.28Å; V581-H588 PolarHBondContact O-ND1 3.43Å; N586-H588 PolarHBondContact O-N 3.48Å |
| 589 | F | 62.4 | Low | 73.3 | Confident | 24 Ų | 24 | 43.3 Ų | 43.3 | 11% | 0.105 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 129.6 | 173.3 | -63.3 | -78.9 | 0 | 0 | 0 | 107.2 | H508 S511 R513 N587 F591 P592 | H508-F589 AromaticContact CE1-CD2 3.04Å; H508-F589 WeakPolarHBondContact CE1-CD2 3.14Å; H508-F589 AromaticContact CE1-CE2 3.07Å; H508-F589 WeakPolarHBondContact CE1-CE2 3.45Å; H508-F589 AromaticContact CE1-CG 3.94Å; H508-F589 AromaticContact CE1-CZ 3.94Å; H508-F589 AromaticContact ND1-CD2 3.09Å; H508-F589 WeakPolarHBondContact ND1-CD2 3.48Å; H508-F589 AromaticContact ND1-CE1 3.82Å; H508-F589 AromaticContact ND1-CE2 2.86Å; H508-F589 WeakPolarHBondContact ND1-CE2 3.49Å; H508-F589 AromaticContact ND1-CG 3.7Å; H508-F589 AromaticContact ND1-CZ 3.24Å; H508-F589 WeakPolarHBondContact ND1-CZ 3.44Å; H508-F589 WeakPolarHBondContact O-CE1 3.39Å; S511-F589 VanDerWaalsContact CB-CD1 3.5Å; S511-F589 WeakPolarHBondContact OG-CA 3.43Å; S511-F589 WeakPolarHBondContact OG-CB 3.49Å; S511-F589 WeakPolarHBondContact OG-CD1 3.32Å; R513-F589 HydrophobicContact CG-CE1 3.87Å; R513-F589 HydrophobicContact CG-CZ 4.2Å; N587-F589 HydrophobicContact CB-CD2 4.44Å; N587-F589 HydrophobicContact CB-CE2 3.65Å; N587-F589 HydrophobicContact CB-CZ 3.76Å; N587-F589 WeakPolarHBondContact O-CD2 3.42Å; N587-F589 WeakPolarHBondContact O-CE2 3.48Å; N587-F589 PolarHBondContact O-N 2.91Å; F589-F591 PolarHBondContact O-N 3.24Å; F589-P592 VanDerWaalsContact CB-CD 3.45Å; F589-P592 HydrophobicContact CB-CG 3.83Å; F589-P592 WeakPolarHBondContact O-CD 3.41Å |
| 590 | A | 65.8 | Low | 73 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.033 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.5 | -30.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S511 I514 L593 I594 | S511-A590 PolarHBondContact OG-N 3.17Å; I514-A590 HydrophobicContact CD1-CB 4.3Å; A590-L593 VanDerWaalsContact O-CB 3.29Å; A590-L593 WeakPolarHBondContact O-CB 3.31Å; A590-L593 PolarHBondContact O-N 3.31Å; A590-I594 PolarHBondContact O-N 3.47Å |
| 591 | F | 70 | Confident | 72.5 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67 | -51.5 | -176.7 | -108 | -87.4 | 0 | 0 | 0 | 115.1 | D431 L434 A435 M507 F589 L593 I594 V595 | D431-F591 HydrophobicContact CB-CE1 4.05Å; D431-F591 HydrophobicContact CB-CE2 3.85Å; D431-F591 HydrophobicContact CB-CZ 3.2Å; D431-F591 VanDerWaalsContact CG-CZ 3.43Å; D431-F591 WeakPolarHBondContact O-CE1 3.31Å; D431-F591 WeakPolarHBondContact OD2-CE2 3.48Å; D431-F591 WeakPolarHBondContact OD2-CZ 3.31Å; L434-F591 HydrophobicContact CB-CE1 4.35Å; L434-F591 HydrophobicContact CD2-CE1 4.32Å; A435-F591 HydrophobicContact CB-CD1 4.18Å; A435-F591 HydrophobicContact CB-CE1 4.28Å; M507-F591 HydrophobicContact CB-CB 4.18Å; M507-F591 HydrophobicContact CB-CD1 4.23Å; M507-F591 HydrophobicContact CB-CG 4.33Å; M507-F591 HydrophobicContact CG-CD1 3.75Å; M507-F591 HydrophobicContact CG-CE1 3.99Å; M507-F591 HydrophobicContact CG-CG 4.34Å; M507-F591 HydrophobicContact SD-CB 4.36Å; M507-F591 HydrophobicContact SD-CD1 3.62Å; M507-F591 HydrophobicContact SD-CE1 4.19Å; M507-F591 HydrophobicContact SD-CG 4.42Å; F589-F591 PolarHBondContact O-N 3.24Å; F591-L593 PolarHBondContact O-N 3Å; F591-L593 VanDerWaalsContact O-N 3.14Å; F591-I594 WeakPolarHBondContact O-CA 3.41Å; F591-I594 WeakPolarHBondContact O-CB 3.17Å; F591-I594 PolarHBondContact O-N 2.81Å; F591-V595 PolarHBondContact O-N 3.31Å |
| 592 | P | 75.8 | Confident | 72.1 | Confident | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.2 | -29.4 | 171.8 | -32.2 | 38.6 | 0 | 0 | 0 | 113.7 | V581 F589 V595 L596 | V581-P592 HydrophobicContact CG2-CB 3.65Å; F589-P592 VanDerWaalsContact CB-CD 3.45Å; F589-P592 HydrophobicContact CB-CG 3.83Å; F589-P592 WeakPolarHBondContact O-CD 3.41Å; P592-V595 PolarHBondContact O-N 2.91Å; P592-L596 WeakPolarHBondContact O-CB 3.44Å; P592-L596 PolarHBondContact O-N 3.47Å |
| 593 | L | 77.7 | Confident | 71.7 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.7 | -35.6 | 175.5 | -140.6 | 130.1 | 0 | 0 | 0 | 111.7 | L526 V581 A590 F591 F597 V689 F693 | L526-L593 HydrophobicContact CD2-CD1 4.03Å; V581-L593 HydrophobicContact CG1-CB 4.33Å; V581-L593 HydrophobicContact CG1-CD1 3.67Å; V581-L593 HydrophobicContact CG1-CG 4.03Å; A590-L593 VanDerWaalsContact O-CB 3.29Å; A590-L593 WeakPolarHBondContact O-CB 3.31Å; A590-L593 PolarHBondContact O-N 3.31Å; F591-L593 PolarHBondContact O-N 3Å; F591-L593 VanDerWaalsContact O-N 3.14Å; L593-F597 WeakPolarHBondContact O-CB 3.3Å; L593-F597 PolarHBondContact O-N 3.4Å; L593-V689 HydrophobicContact CD2-CG1 3.74Å; L593-V689 HydrophobicContact CG-CG1 4.39Å; L593-F693 HydrophobicContact CB-CE1 3.94Å; L593-F693 HydrophobicContact CB-CZ 4.3Å; L593-F693 HydrophobicContact CD2-CD1 3.63Å; L593-F693 HydrophobicContact CD2-CE1 3.35Å; L593-F693 HydrophobicContact CD2-CE2 4.28Å; L593-F693 HydrophobicContact CD2-CG 4.22Å; L593-F693 HydrophobicContact CD2-CZ 3.68Å; L593-F693 HydrophobicContact CG-CE1 4.25Å; L593-F693 WeakPolarHBondContact O-CZ 3.46Å |
| 594 | I | 74.9 | Confident | 71.2 | Confident | 10 Ų | 10 | 36.1 Ų | 36.1 | 5% | 0.051 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.6 | -44.5 | 172 | -65.3 | 174.8 | 0 | 0 | 0 | 111.5 | L354 W356 A357 A435 A590 F591 L596 F597 F598 F693 | L354-I594 HydrophobicContact CD2-CD1 4.16Å; W356-I594 HydrophobicContact CH2-CD1 4.27Å; W356-I594 HydrophobicContact CH2-CG1 4.42Å; A357-I594 HydrophobicContact CB-CD1 3.34Å; A435-I594 HydrophobicContact CB-CG2 3.85Å; A590-I594 PolarHBondContact O-N 3.47Å; F591-I594 WeakPolarHBondContact O-CA 3.41Å; F591-I594 WeakPolarHBondContact O-CB 3.17Å; F591-I594 PolarHBondContact O-N 2.81Å; I594-L596 VanDerWaalsContact C-N 3.31Å; I594-L596 PolarHBondContact O-N 3.12Å; I594-F597 WeakPolarHBondContact O-CB 3.32Å; I594-F597 PolarHBondContact O-N 3.14Å; I594-F598 HydrophobicContact CG2-CD2 3.69Å; I594-F598 HydrophobicContact CG2-CE2 3.43Å; I594-F598 VanDerWaalsContact CG2-CE2 3.43Å; I594-F598 VanDerWaalsContact O-CD2 3.26Å; I594-F598 WeakPolarHBondContact O-CD2 3.4Å; I594-F598 PolarHBondContact O-N 3.16Å; I594-F598 VanDerWaalsContact O-N 3.07Å; I594-F693 HydrophobicContact CB-CZ 4.29Å; I594-F693 HydrophobicContact CG1-CE1 3.6Å; I594-F693 HydrophobicContact CG1-CZ 3.64Å |
| 595 | V | 80.9 | Confident | 70.8 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.1 | -49.1 | 174.1 | 175.6 | 0 | 0 | 0 | 0 | 109.7 | A435 T438 V439 L442 M507 F591 P592 F597 F598 L599 | A435-V595 HydrophobicContact CB-CG2 3.95Å; T438-V595 HydrophobicContact CG2-CG1 4.08Å; T438-V595 HydrophobicContact CG2-CG2 4.3Å; V439-V595 HydrophobicContact CG2-CB 4.44Å; V439-V595 HydrophobicContact CG2-CG1 3.89Å; L442-V595 HydrophobicContact CD1-CG1 4.24Å; M507-V595 HydrophobicContact CE-CG2 3.99Å; M507-V595 HydrophobicContact SD-CG2 3.8Å; F591-V595 PolarHBondContact O-N 3.31Å; P592-V595 PolarHBondContact O-N 2.91Å; V595-F597 VanDerWaalsContact C-N 3.33Å; V595-F597 PolarHBondContact O-N 3.29Å; V595-F598 PolarHBondContact O-N 3.43Å; V595-L599 HydrophobicContact CG1-CD1 4.31Å; V595-L599 WeakPolarHBondContact O-CB 3.28Å; V595-L599 PolarHBondContact O-N 2.87Å |
| 596 | L | 85.4 | Confident | 70.6 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59 | -42 | 177.5 | 178.4 | 64.1 | 0 | 0 | 0 | 112.3 | L529 L574 V577 Q578 V581 P592 I594 L599 L600 V689 | L529-L596 HydrophobicContact CD2-CD2 3.99Å; L574-L596 HydrophobicContact CD1-CD1 4.28Å; V577-L596 HydrophobicContact CG1-CB 4.19Å; V577-L596 HydrophobicContact CG1-CD1 4.12Å; Q578-L596 HydrophobicContact CB-CD1 3.86Å; Q578-L596 HydrophobicContact CB-CD2 4.28Å; Q578-L596 HydrophobicContact CG-CD1 4.26Å; Q578-L596 HydrophobicContact CG-CD2 4.01Å; V581-L596 HydrophobicContact CB-CD2 4.34Å; V581-L596 HydrophobicContact CG1-CD2 4.4Å; V581-L596 HydrophobicContact CG2-CB 4.5Å; V581-L596 HydrophobicContact CG2-CD2 4.38Å; P592-L596 WeakPolarHBondContact O-CB 3.44Å; P592-L596 PolarHBondContact O-N 3.47Å; I594-L596 VanDerWaalsContact C-N 3.31Å; I594-L596 PolarHBondContact O-N 3.12Å; L596-L599 PolarHBondContact O-N 2.89Å; L596-L600 HydrophobicContact CD1-CD1 3.89Å; L596-L600 HydrophobicContact CD1-CG 3.94Å; L596-L600 HydrophobicContact CD2-CD1 4.41Å; L596-L600 HydrophobicContact CG-CD1 3.74Å; L596-L600 HydrophobicContact CG-CG 4.26Å; L596-L600 VanDerWaalsContact O-CB 3.32Å; L596-L600 WeakPolarHBondContact O-CB 3.24Å; L596-L600 VanDerWaalsContact O-CG 3.26Å; L596-L600 WeakPolarHBondContact O-CG 3.35Å; L596-L600 PolarHBondContact O-N 2.8Å; L596-V689 HydrophobicContact CD2-CG2 3.71Å; L596-V689 HydrophobicContact CG-CG2 4.14Å |
| 597 | F | 80.9 | Confident | 70.2 | Confident | 50 Ų | 50 | 18.7 Ų | 18.7 | 22% | 0.219 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.9 | -49.8 | 177.2 | 177 | -101.4 | 0 | 0 | 0 | 112.2 | L593 I594 V595 L599 L600 L601 V686 V689 A690 F693 | L593-F597 WeakPolarHBondContact O-CB 3.3Å; L593-F597 PolarHBondContact O-N 3.4Å; I594-F597 WeakPolarHBondContact O-CB 3.32Å; I594-F597 PolarHBondContact O-N 3.14Å; V595-F597 VanDerWaalsContact C-N 3.33Å; V595-F597 PolarHBondContact O-N 3.29Å; F597-L599 VanDerWaalsContact C-N 3.34Å; F597-L600 PolarHBondContact O-N 2.87Å; F597-L601 HydrophobicContact CE1-CD2 4.31Å; F597-L601 VanDerWaalsContact O-CB 3.26Å; F597-L601 WeakPolarHBondContact O-CB 3.41Å; F597-L601 PolarHBondContact O-N 3.24Å; F597-V686 HydrophobicContact CE2-CG1 4.1Å; F597-V689 HydrophobicContact CB-CG1 3.68Å; F597-V689 HydrophobicContact CD2-CG1 4.05Å; F597-V689 HydrophobicContact CG-CG1 4.35Å; F597-A690 HydrophobicContact CE2-CB 4.45Å; F597-F693 HydrophobicContact CB-CE2 3.6Å; F597-F693 HydrophobicContact CB-CZ 3.93Å; F597-F693 HydrophobicContact CD1-CE2 4.45Å; F597-F693 AromaticContact CD2-CE2 3.95Å; F597-F693 HydrophobicContact CD2-CE2 3.95Å; F597-F693 AromaticContact CG-CE2 3.74Å; F597-F693 HydrophobicContact CG-CE2 3.74Å; F597-F693 HydrophobicContact CG-CZ 4.5Å |
| 598 | F | 75.1 | Confident | 69.7 | Low | 42 Ų | 42 | 17.4 Ų | 17.4 | 18% | 0.184 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.6 | -35.8 | 179.8 | -74.3 | -56.8 | 0 | 0 | 0 | 112.2 | I432 L436 V439 I594 V595 L601 F602 | I432-F598 HydrophobicContact CD1-CE2 4.11Å; I432-F598 HydrophobicContact CD1-CZ 3.99Å; I432-F598 HydrophobicContact CG1-CE2 4.13Å; I432-F598 HydrophobicContact CG1-CZ 4.45Å; L436-F598 HydrophobicContact CD2-CD1 4.4Å; L436-F598 HydrophobicContact CD2-CD2 4.1Å; L436-F598 HydrophobicContact CD2-CE2 4.22Å; L436-F598 HydrophobicContact CD2-CG 4.2Å; L436-F598 HydrophobicContact CD2-CZ 4.45Å; V439-F598 HydrophobicContact CG2-CB 3.79Å; I594-F598 HydrophobicContact CG2-CD2 3.69Å; I594-F598 HydrophobicContact CG2-CE2 3.43Å; I594-F598 VanDerWaalsContact CG2-CE2 3.43Å; I594-F598 VanDerWaalsContact O-CD2 3.26Å; I594-F598 WeakPolarHBondContact O-CD2 3.4Å; I594-F598 PolarHBondContact O-N 3.16Å; I594-F598 VanDerWaalsContact O-N 3.07Å; V595-F598 PolarHBondContact O-N 3.43Å; F598-L601 PolarHBondContact O-N 3.45Å; F598-F602 VanDerWaalsContact O-CB 3.23Å; F598-F602 WeakPolarHBondContact O-CB 3.36Å; F598-F602 PolarHBondContact O-N 3.23Å |
| 599 | L | 80.4 | Confident | 68.7 | Low | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66 | -45.2 | 176.4 | -131.8 | 125.6 | 0 | 0 | 0 | 111.6 | V439 L442 M443 L573 L574 V595 L596 F597 F602 E603 | V439-L599 HydrophobicContact CB-CD1 4.43Å; V439-L599 HydrophobicContact CG1-CD1 4.13Å; V439-L599 HydrophobicContact CG1-CG 4.35Å; V439-L599 HydrophobicContact CG2-CD1 4.36Å; L442-L599 HydrophobicContact CB-CD1 4.21Å; L442-L599 HydrophobicContact CD1-CD1 3.69Å; M443-L599 HydrophobicContact CE-CD2 3.72Å; M443-L599 HydrophobicContact CE-CG 3.65Å; L573-L599 HydrophobicContact CD2-CD2 4.47Å; L574-L599 HydrophobicContact CB-CD2 4.41Å; L574-L599 HydrophobicContact CD1-CB 4.19Å; L574-L599 HydrophobicContact CD1-CD2 3.71Å; V595-L599 HydrophobicContact CG1-CD1 4.31Å; V595-L599 WeakPolarHBondContact O-CB 3.28Å; V595-L599 PolarHBondContact O-N 2.87Å; L596-L599 PolarHBondContact O-N 2.89Å; F597-L599 VanDerWaalsContact C-N 3.34Å; L599-F602 PolarHBondContact O-N 3.44Å; L599-E603 PolarHBondContact O-N 3.01Å |
| 600 | L | 81.2 | Confident | 67.8 | Low | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64 | -42.5 | 175 | -75.3 | 166.7 | 0 | 0 | 0 | 111.6 | L574 L596 F597 F602 E603 V604 T682 V686 V689 | L574-L600 HydrophobicContact CD1-CD2 3.64Å; L574-L600 HydrophobicContact CD1-CG 3.81Å; L574-L600 HydrophobicContact CD2-CD2 3.76Å; L574-L600 HydrophobicContact CG-CD2 3.98Å; L596-L600 HydrophobicContact CD1-CD1 3.89Å; L596-L600 HydrophobicContact CD1-CG 3.94Å; L596-L600 HydrophobicContact CD2-CD1 4.41Å; L596-L600 HydrophobicContact CG-CD1 3.74Å; L596-L600 HydrophobicContact CG-CG 4.26Å; L596-L600 VanDerWaalsContact O-CB 3.32Å; L596-L600 WeakPolarHBondContact O-CB 3.24Å; L596-L600 VanDerWaalsContact O-CG 3.26Å; L596-L600 WeakPolarHBondContact O-CG 3.35Å; L596-L600 PolarHBondContact O-N 2.8Å; F597-L600 PolarHBondContact O-N 2.87Å; L600-F602 VanDerWaalsContact C-N 3.35Å; L600-E603 PolarHBondContact O-N 2.9Å; L600-V604 VanDerWaalsContact O-CG2 3.32Å; L600-V604 WeakPolarHBondContact O-CG2 3.14Å; L600-V604 PolarHBondContact O-N 3.34Å; L600-T682 HydrophobicContact CD2-CG2 3.68Å; L600-V686 HydrophobicContact CB-CG2 3.52Å; L600-V686 HydrophobicContact CG-CG2 4.47Å; L600-V689 HydrophobicContact CD1-CB 4.44Å; L600-V689 HydrophobicContact CD1-CG2 3.76Å |
| 601 | L | 73.6 | Confident | 66.5 | Low | 40 Ų | 40 | 22.5 Ų | 22.5 | 21% | 0.209 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 177.7 | -175.4 | 71.4 | 0 | 0 | 0 | 110.7 | F597 F598 E603 V604 L605 | F597-L601 HydrophobicContact CE1-CD2 4.31Å; F597-L601 VanDerWaalsContact O-CB 3.26Å; F597-L601 WeakPolarHBondContact O-CB 3.41Å; F597-L601 PolarHBondContact O-N 3.24Å; F598-L601 PolarHBondContact O-N 3.45Å; L601-E603 VanDerWaalsContact C-N 3.34Å; L601-V604 PolarHBondContact O-N 3.05Å; L601-L605 HydrophobicContact CG-CD1 4.14Å; L601-L605 VanDerWaalsContact O-CG 3.27Å; L601-L605 WeakPolarHBondContact O-CG 3.46Å; L601-L605 PolarHBondContact O-N 3.3Å; L601-L605 VanDerWaalsContact O-N 3.14Å |
| 602 | F | 70.9 | Confident | 65.1 | Low | 21 Ų | 21 | 22.8 Ų | 22.8 | 9% | 0.092 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.3 | -51.6 | 175.1 | -174.6 | -93.5 | 0 | 0 | 0 | 109.7 | F295 Y414 M443 F598 L599 L600 V604 L605 T606 | F295-F602 HydrophobicContact CE1-CZ 4.32Å; F295-F602 HydrophobicContact CE2-CE2 4.1Å; F295-F602 HydrophobicContact CZ-CD2 4.5Å; F295-F602 AromaticContact CZ-CE2 3.5Å; F295-F602 HydrophobicContact CZ-CE2 3.5Å; F295-F602 VanDerWaalsContact CZ-CE2 3.5Å; F295-F602 AromaticContact CZ-CZ 3.6Å; F295-F602 HydrophobicContact CZ-CZ 3.6Å; Y414-F602 HydrophobicContact CE1-CZ 4.09Å; Y414-F602 AromaticContact CZ-CZ 3.98Å; Y414-F602 VanDerWaalsContact OH-CZ 3.29Å; Y414-F602 WeakPolarHBondContact OH-CZ 3.31Å; M443-F602 HydrophobicContact CE-CB 4.44Å; M443-F602 HydrophobicContact CE-CD1 3.42Å; M443-F602 VanDerWaalsContact CE-CD1 3.42Å; M443-F602 HydrophobicContact CE-CE1 3.95Å; M443-F602 HydrophobicContact CE-CG 4.18Å; M443-F602 HydrophobicContact CG-CE1 4.37Å; M443-F602 HydrophobicContact SD-CD1 3.77Å; M443-F602 HydrophobicContact SD-CE1 3.62Å; F598-F602 VanDerWaalsContact O-CB 3.23Å; F598-F602 WeakPolarHBondContact O-CB 3.36Å; F598-F602 PolarHBondContact O-N 3.23Å; L599-F602 PolarHBondContact O-N 3.44Å; L600-F602 VanDerWaalsContact C-N 3.35Å; F602-V604 PolarHBondContact O-N 3.06Å; F602-L605 CarbonylContact O-C 3.51Å; F602-L605 WeakPolarHBondContact O-CB 3.49Å; F602-L605 PolarHBondContact O-N 3.09Å; F602-L605 VanDerWaalsContact O-N 3.07Å; F602-T606 HydrophobicContact CD1-CG2 3.95Å; F602-T606 HydrophobicContact CD2-CG2 4.31Å; F602-T606 HydrophobicContact CE1-CG2 3.55Å; F602-T606 HydrophobicContact CE2-CG2 3.96Å; F602-T606 HydrophobicContact CG-CG2 4.32Å; F602-T606 HydrophobicContact CZ-CG2 3.56Å; F602-T606 PolarHBondContact O-N 2.9Å; F602-T606 PolarHBondContact O-OG1 3.24Å |
| 603 | E | 71.5 | Confident | 63.5 | Low | 10 Ų | 10 | 23 Ų | 23 | 5% | 0.047 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | -179.7 | -81.5 | -50.8 | 167.1 | 0 | 0 | 114.4 | S570 M571 L599 L600 L601 L605 T606 T607 | S570-E603 VanDerWaalsContact CB-OE1 3.22Å; S570-E603 WeakPolarHBondContact CB-OE1 2.98Å; S570-E603 PolarHBondContact OG-OE1 3.24Å; M571-E603 HydrophobicContact CE-CB 4.48Å; L599-E603 PolarHBondContact O-N 3.01Å; L600-E603 PolarHBondContact O-N 2.9Å; L601-E603 VanDerWaalsContact C-N 3.34Å; E603-L605 PolarHBondContact O-N 3.08Å; E603-L605 VanDerWaalsContact O-N 3.09Å; E603-T606 WeakPolarHBondContact CA-OG1 3.13Å; E603-T606 PolarHBondContact O-N 3.06Å; E603-T606 PolarHBondContact OE2-OG1 2.63Å; E603-T607 WeakPolarHBondContact O-CA 3.45Å; E603-T607 WeakPolarHBondContact O-CB 3.19Å; E603-T607 PolarHBondContact O-N 3.47Å; E603-T607 PolarHBondContact O-OG1 3.2Å; E603-T607 PolarHBondContact OE2-N 3.23Å; E603-T607 PolarHBondContact OE2-OG1 3.08Å |
| 604 | V | 67.4 | Low | 61.9 | Low | 15 Ų | 15 | 29.7 Ų | 29.7 | 9% | 0.091 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.9 | -32.4 | 175.3 | 172 | 0 | 0 | 0 | 0 | 111.8 | L600 L601 F602 T682 V683 V686 | L600-V604 VanDerWaalsContact O-CG2 3.32Å; L600-V604 WeakPolarHBondContact O-CG2 3.14Å; L600-V604 PolarHBondContact O-N 3.34Å; L601-V604 PolarHBondContact O-N 3.05Å; F602-V604 PolarHBondContact O-N 3.06Å; V604-T682 HydrophobicContact CG2-CG2 3.58Å; V604-V683 HydrophobicContact CG1-CG2 4.09Å; V604-V683 HydrophobicContact CG2-CG2 4.06Å; V604-V686 HydrophobicContact CG2-CG2 3.92Å |
| 605 | L | 58 | Low | 60.4 | Low | 72 Ų | 72 | 30 Ų | 30 | 38% | 0.377 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -82 | -39.1 | 177.3 | -65.5 | 170.8 | 0 | 0 | 0 | 112.8 | M291 L601 F602 E603 | M291-L605 HydrophobicContact SD-CD1 4.31Å; L601-L605 HydrophobicContact CG-CD1 4.14Å; L601-L605 VanDerWaalsContact O-CG 3.27Å; L601-L605 WeakPolarHBondContact O-CG 3.46Å; L601-L605 PolarHBondContact O-N 3.3Å; L601-L605 VanDerWaalsContact O-N 3.14Å; F602-L605 CarbonylContact O-C 3.51Å; F602-L605 WeakPolarHBondContact O-CB 3.49Å; F602-L605 PolarHBondContact O-N 3.09Å; F602-L605 VanDerWaalsContact O-N 3.07Å; E603-L605 PolarHBondContact O-N 3.08Å; E603-L605 VanDerWaalsContact O-N 3.09Å |
| 606 | T | 56.9 | Low | 58.7 | Low | 9 Ų | 9 | 30.2 Ų | 30.2 | 6% | 0.055 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -85.9 | -48.6 | -177 | 49.4 | 0 | 0 | 0 | 0 | 113.2 | F295 F602 E603 Y608 N609 Y610 | F295-T606 HydrophobicContact CE1-CG2 3.9Å; F295-T606 HydrophobicContact CE2-CG2 3.86Å; F295-T606 HydrophobicContact CZ-CG2 3.24Å; F602-T606 HydrophobicContact CD1-CG2 3.95Å; F602-T606 HydrophobicContact CD2-CG2 4.31Å; F602-T606 HydrophobicContact CE1-CG2 3.55Å; F602-T606 HydrophobicContact CE2-CG2 3.96Å; F602-T606 HydrophobicContact CG-CG2 4.32Å; F602-T606 HydrophobicContact CZ-CG2 3.56Å; F602-T606 PolarHBondContact O-N 2.9Å; F602-T606 PolarHBondContact O-OG1 3.24Å; E603-T606 WeakPolarHBondContact CA-OG1 3.13Å; E603-T606 PolarHBondContact O-N 3.06Å; E603-T606 PolarHBondContact OE2-OG1 2.63Å; T606-Y608 PolarHBondContact O-N 3.23Å; T606-Y608 VanDerWaalsContact O-N 3.12Å; T606-N609 WeakPolarHBondContact O-CB 3.48Å; T606-N609 PolarHBondContact O-N 2.82Å; T606-Y610 WeakPolarHBondContact O-CD2 3.02Å; T606-Y610 PolarHBondContact O-N 3.5Å |
| 607 | T | 50.2 | Low | 57 | Low | 9 Ų | 9 | 31.3 Ų | 31.3 | 6% | 0.055 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.6 | -21.1 | 179.5 | -19.6 | 0 | 0 | 0 | 0 | 111.4 | M571 E603 Y610 L611 | M571-T607 HydrophobicContact CE-CG2 3.88Å; E603-T607 WeakPolarHBondContact O-CA 3.45Å; E603-T607 WeakPolarHBondContact O-CB 3.19Å; E603-T607 PolarHBondContact O-N 3.47Å; E603-T607 PolarHBondContact O-OG1 3.2Å; E603-T607 PolarHBondContact OE2-N 3.23Å; E603-T607 PolarHBondContact OE2-OG1 3.08Å; T607-Y610 CarbonylContact O-C 3.5Å; T607-Y610 PolarHBondContact O-N 3.41Å; T607-L611 HydrophobicContact CG2-CD1 3.87Å; T607-L611 WeakPolarHBondContact O-CB 3.38Å; T607-L611 WeakPolarHBondContact O-CD1 3.35Å; T607-L611 PolarHBondContact O-N 2.98Å |
| 608 | Y | 44.1 | Very low | 55.4 | Low | 41 Ų | 41 | 29.2 Ų | 29.2 | 16% | 0.161 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -77.5 | -37.9 | 172.1 | -157.2 | -84.2 | 0 | 0 | 0 | 113.1 | R70 P73 A74 T606 Y610 W679 | R70-Y608 WeakPolarHBondContact O-CE1 3.43Å; P73-Y608 WeakPolarHBondContact CB-OH 3.33Å; P73-Y608 HydrophobicContact CG-CE1 4.4Å; P73-Y608 WeakPolarHBondContact CG-OH 3.26Å; A74-Y608 WeakPolarHBondContact CA-OH 3.41Å; A74-Y608 HydrophobicContact CB-CD1 3.18Å; A74-Y608 HydrophobicContact CB-CD2 3.84Å; A74-Y608 HydrophobicContact CB-CE1 2.98Å; A74-Y608 HydrophobicContact CB-CE2 3.66Å; A74-Y608 HydrophobicContact CB-CG 3.6Å; A74-Y608 PolarHBondContact N-OH 3.46Å; T606-Y608 PolarHBondContact O-N 3.23Å; T606-Y608 VanDerWaalsContact O-N 3.12Å; Y608-Y610 PolarHBondContact O-N 3.35Å; Y608-W679 AromaticContact CD2-NE1 3.78Å |
| 609 | N | 40.4 | Very low | 54.2 | Low | 57 Ų | 57 | 28 Ų | 28 | 31% | 0.305 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -61.3 | -28.5 | 169.6 | -82.7 | -27.4 | 0 | 0 | 0 | 111.1 | T606 S612 | T606-N609 WeakPolarHBondContact O-CB 3.48Å; T606-N609 PolarHBondContact O-N 2.82Å; N609-S612 PolarHBondContact O-OG 2.88Å |
| 610 | Y | 41.9 | Very low | 52.9 | Low | 65 Ų | 65 | 29.2 Ų | 29.2 | 26% | 0.255 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -102.9 | -15.8 | -178.6 | -78.2 | -79.3 | 0 | 0 | 0 | 116.9 | Y563 T606 T607 Y608 S612 S613 | Y563-Y610 HydrophobicContact CD1-CD1 4.32Å; Y563-Y610 AromaticContact CD1-CE1 3.91Å; Y563-Y610 HydrophobicContact CD1-CE1 3.91Å; Y563-Y610 HydrophobicContact CE1-CE1 4.04Å; T606-Y610 WeakPolarHBondContact O-CD2 3.02Å; T606-Y610 PolarHBondContact O-N 3.5Å; T607-Y610 CarbonylContact O-C 3.5Å; T607-Y610 PolarHBondContact O-N 3.41Å; Y608-Y610 PolarHBondContact O-N 3.35Å; Y610-S612 PolarHBondContact O-N 2.95Å; Y610-S613 VanDerWaalsContact O-CA 3.3Å; Y610-S613 WeakPolarHBondContact O-CA 3.08Å; Y610-S613 WeakPolarHBondContact O-CB 3.29Å; Y610-S613 PolarHBondContact O-N 2.96Å; Y610-S613 PolarHBondContact O-OG 3.27Å |
| 611 | L | 40.1 | Very low | 51.5 | Low | 22 Ų | 22 | 29.3 Ų | 29.3 | 12% | 0.115 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.1 | -20 | 163.1 | -117.3 | 89.9 | 0 | 0 | 0 | 110 | T607 Q675 L676 | T607-L611 HydrophobicContact CG2-CD1 3.87Å; T607-L611 WeakPolarHBondContact O-CB 3.38Å; T607-L611 WeakPolarHBondContact O-CD1 3.35Å; T607-L611 PolarHBondContact O-N 2.98Å; L611-Q675 HydrophobicContact CD1-CB 4.14Å; L611-Q675 HydrophobicContact CD2-CB 4.15Å; L611-Q675 HydrophobicContact CG-CB 4.24Å; L611-L676 HydrophobicContact CD2-CD2 4.32Å |
| 612 | S | 38.8 | Very low | 50.5 | Low | 7 Ų | 7 | 29.4 Ų | 29.4 | 5% | 0.049 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 21.5 | 165 | 89.2 | 0 | 0 | 0 | 0 | 113.4 | R70 N609 Y610 Y614 | R70-S612 VanDerWaalsContact CD-CB 3.5Å; R70-S612 WeakPolarHBondContact CD-OG 3.15Å; R70-S612 WeakPolarHBondContact CG-OG 3.37Å; R70-S612 PolarHBondContact NE-OG 3.12Å; R70-S612 VanDerWaalsContact NE-OG 3.13Å; R70-S612 PolarHBondContact NH1-O 2.87Å; R70-S612 PolarHBondContact NH1-OG 3.31Å; N609-S612 PolarHBondContact O-OG 2.88Å; Y610-S612 PolarHBondContact O-N 2.95Å; S612-Y614 PolarHBondContact O-N 3.46Å |
| 613 | S | 43.1 | Very low | 49.6 | Very low | 10 Ų | 10 | 28.6 Ų | 28.6 | 7% | 0.07 | 14% | 0.135 | C | C | . | . | trans | -54.3 | 131.3 | 171.6 | 45.2 | 0 | 0 | 0 | 0 | 107.3 | Y610 T615 N616 Y617 | Y610-S613 VanDerWaalsContact O-CA 3.3Å; Y610-S613 WeakPolarHBondContact O-CA 3.08Å; Y610-S613 WeakPolarHBondContact O-CB 3.29Å; Y610-S613 PolarHBondContact O-N 2.96Å; Y610-S613 PolarHBondContact O-OG 3.27Å; S613-T615 PolarHBondContact O-N 3.37Å; S613-N616 PolarHBondContact O-N 3.39Å; S613-N616 VanDerWaalsContact O-N 3.17Å; S613-Y617 PolarHBondContact O-N 2.88Å | ||
| 614 | Y | 43.9 | Very low | 48.8 | Very low | 143 Ų | 143 | 30.3 Ų | 30.3 | 56% | 0.561 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -6.3 | -157.2 | -146.1 | -94.6 | 0 | 0 | 0 | 116.3 | Y67 S612 M618 | Y67-Y614 HydrophobicContact CD1-CD2 4.17Å; Y67-Y614 HydrophobicContact CD1-CE2 4.34Å; Y67-Y614 HydrophobicContact CD1-CG 4.46Å; Y67-Y614 AromaticContact CE1-CD1 3.94Å; Y67-Y614 HydrophobicContact CE1-CD1 3.94Å; Y67-Y614 AromaticContact CE1-CD2 3.95Å; Y67-Y614 HydrophobicContact CE1-CD2 3.95Å; Y67-Y614 HydrophobicContact CE1-CE1 4.22Å; Y67-Y614 HydrophobicContact CE1-CE2 4.23Å; Y67-Y614 AromaticContact CE1-CG 3.81Å; Y67-Y614 HydrophobicContact CE1-CG 3.81Å; Y67-Y614 WeakPolarHBondContact CE1-O 3.29Å; Y67-Y614 HydrophobicContact CE2-CE1 4.4Å; Y67-Y614 AromaticContact CZ-CD1 3.91Å; Y67-Y614 AromaticContact CZ-CE1 3.83Å; Y67-Y614 PolarHBondContact OH-O 3.33Å; S612-Y614 PolarHBondContact O-N 3.46Å; Y614-M618 WeakPolarHBondContact O-CG 3.43Å |
| 615 | T | 43.6 | Very low | 48.2 | Very low | 16 Ų | 16 | 31.7 Ų | 31.7 | 10% | 0.098 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.6 | -35.1 | -166.8 | 49 | 0 | 0 | 0 | 0 | 112.9 | F557 T560 S613 M618 Q619 | F557-T615 HydrophobicContact CD1-CG2 3.95Å; F557-T615 HydrophobicContact CE1-CG2 4.15Å; T560-T615 WeakPolarHBondContact CB-OG1 3.5Å; T560-T615 HydrophobicContact CG2-CG2 3.24Å; T560-T615 WeakPolarHBondContact CG2-OG1 3.26Å; S613-T615 PolarHBondContact O-N 3.37Å; T615-M618 PolarHBondContact O-N 3Å; T615-Q619 WeakPolarHBondContact O-CB 3.15Å; T615-Q619 WeakPolarHBondContact O-CG 3.45Å; T615-Q619 PolarHBondContact O-N 3.46Å |
| 616 | N | 45.6 | Very low | 48 | Very low | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.027 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71.4 | -49.9 | 178.3 | -93.5 | 4.2 | 0 | 0 | 0 | 109.9 | N564 S613 M618 Q619 L620 H672 | N564-N616 PolarHBondContact OD1-ND2 2.92Å; S613-N616 PolarHBondContact O-N 3.39Å; S613-N616 VanDerWaalsContact O-N 3.17Å; N616-M618 PolarHBondContact O-N 3.18Å; N616-Q619 PolarHBondContact O-N 2.96Å; N616-L620 WeakPolarHBondContact O-CB 3.36Å; N616-L620 PolarHBondContact O-N 3.32Å; N616-H672 WeakPolarHBondContact CB-CE1 3.26Å; N616-H672 PolarHBondContact O-CE1 3.36Å; N616-H672 PolarHBondContact O-NE2 3.46Å |
| 617 | Y | 48.4 | Very low | 47.8 | Very low | 24 Ų | 24 | 34.8 Ų | 34.8 | 9% | 0.094 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.4 | -37.1 | 172.6 | -174.2 | -110 | 0 | 0 | 0 | 111.9 | W47 T51 S613 L620 L621 H672 | W47-Y617 WeakPolarHBondContact CH2-OH 3.17Å; W47-Y617 WeakPolarHBondContact CZ3-OH 3.29Å; T51-Y617 HydrophobicContact CG2-CE1 4.47Å; T51-Y617 WeakPolarHBondContact CG2-OH 3.3Å; S613-Y617 PolarHBondContact O-N 2.88Å; Y617-L620 PolarHBondContact O-N 3.32Å; Y617-L621 HydrophobicContact CD1-CD1 3.61Å; Y617-L621 HydrophobicContact CD1-CG 4.26Å; Y617-L621 HydrophobicContact CE1-CD1 3.32Å; Y617-L621 HydrophobicContact CE1-CD2 4.36Å; Y617-L621 HydrophobicContact CE1-CG 3.99Å; Y617-L621 HydrophobicContact CG-CD1 4.45Å; Y617-L621 WeakPolarHBondContact O-CB 3.16Å; Y617-L621 VanDerWaalsContact O-CG 3.24Å; Y617-L621 WeakPolarHBondContact O-CG 3.43Å; Y617-L621 PolarHBondContact O-N 3.36Å; Y617-H672 PolarHBondContact N-NE2 3.46Å |
| 618 | M | 48.9 | Very low | 48 | Very low | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -72.6 | -41.5 | 179.9 | -70.9 | -74.5 | 151.7 | 0 | 0 | 113 | Y55 V66 Y67 Y614 T615 N616 L620 L621 I622 | Y55-M618 HydrophobicContact CD2-CE 4.17Å; Y55-M618 HydrophobicContact CD2-SD 3.57Å; Y55-M618 VanDerWaalsContact CD2-SD 3.57Å; Y55-M618 HydrophobicContact CE2-CE 4.12Å; Y55-M618 HydrophobicContact CE2-SD 3.02Å; Y55-M618 WeakPolarHBondContact CE2-SD 3.23Å; V66-M618 HydrophobicContact CB-CE 4.39Å; V66-M618 HydrophobicContact CG1-CE 4.39Å; Y67-M618 HydrophobicContact CD1-CE 3.36Å; Y67-M618 HydrophobicContact CD1-CG 4.33Å; Y67-M618 HydrophobicContact CD1-SD 4.46Å; Y67-M618 HydrophobicContact CD2-CE 3.56Å; Y67-M618 HydrophobicContact CE1-CE 3.17Å; Y67-M618 HydrophobicContact CE1-CG 3.29Å; Y67-M618 HydrophobicContact CE1-SD 3.69Å; Y67-M618 HydrophobicContact CE2-CE 3.41Å; Y67-M618 VanDerWaalsContact CE2-CE 3.41Å; Y67-M618 HydrophobicContact CE2-CG 4.43Å; Y67-M618 HydrophobicContact CE2-SD 3.88Å; Y67-M618 HydrophobicContact CG-CE 3.57Å; Y67-M618 WeakPolarHBondContact OH-CG 3.15Å; Y67-M618 PolarHBondContact OH-SD 2.96Å; Y67-M618 VanDerWaalsContact OH-SD 3.38Å; Y614-M618 WeakPolarHBondContact O-CG 3.43Å; T615-M618 PolarHBondContact O-N 3Å; N616-M618 PolarHBondContact O-N 3.18Å; M618-L620 VanDerWaalsContact C-N 3.29Å; M618-L620 PolarHBondContact O-N 3.41Å; M618-L621 HydrophobicContact CE-CD1 3.83Å; M618-L621 PolarHBondContact O-N 3.08Å; M618-L621 HydrophobicContact SD-CD1 4.05Å; M618-I622 WeakPolarHBondContact O-CB 3.31Å; M618-I622 WeakPolarHBondContact O-CG1 3.41Å; M618-I622 PolarHBondContact O-N 2.97Å |
| 619 | Q | 49.1 | Very low | 48.3 | Very low | 18 Ų | 18 | 38 Ų | 38 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.6 | -36.2 | 172.5 | -71.3 | 166.5 | -6.3 | 0 | 0 | 110.5 | T615 N616 I622 V623 L660 L668 | T615-Q619 WeakPolarHBondContact O-CB 3.15Å; T615-Q619 WeakPolarHBondContact O-CG 3.45Å; T615-Q619 PolarHBondContact O-N 3.46Å; N616-Q619 PolarHBondContact O-N 2.96Å; Q619-I622 WeakPolarHBondContact O-CB 3.42Å; Q619-I622 PolarHBondContact O-N 3.38Å; Q619-V623 VanDerWaalsContact O-CB 3.25Å; Q619-V623 WeakPolarHBondContact O-CB 3.39Å; Q619-V623 WeakPolarHBondContact O-CG2 3.37Å; Q619-V623 PolarHBondContact O-N 3.29Å; Q619-L660 VanDerWaalsContact CD-CD1 3.41Å; Q619-L660 HydrophobicContact CG-CD1 3.86Å; Q619-L660 VanDerWaalsContact NE2-CD1 3.27Å; Q619-L668 VanDerWaalsContact C-CD2 3.46Å; Q619-L668 HydrophobicContact CB-CD1 4.06Å; Q619-L668 HydrophobicContact CB-CD2 3.38Å; Q619-L668 HydrophobicContact CB-CG 4.36Å |
| 620 | L | 52.5 | Low | 48.6 | Very low | 25 Ų | 25 | 38 Ų | 38 | 13% | 0.131 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64 | -43.7 | 171.7 | -175.4 | 74.1 | 0 | 0 | 0 | 111.5 | N616 Y617 M618 V623 L624 L668 L669 H672 | N616-L620 WeakPolarHBondContact O-CB 3.36Å; N616-L620 PolarHBondContact O-N 3.32Å; Y617-L620 PolarHBondContact O-N 3.32Å; M618-L620 VanDerWaalsContact C-N 3.29Å; M618-L620 PolarHBondContact O-N 3.41Å; L620-V623 PolarHBondContact O-N 3.25Å; L620-L624 HydrophobicContact CD1-CD1 4.11Å; L620-L624 HydrophobicContact CD1-CG 4.29Å; L620-L624 HydrophobicContact CD2-CD1 4.04Å; L620-L624 HydrophobicContact CG-CD1 3.68Å; L620-L624 HydrophobicContact CG-CG 4.24Å; L620-L624 VanDerWaalsContact O-CB 3.3Å; L620-L624 WeakPolarHBondContact O-CB 3.47Å; L620-L624 VanDerWaalsContact O-CG 3.29Å; L620-L624 WeakPolarHBondContact O-CG 3.49Å; L620-L624 PolarHBondContact O-N 3.1Å; L620-L668 HydrophobicContact CB-CD2 4.37Å; L620-L669 HydrophobicContact CD1-CG 4.07Å; L620-H672 HydrophobicContact CD1-CB 4.2Å; L620-H672 HydrophobicContact CD2-CB 4.33Å; L620-H672 VanDerWaalsContact CD2-CD2 3.49Å; L620-H672 WeakPolarHBondContact CD2-CD2 3.47Å |
| 621 | L | 53.1 | Low | 48.6 | Very low | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 175.5 | -72.6 | 169.5 | 0 | 0 | 0 | 111.9 | T51 I52 Y55 V66 Y617 M618 V623 N625 | T51-L621 HydrophobicContact CG2-CD2 4.38Å; I52-L621 VanDerWaalsContact CA-CD2 3.5Å; I52-L621 HydrophobicContact CB-CD2 4.18Å; I52-L621 HydrophobicContact CG1-CD2 3.7Å; Y55-L621 HydrophobicContact CD1-CB 3.77Å; Y55-L621 HydrophobicContact CD2-CB 4.35Å; Y55-L621 HydrophobicContact CD2-CD1 3.97Å; Y55-L621 HydrophobicContact CE1-CB 4.41Å; Y55-L621 HydrophobicContact CG-CB 3.72Å; Y55-L621 HydrophobicContact CG-CD1 4Å; Y55-L621 HydrophobicContact CG-CG 4.43Å; V66-L621 HydrophobicContact CG1-CD1 4.25Å; Y617-L621 HydrophobicContact CD1-CD1 3.61Å; Y617-L621 HydrophobicContact CD1-CG 4.26Å; Y617-L621 HydrophobicContact CE1-CD1 3.32Å; Y617-L621 HydrophobicContact CE1-CD2 4.36Å; Y617-L621 HydrophobicContact CE1-CG 3.99Å; Y617-L621 HydrophobicContact CG-CD1 4.45Å; Y617-L621 WeakPolarHBondContact O-CB 3.16Å; Y617-L621 VanDerWaalsContact O-CG 3.24Å; Y617-L621 WeakPolarHBondContact O-CG 3.43Å; Y617-L621 PolarHBondContact O-N 3.36Å; M618-L621 HydrophobicContact CE-CD1 3.83Å; M618-L621 PolarHBondContact O-N 3.08Å; M618-L621 HydrophobicContact SD-CD1 4.05Å; L621-V623 VanDerWaalsContact C-N 3.32Å; L621-V623 PolarHBondContact O-N 3.36Å; L621-N625 WeakPolarHBondContact O-CB 3.39Å; L621-N625 PolarHBondContact O-N 3.02Å |
| 622 | I | 51.5 | Low | 48.6 | Very low | 41 Ų | 41 | 45.8 Ų | 45.8 | 21% | 0.21 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.8 | -49.4 | 173.2 | -73.6 | 165.8 | 0 | 0 | 0 | 110.3 | Y55 M618 Q619 R626 L659 | Y55-I622 HydrophobicContact CD1-CG1 4.3Å; Y55-I622 HydrophobicContact CE1-CB 4.36Å; Y55-I622 HydrophobicContact CE1-CD1 4.27Å; Y55-I622 HydrophobicContact CE1-CG1 3.33Å; M618-I622 WeakPolarHBondContact O-CB 3.31Å; M618-I622 WeakPolarHBondContact O-CG1 3.41Å; M618-I622 PolarHBondContact O-N 2.97Å; Q619-I622 WeakPolarHBondContact O-CB 3.42Å; Q619-I622 PolarHBondContact O-N 3.38Å; I622-R626 PolarHBondContact O-N 3.03Å; I622-L659 HydrophobicContact CD1-CD2 4.42Å; I622-L659 HydrophobicContact CG2-CD2 3.35Å |
| 623 | V | 51.8 | Low | 48.6 | Very low | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.2 | -49.5 | -177.3 | 157.4 | 0 | 0 | 0 | 0 | 112 | Q619 L620 L621 N625 R626 L627 V665 L669 | Q619-V623 VanDerWaalsContact O-CB 3.25Å; Q619-V623 WeakPolarHBondContact O-CB 3.39Å; Q619-V623 WeakPolarHBondContact O-CG2 3.37Å; Q619-V623 PolarHBondContact O-N 3.29Å; L620-V623 PolarHBondContact O-N 3.25Å; L621-V623 VanDerWaalsContact C-N 3.32Å; L621-V623 PolarHBondContact O-N 3.36Å; V623-N625 VanDerWaalsContact C-N 3.27Å; V623-N625 PolarHBondContact O-N 3.31Å; V623-R626 PolarHBondContact O-N 3Å; V623-L627 HydrophobicContact CG1-CD1 3.89Å; V623-L627 WeakPolarHBondContact O-CG 3.37Å; V623-L627 PolarHBondContact O-N 3.28Å; V623-V665 HydrophobicContact CB-CG1 3.77Å; V623-V665 HydrophobicContact CG1-CB 4.46Å; V623-V665 HydrophobicContact CG1-CG1 3.2Å; V623-V665 HydrophobicContact CG2-CB 3.68Å; V623-V665 HydrophobicContact CG2-CG1 3.24Å; V623-V665 HydrophobicContact CG2-CG2 3.42Å; V623-V665 VanDerWaalsContact CG2-CG2 3.42Å; V623-L669 HydrophobicContact CG1-CD1 3.72Å |
| 624 | L | 55.9 | Low | 48.2 | Very low | 47 Ų | 47 | 54.3 Ų | 54.3 | 25% | 0.246 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.9 | -40.9 | -180 | -75.7 | 169.5 | 0 | 0 | 0 | 109.8 | I52 L620 L627 T628 | I52-L624 HydrophobicContact CD1-CB 4.43Å; I52-L624 HydrophobicContact CD1-CD1 3.73Å; I52-L624 HydrophobicContact CG1-CB 4.38Å; I52-L624 HydrophobicContact CG1-CD1 4.02Å; I52-L624 HydrophobicContact CG2-CB 3.84Å; L620-L624 HydrophobicContact CD1-CD1 4.11Å; L620-L624 HydrophobicContact CD1-CG 4.29Å; L620-L624 HydrophobicContact CD2-CD1 4.04Å; L620-L624 HydrophobicContact CG-CD1 3.68Å; L620-L624 HydrophobicContact CG-CG 4.24Å; L620-L624 VanDerWaalsContact O-CB 3.3Å; L620-L624 WeakPolarHBondContact O-CB 3.47Å; L620-L624 VanDerWaalsContact O-CG 3.29Å; L620-L624 WeakPolarHBondContact O-CG 3.49Å; L620-L624 PolarHBondContact O-N 3.1Å; L624-L627 PolarHBondContact O-N 3.5Å; L624-T628 PolarHBondContact O-N 3.19Å; L624-T628 PolarHBondContact O-OG1 3.19Å |
| 625 | N | 55 | Low | 47.9 | Very low | 43 Ų | 43 | 53 Ų | 53 | 23% | 0.23 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.3 | -49 | 174.1 | -175.9 | 33 | 0 | 0 | 0 | 111.7 | G56 L621 V623 L627 T628 S629 | G56-N625 WeakPolarHBondContact CA-ND2 3.45Å; L621-N625 WeakPolarHBondContact O-CB 3.39Å; L621-N625 PolarHBondContact O-N 3.02Å; V623-N625 VanDerWaalsContact C-N 3.27Å; V623-N625 PolarHBondContact O-N 3.31Å; N625-L627 VanDerWaalsContact C-N 3.33Å; N625-L627 PolarHBondContact O-N 3.46Å; N625-T628 VanDerWaalsContact CA-OG1 3.29Å; N625-T628 WeakPolarHBondContact CA-OG1 3.34Å; N625-T628 PolarHBondContact O-N 3.32Å; N625-T628 PolarHBondContact O-OG1 2.97Å; N625-S629 PolarHBondContact O-N 2.99Å; N625-S629 PolarHBondContact O-OG 3.18Å |
| 626 | R | 53 | Low | 47.5 | Very low | 70 Ų | 70 | 55.5 Ų | 55.5 | 26% | 0.264 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.9 | -40.5 | 176 | -81.3 | -177.5 | 168.7 | -173.5 | -6.6 | 112.9 | I622 V623 S629 S630 | I622-R626 PolarHBondContact O-N 3.03Å; V623-R626 PolarHBondContact O-N 3Å; R626-S629 WeakPolarHBondContact CA-OG 3.38Å; R626-S629 PolarHBondContact O-OG 3.2Å; R626-S630 WeakPolarHBondContact O-CB 3.41Å; R626-S630 PolarHBondContact O-N 3.37Å; R626-S630 PolarHBondContact O-OG 3.28Å |
| 627 | L | 53.6 | Low | 46.9 | Very low | 76 Ų | 76 | 63.9 Ų | 63.9 | 40% | 0.398 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.8 | -45.2 | 176.2 | -76.1 | 164.9 | 0 | 0 | 0 | 111.1 | V623 L624 N625 S629 S630 L631 L669 | V623-L627 HydrophobicContact CG1-CD1 3.89Å; V623-L627 WeakPolarHBondContact O-CG 3.37Å; V623-L627 PolarHBondContact O-N 3.28Å; L624-L627 PolarHBondContact O-N 3.5Å; N625-L627 VanDerWaalsContact C-N 3.33Å; N625-L627 PolarHBondContact O-N 3.46Å; L627-S629 PolarHBondContact O-N 3.5Å; L627-S630 PolarHBondContact O-N 3.28Å; L627-S630 PolarHBondContact O-OG 3.07Å; L627-L631 WeakPolarHBondContact O-CB 3.42Å; L627-L631 PolarHBondContact O-N 2.91Å; L627-L669 HydrophobicContact CD1-CD1 4.02Å |
| 628 | T | 54.4 | Low | 46 | Very low | 63 Ų | 63 | 69 Ų | 69 | 39% | 0.387 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 175.5 | 36.5 | 0 | 0 | 0 | 0 | 113.1 | L624 N625 L631 F632 | L624-T628 PolarHBondContact O-N 3.19Å; L624-T628 PolarHBondContact O-OG1 3.19Å; N625-T628 VanDerWaalsContact CA-OG1 3.29Å; N625-T628 WeakPolarHBondContact CA-OG1 3.34Å; N625-T628 PolarHBondContact O-N 3.32Å; N625-T628 PolarHBondContact O-OG1 2.97Å; T628-L631 PolarHBondContact O-N 3.44Å; T628-F632 WeakPolarHBondContact O-CD2 3.17Å; T628-F632 PolarHBondContact O-N 3.42Å |
| 629 | S | 49.3 | Very low | 45.1 | Very low | 56 Ų | 56 | 72.3 Ų | 72.3 | 39% | 0.392 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 177.1 | 62 | 0 | 0 | 0 | 0 | 111.5 | N625 R626 L627 L631 F632 E633 | N625-S629 PolarHBondContact O-N 2.99Å; N625-S629 PolarHBondContact O-OG 3.18Å; R626-S629 WeakPolarHBondContact CA-OG 3.38Å; R626-S629 PolarHBondContact O-OG 3.2Å; L627-S629 PolarHBondContact O-N 3.5Å; S629-L631 PolarHBondContact O-N 2.91Å; S629-F632 PolarHBondContact O-N 3.24Å; S629-E633 PolarHBondContact O-N 2.87Å |
| 630 | S | 47 | Very low | 44.4 | Very low | 55 Ų | 55 | 79.2 Ų | 79.2 | 39% | 0.385 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.1 | -35.7 | 175.5 | 69.9 | 0 | 0 | 0 | 0 | 113.4 | R626 L627 E633 S634 | R626-S630 WeakPolarHBondContact O-CB 3.41Å; R626-S630 PolarHBondContact O-N 3.37Å; R626-S630 PolarHBondContact O-OG 3.28Å; L627-S630 PolarHBondContact O-N 3.28Å; L627-S630 PolarHBondContact O-OG 3.07Å; S630-E633 PolarHBondContact O-N 3.01Å; S630-S634 PolarHBondContact O-N 3.48Å |
| 631 | L | 42 | Very low | 43.8 | Very low | 108 Ų | 108 | 83.8 Ų | 83.8 | 57% | 0.565 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68.2 | -36.9 | 173.9 | -84.4 | 158.9 | 0 | 0 | 0 | 111.4 | L627 T628 S629 S634 V635 | L627-L631 WeakPolarHBondContact O-CB 3.42Å; L627-L631 PolarHBondContact O-N 2.91Å; T628-L631 PolarHBondContact O-N 3.44Å; S629-L631 PolarHBondContact O-N 2.91Å; L631-S634 PolarHBondContact O-N 2.99Å; L631-S634 PolarHBondContact O-OG 3.26Å; L631-V635 WeakPolarHBondContact O-CG2 3.46Å; L631-V635 PolarHBondContact O-N 3.48Å |
| 632 | F | 41 | Very low | 43.1 | Very low | 143 Ų | 143 | 86.9 Ų | 86.9 | 63% | 0.627 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.5 | -37 | 175.2 | -100.1 | -83.9 | 0 | 0 | 0 | 112.8 | T628 S629 S634 V635 V636 | T628-F632 WeakPolarHBondContact O-CD2 3.17Å; T628-F632 PolarHBondContact O-N 3.42Å; S629-F632 PolarHBondContact O-N 3.24Å; F632-S634 VanDerWaalsContact C-N 3.28Å; F632-S634 PolarHBondContact O-N 2.83Å; F632-V635 PolarHBondContact O-N 3.03Å; F632-V636 HydrophobicContact CD1-CG2 4.5Å; F632-V636 WeakPolarHBondContact O-CG2 3.4Å; F632-V636 PolarHBondContact O-N 3.4Å; F632-V636 VanDerWaalsContact O-N 3.07Å |
| 633 | E | 37.5 | Very low | 42.6 | Very low | 116 Ų | 116 | 89.7 Ų | 89.7 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -36.1 | 171.9 | -78.5 | 172.7 | 176.5 | 0 | 0 | 112.2 | S629 S630 V635 | S629-E633 PolarHBondContact O-N 2.87Å; S630-E633 PolarHBondContact O-N 3.01Å; E633-V635 VanDerWaalsContact C-N 3.32Å; E633-V635 PolarHBondContact O-N 3.2Å |
| 634 | S | 35.8 | Very low | 41.9 | Very low | 81 Ų | 81 | 94.8 Ų | 94.8 | 57% | 0.566 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.5 | -20.9 | 177.9 | 75.4 | 0 | 0 | 0 | 0 | 114.6 | S630 L631 F632 | S630-S634 PolarHBondContact O-N 3.48Å; L631-S634 PolarHBondContact O-N 2.99Å; L631-S634 PolarHBondContact O-OG 3.26Å; F632-S634 VanDerWaalsContact C-N 3.28Å; F632-S634 PolarHBondContact O-N 2.83Å |
| 635 | V | 37.8 | Very low | 41 | Very low | 114 Ų | 114 | 97.9 Ų | 97.9 | 69% | 0.691 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -98.4 | -20.6 | -178.9 | 177.8 | 0 | 0 | 0 | 0 | 112 | L631 F632 E633 | L631-V635 WeakPolarHBondContact O-CG2 3.46Å; L631-V635 PolarHBondContact O-N 3.48Å; F632-V635 PolarHBondContact O-N 3.03Å; E633-V635 VanDerWaalsContact C-N 3.32Å; E633-V635 PolarHBondContact O-N 3.2Å |
| 636 | V | 34.1 | Very low | 40.2 | Very low | 70 Ų | 70 | 100.6 Ų | 100.6 | 42% | 0.424 | 56% | 0.558 | S | S | . | * | trans | -106.2 | 55.6 | 179.9 | -169.4 | 0 | 0 | 0 | 0 | 110.5 | F632 V638 | F632-V636 HydrophobicContact CD1-CG2 4.5Å; F632-V636 WeakPolarHBondContact O-CG2 3.4Å; F632-V636 PolarHBondContact O-N 3.4Å; F632-V636 VanDerWaalsContact O-N 3.07Å; V636-V638 PolarHBondContact O-N 3.21Å | ||
| 637 | Q | 32.3 | Very low | 39.4 | Very low | 181 Ų | 181 | 98.7 Ų | 98.7 | 85% | 0.846 | 56% | 0.557 | S | S | * | * | trans | -91.3 | 44.8 | 158.6 | -85.2 | -164.3 | -14.2 | 0 | 0 | 111.3 | ||||
| 638 | V | 30.5 | Very low | 38.5 | Very low | 130 Ų | 130 | 98.7 Ų | 98.7 | 79% | 0.788 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -137.6 | 84 | 169.8 | -169.7 | 0 | 0 | 0 | 0 | 109.8 | V636 | V636-V638 PolarHBondContact O-N 3.21Š|
| 639 | G | 30.9 | Very low | 37.6 | Very low | 76 Ų | 76 | 102.5 Ų | 102.5 | 78% | 0.784 | 57% | 0.565 | S | S | * | * | S | Bend | trans | 88.5 | 22.2 | 134.5 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||
| 640 | Q | 33.8 | Very low | 37.1 | Very low | 162 Ų | 162 | 103 Ų | 103 | 76% | 0.757 | 57% | 0.569 | S | S | * | * | trans | -144.4 | 127.8 | 166.4 | -74.2 | -170.3 | -24.2 | 0 | 0 | 114.3 | A642 | Q640-A642 PolarHBondContact O-N 3.19Å; Q640-A642 VanDerWaalsContact O-N 3.07Å | ||
| 641 | P | 38.6 | Very low | 36.5 | Very low | 122 Ų | 122 | 104.6 Ų | 104.6 | 79% | 0.792 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 17.9 | -177.8 | 32.7 | -35.3 | 0 | 0 | 0 | 114.6 | ||
| 642 | A | 40.2 | Very low | 35.9 | Very low | 66 Ų | 66 | 104.4 Ų | 104.4 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | -5.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q640 | Q640-A642 PolarHBondContact O-N 3.19Å; Q640-A642 VanDerWaalsContact O-N 3.07Å |
| 643 | H | 39.5 | Very low | 35.7 | Very low | 101 Ų | 101 | 105.6 Ų | 105.6 | 47% | 0.468 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -94.5 | -21 | -174.5 | -104.4 | -70.4 | 0 | 0 | 0 | 115.1 | Q645 R646 | H643-Q645 VanDerWaalsContact C-N 3.26Å; H643-Q645 PolarHBondContact O-N 3.28Å; H643-R646 PolarHBondContact O-N 2.96Å |
| 644 | D | 38.4 | Very low | 35.6 | Very low | 110 Ų | 110 | 100.5 Ų | 100.5 | 59% | 0.588 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.5 | -29.5 | 179.7 | -73.2 | -22.4 | 0 | 0 | 0 | 112.8 | R646 I648 | D644-R646 VanDerWaalsContact C-N 3.31Å; D644-R646 PolarHBondContact O-N 3.02Å; D644-I648 VanDerWaalsContact O-CD1 3.32Å; D644-I648 WeakPolarHBondContact O-CD1 3.08Å; D644-I648 VanDerWaalsContact O-CG1 3.23Å; D644-I648 WeakPolarHBondContact O-CG1 3.24Å; D644-I648 PolarHBondContact O-N 2.84Å |
| 645 | Q | 36.5 | Very low | 35.4 | Very low | 112 Ų | 112 | 102.4 Ų | 102.4 | 52% | 0.523 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -74 | -17.4 | -178.8 | -71.4 | -172.2 | -9.3 | 0 | 0 | 114.5 | H643 Y649 | H643-Q645 VanDerWaalsContact C-N 3.26Å; H643-Q645 PolarHBondContact O-N 3.28Å; Q645-Y649 WeakPolarHBondContact O-CD2 3.09Å |
| 646 | R | 37.6 | Very low | 35 | Very low | 100 Ų | 100 | 103.7 Ų | 103.7 | 38% | 0.377 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -79.7 | -28.5 | 179.5 | -133.6 | -174.5 | -101.8 | 170.2 | 10.3 | 112.6 | Q166 Y170 H643 D644 | Q166-R646 VanDerWaalsContact NE2-NH2 3.17Å; Y170-R646 VanDerWaalsContact CE2-CZ 3.4Å; Y170-R646 VanDerWaalsContact CZ-NH1 3.3Å; Y170-R646 PolarHBondContact OH-NH2 2.85Å; H643-R646 PolarHBondContact O-N 2.96Å; D644-R646 VanDerWaalsContact C-N 3.31Å; D644-R646 PolarHBondContact O-N 3.02Å |
| 647 | A | 37.6 | Very low | 34.8 | Very low | 31 Ų | 31 | 103.2 Ų | 103.2 | 26% | 0.256 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -74.9 | -39.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y649 S650 L651 | A647-Y649 PolarHBondContact O-N 3.23Å; A647-S650 PolarHBondContact O-N 3.28Å; A647-S650 PolarHBondContact O-OG 2.94Å; A647-L651 PolarHBondContact O-N 3.29Å |
| 648 | I | 34.6 | Very low | 35.1 | Very low | 76 Ų | 76 | 99.2 Ų | 99.2 | 39% | 0.39 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.8 | -41.4 | -174.4 | -66.5 | 166.5 | 0 | 0 | 0 | 112.7 | D644 S650 L651 D652 | D644-I648 VanDerWaalsContact O-CD1 3.32Å; D644-I648 WeakPolarHBondContact O-CD1 3.08Å; D644-I648 VanDerWaalsContact O-CG1 3.23Å; D644-I648 WeakPolarHBondContact O-CG1 3.24Å; D644-I648 PolarHBondContact O-N 2.84Å; I648-S650 VanDerWaalsContact C-N 3.28Å; I648-S650 PolarHBondContact O-N 3.4Å; I648-L651 PolarHBondContact O-N 2.78Å; I648-L651 VanDerWaalsContact O-N 3.16Å; I648-D652 VanDerWaalsContact CG2-OD2 3.27Å; I648-D652 WeakPolarHBondContact CG2-OD2 3.09Å; I648-D652 PolarHBondContact O-N 3.05Å |
| 649 | Y | 35.4 | Very low | 35.7 | Very low | 143 Ų | 143 | 95.9 Ų | 95.9 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.9 | -21.2 | 177.4 | -76.9 | -80.7 | 0 | 0 | 0 | 114.3 | P163 Q645 A647 | P163-Y649 HydrophobicContact CB-CE2 4.11Å; P163-Y649 HydrophobicContact CG-CE2 4.15Å; Q645-Y649 WeakPolarHBondContact O-CD2 3.09Å; A647-Y649 PolarHBondContact O-N 3.23Å |
| 650 | S | 38.3 | Very low | 36.3 | Very low | 67 Ų | 67 | 94.5 Ų | 94.5 | 47% | 0.469 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -87.8 | -17.8 | 172.5 | 74.2 | 0 | 0 | 0 | 0 | 113.1 | A647 I648 A654 | A647-S650 PolarHBondContact O-N 3.28Å; A647-S650 PolarHBondContact O-OG 2.94Å; I648-S650 VanDerWaalsContact C-N 3.28Å; I648-S650 PolarHBondContact O-N 3.4Å; S650-A654 WeakPolarHBondContact O-CB 3.31Å |
| 651 | L | 33.4 | Very low | 36.9 | Very low | 88 Ų | 88 | 90 Ų | 90 | 46% | 0.461 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -92.8 | -45.8 | -179.9 | -118.6 | 81.7 | 0 | 0 | 0 | 112 | A647 I648 F653 A654 D655 | A647-L651 PolarHBondContact O-N 3.29Å; I648-L651 PolarHBondContact O-N 2.78Å; I648-L651 VanDerWaalsContact O-N 3.16Å; L651-F653 VanDerWaalsContact C-N 3.3Å; L651-F653 PolarHBondContact O-N 3.4Å; L651-A654 VanDerWaalsContact O-CB 3.32Å; L651-A654 WeakPolarHBondContact O-CB 3.44Å; L651-A654 PolarHBondContact O-N 2.92Å; L651-D655 PolarHBondContact O-N 3.48Å; L651-D655 VanDerWaalsContact O-N 3.07Å |
| 652 | D | 31.1 | Very low | 37.4 | Very low | 103 Ų | 103 | 90.1 Ų | 90.1 | 55% | 0.551 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -24.3 | -173.3 | -74.8 | -12.8 | 0 | 0 | 0 | 113.4 | I648 | I648-D652 VanDerWaalsContact CG2-OD2 3.27Å; I648-D652 WeakPolarHBondContact CG2-OD2 3.09Å; I648-D652 PolarHBondContact O-N 3.05Å |
| 653 | F | 35 | Very low | 37.9 | Very low | 168 Ų | 168 | 90.8 Ų | 90.8 | 74% | 0.737 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -13.3 | 170.7 | -83.9 | -85.7 | 0 | 0 | 0 | 113.3 | L651 | L651-F653 VanDerWaalsContact C-N 3.3Å; L651-F653 PolarHBondContact O-N 3.4Å |
| 654 | A | 36.9 | Very low | 38.6 | Very low | 10 Ų | 10 | 87 Ų | 87 | 8% | 0.083 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -28.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S650 L651 N656 L659 | S650-A654 WeakPolarHBondContact O-CB 3.31Å; L651-A654 VanDerWaalsContact O-CB 3.32Å; L651-A654 WeakPolarHBondContact O-CB 3.44Å; L651-A654 PolarHBondContact O-N 2.92Å; A654-N656 PolarHBondContact O-N 3.03Å; A654-L659 HydrophobicContact CB-CD1 3.06Å; A654-L659 HydrophobicContact CB-CG 4.36Å |
| 655 | D | 31.3 | Very low | 39.4 | Very low | 120 Ų | 120 | 82.5 Ų | 82.5 | 64% | 0.642 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -13 | -176 | -76.7 | -15.6 | 0 | 0 | 0 | 113.2 | L651 G657 | L651-D655 PolarHBondContact O-N 3.48Å; L651-D655 VanDerWaalsContact O-N 3.07Å; D655-G657 PolarHBondContact O-N 3.44Å |
| 656 | N | 28.1 | Very low | 40.6 | Very low | 142 Ų | 142 | 80.5 Ų | 80.5 | 76% | 0.759 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 62.6 | 168.7 | -72.7 | -25.8 | 0 | 0 | 0 | 111.8 | A654 | A654-N656 PolarHBondContact O-N 3.03Š|
| 657 | G | 31.5 | Very low | 41.9 | Very low | 59 Ų | 59 | 78.5 Ų | 78.5 | 61% | 0.608 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | 10.9 | 149.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | D655 | D655-G657 PolarHBondContact O-N 3.44Š|
| 658 | T | 38.8 | Very low | 43.1 | Very low | 98 Ų | 98 | 77.4 Ų | 77.4 | 60% | 0.601 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.9 | 5.7 | -171.2 | 52.2 | 0 | 0 | 0 | 0 | 116.5 | ||
| 659 | L | 41.9 | Very low | 44.5 | Very low | 60 Ų | 60 | 76.8 Ų | 76.8 | 31% | 0.314 | 43% | 0.431 | S | S | . | . | trans | -115 | 126.8 | 178.6 | -88.5 | 144.5 | 0 | 0 | 0 | 113.4 | I622 A654 | I622-L659 HydrophobicContact CD1-CD2 4.42Å; I622-L659 HydrophobicContact CG2-CD2 3.35Å; A654-L659 HydrophobicContact CB-CD1 3.06Å; A654-L659 HydrophobicContact CB-CG 4.36Å | ||
| 660 | L | 43.6 | Very low | 46.2 | Very low | 46 Ų | 46 | 73.4 Ų | 73.4 | 24% | 0.241 | 43% | 0.425 | C | S | . | . | trans | -58.7 | 139.5 | 175.7 | -75.7 | 153.3 | 0 | 0 | 0 | 110.6 | W554 Q619 | W554-L660 HydrophobicContact CD2-CD2 4.23Å; W554-L660 VanDerWaalsContact CE2-CD2 3.47Å; W554-L660 HydrophobicContact CG-CD2 4.37Å; W554-L660 HydrophobicContact CH2-CD1 4.27Å; W554-L660 HydrophobicContact CZ2-CD1 3.72Å; W554-L660 HydrophobicContact CZ2-CD2 3.88Å; Q619-L660 VanDerWaalsContact CD-CD1 3.41Å; Q619-L660 HydrophobicContact CG-CD1 3.86Å; Q619-L660 VanDerWaalsContact NE2-CD1 3.27Å | ||
| 661 | P | 46.9 | Very low | 47.8 | Very low | 67 Ų | 67 | 70.4 Ų | 70.4 | 44% | 0.435 | 40% | 0.404 | S | S | . | . | trans | -59.2 | 141.7 | 176.6 | 22.1 | -30.2 | 0 | 0 | 0 | 110.8 | S663 Q664 | P661-S663 PolarHBondContact O-N 2.99Å; P661-Q664 HydrophobicContact CG-CG 3.96Å; P661-Q664 WeakPolarHBondContact O-CB 3.38Å; P661-Q664 PolarHBondContact O-N 3.47Å | ||
| 662 | L | 48.5 | Very low | 49.5 | Very low | 126 Ų | 126 | 66.6 Ų | 66.6 | 66% | 0.66 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -53.3 | -22.1 | -178.4 | -95.7 | 143.6 | 0 | 0 | 0 | 114.1 | Q664 V665 | L662-Q664 VanDerWaalsContact C-N 3.32Å; L662-Q664 PolarHBondContact O-N 3.33Å; L662-V665 WeakPolarHBondContact O-CB 3.38Å |
| 663 | S | 51.7 | Low | 51.5 | Low | 80 Ų | 80 | 63.7 Ų | 63.7 | 56% | 0.559 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.5 | -34.7 | 172.4 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | P661 S666 | P661-S663 PolarHBondContact O-N 2.99Å; S663-S666 PolarHBondContact O-OG 3.21Å |
| 664 | Q | 52.7 | Low | 53.5 | Low | 20 Ų | 20 | 56.3 Ų | 56.3 | 9% | 0.093 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -84.4 | -17.7 | -176.6 | -64 | 179.3 | 5 | 0 | 0 | 113.1 | N553 W554 P661 L662 S666 L667 L668 | N553-Q664 VanDerWaalsContact CB-NE2 3.27Å; W554-Q664 VanDerWaalsContact CD1-OE1 3.29Å; P661-Q664 HydrophobicContact CG-CG 3.96Å; P661-Q664 WeakPolarHBondContact O-CB 3.38Å; P661-Q664 PolarHBondContact O-N 3.47Å; L662-Q664 VanDerWaalsContact C-N 3.32Å; L662-Q664 PolarHBondContact O-N 3.33Å; Q664-S666 VanDerWaalsContact C-N 3.3Å; Q664-S666 PolarHBondContact O-N 2.73Å; Q664-L667 PolarHBondContact O-N 3.32Å; Q664-L668 PolarHBondContact O-N 3.22Å |
| 665 | V | 55.6 | Low | 55.2 | Low | 16 Ų | 16 | 56.1 Ų | 56.1 | 10% | 0.097 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.2 | -42.4 | 172.8 | 161.8 | 0 | 0 | 0 | 0 | 111.6 | V623 L662 L668 L669 | V623-V665 HydrophobicContact CB-CG1 3.77Å; V623-V665 HydrophobicContact CG1-CB 4.46Å; V623-V665 HydrophobicContact CG1-CG1 3.2Å; V623-V665 HydrophobicContact CG2-CB 3.68Å; V623-V665 HydrophobicContact CG2-CG1 3.24Å; V623-V665 HydrophobicContact CG2-CG2 3.42Å; V623-V665 VanDerWaalsContact CG2-CG2 3.42Å; L662-V665 WeakPolarHBondContact O-CB 3.38Å; V665-L668 PolarHBondContact O-N 2.65Å; V665-L669 WeakPolarHBondContact O-CB 3.34Å; V665-L669 PolarHBondContact O-N 3.16Å |
| 666 | S | 62.4 | Low | 57.3 | Low | 70 Ų | 70 | 55 Ų | 55 | 49% | 0.49 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 178.1 | 66.7 | 0 | 0 | 0 | 0 | 112.1 | S663 Q664 L669 V670 | S663-S666 PolarHBondContact O-OG 3.21Å; Q664-S666 VanDerWaalsContact C-N 3.3Å; Q664-S666 PolarHBondContact O-N 2.73Å; S666-L669 PolarHBondContact O-N 3.21Å; S666-V670 VanDerWaalsContact O-CG2 3.32Å; S666-V670 WeakPolarHBondContact O-CG2 3.2Å; S666-V670 PolarHBondContact O-N 3.35Å |
| 667 | L | 63.9 | Low | 59.7 | Low | 59 Ų | 59 | 52.3 Ų | 52.3 | 31% | 0.309 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 177 | -82 | 127.4 | 0 | 0 | 0 | 111.9 | M546 I550 Q664 V670 S671 | M546-L667 HydrophobicContact CE-CB 4.12Å; M546-L667 HydrophobicContact CE-CD2 3.74Å; M546-L667 HydrophobicContact CE-CG 4.25Å; M546-L667 WeakPolarHBondContact CE-O 3.18Å; I550-L667 HydrophobicContact CD1-CB 3.82Å; I550-L667 HydrophobicContact CD1-CD2 3.92Å; I550-L667 HydrophobicContact CD1-CG 4.47Å; I550-L667 HydrophobicContact CG1-CB 4.13Å; I550-L667 HydrophobicContact CG1-CD2 3.75Å; I550-L667 HydrophobicContact CG1-CG 4.39Å; Q664-L667 PolarHBondContact O-N 3.32Å; L667-V670 PolarHBondContact O-N 3.01Å; L667-S671 WeakPolarHBondContact O-CB 3.38Å; L667-S671 PolarHBondContact O-N 2.89Å |
| 668 | L | 62.6 | Low | 62.1 | Low | 8 Ų | 8 | 49.8 Ų | 49.8 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 175.3 | -166.5 | 100.6 | 0 | 0 | 0 | 111.7 | W554 Q619 L620 Q664 V665 V670 S671 H672 | W554-L668 HydrophobicContact CH2-CD1 3.51Å; W554-L668 HydrophobicContact CZ2-CD1 3.9Å; Q619-L668 VanDerWaalsContact C-CD2 3.46Å; Q619-L668 HydrophobicContact CB-CD1 4.06Å; Q619-L668 HydrophobicContact CB-CD2 3.38Å; Q619-L668 HydrophobicContact CB-CG 4.36Å; L620-L668 HydrophobicContact CB-CD2 4.37Å; Q664-L668 PolarHBondContact O-N 3.22Å; V665-L668 PolarHBondContact O-N 2.65Å; L668-V670 VanDerWaalsContact C-N 3.3Å; L668-V670 PolarHBondContact O-N 3.47Å; L668-S671 WeakPolarHBondContact O-CA 3.34Å; L668-S671 WeakPolarHBondContact O-CB 3.41Å; L668-S671 PolarHBondContact O-N 3.09Å; L668-S671 VanDerWaalsContact O-N 3.1Å; L668-H672 PolarHBondContact O-N 3.43Å; L668-H672 PolarHBondContact O-ND1 3.12Å |
| 669 | L | 64.9 | Low | 63.9 | Low | 63 Ų | 63 | 46.6 Ų | 46.6 | 33% | 0.33 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -37.8 | -179.4 | -153.6 | 149.7 | 0 | 0 | 0 | 111.3 | L620 V623 L627 V665 S666 A673 | L620-L669 HydrophobicContact CD1-CG 4.07Å; V623-L669 HydrophobicContact CG1-CD1 3.72Å; L627-L669 HydrophobicContact CD1-CD1 4.02Å; V665-L669 WeakPolarHBondContact O-CB 3.34Å; V665-L669 PolarHBondContact O-N 3.16Å; S666-L669 PolarHBondContact O-N 3.21Å; L669-A673 WeakPolarHBondContact O-CB 3.33Å; L669-A673 PolarHBondContact O-N 3.43Å |
| 670 | V | 72 | Confident | 65.6 | Low | 72 Ų | 72 | 45.8 Ų | 45.8 | 44% | 0.436 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 171.4 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | M546 S666 L667 L668 H672 A673 I674 | M546-V670 HydrophobicContact CE-CB 3.76Å; M546-V670 HydrophobicContact CE-CG1 3.58Å; M546-V670 HydrophobicContact SD-CG1 3.7Å; S666-V670 VanDerWaalsContact O-CG2 3.32Å; S666-V670 WeakPolarHBondContact O-CG2 3.2Å; S666-V670 PolarHBondContact O-N 3.35Å; L667-V670 PolarHBondContact O-N 3.01Å; L668-V670 VanDerWaalsContact C-N 3.3Å; L668-V670 PolarHBondContact O-N 3.47Å; V670-H672 PolarHBondContact O-N 3.5Å; V670-A673 PolarHBondContact O-N 3.47Å; V670-I674 HydrophobicContact CG1-CD1 4Å; V670-I674 VanDerWaalsContact O-CG1 3.31Å; V670-I674 WeakPolarHBondContact O-CG1 3.1Å; V670-I674 PolarHBondContact O-N 3.45Å |
| 671 | S | 70.4 | Confident | 67.6 | Low | 4 Ų | 4 | 45.2 Ų | 45.2 | 3% | 0.028 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59 | -46.6 | 174.9 | -166 | 0 | 0 | 0 | 0 | 111.7 | L667 L668 A673 I674 Q675 | L667-S671 WeakPolarHBondContact O-CB 3.38Å; L667-S671 PolarHBondContact O-N 2.89Å; L668-S671 WeakPolarHBondContact O-CA 3.34Å; L668-S671 WeakPolarHBondContact O-CB 3.41Å; L668-S671 PolarHBondContact O-N 3.09Å; L668-S671 VanDerWaalsContact O-N 3.1Å; S671-A673 PolarHBondContact O-N 3.06Å; S671-I674 WeakPolarHBondContact O-CB 3.42Å; S671-I674 PolarHBondContact O-N 2.71Å; S671-Q675 WeakPolarHBondContact O-CG 3.32Å; S671-Q675 PolarHBondContact O-N 3.08Å |
| 672 | H | 69.3 | Low | 69.3 | Low | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.8 | -39.4 | 175.6 | -84.6 | 65.8 | 0 | 0 | 0 | 113.2 | N616 Y617 L620 L668 V670 I674 Q675 L676 | N616-H672 WeakPolarHBondContact CB-CE1 3.26Å; N616-H672 PolarHBondContact O-CE1 3.36Å; N616-H672 PolarHBondContact O-NE2 3.46Å; Y617-H672 PolarHBondContact N-NE2 3.46Å; L620-H672 HydrophobicContact CD1-CB 4.2Å; L620-H672 HydrophobicContact CD2-CB 4.33Å; L620-H672 VanDerWaalsContact CD2-CD2 3.49Å; L620-H672 WeakPolarHBondContact CD2-CD2 3.47Å; L668-H672 PolarHBondContact O-N 3.43Å; L668-H672 PolarHBondContact O-ND1 3.12Å; V670-H672 PolarHBondContact O-N 3.5Å; H672-I674 VanDerWaalsContact C-N 3.3Å; H672-I674 PolarHBondContact O-N 2.93Å; H672-Q675 PolarHBondContact O-N 2.86Å; H672-L676 WeakPolarHBondContact O-CB 3.43Å; H672-L676 WeakPolarHBondContact O-CG 3.45Å; H672-L676 PolarHBondContact O-N 3.09Å |
| 673 | A | 72.6 | Confident | 70.6 | Confident | 41 Ų | 41 | 36.5 Ų | 36.5 | 34% | 0.339 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L669 V670 S671 L676 I677 | L669-A673 WeakPolarHBondContact O-CB 3.33Å; L669-A673 PolarHBondContact O-N 3.43Å; V670-A673 PolarHBondContact O-N 3.47Å; S671-A673 PolarHBondContact O-N 3.06Å; A673-L676 PolarHBondContact O-N 3.14Å; A673-I677 WeakPolarHBondContact O-CD1 3.33Å; A673-I677 VanDerWaalsContact O-CG1 3.23Å; A673-I677 WeakPolarHBondContact O-CG1 3.39Å; A673-I677 PolarHBondContact O-N 2.9Å |
| 674 | I | 77.9 | Confident | 72.2 | Confident | 14 Ų | 14 | 36 Ų | 36 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.8 | -48.6 | 174.4 | -70 | 165.3 | 0 | 0 | 0 | 110.5 | L539 V542 E543 M546 V670 S671 H672 L676 I677 Q678 | L539-I674 HydrophobicContact CB-CG2 4.01Å; L539-I674 HydrophobicContact CD2-CG1 4.35Å; L539-I674 HydrophobicContact CD2-CG2 4.13Å; V542-I674 HydrophobicContact CB-CD1 4.38Å; V542-I674 HydrophobicContact CG1-CD1 3.7Å; E543-I674 HydrophobicContact CB-CG2 4.09Å; M546-I674 HydrophobicContact SD-CD1 3.79Å; V670-I674 HydrophobicContact CG1-CD1 4Å; V670-I674 VanDerWaalsContact O-CG1 3.31Å; V670-I674 WeakPolarHBondContact O-CG1 3.1Å; V670-I674 PolarHBondContact O-N 3.45Å; S671-I674 WeakPolarHBondContact O-CB 3.42Å; S671-I674 PolarHBondContact O-N 2.71Å; H672-I674 VanDerWaalsContact C-N 3.3Å; H672-I674 PolarHBondContact O-N 2.93Å; I674-L676 VanDerWaalsContact C-N 3.35Å; I674-L676 PolarHBondContact O-N 3.33Å; I674-I677 PolarHBondContact O-N 2.8Å; I674-I677 VanDerWaalsContact O-N 3.15Å; I674-Q678 HydrophobicContact CG2-CG 4.27Å; I674-Q678 WeakPolarHBondContact O-CG 3.41Å; I674-Q678 PolarHBondContact O-N 3.22Å |
| 675 | Q | 73.6 | Confident | 73.8 | Confident | 5 Ų | 5 | 35 Ų | 35 | 2% | 0.023 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.1 | -41.3 | 178.8 | -73.1 | 179.8 | -4.4 | 0 | 0 | 112.7 | E543 N564 L611 S671 H672 I677 Q678 W679 | E543-Q675 WeakPolarHBondContact OE1-CG 3.13Å; E543-Q675 PolarHBondContact OE1-NE2 2.84Å; N564-Q675 PolarHBondContact OD1-NE2 3.42Å; L611-Q675 HydrophobicContact CD1-CB 4.14Å; L611-Q675 HydrophobicContact CD2-CB 4.15Å; L611-Q675 HydrophobicContact CG-CB 4.24Å; S671-Q675 WeakPolarHBondContact O-CG 3.32Å; S671-Q675 PolarHBondContact O-N 3.08Å; H672-Q675 PolarHBondContact O-N 2.86Å; Q675-I677 PolarHBondContact O-N 3.39Å; Q675-Q678 PolarHBondContact O-N 2.97Å; Q675-W679 WeakPolarHBondContact O-CB 3.43Å; Q675-W679 PolarHBondContact O-N 3.4Å |
| 676 | L | 73.5 | Confident | 75 | Confident | 96 Ų | 96 | 35.1 Ų | 35.1 | 50% | 0.503 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.6 | -40.6 | 174.9 | -78 | 168.4 | 0 | 0 | 0 | 112.2 | L611 H672 A673 I674 W679 A680 | L611-L676 HydrophobicContact CD2-CD2 4.32Å; H672-L676 WeakPolarHBondContact O-CB 3.43Å; H672-L676 WeakPolarHBondContact O-CG 3.45Å; H672-L676 PolarHBondContact O-N 3.09Å; A673-L676 PolarHBondContact O-N 3.14Å; I674-L676 VanDerWaalsContact C-N 3.35Å; I674-L676 PolarHBondContact O-N 3.33Å; L676-W679 PolarHBondContact O-N 3.25Å; L676-A680 WeakPolarHBondContact O-CB 3.03Å; L676-A680 PolarHBondContact O-N 3.29Å |
| 677 | I | 80.5 | Confident | 75.7 | Confident | 86 Ų | 86 | 32.6 Ų | 32.6 | 44% | 0.441 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -68.4 | -43.6 | 177.2 | -64.7 | 164.6 | 0 | 0 | 0 | 110.3 | L539 A673 I674 Q675 W679 A680 L681 | L539-I677 HydrophobicContact CD1-CB 4.23Å; L539-I677 HydrophobicContact CD1-CG2 3.55Å; A673-I677 WeakPolarHBondContact O-CD1 3.33Å; A673-I677 VanDerWaalsContact O-CG1 3.23Å; A673-I677 WeakPolarHBondContact O-CG1 3.39Å; A673-I677 PolarHBondContact O-N 2.9Å; I674-I677 PolarHBondContact O-N 2.8Å; I674-I677 VanDerWaalsContact O-N 3.15Å; Q675-I677 PolarHBondContact O-N 3.39Å; I677-W679 VanDerWaalsContact C-N 3.31Å; I677-W679 PolarHBondContact O-N 2.89Å; I677-A680 PolarHBondContact O-N 2.96Å; I677-L681 HydrophobicContact CG2-CD1 4.03Å; I677-L681 HydrophobicContact CG2-CG 4.39Å; I677-L681 WeakPolarHBondContact O-CB 3.45Å; I677-L681 WeakPolarHBondContact O-CG 3.48Å; I677-L681 PolarHBondContact O-N 2.94Å |
| 678 | Q | 81.6 | Confident | 76.7 | Confident | 6 Ų | 6 | 31.4 Ų | 31.4 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.6 | -45.8 | 174.3 | -73.8 | 167.7 | -17.3 | 0 | 0 | 110.8 | L536 L539 T540 E543 I674 Q675 A680 L681 T682 | L536-Q678 HydrophobicContact CD2-CB 3.93Å; L536-Q678 HydrophobicContact CD2-CG 4.15Å; L536-Q678 WeakPolarHBondContact CD2-O 3.43Å; L539-Q678 HydrophobicContact CB-CG 3.84Å; L539-Q678 HydrophobicContact CD1-CG 4.16Å; T540-Q678 VanDerWaalsContact CA-NE2 3.35Å; T540-Q678 PolarHBondContact OG1-NE2 2.86Å; E543-Q678 PolarHBondContact OE2-NE2 2.97Å; E543-Q678 PolarHBondContact OE2-OE1 3.08Å; I674-Q678 HydrophobicContact CG2-CG 4.27Å; I674-Q678 WeakPolarHBondContact O-CG 3.41Å; I674-Q678 PolarHBondContact O-N 3.22Å; Q675-Q678 PolarHBondContact O-N 2.97Å; Q678-A680 PolarHBondContact O-N 3.22Å; Q678-L681 PolarHBondContact O-N 3.23Å; Q678-T682 WeakPolarHBondContact O-CB 3.37Å; Q678-T682 PolarHBondContact O-N 3.37Å; Q678-T682 PolarHBondContact O-OG1 3.32Å |
| 679 | W | 75.9 | Confident | 77.6 | Confident | 32 Ų | 32 | 31 Ų | 31 | 12% | 0.121 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.9 | -48.5 | 175.9 | 175.4 | 83.9 | 0 | 0 | 0 | 111.8 | L78 I81 Y608 Q675 L676 I677 L681 T682 V683 | L78-W679 HydrophobicContact CD2-CH2 4.24Å; L78-W679 HydrophobicContact CD2-CZ2 3.82Å; L78-W679 HydrophobicContact CG-CZ2 4.12Å; I81-W679 HydrophobicContact CD1-CH2 4.32Å; Y608-W679 AromaticContact CD2-NE1 3.78Å; Q675-W679 WeakPolarHBondContact O-CB 3.43Å; Q675-W679 PolarHBondContact O-N 3.4Å; L676-W679 PolarHBondContact O-N 3.25Å; I677-W679 VanDerWaalsContact C-N 3.31Å; I677-W679 PolarHBondContact O-N 2.89Å; W679-L681 VanDerWaalsContact C-N 3.32Å; W679-L681 PolarHBondContact O-N 3.14Å; W679-T682 WeakPolarHBondContact O-CA 3.42Å; W679-T682 WeakPolarHBondContact O-CB 3.41Å; W679-T682 PolarHBondContact O-N 3.29Å; W679-V683 HydrophobicContact CD2-CG2 4.13Å; W679-V683 HydrophobicContact CH2-CG2 4.24Å; W679-V683 HydrophobicContact CZ2-CG2 3.79Å; W679-V683 WeakPolarHBondContact O-CG2 3.29Å; W679-V683 PolarHBondContact O-N 3.03Å |
| 680 | A | 78.1 | Confident | 78 | Confident | 42 Ų | 42 | 28.8 Ų | 28.8 | 35% | 0.347 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.8 | -43.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L676 I677 Q678 T682 V683 V684 | L676-A680 WeakPolarHBondContact O-CB 3.03Å; L676-A680 PolarHBondContact O-N 3.29Å; I677-A680 PolarHBondContact O-N 2.96Å; Q678-A680 PolarHBondContact O-N 3.22Å; A680-T682 VanDerWaalsContact C-N 3.3Å; A680-T682 PolarHBondContact O-N 2.89Å; A680-V683 PolarHBondContact O-N 2.93Å; A680-V684 VanDerWaalsContact O-CG2 3.3Å; A680-V684 WeakPolarHBondContact O-CG2 3.45Å; A680-V684 PolarHBondContact O-N 2.8Å |
| 681 | L | 86.1 | Confident | 78.3 | Confident | 35 Ų | 35 | 26.4 Ų | 26.4 | 18% | 0.183 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.8 | -34.7 | 174.8 | -73.8 | 171.8 | 0 | 0 | 0 | 112.4 | A535 L536 L539 I677 Q678 W679 V684 S685 | A535-L681 HydrophobicContact CB-CD1 3.78Å; L536-L681 HydrophobicContact CD2-CB 3.8Å; L536-L681 HydrophobicContact CD2-CD1 4.24Å; L536-L681 HydrophobicContact CG-CB 4.01Å; L536-L681 HydrophobicContact CG-CD1 4.31Å; L539-L681 HydrophobicContact CD1-CD1 3.58Å; I677-L681 HydrophobicContact CG2-CD1 4.03Å; I677-L681 HydrophobicContact CG2-CG 4.39Å; I677-L681 WeakPolarHBondContact O-CB 3.45Å; I677-L681 WeakPolarHBondContact O-CG 3.48Å; I677-L681 PolarHBondContact O-N 2.94Å; Q678-L681 PolarHBondContact O-N 3.23Å; W679-L681 VanDerWaalsContact C-N 3.32Å; W679-L681 PolarHBondContact O-N 3.14Å; L681-V684 PolarHBondContact O-N 3.02Å; L681-S685 VanDerWaalsContact O-CB 3.29Å; L681-S685 WeakPolarHBondContact O-CB 3.47Å; L681-S685 PolarHBondContact O-N 3.21Å; L681-S685 PolarHBondContact O-OG 3.25Å |
| 682 | T | 82.2 | Confident | 78.6 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.5 | -45.3 | 176.4 | -54.1 | 0 | 0 | 0 | 0 | 110.4 | L574 L600 V604 Q678 W679 A680 V684 S685 V686 | L574-T682 HydrophobicContact CD2-CG2 4.07Å; L600-T682 HydrophobicContact CD2-CG2 3.68Å; V604-T682 HydrophobicContact CG2-CG2 3.58Å; Q678-T682 WeakPolarHBondContact O-CB 3.37Å; Q678-T682 PolarHBondContact O-N 3.37Å; Q678-T682 PolarHBondContact O-OG1 3.32Å; W679-T682 WeakPolarHBondContact O-CA 3.42Å; W679-T682 WeakPolarHBondContact O-CB 3.41Å; W679-T682 PolarHBondContact O-N 3.29Å; A680-T682 VanDerWaalsContact C-N 3.3Å; A680-T682 PolarHBondContact O-N 2.89Å; T682-V684 PolarHBondContact O-N 3.16Å; T682-S685 CarbonylContact O-C 3.58Å; T682-S685 WeakPolarHBondContact O-CA 3.39Å; T682-S685 WeakPolarHBondContact O-CB 3.33Å; T682-S685 PolarHBondContact O-N 3Å; T682-S685 VanDerWaalsContact O-N 3.1Å; T682-V686 WeakPolarHBondContact O-CG2 3.19Å; T682-V686 PolarHBondContact O-N 2.85Å |
| 683 | V | 75.9 | Confident | 78.9 | Confident | 9 Ų | 9 | 26.9 Ų | 26.9 | 6% | 0.055 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 174.4 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | L78 V604 W679 A680 S685 V686 T687 | L78-V683 HydrophobicContact CD2-CG1 4.49Å; L78-V683 HydrophobicContact CD2-CG2 4.31Å; V604-V683 HydrophobicContact CG1-CG2 4.09Å; V604-V683 HydrophobicContact CG2-CG2 4.06Å; W679-V683 HydrophobicContact CD2-CG2 4.13Å; W679-V683 HydrophobicContact CH2-CG2 4.24Å; W679-V683 HydrophobicContact CZ2-CG2 3.79Å; W679-V683 WeakPolarHBondContact O-CG2 3.29Å; W679-V683 PolarHBondContact O-N 3.03Å; A680-V683 PolarHBondContact O-N 2.93Å; V683-S685 VanDerWaalsContact C-N 3.3Å; V683-S685 PolarHBondContact O-N 3.47Å; V683-V686 PolarHBondContact O-N 3.45Å; V683-T687 PolarHBondContact O-N 3.33Å; V683-T687 VanDerWaalsContact O-N 3.1Å; V683-T687 PolarHBondContact O-OG1 2.94Å |
| 684 | V | 84.2 | Confident | 78.8 | Confident | 69 Ų | 69 | 26.9 Ų | 26.9 | 42% | 0.418 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 173.5 | 170.5 | 0 | 0 | 0 | 0 | 110.3 | A680 L681 T682 T687 L688 | A680-V684 VanDerWaalsContact O-CG2 3.3Å; A680-V684 WeakPolarHBondContact O-CG2 3.45Å; A680-V684 PolarHBondContact O-N 2.8Å; L681-V684 PolarHBondContact O-N 3.02Å; T682-V684 PolarHBondContact O-N 3.16Å; V684-T687 WeakPolarHBondContact O-CB 3.4Å; V684-T687 PolarHBondContact O-N 3.3Å; V684-T687 VanDerWaalsContact O-N 3.14Å; V684-L688 HydrophobicContact CG1-CD1 3.82Å; V684-L688 HydrophobicContact CG1-CG 4.16Å; V684-L688 VanDerWaalsContact O-CG 3.32Å; V684-L688 WeakPolarHBondContact O-CG 3.4Å; V684-L688 PolarHBondContact O-N 3.48Å |
| 685 | S | 87 | Confident | 78.5 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 178.5 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | C532 Q578 L681 T682 V683 T687 L688 V689 | C532-S685 WeakPolarHBondContact CB-OG 3.24Å; Q578-S685 PolarHBondContact NE2-OG 3.07Å; L681-S685 VanDerWaalsContact O-CB 3.29Å; L681-S685 WeakPolarHBondContact O-CB 3.47Å; L681-S685 PolarHBondContact O-N 3.21Å; L681-S685 PolarHBondContact O-OG 3.25Å; T682-S685 CarbonylContact O-C 3.58Å; T682-S685 WeakPolarHBondContact O-CA 3.39Å; T682-S685 WeakPolarHBondContact O-CB 3.33Å; T682-S685 PolarHBondContact O-N 3Å; T682-S685 VanDerWaalsContact O-N 3.1Å; V683-S685 VanDerWaalsContact C-N 3.3Å; V683-S685 PolarHBondContact O-N 3.47Å; S685-T687 PolarHBondContact O-N 3.41Å; S685-L688 PolarHBondContact O-N 3.43Å; S685-V689 WeakPolarHBondContact O-CB 3.49Å; S685-V689 VanDerWaalsContact O-CG2 3.25Å; S685-V689 WeakPolarHBondContact O-CG2 3.43Å; S685-V689 PolarHBondContact O-N 3.31Å |
| 686 | V | 81 | Confident | 78.5 | Confident | 17 Ų | 17 | 28.4 Ų | 28.4 | 10% | 0.103 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54 | -47.2 | 172 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | F597 L600 V604 T682 V683 V689 A690 | F597-V686 HydrophobicContact CE2-CG1 4.1Å; L600-V686 HydrophobicContact CB-CG2 3.52Å; L600-V686 HydrophobicContact CG-CG2 4.47Å; V604-V686 HydrophobicContact CG2-CG2 3.92Å; T682-V686 WeakPolarHBondContact O-CG2 3.19Å; T682-V686 PolarHBondContact O-N 2.85Å; V683-V686 PolarHBondContact O-N 3.45Å; V686-V689 PolarHBondContact O-N 2.73Å; V686-A690 WeakPolarHBondContact O-CB 3.36Å; V686-A690 PolarHBondContact O-N 2.98Å |
| 687 | T | 77.1 | Confident | 78.2 | Confident | 18 Ų | 18 | 26 Ų | 26 | 11% | 0.11 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.5 | -46 | -178.4 | -52.4 | 0 | 0 | 0 | 0 | 111.1 | L94 V683 V684 S685 V689 A690 V691 | L94-T687 HydrophobicContact CD2-CG2 4.34Å; V683-T687 PolarHBondContact O-N 3.33Å; V683-T687 VanDerWaalsContact O-N 3.1Å; V683-T687 PolarHBondContact O-OG1 2.94Å; V684-T687 WeakPolarHBondContact O-CB 3.4Å; V684-T687 PolarHBondContact O-N 3.3Å; V684-T687 VanDerWaalsContact O-N 3.14Å; S685-T687 PolarHBondContact O-N 3.41Å; T687-V689 VanDerWaalsContact C-N 3.33Å; T687-V689 PolarHBondContact O-N 3.15Å; T687-A690 PolarHBondContact O-N 2.97Å; T687-V691 VanDerWaalsContact O-CG2 3.28Å; T687-V691 WeakPolarHBondContact O-CG2 3.37Å; T687-V691 PolarHBondContact O-N 3.26Å |
| 688 | L | 83.5 | Confident | 77.6 | Confident | 33 Ų | 33 | 28.7 Ų | 28.7 | 17% | 0.173 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.3 | -37.8 | 177.8 | -69.7 | 172.9 | 0 | 0 | 0 | 112.2 | V525 A528 L529 V684 S685 V691 S692 | V525-L688 HydrophobicContact CG1-CB 4.16Å; V525-L688 HydrophobicContact CG1-CD2 4.04Å; V525-L688 VanDerWaalsContact CG1-O 3.29Å; V525-L688 WeakPolarHBondContact CG1-O 3.48Å; A528-L688 HydrophobicContact CB-CD1 4.09Å; A528-L688 HydrophobicContact CB-CD2 4.36Å; L529-L688 HydrophobicContact CB-CD1 4.43Å; L529-L688 HydrophobicContact CD1-CB 3.99Å; L529-L688 HydrophobicContact CD1-CD1 4.34Å; V684-L688 HydrophobicContact CG1-CD1 3.82Å; V684-L688 HydrophobicContact CG1-CG 4.16Å; V684-L688 VanDerWaalsContact O-CG 3.32Å; V684-L688 WeakPolarHBondContact O-CG 3.4Å; V684-L688 PolarHBondContact O-N 3.48Å; S685-L688 PolarHBondContact O-N 3.43Å; L688-V691 PolarHBondContact O-N 3.49Å; L688-S692 WeakPolarHBondContact O-CB 3.5Å; L688-S692 PolarHBondContact O-N 3.25Å; L688-S692 PolarHBondContact O-OG 2.94Å |
| 689 | V | 82.4 | Confident | 76.9 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.3 | -44.1 | 174.4 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | L529 L593 L596 F597 L600 S685 V686 T687 V691 S692 F693 | L529-V689 HydrophobicContact CD1-CG2 3.82Å; L529-V689 HydrophobicContact CD2-CG2 3.61Å; L529-V689 HydrophobicContact CG-CG2 4.41Å; L593-V689 HydrophobicContact CD2-CG1 3.74Å; L593-V689 HydrophobicContact CG-CG1 4.39Å; L596-V689 HydrophobicContact CD2-CG2 3.71Å; L596-V689 HydrophobicContact CG-CG2 4.14Å; F597-V689 HydrophobicContact CB-CG1 3.68Å; F597-V689 HydrophobicContact CD2-CG1 4.05Å; F597-V689 HydrophobicContact CG-CG1 4.35Å; L600-V689 HydrophobicContact CD1-CB 4.44Å; L600-V689 HydrophobicContact CD1-CG2 3.76Å; S685-V689 WeakPolarHBondContact O-CB 3.49Å; S685-V689 VanDerWaalsContact O-CG2 3.25Å; S685-V689 WeakPolarHBondContact O-CG2 3.43Å; S685-V689 PolarHBondContact O-N 3.31Å; V686-V689 PolarHBondContact O-N 2.73Å; T687-V689 VanDerWaalsContact C-N 3.33Å; T687-V689 PolarHBondContact O-N 3.15Å; V689-V691 PolarHBondContact O-N 3.23Å; V689-S692 WeakPolarHBondContact O-CB 3.29Å; V689-S692 PolarHBondContact O-N 2.83Å; V689-S692 VanDerWaalsContact O-N 3.14Å; V689-F693 HydrophobicContact CG1-CD2 4.37Å; V689-F693 HydrophobicContact CG1-CE2 3.77Å; V689-F693 HydrophobicContact CG1-CZ 4.1Å; V689-F693 WeakPolarHBondContact O-CD2 3.4Å; V689-F693 PolarHBondContact O-N 3.36Å |
| 690 | A | 73.3 | Confident | 76.3 | Confident | 17 Ų | 17 | 34 Ų | 34 | 14% | 0.14 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61 | -43.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | F597 V686 T687 S692 F693 E694 | F597-A690 HydrophobicContact CE2-CB 4.45Å; V686-A690 WeakPolarHBondContact O-CB 3.36Å; V686-A690 PolarHBondContact O-N 2.98Å; T687-A690 PolarHBondContact O-N 2.97Å; A690-S692 VanDerWaalsContact C-N 3.3Å; A690-S692 PolarHBondContact O-N 3.45Å; A690-F693 WeakPolarHBondContact O-CB 3.4Å; A690-F693 PolarHBondContact O-N 3.37Å; A690-E694 PolarHBondContact O-N 2.98Å; A690-E694 VanDerWaalsContact O-N 3.13Å |
| 691 | V | 77.2 | Confident | 75.6 | Confident | 21 Ų | 21 | 37.4 Ų | 37.4 | 13% | 0.127 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63 | -38.9 | 174.2 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | F91 V525 T687 L688 V689 F693 E694 L695 | F91-V691 HydrophobicContact CD2-CG2 4.05Å; F91-V691 HydrophobicContact CE2-CG1 4.43Å; F91-V691 HydrophobicContact CE2-CG2 3.63Å; V525-V691 HydrophobicContact CG1-CG1 4.45Å; V525-V691 HydrophobicContact CG2-CG1 4.1Å; T687-V691 VanDerWaalsContact O-CG2 3.28Å; T687-V691 WeakPolarHBondContact O-CG2 3.37Å; T687-V691 PolarHBondContact O-N 3.26Å; L688-V691 PolarHBondContact O-N 3.49Å; V689-V691 PolarHBondContact O-N 3.23Å; V691-F693 VanDerWaalsContact C-N 3.3Å; V691-F693 PolarHBondContact O-N 3.35Å; V691-E694 PolarHBondContact O-N 3.27Å; V691-L695 HydrophobicContact CG1-CD1 3.95Å; V691-L695 HydrophobicContact CG1-CG 4.31Å; V691-L695 WeakPolarHBondContact O-CG 3.39Å; V691-L695 PolarHBondContact O-N 3.27Å |
| 692 | S | 78.2 | Confident | 74.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 175.5 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | V525 L688 V689 A690 L695 I696 | V525-S692 WeakPolarHBondContact CG1-OG 3.47Å; L688-S692 WeakPolarHBondContact O-CB 3.5Å; L688-S692 PolarHBondContact O-N 3.25Å; L688-S692 PolarHBondContact O-OG 2.94Å; V689-S692 WeakPolarHBondContact O-CB 3.29Å; V689-S692 PolarHBondContact O-N 2.83Å; V689-S692 VanDerWaalsContact O-N 3.14Å; A690-S692 VanDerWaalsContact C-N 3.3Å; A690-S692 PolarHBondContact O-N 3.45Å; S692-L695 PolarHBondContact O-N 3.43Å; S692-I696 WeakPolarHBondContact O-CB 3.48Å; S692-I696 WeakPolarHBondContact O-CD1 3.29Å; S692-I696 WeakPolarHBondContact O-CG1 3.33Å; S692-I696 PolarHBondContact O-N 3.26Å |
| 693 | F | 74.1 | Confident | 73.8 | Confident | 22 Ų | 22 | 43.7 Ų | 43.7 | 10% | 0.096 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.9 | -48.2 | 173.9 | -70 | -46.7 | 0 | 0 | 0 | 113 | W356 L593 I594 F597 V689 A690 V691 L695 I696 L697 | W356-F693 HydrophobicContact CH2-CB 4.11Å; W356-F693 AromaticContact CH2-CD1 3.21Å; W356-F693 HydrophobicContact CH2-CD1 3.21Å; W356-F693 HydrophobicContact CH2-CD2 4.49Å; W356-F693 AromaticContact CH2-CE1 3.61Å; W356-F693 HydrophobicContact CH2-CE1 3.61Å; W356-F693 AromaticContact CH2-CG 3.73Å; W356-F693 HydrophobicContact CH2-CG 3.73Å; W356-F693 HydrophobicContact CH2-CZ 4.42Å; W356-F693 HydrophobicContact CZ2-CD1 4.43Å; W356-F693 AromaticContact CZ3-CD1 3.4Å; W356-F693 HydrophobicContact CZ3-CD1 3.4Å; W356-F693 VanDerWaalsContact CZ3-CD1 3.4Å; W356-F693 AromaticContact CZ3-CE1 3.87Å; W356-F693 HydrophobicContact CZ3-CE1 3.87Å; W356-F693 HydrophobicContact CZ3-CG 4.24Å; L593-F693 HydrophobicContact CB-CE1 3.94Å; L593-F693 HydrophobicContact CB-CZ 4.3Å; L593-F693 HydrophobicContact CD2-CD1 3.63Å; L593-F693 HydrophobicContact CD2-CE1 3.35Å; L593-F693 HydrophobicContact CD2-CE2 4.28Å; L593-F693 HydrophobicContact CD2-CG 4.22Å; L593-F693 HydrophobicContact CD2-CZ 3.68Å; L593-F693 HydrophobicContact CG-CE1 4.25Å; L593-F693 WeakPolarHBondContact O-CZ 3.46Å; I594-F693 HydrophobicContact CB-CZ 4.29Å; I594-F693 HydrophobicContact CG1-CE1 3.6Å; I594-F693 HydrophobicContact CG1-CZ 3.64Å; F597-F693 HydrophobicContact CB-CE2 3.6Å; F597-F693 HydrophobicContact CB-CZ 3.93Å; F597-F693 HydrophobicContact CD1-CE2 4.45Å; F597-F693 AromaticContact CD2-CE2 3.95Å; F597-F693 HydrophobicContact CD2-CE2 3.95Å; F597-F693 AromaticContact CG-CE2 3.74Å; F597-F693 HydrophobicContact CG-CE2 3.74Å; F597-F693 HydrophobicContact CG-CZ 4.5Å; V689-F693 HydrophobicContact CG1-CD2 4.37Å; V689-F693 HydrophobicContact CG1-CE2 3.77Å; V689-F693 HydrophobicContact CG1-CZ 4.1Å; V689-F693 WeakPolarHBondContact O-CD2 3.4Å; V689-F693 PolarHBondContact O-N 3.36Å; A690-F693 WeakPolarHBondContact O-CB 3.4Å; A690-F693 PolarHBondContact O-N 3.37Å; V691-F693 VanDerWaalsContact C-N 3.3Å; V691-F693 PolarHBondContact O-N 3.35Å; F693-L695 VanDerWaalsContact C-N 3.3Å; F693-L695 PolarHBondContact O-N 3.02Å; F693-I696 PolarHBondContact O-N 3.34Å; F693-L697 WeakPolarHBondContact O-CB 3.49Å; F693-L697 WeakPolarHBondContact O-CG 3.37Å; F693-L697 PolarHBondContact O-N 3.46Å |
| 694 | E | 70.9 | Confident | 73 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.4 | -41.2 | 178.1 | -77.2 | -73 | 170.8 | 0 | 0 | 112 | A690 V691 L697 R698 | A690-E694 PolarHBondContact O-N 2.98Å; A690-E694 VanDerWaalsContact O-N 3.13Å; V691-E694 PolarHBondContact O-N 3.27Å; E694-L697 WeakPolarHBondContact O-CB 3.36Å; E694-L697 PolarHBondContact O-N 3.26Å; E694-R698 WeakPolarHBondContact O-CG 3.38Å; E694-R698 PolarHBondContact O-N 2.94Å |
| 695 | L | 72.5 | Confident | 72 | Confident | 36 Ų | 36 | 49.9 Ų | 49.9 | 19% | 0.188 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.6 | -40 | 177 | -71.1 | 173.2 | 0 | 0 | 0 | 112.3 | A521 L522 V525 V691 S692 F693 L697 R698 N699 | A521-L695 HydrophobicContact CB-CD1 4.28Å; A521-L695 HydrophobicContact CB-CD2 4.35Å; L522-L695 HydrophobicContact CD1-CB 4.39Å; V525-L695 HydrophobicContact CG2-CD1 3.86Å; V691-L695 HydrophobicContact CG1-CD1 3.95Å; V691-L695 HydrophobicContact CG1-CG 4.31Å; V691-L695 WeakPolarHBondContact O-CG 3.39Å; V691-L695 PolarHBondContact O-N 3.27Å; S692-L695 PolarHBondContact O-N 3.43Å; F693-L695 VanDerWaalsContact C-N 3.3Å; F693-L695 PolarHBondContact O-N 3.02Å; L695-L697 VanDerWaalsContact C-N 3.33Å; L695-R698 PolarHBondContact O-N 3.03Å; L695-N699 WeakPolarHBondContact O-CB 3.41Å; L695-N699 PolarHBondContact O-N 3.48Å |
| 696 | I | 73 | Confident | 70.7 | Confident | 15 Ų | 15 | 56 Ų | 56 | 8% | 0.077 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.1 | -43 | 175.1 | -70.2 | 165 | 0 | 0 | 0 | 110.3 | I514 L522 S692 F693 N699 R700 | I514-I696 HydrophobicContact CD1-CD1 3.91Å; I514-I696 HydrophobicContact CD1-CG1 4.06Å; I514-I696 HydrophobicContact CD1-CG2 3.77Å; L522-I696 HydrophobicContact CD1-CD1 4.29Å; L522-I696 HydrophobicContact CD1-CG1 3.99Å; L522-I696 HydrophobicContact CD2-CD1 4.45Å; L522-I696 HydrophobicContact CD2-CG1 3.8Å; S692-I696 WeakPolarHBondContact O-CB 3.48Å; S692-I696 WeakPolarHBondContact O-CD1 3.29Å; S692-I696 WeakPolarHBondContact O-CG1 3.33Å; S692-I696 PolarHBondContact O-N 3.26Å; F693-I696 PolarHBondContact O-N 3.34Å; I696-N699 PolarHBondContact O-N 3.26Å; I696-R700 WeakPolarHBondContact O-CB 3.18Å; I696-R700 PolarHBondContact O-N 3Å |
| 697 | L | 66.9 | Low | 69.5 | Low | 45 Ų | 45 | 58 Ų | 58 | 24% | 0.236 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.6 | -52.8 | 176.1 | -83.9 | 165.1 | 0 | 0 | 0 | 111.8 | W356 F693 E694 L695 N699 R700 E701 | W356-L697 HydrophobicContact CB-CD2 3.58Å; W356-L697 VanDerWaalsContact CD1-CD2 3.42Å; W356-L697 HydrophobicContact CD2-CD2 3.82Å; W356-L697 HydrophobicContact CD2-CG 4.09Å; W356-L697 HydrophobicContact CG-CD2 3.32Å; W356-L697 HydrophobicContact CG-CG 4.12Å; F693-L697 WeakPolarHBondContact O-CB 3.49Å; F693-L697 WeakPolarHBondContact O-CG 3.37Å; F693-L697 PolarHBondContact O-N 3.46Å; E694-L697 WeakPolarHBondContact O-CB 3.36Å; E694-L697 PolarHBondContact O-N 3.26Å; L695-L697 VanDerWaalsContact C-N 3.33Å; L697-N699 PolarHBondContact O-N 3.43Å; L697-R700 PolarHBondContact O-N 3.49Å; L697-R700 VanDerWaalsContact O-N 3.13Å; L697-E701 PolarHBondContact O-N 3.2Å |
| 698 | R | 67.8 | Low | 68.6 | Low | 143 Ų | 143 | 64.6 Ų | 64.6 | 54% | 0.54 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 179.8 | -73.4 | -179.9 | -177.2 | -165 | -0.8 | 112.6 | E694 L695 R700 E701 S702 | E694-R698 WeakPolarHBondContact O-CG 3.38Å; E694-R698 PolarHBondContact O-N 2.94Å; L695-R698 PolarHBondContact O-N 3.03Å; R698-R700 VanDerWaalsContact C-N 3.29Å; R698-R700 PolarHBondContact O-N 3.25Å; R698-E701 PolarHBondContact O-N 3.34Å; R698-S702 WeakPolarHBondContact O-CB 3.26Å; R698-S702 PolarHBondContact O-N 3.48Å; R698-S702 PolarHBondContact O-OG 2.87Å |
| 699 | N | 67.6 | Low | 67.5 | Low | 78 Ų | 78 | 66.9 Ų | 66.9 | 42% | 0.417 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.3 | -32.4 | 176.8 | -82.9 | -4.7 | 0 | 0 | 0 | 112.6 | L695 I696 L697 S702 R703 | L695-N699 WeakPolarHBondContact O-CB 3.41Å; L695-N699 PolarHBondContact O-N 3.48Å; I696-N699 PolarHBondContact O-N 3.26Å; L697-N699 PolarHBondContact O-N 3.43Å; N699-S702 WeakPolarHBondContact CA-OG 3.27Å; N699-S702 PolarHBondContact O-OG 2.88Å; N699-R703 WeakPolarHBondContact O-CB 3.32Å; N699-R703 WeakPolarHBondContact O-CG 3.23Å; N699-R703 PolarHBondContact O-N 2.86Å; N699-R703 VanDerWaalsContact O-N 3.15Å |
| 700 | R | 63 | Low | 66.4 | Low | 72 Ų | 72 | 73 Ų | 73 | 27% | 0.272 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -73.6 | -43.3 | 177.2 | -171.8 | 171.4 | 174.4 | 163.8 | -7 | 111.3 | Q355 W356 L358 I696 L697 R698 S702 R703 L704 | Q355-R700 PolarHBondContact O-NH1 3.25Å; Q355-R700 PolarHBondContact O-NH2 3.35Å; W356-R700 PolarHBondContact O-NH1 3.4Å; L358-R700 PolarHBondContact O-NH1 2.99Å; I696-R700 WeakPolarHBondContact O-CB 3.18Å; I696-R700 PolarHBondContact O-N 3Å; L697-R700 PolarHBondContact O-N 3.49Å; L697-R700 VanDerWaalsContact O-N 3.13Å; R698-R700 VanDerWaalsContact C-N 3.29Å; R698-R700 PolarHBondContact O-N 3.25Å; R700-S702 VanDerWaalsContact C-N 3.34Å; R700-R703 PolarHBondContact O-N 3.25Å; R700-L704 HydrophobicContact CG-CD1 4.23Å; R700-L704 WeakPolarHBondContact O-CG 3.5Å; R700-L704 PolarHBondContact O-N 3.3Å |
| 701 | E | 64.7 | Low | 65 | Low | 112 Ų | 112 | 75.2 Ų | 75.2 | 52% | 0.523 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 174.7 | -76.4 | -170.6 | 172.7 | 0 | 0 | 112.3 | L697 R698 L704 K705 | L697-E701 PolarHBondContact O-N 3.2Å; R698-E701 PolarHBondContact O-N 3.34Å; E701-L704 PolarHBondContact O-N 3.08Å; E701-K705 WeakPolarHBondContact O-CB 3.47Å; E701-K705 VanDerWaalsContact O-CG 3.29Å; E701-K705 WeakPolarHBondContact O-CG 3.34Å; E701-K705 PolarHBondContact O-N 3.46Å |
| 702 | S | 64.8 | Low | 63.4 | Low | 51 Ų | 51 | 81.7 Ų | 81.7 | 36% | 0.357 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 178.1 | 66.4 | 0 | 0 | 0 | 0 | 111.9 | R698 N699 R700 K705 M706 | R698-S702 WeakPolarHBondContact O-CB 3.26Å; R698-S702 PolarHBondContact O-N 3.48Å; R698-S702 PolarHBondContact O-OG 2.87Å; N699-S702 WeakPolarHBondContact CA-OG 3.27Å; N699-S702 PolarHBondContact O-OG 2.88Å; R700-S702 VanDerWaalsContact C-N 3.34Å; S702-K705 PolarHBondContact O-N 3.02Å; S702-M706 WeakPolarHBondContact O-CG 3.34Å; S702-M706 PolarHBondContact O-N 3.26Å |
| 703 | R | 64 | Low | 61.4 | Low | 117 Ų | 117 | 86.9 Ų | 86.9 | 44% | 0.442 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 174.5 | -78.3 | -176.1 | -175.4 | -174.6 | 2 | 112.4 | E517 N699 R700 K705 M706 E707 | E517-R703 IonicContact OE1-NH2 3.67Å; E517-R703 PolarHBondContact OE1-NH2 3.5Å; N699-R703 WeakPolarHBondContact O-CB 3.32Å; N699-R703 WeakPolarHBondContact O-CG 3.23Å; N699-R703 PolarHBondContact O-N 2.86Å; N699-R703 VanDerWaalsContact O-N 3.15Å; R700-R703 PolarHBondContact O-N 3.25Å; R703-K705 VanDerWaalsContact C-N 3.3Å; R703-K705 PolarHBondContact O-N 3.01Å; R703-M706 PolarHBondContact O-N 3.34Å; R703-E707 WeakPolarHBondContact O-CB 3.46Å; R703-E707 WeakPolarHBondContact O-CG 3.48Å; R703-E707 PolarHBondContact O-N 3.36Å |
| 704 | L | 60.7 | Low | 59.6 | Low | 68 Ų | 68 | 89 Ų | 89 | 36% | 0.356 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 177.4 | -75.3 | 167.6 | 0 | 0 | 0 | 111.8 | R700 E701 E707 M708 | R700-L704 HydrophobicContact CG-CD1 4.23Å; R700-L704 WeakPolarHBondContact O-CG 3.5Å; R700-L704 PolarHBondContact O-N 3.3Å; E701-L704 PolarHBondContact O-N 3.08Å; L704-E707 PolarHBondContact O-N 2.99Å; L704-M708 WeakPolarHBondContact O-CG 3.25Å; L704-M708 PolarHBondContact O-N 2.56Å |
| 705 | K | 63.1 | Low | 57.9 | Low | 141 Ų | 141 | 92 Ų | 92 | 61% | 0.613 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.9 | -40.6 | 174.4 | -74.7 | 173.6 | -179.7 | 172.4 | 0 | 112.1 | E701 S702 R703 M708 A709 | E701-K705 WeakPolarHBondContact O-CB 3.47Å; E701-K705 VanDerWaalsContact O-CG 3.29Å; E701-K705 WeakPolarHBondContact O-CG 3.34Å; E701-K705 PolarHBondContact O-N 3.46Å; S702-K705 PolarHBondContact O-N 3.02Å; R703-K705 VanDerWaalsContact C-N 3.3Å; R703-K705 PolarHBondContact O-N 3.01Å; K705-M708 PolarHBondContact O-N 3.26Å; K705-A709 VanDerWaalsContact O-CB 3.32Å; K705-A709 WeakPolarHBondContact O-CB 3.43Å; K705-A709 PolarHBondContact O-N 3.28Å |
| 706 | M | 59 | Low | 56.2 | Low | 128 Ų | 128 | 95.7 Ų | 95.7 | 63% | 0.631 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67 | -41 | 174.9 | -78 | -172.9 | -178.9 | 0 | 0 | 112.7 | S702 R703 M708 A709 N710 | S702-M706 WeakPolarHBondContact O-CG 3.34Å; S702-M706 PolarHBondContact O-N 3.26Å; R703-M706 PolarHBondContact O-N 3.34Å; M706-M708 VanDerWaalsContact C-N 3.34Å; M706-M708 PolarHBondContact O-N 2.95Å; M706-A709 PolarHBondContact O-N 3.07Å; M706-N710 WeakPolarHBondContact O-CB 3.49Å; M706-N710 PolarHBondContact O-N 3.33Å |
| 707 | E | 56.7 | Low | 54 | Low | 59 Ų | 59 | 100.8 Ų | 100.8 | 28% | 0.276 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 175.6 | -75 | 173.4 | 177.7 | 0 | 0 | 110.8 | R360 R703 L704 | R360-E707 IonicContact CZ-OE1 2.79Å; R360-E707 IonicContact NH1-OE1 3.76Å; R360-E707 VanDerWaalsContact NH2-CD 3.25Å; R360-E707 IonicContact NH2-OE1 2.64Å; R360-E707 PolarHBondContact NH2-OE1 2.97Å; R360-E707 IonicContact NH2-OE2 3.3Å; R360-E707 PolarHBondContact NH2-OE2 3.22Å; R703-E707 WeakPolarHBondContact O-CB 3.46Å; R703-E707 WeakPolarHBondContact O-CG 3.48Å; R703-E707 PolarHBondContact O-N 3.36Å; L704-E707 PolarHBondContact O-N 2.99Å |
| 708 | M | 56.9 | Low | 52.2 | Low | 156 Ų | 156 | 107.6 Ų | 107.6 | 77% | 0.768 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.1 | -36.4 | 173.5 | -71.1 | -171.8 | -163.3 | 0 | 0 | 113.1 | L704 K705 M706 | L704-M708 WeakPolarHBondContact O-CG 3.25Å; L704-M708 PolarHBondContact O-N 2.56Å; K705-M708 PolarHBondContact O-N 3.26Å; M706-M708 VanDerWaalsContact C-N 3.34Å; M706-M708 PolarHBondContact O-N 2.95Å |
| 709 | A | 61.2 | Low | 50.5 | Low | 81 Ų | 81 | 107.6 Ų | 107.6 | 67% | 0.669 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -72.6 | -31.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K705 M706 G711 | K705-A709 VanDerWaalsContact O-CB 3.32Å; K705-A709 WeakPolarHBondContact O-CB 3.43Å; K705-A709 PolarHBondContact O-N 3.28Å; M706-A709 PolarHBondContact O-N 3.07Å; A709-G711 VanDerWaalsContact C-N 3.28Å; A709-G711 PolarHBondContact O-N 3.41Å |
| 710 | N | 59 | Low | 48.8 | Very low | 128 Ų | 128 | 106.5 Ų | 106.5 | 68% | 0.684 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 8.9 | -178.3 | -76.1 | -9.8 | 0 | 0 | 0 | 114.2 | M706 Q712 | M706-N710 WeakPolarHBondContact O-CB 3.49Å; M706-N710 PolarHBondContact O-N 3.33Å; N710-Q712 PolarHBondContact O-N 3.11Å |
| 711 | G | 44.4 | Very low | 47.1 | Very low | 65 Ų | 65 | 112.4 Ų | 112.4 | 67% | 0.67 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.4 | 2.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A709 S713 | A709-G711 VanDerWaalsContact C-N 3.28Å; A709-G711 PolarHBondContact O-N 3.41Å; G711-S713 PolarHBondContact O-N 3.46Å |
| 712 | Q | 42.3 | Very low | 45.6 | Very low | 156 Ų | 156 | 113.8 Ų | 113.8 | 73% | 0.729 | 63% | 0.634 | S | S | * | * | trans | -77.3 | 85.3 | 165.8 | -75.4 | -173.7 | -15.9 | 0 | 0 | 107.1 | N710 S714 | N710-Q712 PolarHBondContact O-N 3.11Å; Q712-S714 PolarHBondContact O-N 3.4Å | ||
| 713 | S | 37 | Very low | 43.8 | Very low | 109 Ų | 109 | 113.6 Ų | 113.6 | 76% | 0.762 | 64% | 0.641 | S | S | * | * | trans | -52.8 | 110.1 | 160.5 | 60.3 | 0 | 0 | 0 | 0 | 106.5 | G711 S715 | G711-S713 PolarHBondContact O-N 3.46Å; S713-S715 PolarHBondContact O-N 3.18Å; S713-S715 VanDerWaalsContact O-N 3.13Å | ||
| 714 | S | 36.1 | Very low | 42.2 | Very low | 68 Ų | 68 | 119.3 Ų | 119.3 | 48% | 0.476 | 66% | 0.664 | S | S | . | * | trans | -55.5 | 125.8 | 154.8 | 45.1 | 0 | 0 | 0 | 0 | 104.7 | Q712 I716 | Q712-S714 PolarHBondContact O-N 3.4Å; S714-I716 PolarHBondContact O-N 3.03Å; S714-I716 WeakPolarHBondContact OG-CD1 3.33Å; S714-I716 WeakPolarHBondContact OG-CG1 3.44Å | ||
| 715 | S | 34.8 | Very low | 40.6 | Very low | 105 Ų | 105 | 119.8 Ų | 119.8 | 73% | 0.734 | 68% | 0.678 | S | S | * | * | trans | -58.7 | 78.5 | 165.6 | 52.7 | 0 | 0 | 0 | 0 | 107.7 | S713 T717 | S713-S715 PolarHBondContact O-N 3.18Å; S713-S715 VanDerWaalsContact O-N 3.13Å; S715-T717 PolarHBondContact O-N 2.93Å | ||
| 716 | I | 37.3 | Very low | 39 | Very low | 113 Ų | 113 | 120.2 Ų | 120.2 | 58% | 0.579 | 69% | 0.687 | S | S | * | * | trans | -90.9 | 57.8 | 159.2 | -53.7 | 175.6 | 0 | 0 | 0 | 104.4 | S714 L719 | S714-I716 PolarHBondContact O-N 3.03Å; S714-I716 WeakPolarHBondContact OG-CD1 3.33Å; S714-I716 WeakPolarHBondContact OG-CG1 3.44Å; I716-L719 HydrophobicContact CG2-CB 4.16Å; I716-L719 HydrophobicContact CG2-CD1 3.9Å | ||
| 717 | T | 27.3 | Very low | 37.6 | Very low | 121 Ų | 121 | 120.8 Ų | 120.8 | 74% | 0.742 | 69% | 0.688 | S | S | * | * | trans | -77 | 114.5 | 155.4 | 29.9 | 0 | 0 | 0 | 0 | 105.4 | S715 | S715-T717 PolarHBondContact O-N 2.93Š| ||
| 718 | Q | 29.2 | Very low | 36.2 | Very low | 188 Ų | 188 | 123 Ų | 123 | 88% | 0.879 | 71% | 0.705 | S | S | * | * | trans | 74.4 | 59.2 | 173.6 | -53 | -177.3 | -9.1 | 0 | 0 | 117.2 | G720 | Q718-G720 PolarHBondContact O-N 3.15Š| ||
| 719 | L | 32.1 | Very low | 34.9 | Very low | 143 Ų | 143 | 120.4 Ų | 120.4 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | trans | -74.7 | 94.5 | 135.5 | -116.7 | 101.2 | 0 | 0 | 0 | 105.9 | I716 E721 | I716-L719 HydrophobicContact CG2-CB 4.16Å; I716-L719 HydrophobicContact CG2-CD1 3.9Å; L719-E721 PolarHBondContact O-N 3.37Å | ||
| 720 | G | 30.5 | Very low | 33.5 | Very low | 55 Ų | 55 | 122.9 Ų | 122.9 | 57% | 0.567 | 70% | 0.701 | S | S | * | * | trans | -47.6 | 127.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q718 I722 | Q718-G720 PolarHBondContact O-N 3.15Å; G720-I722 PolarHBondContact O-N 3.43Å | ||
| 721 | E | 28.8 | Very low | 31.9 | Very low | 196 Ų | 196 | 125 Ų | 125 | 92% | 0.916 | 70% | 0.704 | S | S | * | * | trans | -50.1 | 90 | 161.5 | -68.9 | 178 | 142.8 | 0 | 0 | 107.6 | L719 G723 | L719-E721 PolarHBondContact O-N 3.37Å; E721-G723 PolarHBondContact O-N 3.37Å | ||
| 722 | I | 31.6 | Very low | 31.3 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 72% | 0.723 | 73% | 0.733 | S | S | * | * | trans | -74.1 | 84.6 | 154 | -58 | 177.4 | 0 | 0 | 0 | 103.1 | G720 Y724 | G720-I722 PolarHBondContact O-N 3.43Å; I722-Y724 PolarHBondContact O-N 3.42Å; I722-Y724 VanDerWaalsContact O-N 3.13Å | ||
| 723 | G | 28.1 | Very low | 30.8 | Very low | 48 Ų | 48 | 130 Ų | 130 | 50% | 0.495 | 73% | 0.733 | S | S | . | * | trans | -48.5 | 120.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | E721 A725 | E721-G723 PolarHBondContact O-N 3.37Å; G723-A725 PolarHBondContact O-N 3.45Å | ||
| 724 | Y | 29.7 | Very low | 30.5 | Very low | 236 Ų | 236 | 131.1 Ų | 131.1 | 93% | 0.925 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -69.2 | 50.4 | 149.4 | -74.9 | -88.4 | 0 | 0 | 0 | 108.7 | I722 | I722-Y724 PolarHBondContact O-N 3.42Å; I722-Y724 VanDerWaalsContact O-N 3.13Å |
| 725 | A | 27.6 | Very low | 30.1 | Very low | 78 Ų | 78 | 134.6 Ų | 134.6 | 65% | 0.645 | 75% | 0.746 | S | S | * | * | trans | -120.9 | 57 | 178.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | G723 | G723-A725 PolarHBondContact O-N 3.45Š| ||
| 726 | N | 28.5 | Very low | 29.9 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | trans | -149.6 | 77.7 | 154.1 | -87.2 | -28.1 | 0 | 0 | 0 | 104.7 | V728 | N726-V728 PolarHBondContact O-N 3.45Š| ||
| 727 | E | 30.7 | Very low | 29.4 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 66% | 0.659 | 76% | 0.757 | S | S | * | * | trans | -52.6 | 101.2 | 144.7 | -71.1 | -168.3 | 139.4 | 0 | 0 | 104.9 | R345 P729 | R345-E727 IonicContact CZ-OE1 3.47Å; R345-E727 IonicContact NH1-OE1 2.94Å; R345-E727 PolarHBondContact NH1-OE1 3.48Å; R345-E727 IonicContact NH2-OE1 3.45Å; R345-E727 PolarHBondContact NH2-OE1 3.27Å; E727-P729 VanDerWaalsContact O-CD 3.23Å; E727-P729 WeakPolarHBondContact O-CD 3.43Å | ||
| 728 | V | 28.1 | Very low | 29.5 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 63% | 0.63 | 76% | 0.758 | S | S | * | * | trans | -59.5 | 117.4 | 162.4 | 176.4 | 0 | 0 | 0 | 0 | 104.3 | N726 I730 | N726-V728 PolarHBondContact O-N 3.45Å; V728-I730 VanDerWaalsContact C-N 3.28Å; V728-I730 PolarHBondContact O-N 3.29Å | ||
| 729 | P | 28.4 | Very low | 29.6 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | trans | -66.3 | 102.5 | 166.5 | 29.6 | -29.1 | 0 | 0 | 0 | 104.9 | E727 F731 | E727-P729 VanDerWaalsContact O-CD 3.23Å; E727-P729 WeakPolarHBondContact O-CD 3.43Å; P729-F731 PolarHBondContact O-N 3.43Å | ||
| 730 | I | 31.4 | Very low | 29.4 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 68% | 0.677 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -71.4 | 109.4 | 159.9 | -58.4 | 174.9 | 0 | 0 | 0 | 102.6 | V728 | V728-I730 VanDerWaalsContact C-N 3.28Å; V728-I730 PolarHBondContact O-N 3.29Å |
| 731 | F | 25.4 | Very low | 29.3 | Very low | 172 Ų | 172 | 141.5 Ų | 141.5 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | 98.2 | 128.6 | -171.1 | -60 | -73 | 0 | 0 | 0 | 115.4 | P729 | P729-F731 PolarHBondContact O-N 3.43Š| ||
| 732 | P | 32.9 | Very low | 29.3 | Very low | 197 Ų | 197 | 136.5 Ų | 136.5 | 100% | 1.279 | 75% | 0.751 | S | S | * | * | trans | -63.7 | 0 | 177.6 | 28.8 | -35 | 0 | 0 | 0 | 113.3 |
Retrieved 732 of 732 residues in 221.2 ms
(Link to these results)