| 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 | 31.4 | Very low | 30.8 | Very low | 241 Ų | 241 | 139.1 Ų | 139.1 | 100% | 1.187 | 82% | 0.819 | S | S | * | * | 0 | 90 | 0 | -68.4 | 172.8 | -177 | 0 | 0 | 106.3 | |||||
| 2 | A | 27.3 | Very low | 31.2 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | 68.3 | 103 | 110.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 3 | G | 29.6 | Very low | 32.1 | Very low | 63 Ų | 63 | 139.9 Ų | 139.9 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | cis | 80.8 | 103.2 | 48.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 4 | N | 24.8 | Very low | 32.9 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -165.6 | 108.5 | 144.1 | -100.7 | -9.2 | 0 | 0 | 0 | 111.7 | ||||
| 5 | W | 29.6 | Very low | 33.6 | Very low | 231 Ų | 231 | 135.3 Ų | 135.3 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | -64.4 | 120.2 | 158.5 | -64.5 | 86.4 | 0 | 0 | 0 | 108.4 | T7 | W5-T7 HydrophobicContact CB-CG2 4.37Å; W5-T7 PolarHBondContact O-N 3.29Å | ||
| 6 | I | 29.1 | Very low | 34.2 | Very low | 170 Ų | 170 | 137 Ų | 137 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -86.6 | 82.7 | 158.3 | -58 | -177.6 | 0 | 0 | 0 | 106.3 | ||||
| 7 | T | 38.7 | Very low | 35.6 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | -74.2 | 119.3 | 156.1 | 44.3 | 0 | 0 | 0 | 0 | 108.3 | W5 | W5-T7 HydrophobicContact CB-CG2 4.37Å; W5-T7 PolarHBondContact O-N 3.29Å | ||
| 8 | G | 25.8 | Very low | 37.1 | Very low | 66 Ų | 66 | 125.9 Ų | 125.9 | 68% | 0.68 | 73% | 0.726 | S | S | * | * | trans | 178.2 | 147.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 9 | P | 32.2 | Very low | 38.8 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 80% | 0.799 | 71% | 0.707 | S | S | * | * | cis | -100.3 | 156.5 | -45.6 | 27 | -10.4 | 0 | 0 | 0 | 111.4 | ||||
| 10 | S | 33.6 | Very low | 40.8 | Very low | 89 Ų | 89 | 119.8 Ų | 119.8 | 62% | 0.622 | 69% | 0.686 | S | S | * | * | trans | -17.1 | 126 | 166.4 | 49.8 | 0 | 0 | 0 | 0 | 118 | Q12 | S10-Q12 PolarHBondContact O-N 3.16Š| ||
| 11 | N | 36.5 | Very low | 42.5 | Very low | 158 Ų | 158 | 114.6 Ų | 114.6 | 85% | 0.845 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -35.2 | 88.7 | 149.1 | -82.6 | -23.2 | 0 | 0 | 0 | 113.3 | ||
| 12 | Q | 36.5 | Very low | 44.9 | Very low | 163 Ų | 163 | 107 Ų | 107 | 76% | 0.762 | 62% | 0.618 | S | S | * | * | trans | -140.6 | 19.6 | 170.9 | -78.7 | -164.3 | -4.5 | 0 | 0 | 114.7 | S10 | S10-Q12 PolarHBondContact O-N 3.16Š| ||
| 13 | T | 41.9 | Very low | 47.5 | Very low | 126 Ų | 126 | 108 Ų | 108 | 77% | 0.773 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -121 | 5.8 | 179 | 17.6 | 0 | 0 | 0 | 0 | 115.3 | ||
| 14 | T | 44.1 | Very low | 50.3 | Low | 102 Ų | 102 | 107.9 Ų | 107.9 | 63% | 0.626 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -105.4 | -2.7 | -174.6 | 28.5 | 0 | 0 | 0 | 0 | 116.1 | ||
| 15 | D | 43.4 | Very low | 53.5 | Low | 109 Ų | 109 | 100.1 Ų | 100.1 | 58% | 0.583 | 55% | 0.55 | S | S | * | * | trans | -104 | 1.9 | -171.2 | -154 | 22.6 | 0 | 0 | 0 | 115.9 | G17 S18 | D15-G17 PolarHBondContact O-N 2.99Å; D15-G17 VanDerWaalsContact O-N 3.16Å; D15-S18 PolarHBondContact O-N 3.28Å; D15-S18 WeakPolarHBondContact OD1-CB 3.23Å | ||
| 16 | F | 43 | Very low | 56.5 | Low | 162 Ų | 162 | 89.2 Ų | 89.2 | 71% | 0.711 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -15.6 | 173 | -82.2 | -79.1 | 0 | 0 | 0 | 112.6 | Y274 | F16-Y274 HydrophobicContact CB-CE1 4.4Å; F16-Y274 PolarHBondContact O-OH 3.31Å |
| 17 | G | 58.1 | Low | 59.6 | Low | 23 Ų | 23 | 85.2 Ų | 85.2 | 24% | 0.237 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -1.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | D15 T21 Y274 | D15-G17 PolarHBondContact O-N 2.99Å; D15-G17 VanDerWaalsContact O-N 3.16Å; G17-T21 PolarHBondContact O-OG1 2.89Å; G17-T21 VanDerWaalsContact O-OG1 3.07Å; G17-Y274 VanDerWaalsContact CA-CE2 3.46Å; G17-Y274 WeakPolarHBondContact CA-OH 3.44Å; G17-Y274 PolarHBondContact N-OH 3.43Å |
| 18 | S | 62.9 | Low | 62.3 | Low | 52 Ų | 52 | 82 Ų | 82 | 36% | 0.364 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -49.2 | -171.5 | -169.3 | 0 | 0 | 0 | 0 | 111.9 | D15 H22 | D15-S18 PolarHBondContact O-N 3.28Å; D15-S18 WeakPolarHBondContact OD1-CB 3.23Å; S18-H22 WeakPolarHBondContact O-CB 3.37Å; S18-H22 PolarHBondContact O-CD2 3.26Å; S18-H22 VanDerWaalsContact O-CD2 3.28Å; S18-H22 PolarHBondContact O-N 2.75Å |
| 19 | V | 69.3 | Low | 65.7 | Low | 63 Ų | 63 | 78.8 Ų | 78.8 | 38% | 0.382 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.2 | -48.5 | -170.8 | 179.1 | 0 | 0 | 0 | 0 | 113 | Q23 V24 | V19-Q23 HydrophobicContact CG1-CB 4.49Å; V19-Q23 HydrophobicContact CG1-CG 4.47Å; V19-Q23 WeakPolarHBondContact O-CA 3.41Å; V19-Q23 WeakPolarHBondContact O-CB 3.47Å; V19-Q23 PolarHBondContact O-N 3.12Å; V19-V24 PolarHBondContact O-N 2.97Å |
| 20 | F | 77.9 | Confident | 68.7 | Low | 65 Ų | 65 | 77 Ų | 77 | 29% | 0.285 | 43% | 0.425 | S | S | . | . | I | π-helix | trans | -65.2 | -47.5 | -175.6 | -179.1 | -100.5 | 0 | 0 | 0 | 112 | V24 L25 V282 | F20-V24 HydrophobicContact CD2-CB 3.81Å; F20-V24 HydrophobicContact CD2-CG1 3.98Å; F20-V24 HydrophobicContact CD2-CG2 4.16Å; F20-V24 HydrophobicContact CE2-CB 4.11Å; F20-V24 HydrophobicContact CE2-CG1 3.81Å; F20-V24 WeakPolarHBondContact O-CB 3.15Å; F20-V24 PolarHBondContact O-N 3.16Å; F20-V24 VanDerWaalsContact O-N 3.15Å; F20-L25 HydrophobicContact CD1-CD1 4.28Å; F20-L25 HydrophobicContact CD1-CG 4.14Å; F20-L25 HydrophobicContact CE1-CD1 3.9Å; F20-L25 HydrophobicContact CE1-CD2 3.77Å; F20-L25 HydrophobicContact CE1-CG 3.65Å; F20-L25 HydrophobicContact CZ-CD2 3.81Å; F20-L25 HydrophobicContact CZ-CG 4.04Å; F20-L25 PolarHBondContact O-N 3.3Å; F20-V282 HydrophobicContact CD1-CG2 4.38Å; F20-V282 HydrophobicContact CE1-CG2 3.38Å; F20-V282 HydrophobicContact CZ-CG2 3.59Å |
| 21 | T | 77.8 | Confident | 71.7 | Confident | 11 Ų | 11 | 77.9 Ų | 77.9 | 7% | 0.067 | 42% | 0.422 | C | S | . | . | I | π-helix | trans | -76.5 | -29.8 | -177.7 | 41.6 | 0 | 0 | 0 | 0 | 113.9 | G17 L25 P26 F277 E281 | G17-T21 PolarHBondContact O-OG1 2.89Å; G17-T21 VanDerWaalsContact O-OG1 3.07Å; T21-L25 HydrophobicContact CG2-CD1 3.9Å; T21-P26 WeakPolarHBondContact O-CD 3.33Å; T21-F277 HydrophobicContact CG2-CE1 4.31Å; T21-E281 HydrophobicContact CG2-CB 4.44Å; T21-E281 HydrophobicContact CG2-CG 4.29Å |
| 22 | H | 80.4 | Confident | 74.6 | Confident | 82 Ų | 82 | 71 Ų | 71 | 38% | 0.38 | 39% | 0.385 | S | S | . | . | I | π-helix | trans | -101.4 | -11.2 | -178.4 | -64.7 | -82.2 | 0 | 0 | 0 | 114.7 | S18 E81 | S18-H22 WeakPolarHBondContact O-CB 3.37Å; S18-H22 PolarHBondContact O-CD2 3.26Å; S18-H22 VanDerWaalsContact O-CD2 3.28Å; S18-H22 PolarHBondContact O-N 2.75Å; H22-E81 PolarHBondContact ND1-O 3.41Å |
| 23 | Q | 82.7 | Confident | 77.5 | Confident | 123 Ų | 123 | 63.9 Ų | 63.9 | 58% | 0.575 | 36% | 0.355 | S | S | * | . | I | π-helix | trans | -121.7 | -48.9 | 178.3 | -52.9 | -175.5 | -1.9 | 0 | 0 | 112.3 | V19 V27 | V19-Q23 HydrophobicContact CG1-CB 4.49Å; V19-Q23 HydrophobicContact CG1-CG 4.47Å; V19-Q23 WeakPolarHBondContact O-CA 3.41Å; V19-Q23 WeakPolarHBondContact O-CB 3.47Å; V19-Q23 PolarHBondContact O-N 3.12Å; Q23-V27 VanDerWaalsContact O-CG2 3.27Å; Q23-V27 WeakPolarHBondContact O-CG2 3.46Å |
| 24 | V | 89 | Confident | 80.1 | Confident | 60 Ų | 60 | 60.1 Ų | 60.1 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | I | π-helix | trans | -78.5 | -51 | -173.7 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | V19 F20 V27 L28 | V19-V24 PolarHBondContact O-N 2.97Å; F20-V24 HydrophobicContact CD2-CB 3.81Å; F20-V24 HydrophobicContact CD2-CG1 3.98Å; F20-V24 HydrophobicContact CD2-CG2 4.16Å; F20-V24 HydrophobicContact CE2-CB 4.11Å; F20-V24 HydrophobicContact CE2-CG1 3.81Å; F20-V24 WeakPolarHBondContact O-CB 3.15Å; F20-V24 PolarHBondContact O-N 3.16Å; F20-V24 VanDerWaalsContact O-N 3.15Å; V24-V27 PolarHBondContact O-N 2.92Å; V24-L28 HydrophobicContact CG1-CD1 3.9Å; V24-L28 HydrophobicContact CG1-CG 4.24Å; V24-L28 WeakPolarHBondContact O-CG 3.33Å; V24-L28 PolarHBondContact O-N 3.32Å |
| 25 | L | 90.6 | Very high | 82.7 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.6 | -44.4 | -179.3 | -75.5 | -179 | 0 | 0 | 0 | 113.9 | F20 T21 V27 L28 Y29 E281 F285 | F20-L25 HydrophobicContact CD1-CD1 4.28Å; F20-L25 HydrophobicContact CD1-CG 4.14Å; F20-L25 HydrophobicContact CE1-CD1 3.9Å; F20-L25 HydrophobicContact CE1-CD2 3.77Å; F20-L25 HydrophobicContact CE1-CG 3.65Å; F20-L25 HydrophobicContact CZ-CD2 3.81Å; F20-L25 HydrophobicContact CZ-CG 4.04Å; F20-L25 PolarHBondContact O-N 3.3Å; T21-L25 HydrophobicContact CG2-CD1 3.9Å; L25-V27 VanDerWaalsContact C-N 3.34Å; L25-V27 PolarHBondContact O-N 3.03Å; L25-L28 PolarHBondContact O-N 3.21Å; L25-Y29 WeakPolarHBondContact O-CD2 3.38Å; L25-Y29 PolarHBondContact O-N 3.31Å; L25-E281 HydrophobicContact CD1-CB 3.83Å; L25-F285 HydrophobicContact CD2-CB 3.93Å; L25-F285 HydrophobicContact CD2-CG 4.22Å |
| 26 | P | 93.2 | Very high | 85.2 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.013 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 177.9 | -26.4 | 34.7 | 0 | 0 | 0 | 112.3 | T21 L28 Y29 V30 V78 E81 L82 | T21-P26 WeakPolarHBondContact O-CD 3.33Å; P26-L28 VanDerWaalsContact C-N 3.34Å; P26-L28 PolarHBondContact O-N 3.04Å; P26-Y29 PolarHBondContact O-N 3.43Å; P26-V30 WeakPolarHBondContact O-CG2 3.41Å; P26-V30 PolarHBondContact O-N 2.72Å; P26-V78 HydrophobicContact CB-CG1 4.19Å; P26-E81 HydrophobicContact CG-CB 3.71Å; P26-E81 WeakPolarHBondContact CG-OE2 3.48Å; P26-L82 HydrophobicContact CB-CD1 4.44Å; P26-L82 HydrophobicContact CB-CD2 3.89Å; P26-L82 HydrophobicContact CB-CG 3.98Å; P26-L82 HydrophobicContact CG-CD2 3.99Å; P26-L82 HydrophobicContact CG-CG 4.28Å |
| 27 | V | 94.6 | Very high | 87.8 | Confident | 87 Ų | 87 | 50.4 Ų | 50.4 | 53% | 0.527 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 177.7 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | Q23 V24 L25 Y29 V30 L31 | Q23-V27 VanDerWaalsContact O-CG2 3.27Å; Q23-V27 WeakPolarHBondContact O-CG2 3.46Å; V24-V27 PolarHBondContact O-N 2.92Å; L25-V27 VanDerWaalsContact C-N 3.34Å; L25-V27 PolarHBondContact O-N 3.03Å; V27-Y29 PolarHBondContact O-N 2.91Å; V27-V30 PolarHBondContact O-N 3.42Å; V27-L31 HydrophobicContact CG1-CD1 4.16Å; V27-L31 WeakPolarHBondContact O-CG 3.45Å; V27-L31 PolarHBondContact O-N 2.88Å |
| 28 | L | 95.1 | Very high | 89.6 | Confident | 54 Ų | 54 | 52.4 Ų | 52.4 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 177 | -69.5 | 177.3 | 0 | 0 | 0 | 111.8 | V24 L25 P26 V30 L31 I32 F285 | V24-L28 HydrophobicContact CG1-CD1 3.9Å; V24-L28 HydrophobicContact CG1-CG 4.24Å; V24-L28 WeakPolarHBondContact O-CG 3.33Å; V24-L28 PolarHBondContact O-N 3.32Å; L25-L28 PolarHBondContact O-N 3.21Å; P26-L28 VanDerWaalsContact C-N 3.34Å; P26-L28 PolarHBondContact O-N 3.04Å; L28-V30 VanDerWaalsContact C-N 3.33Å; L28-V30 PolarHBondContact O-N 2.99Å; L28-L31 PolarHBondContact O-N 2.76Å; L28-I32 WeakPolarHBondContact O-CG1 3.43Å; L28-I32 WeakPolarHBondContact O-CG2 3.43Å; L28-I32 PolarHBondContact O-N 2.91Å; L28-F285 HydrophobicContact CB-CD2 4.13Å; L28-F285 HydrophobicContact CB-CE1 4.35Å; L28-F285 HydrophobicContact CB-CE2 3.45Å; L28-F285 VanDerWaalsContact CB-CE2 3.45Å; L28-F285 HydrophobicContact CB-CZ 3.59Å; L28-F285 HydrophobicContact CD1-CD1 4.4Å; L28-F285 HydrophobicContact CD1-CE1 4.06Å; L28-F285 HydrophobicContact CD1-CE2 4.49Å; L28-F285 HydrophobicContact CD1-CZ 4.12Å; L28-F285 HydrophobicContact CD2-CZ 4.37Å; L28-F285 HydrophobicContact CG-CZ 4.25Å |
| 29 | Y | 96.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.6 | -37.2 | 175.8 | -92.9 | -74.5 | 0 | 0 | 0 | 112.9 | L25 P26 V27 I32 G33 F74 R77 F285 A288 | L25-Y29 WeakPolarHBondContact O-CD2 3.38Å; L25-Y29 PolarHBondContact O-N 3.31Å; P26-Y29 PolarHBondContact O-N 3.43Å; V27-Y29 PolarHBondContact O-N 2.91Å; Y29-I32 HydrophobicContact CD1-CD1 4.2Å; Y29-I32 HydrophobicContact CE1-CD1 4.41Å; Y29-G33 WeakPolarHBondContact O-CA 3.38Å; Y29-G33 PolarHBondContact O-N 3.15Å; Y29-F74 HydrophobicContact CD1-CB 4.42Å; Y29-F74 AromaticContact CD1-CD1 3.93Å; Y29-F74 HydrophobicContact CD1-CD1 3.93Å; Y29-F74 AromaticContact CD1-CD2 3.76Å; Y29-F74 HydrophobicContact CD1-CD2 3.76Å; Y29-F74 HydrophobicContact CD1-CE1 4.12Å; Y29-F74 AromaticContact CD1-CE2 3.96Å; Y29-F74 HydrophobicContact CD1-CE2 3.96Å; Y29-F74 AromaticContact CD1-CG 3.77Å; Y29-F74 HydrophobicContact CD1-CG 3.77Å; Y29-F74 HydrophobicContact CD1-CZ 4.15Å; Y29-F74 HydrophobicContact CE1-CD1 4.03Å; Y29-F74 HydrophobicContact CE1-CD2 4.45Å; Y29-F74 AromaticContact CE1-CE1 3.88Å; Y29-F74 HydrophobicContact CE1-CE1 3.88Å; Y29-F74 HydrophobicContact CE1-CE2 4.32Å; Y29-F74 HydrophobicContact CE1-CG 4.33Å; Y29-F74 HydrophobicContact CE1-CZ 4.05Å; Y29-R77 VanDerWaalsContact CE2-CZ 3.5Å; Y29-R77 VanDerWaalsContact CE2-NE 3.32Å; Y29-R77 PolarHBondContact OH-NH1 3.2Å; Y29-F285 HydrophobicContact CD2-CD2 4.02Å; Y29-F285 HydrophobicContact CE2-CB 4.24Å; Y29-F285 AromaticContact CE2-CD2 3.87Å; Y29-F285 HydrophobicContact CE2-CD2 3.87Å; Y29-F285 HydrophobicContact CG-CD2 4.4Å; Y29-A288 HydrophobicContact CE1-CB 3.63Å |
| 30 | V | 96.8 | Very high | 92.4 | Very high | 86 Ų | 86 | 50.1 Ų | 50.1 | 52% | 0.521 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.4 | -46.7 | 173.4 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | P26 V27 L28 G33 G34 V78 | P26-V30 WeakPolarHBondContact O-CG2 3.41Å; P26-V30 PolarHBondContact O-N 2.72Å; V27-V30 PolarHBondContact O-N 3.42Å; L28-V30 VanDerWaalsContact C-N 3.33Å; L28-V30 PolarHBondContact O-N 2.99Å; V30-G33 PolarHBondContact O-N 2.96Å; V30-G34 PolarHBondContact O-N 3.04Å; V30-V78 HydrophobicContact CG2-CG1 3.85Å; V30-V78 HydrophobicContact CG2-CG2 3.99Å |
| 31 | L | 96.8 | Very high | 93.2 | Very high | 106 Ų | 106 | 49.6 Ų | 49.6 | 56% | 0.555 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.8 | -52.3 | 179.6 | -70.1 | 172.2 | 0 | 0 | 0 | 111.6 | V27 L28 G33 G34 V35 | V27-L31 HydrophobicContact CG1-CD1 4.16Å; V27-L31 WeakPolarHBondContact O-CG 3.45Å; V27-L31 PolarHBondContact O-N 2.88Å; L28-L31 PolarHBondContact O-N 2.76Å; L31-G33 VanDerWaalsContact C-N 3.28Å; L31-G33 PolarHBondContact O-N 3.48Å; L31-G34 PolarHBondContact O-N 3.33Å; L31-V35 WeakPolarHBondContact O-CG2 3.42Å; L31-V35 PolarHBondContact O-N 3.38Å; L31-V35 VanDerWaalsContact O-N 3.08Å |
| 32 | I | 96.6 | Very high | 93.9 | Very high | 15 Ų | 15 | 52.5 Ų | 52.5 | 8% | 0.077 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.5 | -28.9 | 180 | 68.6 | 158 | 0 | 0 | 0 | 111.7 | L28 Y29 G36 F74 F285 A288 L289 C292 | L28-I32 WeakPolarHBondContact O-CG1 3.43Å; L28-I32 WeakPolarHBondContact O-CG2 3.43Å; L28-I32 PolarHBondContact O-N 2.91Å; Y29-I32 HydrophobicContact CD1-CD1 4.2Å; Y29-I32 HydrophobicContact CE1-CD1 4.41Å; I32-G36 WeakPolarHBondContact O-CA 3.48Å; I32-G36 PolarHBondContact O-N 3.27Å; I32-F74 HydrophobicContact CD1-CE2 3.61Å; I32-F74 HydrophobicContact CD1-CZ 4.07Å; I32-F74 HydrophobicContact CG1-CD2 4.32Å; I32-F74 HydrophobicContact CG1-CE2 3.77Å; I32-F285 HydrophobicContact CD1-CD2 4.06Å; I32-F285 HydrophobicContact CD1-CE2 3.52Å; I32-F285 HydrophobicContact CD1-CZ 4.25Å; I32-F285 HydrophobicContact CG1-CE2 3.89Å; I32-F285 HydrophobicContact CG2-CE2 4Å; I32-F285 HydrophobicContact CG2-CZ 3.81Å; I32-A288 HydrophobicContact CD1-CB 3.91Å; I32-L289 HydrophobicContact CB-CD2 4.27Å; I32-L289 HydrophobicContact CG2-CD2 3.39Å; I32-L289 HydrophobicContact CG2-CG 4.44Å; I32-C292 PolarHBondContact O-SG 3.29Å; I32-C292 VanDerWaalsContact O-SG 3.36Å |
| 33 | G | 97.1 | Very high | 94.5 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 13% | 0.134 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y29 V30 L31 L37 | Y29-G33 WeakPolarHBondContact O-CA 3.38Å; Y29-G33 PolarHBondContact O-N 3.15Å; V30-G33 PolarHBondContact O-N 2.96Å; L31-G33 VanDerWaalsContact C-N 3.28Å; L31-G33 PolarHBondContact O-N 3.48Å; G33-L37 WeakPolarHBondContact O-CB 3.41Å; G33-L37 PolarHBondContact O-N 3.39Å |
| 34 | G | 97.5 | Very high | 95.1 | Very high | 46 Ų | 46 | 43.3 Ų | 43.3 | 47% | 0.474 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.7 | -49.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | V30 L31 L37 A38 | V30-G34 PolarHBondContact O-N 3.04Å; L31-G34 PolarHBondContact O-N 3.33Å; G34-L37 PolarHBondContact O-N 3.47Å; G34-A38 PolarHBondContact O-N 3.08Å; G34-A38 VanDerWaalsContact O-N 3.1Å |
| 35 | V | 97.2 | Very high | 95.3 | Very high | 78 Ų | 78 | 45 Ų | 45 | 47% | 0.473 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.6 | -50.3 | 178.3 | 174.2 | 0 | 0 | 0 | 0 | 111 | L31 L37 A38 L39 C292 | L31-V35 WeakPolarHBondContact O-CG2 3.42Å; L31-V35 PolarHBondContact O-N 3.38Å; L31-V35 VanDerWaalsContact O-N 3.08Å; V35-L37 VanDerWaalsContact C-N 3.34Å; V35-L37 PolarHBondContact O-N 2.86Å; V35-A38 PolarHBondContact O-N 2.98Å; V35-L39 HydrophobicContact CG1-CD1 3.73Å; V35-L39 HydrophobicContact CG1-CG 4.32Å; V35-L39 VanDerWaalsContact O-CG 3.32Å; V35-L39 WeakPolarHBondContact O-CG 3.44Å; V35-L39 PolarHBondContact O-N 3.24Å; V35-C292 HydrophobicContact CG1-CB 4.46Å |
| 36 | G | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.7 | -41.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I32 L39 N40 L71 | I32-G36 WeakPolarHBondContact O-CA 3.48Å; I32-G36 PolarHBondContact O-N 3.27Å; G36-L39 PolarHBondContact O-N 2.97Å; G36-N40 VanDerWaalsContact O-CB 3.29Å; G36-N40 WeakPolarHBondContact O-CB 3.23Å; G36-N40 PolarHBondContact O-N 3.49Å; G36-N40 PolarHBondContact O-ND2 3.43Å; G36-L71 VanDerWaalsContact C-CD1 3.47Å |
| 37 | L | 97.1 | Very high | 95 | Very high | 92 Ų | 92 | 44.9 Ų | 44.9 | 48% | 0.482 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 177.7 | -175.1 | 64.5 | 0 | 0 | 0 | 111.8 | G33 G34 V35 S41 L68 | G33-L37 WeakPolarHBondContact O-CB 3.41Å; G33-L37 PolarHBondContact O-N 3.39Å; G34-L37 PolarHBondContact O-N 3.47Å; V35-L37 VanDerWaalsContact C-N 3.34Å; V35-L37 PolarHBondContact O-N 2.86Å; L37-S41 WeakPolarHBondContact O-CB 3.33Å; L37-S41 PolarHBondContact O-N 3.23Å; L37-S41 PolarHBondContact O-OG 2.88Å; L37-L68 HydrophobicContact CD1-CD2 4.22Å |
| 38 | A | 96 | Very high | 94.7 | Very high | 65 Ų | 65 | 46.7 Ų | 46.7 | 54% | 0.537 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.3 | -49.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G34 V35 L42 | G34-A38 PolarHBondContact O-N 3.08Å; G34-A38 VanDerWaalsContact O-N 3.1Å; V35-A38 PolarHBondContact O-N 2.98Å; A38-L42 WeakPolarHBondContact O-CB 3.39Å; A38-L42 PolarHBondContact O-N 3.23Å; A38-L42 VanDerWaalsContact O-N 3.08Å |
| 39 | L | 95 | Very high | 94.3 | Very high | 66 Ų | 66 | 52.5 Ų | 52.5 | 35% | 0.346 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.6 | -46.1 | -179 | -65.6 | 173.3 | 0 | 0 | 0 | 112.3 | V35 G36 L42 A43 P295 | V35-L39 HydrophobicContact CG1-CD1 3.73Å; V35-L39 HydrophobicContact CG1-CG 4.32Å; V35-L39 VanDerWaalsContact O-CG 3.32Å; V35-L39 WeakPolarHBondContact O-CG 3.44Å; V35-L39 PolarHBondContact O-N 3.24Å; G36-L39 PolarHBondContact O-N 2.97Å; L39-L42 PolarHBondContact O-N 2.79Å; L39-A43 WeakPolarHBondContact O-CB 3.42Å; L39-A43 PolarHBondContact O-N 3.22Å; L39-P295 HydrophobicContact CB-CB 4.02Å; L39-P295 HydrophobicContact CB-CG 3.58Å; L39-P295 HydrophobicContact CD1-CB 4.3Å; L39-P295 HydrophobicContact CD1-CG 4.14Å; L39-P295 HydrophobicContact CG-CG 4.44Å |
| 40 | N | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -74.2 | -30.7 | -178.2 | -76.7 | -70.1 | 0 | 0 | 0 | 112.9 | G36 A43 A44 D67 L68 L71 V291 | G36-N40 VanDerWaalsContact O-CB 3.29Å; G36-N40 WeakPolarHBondContact O-CB 3.23Å; G36-N40 PolarHBondContact O-N 3.49Å; G36-N40 PolarHBondContact O-ND2 3.43Å; N40-A43 PolarHBondContact O-N 2.86Å; N40-A44 VanDerWaalsContact O-CB 3.29Å; N40-A44 WeakPolarHBondContact O-CB 2.91Å; N40-A44 PolarHBondContact O-N 3.18Å; N40-D67 PolarHBondContact OD1-OD2 3.41Å; N40-L68 HydrophobicContact CB-CD2 3.82Å; N40-L68 HydrophobicContact CB-CG 4.2Å; N40-L71 HydrophobicContact CB-CD1 4.21Å; N40-V291 PolarHBondContact ND2-O 2.96Å |
| 41 | S | 95.2 | Very high | 93 | Very high | 55 Ų | 55 | 52.8 Ų | 52.8 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.5 | -41.6 | 173.6 | -65 | 0 | 0 | 0 | 0 | 111.3 | L37 A43 A44 W45 | L37-S41 WeakPolarHBondContact O-CB 3.33Å; L37-S41 PolarHBondContact O-N 3.23Å; L37-S41 PolarHBondContact O-OG 2.88Å; S41-A43 VanDerWaalsContact C-N 3.3Å; S41-A43 PolarHBondContact O-N 3.45Å; S41-A44 PolarHBondContact O-N 3.25Å; S41-W45 WeakPolarHBondContact O-CB 3.08Å; S41-W45 PolarHBondContact O-N 3.48Å |
| 42 | L | 92.8 | Very high | 92.4 | Very high | 71 Ų | 71 | 49.3 Ų | 49.3 | 37% | 0.372 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 170.2 | 178.1 | 59.3 | 0 | 0 | 0 | 111 | A38 L39 W45 I46 L309 | A38-L42 WeakPolarHBondContact O-CB 3.39Å; A38-L42 PolarHBondContact O-N 3.23Å; A38-L42 VanDerWaalsContact O-N 3.08Å; L39-L42 PolarHBondContact O-N 2.79Å; L42-W45 HydrophobicContact CD1-CE3 4.49Å; L42-W45 PolarHBondContact O-N 2.83Å; L42-I46 HydrophobicContact CD1-CD1 4.27Å; L42-I46 HydrophobicContact CD1-CG1 4.48Å; L42-I46 HydrophobicContact CG-CD1 4.32Å; L42-I46 WeakPolarHBondContact O-CG1 3.29Å; L42-I46 PolarHBondContact O-N 3.46Å; L42-L309 HydrophobicContact CD2-CD1 3.65Å; L42-L309 HydrophobicContact CG-CD1 4.33Å |
| 43 | A | 92.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.8 | -44 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L39 N40 S41 W45 I46 F47 V64 Y298 F305 | L39-A43 WeakPolarHBondContact O-CB 3.42Å; L39-A43 PolarHBondContact O-N 3.22Å; N40-A43 PolarHBondContact O-N 2.86Å; S41-A43 VanDerWaalsContact C-N 3.3Å; S41-A43 PolarHBondContact O-N 3.45Å; A43-W45 VanDerWaalsContact C-N 3.34Å; A43-W45 PolarHBondContact O-N 2.91Å; A43-I46 PolarHBondContact O-N 2.88Å; A43-F47 HydrophobicContact CB-CD2 4.3Å; A43-F47 HydrophobicContact CB-CE2 4.43Å; A43-F47 WeakPolarHBondContact O-CB 3.26Å; A43-F47 VanDerWaalsContact O-CD2 3.26Å; A43-F47 WeakPolarHBondContact O-CD2 3.43Å; A43-F47 PolarHBondContact O-N 3.4Å; A43-V64 HydrophobicContact CB-CG2 4.04Å; A43-Y298 HydrophobicContact CB-CD2 3.86Å; A43-Y298 HydrophobicContact CB-CE2 4.13Å; A43-F305 HydrophobicContact CB-CE2 3.8Å; A43-F305 HydrophobicContact CB-CZ 4.2Å |
| 44 | A | 94.4 | Very high | 91 | Very high | 13 Ų | 13 | 55 Ų | 55 | 11% | 0.107 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.9 | -51.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | N40 S41 I46 F47 F48 V64 L68 | N40-A44 VanDerWaalsContact O-CB 3.29Å; N40-A44 WeakPolarHBondContact O-CB 2.91Å; N40-A44 PolarHBondContact O-N 3.18Å; S41-A44 PolarHBondContact O-N 3.25Å; A44-I46 VanDerWaalsContact C-N 3.26Å; A44-I46 PolarHBondContact O-N 3.49Å; A44-F47 PolarHBondContact O-N 3.15Å; A44-F48 HydrophobicContact CB-CD2 3.87Å; A44-F48 HydrophobicContact CB-CE2 3.85Å; A44-F48 WeakPolarHBondContact O-CB 3.36Å; A44-F48 WeakPolarHBondContact O-CD2 3.32Å; A44-F48 PolarHBondContact O-N 2.73Å; A44-V64 HydrophobicContact CB-CG1 3.72Å; A44-L68 HydrophobicContact CB-CD1 4.19Å |
| 45 | W | 92.5 | Very high | 90.4 | Very high | 94 Ų | 94 | 52.9 Ų | 52.9 | 36% | 0.356 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -57.5 | -37.7 | -179.4 | -179 | 91.8 | 0 | 0 | 0 | 112.8 | S41 L42 A43 R49 K312 | S41-W45 WeakPolarHBondContact O-CB 3.08Å; S41-W45 PolarHBondContact O-N 3.48Å; L42-W45 HydrophobicContact CD1-CE3 4.49Å; L42-W45 PolarHBondContact O-N 2.83Å; A43-W45 VanDerWaalsContact C-N 3.34Å; A43-W45 PolarHBondContact O-N 2.91Å; W45-R49 VanDerWaalsContact CE2-CZ 3.43Å; W45-R49 VanDerWaalsContact NE1-NH2 3.18Å; W45-R49 WeakPolarHBondContact O-CG 3.05Å; W45-K312 HydrophobicContact CH2-CD 3.97Å; W45-K312 HydrophobicContact CZ3-CD 3.56Å |
| 46 | I | 90 | Very high | 89.9 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.7 | -55.5 | 174 | -65.2 | 174.2 | 0 | 0 | 0 | 110.8 | L42 A43 A44 F48 R49 V50 F305 L309 | L42-I46 HydrophobicContact CD1-CD1 4.27Å; L42-I46 HydrophobicContact CD1-CG1 4.48Å; L42-I46 HydrophobicContact CG-CD1 4.32Å; L42-I46 WeakPolarHBondContact O-CG1 3.29Å; L42-I46 PolarHBondContact O-N 3.46Å; A43-I46 PolarHBondContact O-N 2.88Å; A44-I46 VanDerWaalsContact C-N 3.26Å; A44-I46 PolarHBondContact O-N 3.49Å; I46-F48 PolarHBondContact O-N 3.36Å; I46-R49 PolarHBondContact O-N 3.06Å; I46-R49 VanDerWaalsContact O-N 3.15Å; I46-V50 HydrophobicContact CG2-CG2 4.43Å; I46-V50 WeakPolarHBondContact O-CG2 3.48Å; I46-V50 PolarHBondContact O-N 3.49Å; I46-F305 HydrophobicContact CB-CD2 4.07Å; I46-F305 HydrophobicContact CB-CE2 4.19Å; I46-F305 HydrophobicContact CD1-CD2 4.19Å; I46-F305 HydrophobicContact CD1-CE2 3.9Å; I46-F305 HydrophobicContact CD1-CZ 4.27Å; I46-F305 HydrophobicContact CG2-CD2 3.7Å; I46-F305 HydrophobicContact CG2-CE2 4.31Å; I46-F305 HydrophobicContact CG2-CG 4.39Å; I46-L309 HydrophobicContact CD1-CB 4.08Å; I46-L309 HydrophobicContact CD1-CD1 4.12Å |
| 47 | F | 88.5 | Confident | 89.5 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.5 | -37.7 | -170.9 | -79.9 | -58 | 0 | 0 | 0 | 112.9 | A43 A44 R49 V50 L60 K61 V64 Y298 C302 F305 | A43-F47 HydrophobicContact CB-CD2 4.3Å; A43-F47 HydrophobicContact CB-CE2 4.43Å; A43-F47 WeakPolarHBondContact O-CB 3.26Å; A43-F47 VanDerWaalsContact O-CD2 3.26Å; A43-F47 WeakPolarHBondContact O-CD2 3.43Å; A43-F47 PolarHBondContact O-N 3.4Å; A44-F47 PolarHBondContact O-N 3.15Å; F47-R49 PolarHBondContact O-N 3.28Å; F47-V50 PolarHBondContact O-N 3.05Å; F47-L60 HydrophobicContact CE1-CB 4.28Å; F47-L60 HydrophobicContact CE1-CD1 4.21Å; F47-L60 HydrophobicContact CE2-CB 4.38Å; F47-L60 HydrophobicContact CZ-CB 3.98Å; F47-L60 HydrophobicContact CZ-CD1 4Å; F47-K61 HydrophobicContact CB-CG 3.9Å; F47-K61 HydrophobicContact CG-CG 4.44Å; F47-K61 WeakPolarHBondContact O-CE 3.3Å; F47-K61 PolarHBondContact O-NZ 3.39Å; F47-V64 HydrophobicContact CD2-CG2 3.95Å; F47-V64 HydrophobicContact CE2-CG2 4.24Å; F47-Y298 AromaticContact CE2-CD2 3.97Å; F47-Y298 HydrophobicContact CE2-CD2 3.97Å; F47-Y298 AromaticContact CE2-CG 3.9Å; F47-Y298 HydrophobicContact CE2-CG 3.9Å; F47-Y298 HydrophobicContact CZ-CG 4.31Å; F47-C302 HydrophobicContact CE1-CB 4.22Å; F47-C302 HydrophobicContact CZ-CB 4.35Å; F47-F305 HydrophobicContact CD1-CD2 4.36Å; F47-F305 AromaticContact CD2-CD2 3.95Å; F47-F305 HydrophobicContact CD2-CD2 3.95Å; F47-F305 HydrophobicContact CD2-CE2 4.15Å; F47-F305 HydrophobicContact CE1-CB 3.92Å; F47-F305 AromaticContact CE1-CD2 3.9Å; F47-F305 HydrophobicContact CE1-CD2 3.9Å; F47-F305 HydrophobicContact CE1-CG 4.29Å; F47-F305 AromaticContact CE2-CD2 3.46Å; F47-F305 HydrophobicContact CE2-CD2 3.46Å; F47-F305 VanDerWaalsContact CE2-CD2 3.46Å; F47-F305 AromaticContact CE2-CE2 3.72Å; F47-F305 HydrophobicContact CE2-CE2 3.72Å; F47-F305 HydrophobicContact CE2-CG 4.3Å; F47-F305 HydrophobicContact CG-CD2 4.37Å; F47-F305 HydrophobicContact CZ-CB 3.92Å; F47-F305 AromaticContact CZ-CD2 3.43Å; F47-F305 HydrophobicContact CZ-CD2 3.43Å; F47-F305 VanDerWaalsContact CZ-CD2 3.43Å; F47-F305 HydrophobicContact CZ-CE2 4.13Å; F47-F305 AromaticContact CZ-CG 3.86Å; F47-F305 HydrophobicContact CZ-CG 3.86Å |
| 48 | F | 87.2 | Confident | 89.2 | Confident | 124 Ų | 124 | 45.9 Ų | 45.9 | 54% | 0.544 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -15.5 | 178 | -73.6 | -66.1 | 0 | 0 | 0 | 113.3 | A44 I46 V65 | A44-F48 HydrophobicContact CB-CD2 3.87Å; A44-F48 HydrophobicContact CB-CE2 3.85Å; A44-F48 WeakPolarHBondContact O-CB 3.36Å; A44-F48 WeakPolarHBondContact O-CD2 3.32Å; A44-F48 PolarHBondContact O-N 2.73Å; I46-F48 PolarHBondContact O-N 3.36Å; F48-V65 HydrophobicContact CZ-CG2 4Å |
| 49 | R | 87 | Confident | 89.1 | Confident | 176 Ų | 176 | 42.9 Ų | 42.9 | 66% | 0.664 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -14.9 | 170 | -64.5 | -178.9 | -180 | -150.2 | -2 | 113.8 | W45 I46 F47 | W45-R49 VanDerWaalsContact CE2-CZ 3.43Å; W45-R49 VanDerWaalsContact NE1-NH2 3.18Å; W45-R49 WeakPolarHBondContact O-CG 3.05Å; I46-R49 PolarHBondContact O-N 3.06Å; I46-R49 VanDerWaalsContact O-N 3.15Å; F47-R49 PolarHBondContact O-N 3.28Å |
| 50 | V | 83.1 | Confident | 88.9 | Confident | 18 Ų | 18 | 39.7 Ų | 39.7 | 11% | 0.109 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -90.4 | 127.8 | 178.3 | 175 | 0 | 0 | 0 | 0 | 109 | I46 F47 K61 K304 | I46-V50 HydrophobicContact CG2-CG2 4.43Å; I46-V50 WeakPolarHBondContact O-CG2 3.48Å; I46-V50 PolarHBondContact O-N 3.49Å; F47-V50 PolarHBondContact O-N 3.05Å; V50-K61 WeakPolarHBondContact O-CE 3.39Å; V50-K61 PolarHBondContact O-NZ 3.43Å; V50-K304 HydrophobicContact CG1-CB 4.27Å; V50-K304 HydrophobicContact CG1-CD 3.66Å |
| 51 | P | 83.6 | Confident | 88.8 | Confident | 74 Ų | 74 | 41 Ų | 41 | 48% | 0.481 | 21% | 0.209 | S | C | . | . | trans | -65.7 | 145.1 | 176.7 | 27.7 | -35 | 0 | 0 | 0 | 111.5 | D53 | P51-D53 WeakPolarHBondContact CB-OD1 3.26Å; P51-D53 WeakPolarHBondContact CG-OD2 3.47Å; P51-D53 PolarHBondContact O-N 3.35Å | ||
| 52 | S | 84.1 | Confident | 88.8 | Confident | 33 Ų | 33 | 39.8 Ų | 39.8 | 23% | 0.231 | 20% | 0.198 | C | C | . | . | trans | -82.1 | 59.4 | -176 | -59.8 | 0 | 0 | 0 | 0 | 112 | S54 K61 | S52-S54 VanDerWaalsContact C-N 3.27Å; S52-S54 PolarHBondContact O-N 3.06Å; S52-K61 PolarHBondContact OG-NZ 2.76Å | ||
| 53 | D | 81.1 | Confident | 88.9 | Confident | 101 Ų | 101 | 36.4 Ų | 36.4 | 54% | 0.54 | 18% | 0.181 | S | C | . | . | trans | -78.1 | -10.5 | -173.7 | -51.4 | -32.3 | 0 | 0 | 0 | 113.5 | P51 K304 | P51-D53 WeakPolarHBondContact CB-OD1 3.26Å; P51-D53 WeakPolarHBondContact CG-OD2 3.47Å; P51-D53 PolarHBondContact O-N 3.35Å; D53-K304 IonicContact OD2-NZ 2.76Å; D53-K304 PolarHBondContact OD2-NZ 3.05Å | ||
| 54 | S | 83.3 | Confident | 89.1 | Confident | 48 Ų | 48 | 36.4 Ų | 36.4 | 34% | 0.336 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -137.1 | 150.9 | 180 | 68.2 | 0 | 0 | 0 | 0 | 112.2 | S52 M56 V57 V58 | S52-S54 VanDerWaalsContact C-N 3.27Å; S52-S54 PolarHBondContact O-N 3.06Å; S54-M56 VanDerWaalsContact C-N 3.28Å; S54-M56 PolarHBondContact O-N 3.49Å; S54-V57 PolarHBondContact O-N 3.4Å; S54-V57 VanDerWaalsContact O-N 3.08Å; S54-V57 WeakPolarHBondContact OG-CG2 3.47Å; S54-V57 PolarHBondContact OG-N 2.83Å; S54-V58 PolarHBondContact O-N 3.14Å |
| 55 | G | 84.2 | Confident | 89.2 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -52.8 | -45.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V57 V58 Y59 T140 | G55-V57 VanDerWaalsContact C-N 3.33Å; G55-V57 PolarHBondContact O-N 3.49Å; G55-V58 WeakPolarHBondContact O-CA 3.21Å; G55-V58 VanDerWaalsContact O-CB 3.31Å; G55-V58 WeakPolarHBondContact O-CB 3.2Å; G55-V58 PolarHBondContact O-N 3.11Å; G55-Y59 WeakPolarHBondContact O-CD2 3.46Å; G55-Y59 PolarHBondContact O-N 3.05Å; G55-T140 VanDerWaalsContact CA-CG2 3.49Å |
| 56 | M | 86.1 | Confident | 89.5 | Confident | 8 Ų | 8 | 33.8 Ų | 33.8 | 4% | 0.039 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -51.2 | -48 | 173.7 | -178.2 | 64 | 47.2 | 0 | 0 | 112.9 | S54 V58 Y59 L60 I115 E118 R119 M301 | S54-M56 VanDerWaalsContact C-N 3.28Å; S54-M56 PolarHBondContact O-N 3.49Å; M56-V58 VanDerWaalsContact C-N 3.27Å; M56-V58 PolarHBondContact O-N 2.98Å; M56-Y59 PolarHBondContact O-N 3.15Å; M56-L60 HydrophobicContact CG-CD1 3.94Å; M56-L60 HydrophobicContact CG-CG 4.41Å; M56-L60 WeakPolarHBondContact O-CG 3.47Å; M56-L60 PolarHBondContact O-N 3.42Å; M56-L60 HydrophobicContact SD-CD1 4.14Å; M56-L60 HydrophobicContact SD-CG 4.2Å; M56-I115 HydrophobicContact CE-CG2 3.83Å; M56-I115 HydrophobicContact SD-CG1 4.45Å; M56-I115 HydrophobicContact SD-CG2 4.05Å; M56-E118 WeakPolarHBondContact CA-OE2 3.41Å; M56-E118 WeakPolarHBondContact CB-OE1 3.32Å; M56-E118 VanDerWaalsContact N-CD 3.31Å; M56-E118 PolarHBondContact N-OE1 2.98Å; M56-E118 PolarHBondContact N-OE2 2.97Å; M56-R119 HydrophobicContact CE-CG 4.1Å; M56-R119 VanDerWaalsContact CE-NH1 3.3Å; M56-M301 HydrophobicContact SD-CB 4.42Å |
| 57 | V | 88.9 | Confident | 89.8 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.03 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.4 | -34.2 | 179.5 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | S54 G55 K61 | S54-V57 PolarHBondContact O-N 3.4Å; S54-V57 VanDerWaalsContact O-N 3.08Å; S54-V57 WeakPolarHBondContact OG-CG2 3.47Å; S54-V57 PolarHBondContact OG-N 2.83Å; G55-V57 VanDerWaalsContact C-N 3.33Å; G55-V57 PolarHBondContact O-N 3.49Å; V57-K61 HydrophobicContact CG1-CD 4.27Å; V57-K61 WeakPolarHBondContact O-CB 3.39Å; V57-K61 VanDerWaalsContact O-CG 3.32Å; V57-K61 WeakPolarHBondContact O-CG 3.41Å; V57-K61 PolarHBondContact O-N 3.47Å |
| 58 | V | 92.1 | Very high | 90.2 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 6% | 0.055 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.9 | -49.9 | 173.4 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | S54 G55 M56 L60 K61 N62 V137 R141 A144 | S54-V58 PolarHBondContact O-N 3.14Å; G55-V58 WeakPolarHBondContact O-CA 3.21Å; G55-V58 VanDerWaalsContact O-CB 3.31Å; G55-V58 WeakPolarHBondContact O-CB 3.2Å; G55-V58 PolarHBondContact O-N 3.11Å; M56-V58 VanDerWaalsContact C-N 3.27Å; M56-V58 PolarHBondContact O-N 2.98Å; V58-L60 PolarHBondContact O-N 3.34Å; V58-K61 PolarHBondContact O-N 2.96Å; V58-N62 PolarHBondContact O-N 2.96Å; V58-N62 VanDerWaalsContact O-N 3.11Å; V58-N62 PolarHBondContact O-ND2 3.36Å; V58-V137 HydrophobicContact CG2-CG1 4.23Å; V58-R141 HydrophobicContact CG1-CG 4.36Å; V58-A144 HydrophobicContact CG1-CB 4.45Å |
| 59 | Y | 92.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 179.4 | -62.6 | -49.2 | 0 | 0 | 0 | 112.5 | G55 M56 K61 N62 M63 L111 L114 I115 E118 T140 L143 | G55-Y59 WeakPolarHBondContact O-CD2 3.46Å; G55-Y59 PolarHBondContact O-N 3.05Å; M56-Y59 PolarHBondContact O-N 3.15Å; Y59-K61 VanDerWaalsContact C-N 3.35Å; Y59-K61 PolarHBondContact O-N 3.3Å; Y59-N62 PolarHBondContact O-N 2.98Å; Y59-N62 VanDerWaalsContact O-N 3.14Å; Y59-M63 PolarHBondContact O-N 2.93Å; Y59-L111 HydrophobicContact CD1-CD2 3.81Å; Y59-L114 HydrophobicContact CD1-CB 4.33Å; Y59-L114 HydrophobicContact CD1-CD1 4.32Å; Y59-L114 HydrophobicContact CE1-CB 3.96Å; Y59-L114 HydrophobicContact CE1-CD1 3.71Å; Y59-L114 HydrophobicContact CE1-CG 4.45Å; Y59-L114 HydrophobicContact CE2-CB 4.28Å; Y59-I115 HydrophobicContact CD2-CG1 4.15Å; Y59-I115 HydrophobicContact CG-CG1 4.16Å; Y59-E118 VanDerWaalsContact CD2-OE2 3.3Å; Y59-E118 WeakPolarHBondContact CD2-OE2 3.43Å; Y59-E118 HydrophobicContact CE2-CB 4.48Å; Y59-E118 WeakPolarHBondContact CE2-OE2 3.31Å; Y59-T140 HydrophobicContact CE2-CG2 3.95Å; Y59-T140 WeakPolarHBondContact OH-CG2 3.42Å; Y59-L143 HydrophobicContact CE1-CB 4.47Å; Y59-L143 VanDerWaalsContact OH-CD1 3.29Å; Y59-L143 WeakPolarHBondContact OH-CD1 3.36Å |
| 60 | L | 92.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.1 | -40 | 178.3 | -65.6 | 174.2 | 0 | 0 | 0 | 112.3 | F47 M56 V58 N62 M63 V64 I115 Y298 C302 | F47-L60 HydrophobicContact CE1-CB 4.28Å; F47-L60 HydrophobicContact CE1-CD1 4.21Å; F47-L60 HydrophobicContact CE2-CB 4.38Å; F47-L60 HydrophobicContact CZ-CB 3.98Å; F47-L60 HydrophobicContact CZ-CD1 4Å; M56-L60 HydrophobicContact CG-CD1 3.94Å; M56-L60 HydrophobicContact CG-CG 4.41Å; M56-L60 WeakPolarHBondContact O-CG 3.47Å; M56-L60 PolarHBondContact O-N 3.42Å; M56-L60 HydrophobicContact SD-CD1 4.14Å; M56-L60 HydrophobicContact SD-CG 4.2Å; V58-L60 PolarHBondContact O-N 3.34Å; L60-N62 VanDerWaalsContact C-N 3.34Å; L60-N62 PolarHBondContact O-N 3.2Å; L60-M63 PolarHBondContact O-N 3.3Å; L60-V64 WeakPolarHBondContact O-CG2 3.49Å; L60-V64 PolarHBondContact O-N 3.06Å; L60-I115 HydrophobicContact CD2-CD1 4.21Å; L60-Y298 HydrophobicContact CD2-CD1 3.65Å; L60-Y298 HydrophobicContact CD2-CE1 4.01Å; L60-C302 HydrophobicContact CD1-CB 3.8Å |
| 61 | K | 93.9 | Very high | 91.9 | Very high | 28 Ų | 28 | 24.3 Ų | 24.3 | 12% | 0.122 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.7 | -43.6 | 173 | -79.4 | 175.7 | 177.7 | -170.5 | 0 | 112.2 | F47 V50 S52 V57 V58 Y59 M63 V64 V65 | F47-K61 HydrophobicContact CB-CG 3.9Å; F47-K61 HydrophobicContact CG-CG 4.44Å; F47-K61 WeakPolarHBondContact O-CE 3.3Å; F47-K61 PolarHBondContact O-NZ 3.39Å; V50-K61 WeakPolarHBondContact O-CE 3.39Å; V50-K61 PolarHBondContact O-NZ 3.43Å; S52-K61 PolarHBondContact OG-NZ 2.76Å; V57-K61 HydrophobicContact CG1-CD 4.27Å; V57-K61 WeakPolarHBondContact O-CB 3.39Å; V57-K61 VanDerWaalsContact O-CG 3.32Å; V57-K61 WeakPolarHBondContact O-CG 3.41Å; V57-K61 PolarHBondContact O-N 3.47Å; V58-K61 PolarHBondContact O-N 2.96Å; Y59-K61 VanDerWaalsContact C-N 3.35Å; Y59-K61 PolarHBondContact O-N 3.3Å; K61-M63 VanDerWaalsContact C-N 3.33Å; K61-V64 PolarHBondContact O-N 3.08Å; K61-V65 WeakPolarHBondContact O-CG2 3.42Å; K61-V65 PolarHBondContact O-N 3.26Å; K61-V65 VanDerWaalsContact O-N 3.15Å |
| 62 | N | 95.5 | Very high | 92.6 | Very high | 28 Ų | 28 | 26.9 Ų | 26.9 | 15% | 0.15 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68 | -34 | 178.6 | -74.6 | -82 | 0 | 0 | 0 | 111.8 | V58 Y59 L60 V65 A66 L111 W148 | V58-N62 PolarHBondContact O-N 2.96Å; V58-N62 VanDerWaalsContact O-N 3.11Å; V58-N62 PolarHBondContact O-ND2 3.36Å; Y59-N62 PolarHBondContact O-N 2.98Å; Y59-N62 VanDerWaalsContact O-N 3.14Å; L60-N62 VanDerWaalsContact C-N 3.34Å; L60-N62 PolarHBondContact O-N 3.2Å; N62-V65 PolarHBondContact O-N 2.94Å; N62-A66 PolarHBondContact O-N 3.38Å; N62-L111 HydrophobicContact CB-CD1 3.73Å; N62-L111 HydrophobicContact CB-CD2 4.12Å; N62-W148 PolarHBondContact OD1-NE1 3.31Å |
| 63 | M | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.4 | -47.2 | 172.7 | -75.8 | -142.2 | 77.6 | 0 | 0 | 111.5 | Y59 L60 K61 V65 A66 D67 L111 M112 I115 D294 Y298 | Y59-M63 PolarHBondContact O-N 2.93Å; L60-M63 PolarHBondContact O-N 3.3Å; K61-M63 VanDerWaalsContact C-N 3.33Å; M63-V65 VanDerWaalsContact C-N 3.26Å; M63-V65 PolarHBondContact O-N 2.96Å; M63-A66 CarbonylContact O-C 3.57Å; M63-A66 WeakPolarHBondContact O-CA 3.2Å; M63-A66 WeakPolarHBondContact O-CB 3.31Å; M63-A66 PolarHBondContact O-N 3.32Å; M63-D67 PolarHBondContact O-N 2.72Å; M63-L111 HydrophobicContact CB-CD1 4.37Å; M63-L111 HydrophobicContact CG-CB 3.67Å; M63-L111 HydrophobicContact CG-CD1 3.64Å; M63-L111 HydrophobicContact CG-CG 4.29Å; M63-L111 HydrophobicContact SD-CB 4.23Å; M63-M112 HydrophobicContact CE-CE 3.78Å; M63-M112 HydrophobicContact CE-CG 4.21Å; M63-M112 HydrophobicContact SD-CG 4.11Å; M63-I115 HydrophobicContact CG-CD1 4.41Å; M63-I115 HydrophobicContact SD-CD1 4.04Å; M63-D294 WeakPolarHBondContact CE-OD2 3.47Å; M63-Y298 HydrophobicContact CB-CE1 4.15Å; M63-Y298 WeakPolarHBondContact CB-OH 3.46Å |
| 64 | V | 96.5 | Very high | 94 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -56.5 | -41.5 | 175.5 | 172.3 | 0 | 0 | 0 | 0 | 111.8 | A43 A44 F47 L60 K61 D67 L68 Y298 | A43-V64 HydrophobicContact CB-CG2 4.04Å; A44-V64 HydrophobicContact CB-CG1 3.72Å; F47-V64 HydrophobicContact CD2-CG2 3.95Å; F47-V64 HydrophobicContact CE2-CG2 4.24Å; L60-V64 WeakPolarHBondContact O-CG2 3.49Å; L60-V64 PolarHBondContact O-N 3.06Å; K61-V64 PolarHBondContact O-N 3.08Å; V64-D67 PolarHBondContact O-N 3.25Å; V64-L68 HydrophobicContact CG1-CD1 4Å; V64-L68 HydrophobicContact CG1-CG 4.43Å; V64-L68 WeakPolarHBondContact O-CB 3.47Å; V64-L68 VanDerWaalsContact O-CG 3.26Å; V64-L68 WeakPolarHBondContact O-CG 3.29Å; V64-L68 PolarHBondContact O-N 3.01Å; V64-Y298 HydrophobicContact CG2-CD2 4.16Å; V64-Y298 HydrophobicContact CG2-CE2 3.47Å; V64-Y298 VanDerWaalsContact CG2-CE2 3.47Å; V64-Y298 PolarHBondContact N-OH 3.14Å |
| 65 | V | 97.1 | Very high | 94.6 | Very high | 50 Ų | 50 | 22.5 Ų | 22.5 | 30% | 0.303 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -64.8 | -43.4 | 176.7 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | F48 K61 N62 M63 L68 L69 W148 | F48-V65 HydrophobicContact CZ-CG2 4Å; K61-V65 WeakPolarHBondContact O-CG2 3.42Å; K61-V65 PolarHBondContact O-N 3.26Å; K61-V65 VanDerWaalsContact O-N 3.15Å; N62-V65 PolarHBondContact O-N 2.94Å; M63-V65 VanDerWaalsContact C-N 3.26Å; M63-V65 PolarHBondContact O-N 2.96Å; V65-L68 PolarHBondContact O-N 2.96Å; V65-L69 HydrophobicContact CG1-CD1 4.38Å; V65-L69 WeakPolarHBondContact O-CG 3.44Å; V65-L69 PolarHBondContact O-N 3.06Å; V65-W148 HydrophobicContact CB-CH2 4.29Å; V65-W148 HydrophobicContact CB-CZ2 3.99Å; V65-W148 HydrophobicContact CG1-CH2 3.67Å; V65-W148 HydrophobicContact CG1-CZ2 3.7Å |
| 66 | A | 97.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.5 | -41.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N62 M63 L69 M70 S104 V107 W148 | N62-A66 PolarHBondContact O-N 3.38Å; M63-A66 CarbonylContact O-C 3.57Å; M63-A66 WeakPolarHBondContact O-CA 3.2Å; M63-A66 WeakPolarHBondContact O-CB 3.31Å; M63-A66 PolarHBondContact O-N 3.32Å; A66-L69 PolarHBondContact O-N 3.18Å; A66-M70 PolarHBondContact O-N 2.85Å; A66-S104 WeakPolarHBondContact O-CB 3.36Å; A66-V107 HydrophobicContact CB-CB 4.3Å; A66-V107 HydrophobicContact CB-CG1 3.8Å; A66-W148 HydrophobicContact CB-CH2 4.33Å |
| 67 | D | 97.3 | Very high | 95.5 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.5 | -43.6 | 177 | -70 | -24.3 | 0 | 0 | 0 | 111.7 | N40 M63 V64 M70 L71 V291 D294 Y298 | N40-D67 PolarHBondContact OD1-OD2 3.41Å; M63-D67 PolarHBondContact O-N 2.72Å; V64-D67 PolarHBondContact O-N 3.25Å; D67-M70 PolarHBondContact O-N 3.1Å; D67-L71 WeakPolarHBondContact O-CB 3.08Å; D67-L71 WeakPolarHBondContact O-CD1 3.34Å; D67-L71 VanDerWaalsContact O-CG 3.26Å; D67-L71 WeakPolarHBondContact O-CG 3.27Å; D67-L71 PolarHBondContact O-N 3.16Å; D67-V291 HydrophobicContact CB-CB 4.43Å; D67-V291 HydrophobicContact CB-CG1 4.28Å; D67-D294 WeakPolarHBondContact OD2-CB 3.12Å; D67-Y298 PolarHBondContact OD2-OH 3.48Å |
| 68 | L | 97.8 | Very high | 95.8 | Very high | 51 Ų | 51 | 28.9 Ų | 28.9 | 27% | 0.267 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -64.1 | -40.1 | 176.6 | -71 | 172.1 | 0 | 0 | 0 | 112 | L37 N40 A44 V64 V65 M70 L71 F72 | L37-L68 HydrophobicContact CD1-CD2 4.22Å; N40-L68 HydrophobicContact CB-CD2 3.82Å; N40-L68 HydrophobicContact CB-CG 4.2Å; A44-L68 HydrophobicContact CB-CD1 4.19Å; V64-L68 HydrophobicContact CG1-CD1 4Å; V64-L68 HydrophobicContact CG1-CG 4.43Å; V64-L68 WeakPolarHBondContact O-CB 3.47Å; V64-L68 VanDerWaalsContact O-CG 3.26Å; V64-L68 WeakPolarHBondContact O-CG 3.29Å; V64-L68 PolarHBondContact O-N 3.01Å; V65-L68 PolarHBondContact O-N 2.96Å; L68-M70 VanDerWaalsContact C-N 3.35Å; L68-L71 HydrophobicContact CD2-CD1 4.45Å; L68-L71 PolarHBondContact O-N 2.88Å; L68-F72 PolarHBondContact O-N 3.15Å |
| 69 | L | 97.2 | Very high | 95.9 | Very high | 56 Ų | 56 | 29.4 Ų | 29.4 | 29% | 0.293 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -64.6 | -39.5 | 173.7 | -71.7 | 177.5 | 0 | 0 | 0 | 111.8 | V65 A66 F72 L100 S104 W148 | V65-L69 HydrophobicContact CG1-CD1 4.38Å; V65-L69 WeakPolarHBondContact O-CG 3.44Å; V65-L69 PolarHBondContact O-N 3.06Å; A66-L69 PolarHBondContact O-N 3.18Å; L69-F72 PolarHBondContact O-N 2.92Å; L69-L100 HydrophobicContact CB-CD1 4.27Å; L69-L100 HydrophobicContact CD1-CD1 4.46Å; L69-S104 WeakPolarHBondContact CB-OG 3.42Å; L69-W148 HydrophobicContact CD1-CH2 3.61Å; L69-W148 HydrophobicContact CD1-CZ3 3.52Å |
| 70 | M | 97.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.4 | -46.6 | 173.9 | -173.7 | -179.5 | -63.8 | 0 | 0 | 111.2 | A66 D67 L68 F72 T73 F74 F101 M105 V291 | A66-M70 PolarHBondContact O-N 2.85Å; D67-M70 PolarHBondContact O-N 3.1Å; L68-M70 VanDerWaalsContact C-N 3.35Å; M70-F72 VanDerWaalsContact C-N 3.27Å; M70-F72 PolarHBondContact O-N 3.36Å; M70-T73 WeakPolarHBondContact O-CB 3.12Å; M70-T73 PolarHBondContact O-N 2.78Å; M70-T73 PolarHBondContact O-OG1 3.08Å; M70-F74 HydrophobicContact CG-CE1 3.84Å; M70-F74 HydrophobicContact CG-CZ 4.37Å; M70-F74 WeakPolarHBondContact O-CD1 3.32Å; M70-F74 HydrophobicContact SD-CE1 4.48Å; M70-F101 HydrophobicContact CG-CD2 3.66Å; M70-F101 HydrophobicContact CG-CE2 3.8Å; M70-F101 HydrophobicContact CG-CG 4.47Å; M70-F101 HydrophobicContact SD-CD2 4.23Å; M70-F101 HydrophobicContact SD-CE2 3.79Å; M70-F101 HydrophobicContact SD-CZ 4.21Å; M70-M105 HydrophobicContact CE-CB 3.53Å; M70-M105 HydrophobicContact CE-CG 4.25Å; M70-M105 VanDerWaalsContact CE-N 3.29Å; M70-V291 HydrophobicContact CB-CG1 4.23Å; M70-V291 HydrophobicContact CG-CG1 4.18Å; M70-V291 HydrophobicContact SD-CG1 3.59Å; M70-V291 VanDerWaalsContact SD-CG1 3.59Å |
| 71 | L | 98.1 | Very high | 95.8 | Very high | 10 Ų | 10 | 31.6 Ų | 31.6 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.1 | -36.2 | 178.6 | -76.4 | 162.4 | 0 | 0 | 0 | 112.4 | G36 N40 D67 L68 T73 F74 P75 V291 | G36-L71 VanDerWaalsContact C-CD1 3.47Å; N40-L71 HydrophobicContact CB-CD1 4.21Å; D67-L71 WeakPolarHBondContact O-CB 3.08Å; D67-L71 WeakPolarHBondContact O-CD1 3.34Å; D67-L71 VanDerWaalsContact O-CG 3.26Å; D67-L71 WeakPolarHBondContact O-CG 3.27Å; D67-L71 PolarHBondContact O-N 3.16Å; L68-L71 HydrophobicContact CD2-CD1 4.45Å; L68-L71 PolarHBondContact O-N 2.88Å; L71-T73 PolarHBondContact O-N 3.42Å; L71-T73 VanDerWaalsContact O-N 3.12Å; L71-F74 HydrophobicContact CD2-CD2 4.06Å; L71-F74 HydrophobicContact CD2-CE2 3.79Å; L71-F74 HydrophobicContact CD2-CZ 4.35Å; L71-F74 PolarHBondContact O-N 3.5Å; L71-F74 VanDerWaalsContact O-N 3.09Å; L71-P75 WeakPolarHBondContact O-CD 3.26Å; L71-V291 HydrophobicContact CD1-CB 4.44Å; L71-V291 HydrophobicContact CD2-CB 4.35Å; L71-V291 HydrophobicContact CD2-CG2 3.76Å; L71-V291 HydrophobicContact CG-CB 4.24Å; L71-V291 HydrophobicContact CG-CG1 4.38Å; L71-V291 HydrophobicContact CG-CG2 4.19Å |
| 72 | F | 97.3 | Very high | 95.6 | Very high | 128 Ų | 128 | 34.6 Ų | 34.6 | 56% | 0.561 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -58.3 | -24.6 | 174.7 | -179.8 | -103.8 | 0 | 0 | 0 | 113 | L68 L69 M70 W76 L100 | L68-F72 PolarHBondContact O-N 3.15Å; L69-F72 PolarHBondContact O-N 2.92Å; M70-F72 VanDerWaalsContact C-N 3.27Å; M70-F72 PolarHBondContact O-N 3.36Å; F72-W76 AromaticContact CE1-NE1 3.87Å; F72-W76 AromaticContact CZ-NE1 3.83Å; F72-W76 VanDerWaalsContact O-CD1 3.24Å; F72-L100 HydrophobicContact CD1-CD2 4.1Å |
| 73 | T | 97 | Very high | 95.2 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -79.7 | -21 | 179.1 | 71.3 | 0 | 0 | 0 | 0 | 113.8 | M70 L71 W76 R77 S97 L100 F101 | M70-T73 WeakPolarHBondContact O-CB 3.12Å; M70-T73 PolarHBondContact O-N 2.78Å; M70-T73 PolarHBondContact O-OG1 3.08Å; L71-T73 PolarHBondContact O-N 3.42Å; L71-T73 VanDerWaalsContact O-N 3.12Å; T73-W76 PolarHBondContact O-N 3.15Å; T73-R77 PolarHBondContact O-N 3.3Å; T73-R77 VanDerWaalsContact O-N 3.13Å; T73-S97 WeakPolarHBondContact CA-OG 3.47Å; T73-S97 WeakPolarHBondContact CB-OG 3.14Å; T73-S97 VanDerWaalsContact CG2-O 3.29Å; T73-S97 WeakPolarHBondContact CG2-O 3.31Å; T73-S97 PolarHBondContact O-OG 2.99Å; T73-S97 VanDerWaalsContact O-OG 3.06Å; T73-L100 HydrophobicContact CG2-CB 3.84Å; T73-L100 HydrophobicContact CG2-CD2 3.86Å; T73-L100 HydrophobicContact CG2-CG 3.87Å; T73-F101 HydrophobicContact CG2-CB 4.14Å |
| 74 | F | 96.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.8 | -45.2 | -171.8 | -69.9 | 11.3 | 0 | 0 | 0 | 113 | Y29 I32 M70 L71 W76 R77 V78 F101 A288 V291 | Y29-F74 HydrophobicContact CD1-CB 4.42Å; Y29-F74 AromaticContact CD1-CD1 3.93Å; Y29-F74 HydrophobicContact CD1-CD1 3.93Å; Y29-F74 AromaticContact CD1-CD2 3.76Å; Y29-F74 HydrophobicContact CD1-CD2 3.76Å; Y29-F74 HydrophobicContact CD1-CE1 4.12Å; Y29-F74 AromaticContact CD1-CE2 3.96Å; Y29-F74 HydrophobicContact CD1-CE2 3.96Å; Y29-F74 AromaticContact CD1-CG 3.77Å; Y29-F74 HydrophobicContact CD1-CG 3.77Å; Y29-F74 HydrophobicContact CD1-CZ 4.15Å; Y29-F74 HydrophobicContact CE1-CD1 4.03Å; Y29-F74 HydrophobicContact CE1-CD2 4.45Å; Y29-F74 AromaticContact CE1-CE1 3.88Å; Y29-F74 HydrophobicContact CE1-CE1 3.88Å; Y29-F74 HydrophobicContact CE1-CE2 4.32Å; Y29-F74 HydrophobicContact CE1-CG 4.33Å; Y29-F74 HydrophobicContact CE1-CZ 4.05Å; I32-F74 HydrophobicContact CD1-CE2 3.61Å; I32-F74 HydrophobicContact CD1-CZ 4.07Å; I32-F74 HydrophobicContact CG1-CD2 4.32Å; I32-F74 HydrophobicContact CG1-CE2 3.77Å; M70-F74 HydrophobicContact CG-CE1 3.84Å; M70-F74 HydrophobicContact CG-CZ 4.37Å; M70-F74 WeakPolarHBondContact O-CD1 3.32Å; M70-F74 HydrophobicContact SD-CE1 4.48Å; L71-F74 HydrophobicContact CD2-CD2 4.06Å; L71-F74 HydrophobicContact CD2-CE2 3.79Å; L71-F74 HydrophobicContact CD2-CZ 4.35Å; L71-F74 PolarHBondContact O-N 3.5Å; L71-F74 VanDerWaalsContact O-N 3.09Å; F74-W76 VanDerWaalsContact C-N 3.29Å; F74-W76 PolarHBondContact O-N 3.1Å; F74-R77 WeakPolarHBondContact O-CB 3.46Å; F74-R77 PolarHBondContact O-N 3.5Å; F74-R77 VanDerWaalsContact O-N 3.13Å; F74-V78 WeakPolarHBondContact O-CG2 3.29Å; F74-V78 PolarHBondContact O-N 2.89Å; F74-F101 HydrophobicContact CE1-CD2 4.01Å; F74-F101 AromaticContact CE1-CE2 3.78Å; F74-F101 HydrophobicContact CE1-CE2 3.78Å; F74-A288 HydrophobicContact CE1-CB 4.3Å; F74-A288 HydrophobicContact CZ-CB 3.86Å; F74-V291 HydrophobicContact CE2-CG2 4.28Å; F74-V291 HydrophobicContact CZ-CG2 4.25Å |
| 75 | P | 96.2 | Very high | 94.3 | Very high | 84 Ų | 84 | 42.2 Ų | 42.2 | 55% | 0.545 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.3 | -40.5 | 178.9 | -25.5 | 35.4 | 0 | 0 | 0 | 112.9 | L71 V78 A79 | L71-P75 WeakPolarHBondContact O-CD 3.26Å; P75-V78 PolarHBondContact O-N 2.9Å; P75-A79 VanDerWaalsContact O-CB 3.29Å; P75-A79 WeakPolarHBondContact O-CB 3.48Å; P75-A79 PolarHBondContact O-N 2.76Å |
| 76 | W | 95.8 | Very high | 94 | Very high | 103 Ų | 103 | 41 Ų | 41 | 39% | 0.39 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 177.5 | -58.3 | 100.8 | 0 | 0 | 0 | 112 | F72 T73 F74 S80 I89 V93 | F72-W76 AromaticContact CE1-NE1 3.87Å; F72-W76 AromaticContact CZ-NE1 3.83Å; F72-W76 VanDerWaalsContact O-CD1 3.24Å; T73-W76 PolarHBondContact O-N 3.15Å; F74-W76 VanDerWaalsContact C-N 3.29Å; F74-W76 PolarHBondContact O-N 3.1Å; W76-S80 WeakPolarHBondContact O-CB 3.4Å; W76-S80 PolarHBondContact O-N 2.88Å; W76-I89 HydrophobicContact CE3-CD1 3.99Å; W76-I89 HydrophobicContact CZ3-CD1 3.85Å; W76-V93 HydrophobicContact CB-CG2 3.95Å; W76-V93 VanDerWaalsContact O-CG2 3.27Å; W76-V93 WeakPolarHBondContact O-CG2 3.3Å |
| 77 | R | 94.4 | Very high | 93.7 | Very high | 31 Ų | 31 | 45.2 Ų | 45.2 | 12% | 0.117 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.8 | -49.6 | 176.3 | 179.8 | 175.5 | 177.2 | 141.1 | 8.5 | 111.2 | Y29 T73 F74 A79 S80 E81 E281 | Y29-R77 VanDerWaalsContact CE2-CZ 3.5Å; Y29-R77 VanDerWaalsContact CE2-NE 3.32Å; Y29-R77 PolarHBondContact OH-NH1 3.2Å; T73-R77 PolarHBondContact O-N 3.3Å; T73-R77 VanDerWaalsContact O-N 3.13Å; F74-R77 WeakPolarHBondContact O-CB 3.46Å; F74-R77 PolarHBondContact O-N 3.5Å; F74-R77 VanDerWaalsContact O-N 3.13Å; R77-A79 PolarHBondContact O-N 3.39Å; R77-S80 WeakPolarHBondContact O-CB 3.47Å; R77-S80 PolarHBondContact O-N 3.46Å; R77-E81 IonicContact CZ-OE1 2.84Å; R77-E81 IonicContact NE-OE1 2.66Å; R77-E81 PolarHBondContact NE-OE1 2.82Å; R77-E81 IonicContact NH2-OE1 3.75Å; R77-E81 PolarHBondContact NH2-OE1 2.93Å; R77-E81 WeakPolarHBondContact O-CG 3.49Å; R77-E81 PolarHBondContact O-N 2.94Å; R77-E281 IonicContact CZ-OE2 3.38Å; R77-E281 IonicContact NH2-OE2 2.98Å; R77-E281 PolarHBondContact NH2-OE2 2.87Å |
| 78 | V | 95.3 | Very high | 93.5 | Very high | 14 Ų | 14 | 50 Ų | 50 | 9% | 0.085 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 177.3 | 168.7 | 0 | 0 | 0 | 0 | 110.7 | P26 V30 F74 P75 S80 E81 L82 | P26-V78 HydrophobicContact CB-CG1 4.19Å; V30-V78 HydrophobicContact CG2-CG1 3.85Å; V30-V78 HydrophobicContact CG2-CG2 3.99Å; F74-V78 WeakPolarHBondContact O-CG2 3.29Å; F74-V78 PolarHBondContact O-N 2.89Å; P75-V78 PolarHBondContact O-N 2.9Å; V78-S80 VanDerWaalsContact C-N 3.31Å; V78-S80 PolarHBondContact O-N 3.44Å; V78-E81 PolarHBondContact O-N 2.89Å; V78-L82 HydrophobicContact CG1-CD1 3.77Å; V78-L82 HydrophobicContact CG1-CG 4.37Å; V78-L82 WeakPolarHBondContact O-CB 3.38Å; V78-L82 WeakPolarHBondContact O-CG 3.34Å; V78-L82 PolarHBondContact O-N 2.87Å |
| 79 | A | 94.4 | Very high | 93.2 | Very high | 19 Ų | 19 | 49.1 Ų | 49.1 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | P75 R77 L82 G83 L84 I89 | P75-A79 VanDerWaalsContact O-CB 3.29Å; P75-A79 WeakPolarHBondContact O-CB 3.48Å; P75-A79 PolarHBondContact O-N 2.76Å; R77-A79 PolarHBondContact O-N 3.39Å; A79-L82 PolarHBondContact O-N 3.42Å; A79-G83 PolarHBondContact O-N 3.39Å; A79-G83 VanDerWaalsContact O-N 3.13Å; A79-L84 HydrophobicContact CB-CB 4.15Å; A79-L84 PolarHBondContact O-N 3.32Å; A79-I89 HydrophobicContact CB-CG2 3.99Å |
| 80 | S | 91.8 | Very high | 93 | Very high | 23 Ų | 23 | 49 Ų | 49 | 16% | 0.161 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.9 | -43 | 176.5 | -176.6 | 0 | 0 | 0 | 0 | 112.9 | W76 R77 V78 G83 | W76-S80 WeakPolarHBondContact O-CB 3.4Å; W76-S80 PolarHBondContact O-N 2.88Å; R77-S80 WeakPolarHBondContact O-CB 3.47Å; R77-S80 PolarHBondContact O-N 3.46Å; V78-S80 VanDerWaalsContact C-N 3.31Å; V78-S80 PolarHBondContact O-N 3.44Å; S80-G83 PolarHBondContact O-N 2.83Å |
| 81 | E | 89.3 | Confident | 92.8 | Very high | 26 Ų | 26 | 49.4 Ų | 49.4 | 12% | 0.121 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.2 | -35.2 | -179.8 | -72.2 | 174.5 | 179.5 | 0 | 0 | 111.5 | H22 P26 R77 V78 G83 | H22-E81 PolarHBondContact ND1-O 3.41Å; P26-E81 HydrophobicContact CG-CB 3.71Å; P26-E81 WeakPolarHBondContact CG-OE2 3.48Å; R77-E81 IonicContact CZ-OE1 2.84Å; R77-E81 IonicContact NE-OE1 2.66Å; R77-E81 PolarHBondContact NE-OE1 2.82Å; R77-E81 IonicContact NH2-OE1 3.75Å; R77-E81 PolarHBondContact NH2-OE1 2.93Å; R77-E81 WeakPolarHBondContact O-CG 3.49Å; R77-E81 PolarHBondContact O-N 2.94Å; V78-E81 PolarHBondContact O-N 2.89Å; E81-G83 VanDerWaalsContact C-N 3.26Å; E81-G83 PolarHBondContact O-N 3.42Å |
| 82 | L | 90.3 | Very high | 92.6 | Very high | 90 Ų | 90 | 50.2 Ų | 50.2 | 47% | 0.471 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -3.4 | 174.7 | -65.4 | 177.5 | 0 | 0 | 0 | 113.8 | P26 V78 A79 L84 | P26-L82 HydrophobicContact CB-CD1 4.44Å; P26-L82 HydrophobicContact CB-CD2 3.89Å; P26-L82 HydrophobicContact CB-CG 3.98Å; P26-L82 HydrophobicContact CG-CD2 3.99Å; P26-L82 HydrophobicContact CG-CG 4.28Å; V78-L82 HydrophobicContact CG1-CD1 3.77Å; V78-L82 HydrophobicContact CG1-CG 4.37Å; V78-L82 WeakPolarHBondContact O-CB 3.38Å; V78-L82 WeakPolarHBondContact O-CG 3.34Å; V78-L82 PolarHBondContact O-N 2.87Å; A79-L82 PolarHBondContact O-N 3.42Å; L82-L84 HydrophobicContact CB-CD1 4.29Å; L82-L84 HydrophobicContact CB-CG 3.97Å; L82-L84 HydrophobicContact CD1-CD1 4.28Å; L82-L84 PolarHBondContact O-N 3.27Å |
| 83 | G | 87.2 | Confident | 92.4 | Very high | 36 Ų | 36 | 45.1 Ų | 45.1 | 37% | 0.371 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 15.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A79 S80 E81 G85 | A79-G83 PolarHBondContact O-N 3.39Å; A79-G83 VanDerWaalsContact O-N 3.13Å; S80-G83 PolarHBondContact O-N 2.83Å; E81-G83 VanDerWaalsContact C-N 3.26Å; E81-G83 PolarHBondContact O-N 3.42Å; G83-G85 PolarHBondContact O-N 3Å |
| 84 | L | 88.4 | Confident | 92.2 | Very high | 102 Ų | 102 | 45.4 Ų | 45.4 | 53% | 0.534 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 129.5 | 176.2 | -59.4 | 177.5 | 0 | 0 | 0 | 109.7 | A79 L82 G86 I89 | A79-L84 HydrophobicContact CB-CB 4.15Å; A79-L84 PolarHBondContact O-N 3.32Å; L82-L84 HydrophobicContact CB-CD1 4.29Å; L82-L84 HydrophobicContact CB-CG 3.97Å; L82-L84 HydrophobicContact CD1-CD1 4.28Å; L82-L84 PolarHBondContact O-N 3.27Å; L84-G86 VanDerWaalsContact C-N 3.29Å; L84-G86 PolarHBondContact O-N 3.49Å; L84-I89 WeakPolarHBondContact O-CB 3.5Å; L84-I89 WeakPolarHBondContact O-CG1 3.49Å |
| 85 | G | 85.3 | Confident | 92 | Very high | 51 Ų | 51 | 48.1 Ų | 48.1 | 53% | 0.526 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 16.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | G83 Q88 | G83-G85 PolarHBondContact O-N 3Å; G85-Q88 PolarHBondContact O-OE1 3.25Å |
| 86 | G | 90.3 | Very high | 91.8 | Very high | 24 Ų | 24 | 50.4 Ų | 50.4 | 25% | 0.247 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | 61 | -150.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L84 Q88 | L84-G86 VanDerWaalsContact C-N 3.29Å; L84-G86 PolarHBondContact O-N 3.49Å; G86-Q88 VanDerWaalsContact C-N 3.25Å; G86-Q88 PolarHBondContact O-N 3.41Å |
| 87 | W | 90.4 | Very high | 91.8 | Very high | 91 Ų | 91 | 45.9 Ų | 45.9 | 35% | 0.345 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.6 | -27.9 | 179.5 | 65.9 | -91.6 | 0 | 0 | 0 | 113.4 | I89 R90 V91 A166 E168 S171 | W87-I89 PolarHBondContact O-N 3.2Å; W87-R90 WeakPolarHBondContact O-CB 3.31Å; W87-R90 PolarHBondContact O-N 3.01Å; W87-V91 HydrophobicContact CE3-CG2 3.83Å; W87-V91 HydrophobicContact CZ3-CG2 4.2Å; W87-V91 VanDerWaalsContact O-CG2 3.29Å; W87-V91 WeakPolarHBondContact O-CG2 3.39Å; W87-V91 PolarHBondContact O-N 3.4Å; W87-A166 HydrophobicContact CE3-CB 4.19Å; W87-A166 HydrophobicContact CZ3-CB 4.13Å; W87-E168 HydrophobicContact CB-CG 4.39Å; W87-E168 VanDerWaalsContact CD1-OE1 3.28Å; W87-E168 HydrophobicContact CG-CG 4.49Å; W87-S171 WeakPolarHBondContact CB-OG 3.46Å |
| 88 | Q | 92.1 | Very high | 91.7 | Very high | 103 Ų | 103 | 45.8 Ų | 45.8 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | -178.1 | -60.9 | 89.6 | -24.9 | 0 | 0 | 112 | G85 G86 V91 A92 | G85-Q88 PolarHBondContact O-OE1 3.25Å; G86-Q88 VanDerWaalsContact C-N 3.25Å; G86-Q88 PolarHBondContact O-N 3.41Å; Q88-V91 WeakPolarHBondContact O-CB 3.21Å; Q88-V91 PolarHBondContact O-N 2.98Å; Q88-A92 PolarHBondContact O-N 2.82Å |
| 89 | I | 93.4 | Very high | 91.6 | Very high | 32 Ų | 32 | 45.8 Ų | 45.8 | 16% | 0.164 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.1 | -39.6 | 176.2 | -69.9 | -65.1 | 0 | 0 | 0 | 110.9 | W76 A79 L84 W87 V91 A92 V93 | W76-I89 HydrophobicContact CE3-CD1 3.99Å; W76-I89 HydrophobicContact CZ3-CD1 3.85Å; A79-I89 HydrophobicContact CB-CG2 3.99Å; L84-I89 WeakPolarHBondContact O-CB 3.5Å; L84-I89 WeakPolarHBondContact O-CG1 3.49Å; W87-I89 PolarHBondContact O-N 3.2Å; I89-V91 VanDerWaalsContact C-N 3.3Å; I89-V91 PolarHBondContact O-N 2.71Å; I89-A92 PolarHBondContact O-N 3.36Å; I89-A92 VanDerWaalsContact O-N 3.17Å; I89-V93 HydrophobicContact CG2-CG2 4.48Å; I89-V93 WeakPolarHBondContact O-CG2 3.42Å; I89-V93 PolarHBondContact O-N 3.31Å |
| 90 | R | 92.3 | Very high | 91.7 | Very high | 54 Ų | 54 | 46.6 Ų | 46.6 | 20% | 0.204 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 174.6 | -61.5 | 179.4 | -173.7 | -145 | -0.5 | 111.3 | W87 V93 C94 | W87-R90 WeakPolarHBondContact O-CB 3.31Å; W87-R90 PolarHBondContact O-N 3.01Å; R90-V93 PolarHBondContact O-N 3.25Å; R90-C94 WeakPolarHBondContact O-CB 3.38Å; R90-C94 PolarHBondContact O-N 3.33Å; R90-C94 PolarHBondContact O-SG 3.43Å |
| 91 | V | 92.6 | Very high | 91.9 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 7% | 0.067 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 174.3 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | W87 Q88 I89 V93 C94 R95 A166 L177 | W87-V91 HydrophobicContact CE3-CG2 3.83Å; W87-V91 HydrophobicContact CZ3-CG2 4.2Å; W87-V91 VanDerWaalsContact O-CG2 3.29Å; W87-V91 WeakPolarHBondContact O-CG2 3.39Å; W87-V91 PolarHBondContact O-N 3.4Å; Q88-V91 WeakPolarHBondContact O-CB 3.21Å; Q88-V91 PolarHBondContact O-N 2.98Å; I89-V91 VanDerWaalsContact C-N 3.3Å; I89-V91 PolarHBondContact O-N 2.71Å; V91-V93 VanDerWaalsContact C-N 3.29Å; V91-V93 PolarHBondContact O-N 3.33Å; V91-C94 PolarHBondContact O-N 2.83Å; V91-R95 HydrophobicContact CG1-CG 4.25Å; V91-R95 WeakPolarHBondContact O-CB 3.39Å; V91-R95 WeakPolarHBondContact O-CG 3.29Å; V91-R95 PolarHBondContact O-N 3.03Å; V91-A166 HydrophobicContact CG2-CB 3.41Å; V91-A166 VanDerWaalsContact CG2-CB 3.41Å; V91-L177 HydrophobicContact CB-CD2 4.44Å; V91-L177 HydrophobicContact CG1-CD2 4.18Å; V91-L177 HydrophobicContact CG2-CD2 3.81Å |
| 92 | A | 93.4 | Very high | 92.1 | Very high | 27 Ų | 27 | 47.3 Ų | 47.3 | 22% | 0.223 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q88 I89 Y96 S97 | Q88-A92 PolarHBondContact O-N 2.82Å; I89-A92 PolarHBondContact O-N 3.36Å; I89-A92 VanDerWaalsContact O-N 3.17Å; A92-Y96 PolarHBondContact O-N 2.97Å; A92-S97 PolarHBondContact O-N 2.93Å |
| 93 | V | 94 | Very high | 92.3 | Very high | 20 Ų | 20 | 43.5 Ų | 43.5 | 12% | 0.121 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -63.9 | -49 | 174.5 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | W76 I89 R90 V91 R95 S97 A98 | W76-V93 HydrophobicContact CB-CG2 3.95Å; W76-V93 VanDerWaalsContact O-CG2 3.27Å; W76-V93 WeakPolarHBondContact O-CG2 3.3Å; I89-V93 HydrophobicContact CG2-CG2 4.48Å; I89-V93 WeakPolarHBondContact O-CG2 3.42Å; I89-V93 PolarHBondContact O-N 3.31Å; R90-V93 PolarHBondContact O-N 3.25Å; V91-V93 VanDerWaalsContact C-N 3.29Å; V91-V93 PolarHBondContact O-N 3.33Å; V93-R95 VanDerWaalsContact C-N 3.34Å; V93-R95 PolarHBondContact O-N 2.89Å; V93-S97 PolarHBondContact O-N 3.45Å; V93-A98 HydrophobicContact CG1-CB 4.41Å; V93-A98 VanDerWaalsContact O-CB 3.3Å; V93-A98 WeakPolarHBondContact O-CB 3.38Å; V93-A98 PolarHBondContact O-N 3.46Å |
| 94 | C | 92.3 | Very high | 92.7 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 5% | 0.054 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -62.6 | -38.7 | 179.5 | -70 | 0 | 0 | 0 | 0 | 113.3 | R90 V91 C174 L177 | R90-C94 WeakPolarHBondContact O-CB 3.38Å; R90-C94 PolarHBondContact O-N 3.33Å; R90-C94 PolarHBondContact O-SG 3.43Å; V91-C94 PolarHBondContact O-N 2.83Å; C94-C174 WeakPolarHBondContact CA-SG 3.35Å; C94-C174 HydrophobicContact CB-CB 3.59Å; C94-C174 WeakPolarHBondContact CB-SG 3.42Å; C94-C174 WeakPolarHBondContact SG-CA 3.41Å; C94-C174 WeakPolarHBondContact SG-CB 3.44Å; C94-C174 CovalentContact SG-SG 2.03Å; C94-C174 PolarHBondContact SG-SG 3.38Å; C94-L177 HydrophobicContact CB-CD1 4.36Å |
| 95 | R | 92.1 | Very high | 93.1 | Very high | 61 Ų | 61 | 37 Ų | 37 | 23% | 0.23 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -79.4 | -42.5 | -176.8 | -73.8 | -177 | 174.8 | 171.5 | 2.1 | 112.6 | V91 V93 V99 V159 T162 K164 | V91-R95 HydrophobicContact CG1-CG 4.25Å; V91-R95 WeakPolarHBondContact O-CB 3.39Å; V91-R95 WeakPolarHBondContact O-CG 3.29Å; V91-R95 PolarHBondContact O-N 3.03Å; V93-R95 VanDerWaalsContact C-N 3.34Å; V93-R95 PolarHBondContact O-N 2.89Å; R95-V99 WeakPolarHBondContact O-CG2 3.27Å; R95-V159 VanDerWaalsContact O-CG2 3.31Å; R95-V159 WeakPolarHBondContact O-CG2 3.47Å; R95-T162 HydrophobicContact CG-CG2 3.67Å; R95-T162 PolarHBondContact NE-O 2.98Å; R95-T162 PolarHBondContact NH2-O 3.5Å; R95-K164 PolarHBondContact NH2-O 3.24Å; R95-K164 VanDerWaalsContact NH2-O 3.12Å |
| 96 | Y | 93.1 | Very high | 93.6 | Very high | 132 Ų | 132 | 35.9 Ų | 35.9 | 52% | 0.518 | 18% | 0.175 | S | C | . | . | I | π-helix | trans | -122.5 | -59.3 | -167.5 | -50.4 | -73.1 | 0 | 0 | 0 | 112.5 | A92 A98 V99 L100 V159 | A92-Y96 PolarHBondContact O-N 2.97Å; Y96-A98 PolarHBondContact O-N 3.4Å; Y96-V99 PolarHBondContact O-N 3.29Å; Y96-L100 PolarHBondContact O-N 3.47Å; Y96-V159 HydrophobicContact CD1-CG1 3.83Å; Y96-V159 HydrophobicContact CD1-CG2 4.14Å; Y96-V159 HydrophobicContact CE1-CG1 3.4Å |
| 97 | S | 95.2 | Very high | 93.8 | Very high | 9 Ų | 9 | 34.9 Ų | 34.9 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -61.4 | -49.8 | -168.3 | -166.5 | 0 | 0 | 0 | 0 | 112.6 | T73 A92 V93 V99 L100 F101 | T73-S97 WeakPolarHBondContact CA-OG 3.47Å; T73-S97 WeakPolarHBondContact CB-OG 3.14Å; T73-S97 VanDerWaalsContact CG2-O 3.29Å; T73-S97 WeakPolarHBondContact CG2-O 3.31Å; T73-S97 PolarHBondContact O-OG 2.99Å; T73-S97 VanDerWaalsContact O-OG 3.06Å; A92-S97 PolarHBondContact O-N 2.93Å; V93-S97 PolarHBondContact O-N 3.45Å; S97-V99 VanDerWaalsContact C-N 3.31Å; S97-V99 PolarHBondContact O-N 2.76Å; S97-L100 PolarHBondContact O-N 2.9Å; S97-F101 WeakPolarHBondContact O-CB 3.33Å; S97-F101 PolarHBondContact O-N 2.85Å |
| 98 | A | 93.4 | Very high | 94.1 | Very high | 29 Ų | 29 | 30.6 Ų | 30.6 | 24% | 0.24 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.5 | -38.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V93 Y96 F101 Y102 | V93-A98 HydrophobicContact CG1-CB 4.41Å; V93-A98 VanDerWaalsContact O-CB 3.3Å; V93-A98 WeakPolarHBondContact O-CB 3.38Å; V93-A98 PolarHBondContact O-N 3.46Å; Y96-A98 PolarHBondContact O-N 3.4Å; A98-F101 PolarHBondContact O-N 3.24Å; A98-Y102 WeakPolarHBondContact O-CD2 3.49Å; A98-Y102 PolarHBondContact O-N 2.86Å |
| 99 | V | 92.8 | Very high | 94.3 | Very high | 14 Ų | 14 | 25.7 Ų | 25.7 | 9% | 0.085 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.2 | -48.4 | 178.7 | -173.6 | 0 | 0 | 0 | 0 | 110 | R95 Y96 S97 F101 Y102 S103 V155 N158 | R95-V99 WeakPolarHBondContact O-CG2 3.27Å; Y96-V99 PolarHBondContact O-N 3.29Å; S97-V99 VanDerWaalsContact C-N 3.31Å; S97-V99 PolarHBondContact O-N 2.76Å; V99-F101 VanDerWaalsContact C-N 3.34Å; V99-F101 PolarHBondContact O-N 3.08Å; V99-Y102 PolarHBondContact O-N 3.42Å; V99-S103 WeakPolarHBondContact O-CB 3.23Å; V99-S103 PolarHBondContact O-N 2.94Å; V99-S103 PolarHBondContact O-OG 3.41Å; V99-S103 VanDerWaalsContact O-OG 3.08Å; V99-V155 HydrophobicContact CG1-CB 4.1Å; V99-V155 HydrophobicContact CG1-CG1 4.09Å; V99-V155 HydrophobicContact CG1-CG2 4.01Å; V99-N158 HydrophobicContact CG1-CB 3.82Å; V99-N158 HydrophobicContact CG2-CB 4.07Å |
| 100 | L | 95.4 | Very high | 94.4 | Very high | 36 Ų | 36 | 25.6 Ų | 25.6 | 19% | 0.188 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.3 | -40.1 | 177.1 | -176.4 | 61.7 | 0 | 0 | 0 | 112.1 | L69 F72 T73 Y96 S97 S104 | L69-L100 HydrophobicContact CB-CD1 4.27Å; L69-L100 HydrophobicContact CD1-CD1 4.46Å; F72-L100 HydrophobicContact CD1-CD2 4.1Å; T73-L100 HydrophobicContact CG2-CB 3.84Å; T73-L100 HydrophobicContact CG2-CD2 3.86Å; T73-L100 HydrophobicContact CG2-CG 3.87Å; Y96-L100 PolarHBondContact O-N 3.47Å; S97-L100 PolarHBondContact O-N 2.9Å; L100-S104 VanDerWaalsContact O-CB 3.28Å; L100-S104 WeakPolarHBondContact O-CB 3.39Å; L100-S104 PolarHBondContact O-N 3.1Å; L100-S104 PolarHBondContact O-OG 3.44Å |
| 101 | F | 96.1 | Very high | 94.6 | Very high | 6 Ų | 6 | 23 Ų | 23 | 3% | 0.026 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.5 | -54.5 | 176.7 | 175.7 | -81.8 | 0 | 0 | 0 | 110.6 | M70 T73 F74 S97 A98 V99 S103 S104 M105 L284 A288 | M70-F101 HydrophobicContact CG-CD2 3.66Å; M70-F101 HydrophobicContact CG-CE2 3.8Å; M70-F101 HydrophobicContact CG-CG 4.47Å; M70-F101 HydrophobicContact SD-CD2 4.23Å; M70-F101 HydrophobicContact SD-CE2 3.79Å; M70-F101 HydrophobicContact SD-CZ 4.21Å; T73-F101 HydrophobicContact CG2-CB 4.14Å; F74-F101 HydrophobicContact CE1-CD2 4.01Å; F74-F101 AromaticContact CE1-CE2 3.78Å; F74-F101 HydrophobicContact CE1-CE2 3.78Å; S97-F101 WeakPolarHBondContact O-CB 3.33Å; S97-F101 PolarHBondContact O-N 2.85Å; A98-F101 PolarHBondContact O-N 3.24Å; V99-F101 VanDerWaalsContact C-N 3.34Å; V99-F101 PolarHBondContact O-N 3.08Å; F101-S103 PolarHBondContact O-N 3.4Å; F101-S104 PolarHBondContact O-N 3.16Å; F101-M105 HydrophobicContact CE1-SD 4.45Å; F101-M105 WeakPolarHBondContact O-CB 3.33Å; F101-M105 PolarHBondContact O-N 3.45Å; F101-L284 HydrophobicContact CD1-CD1 4.35Å; F101-L284 HydrophobicContact CE1-CD1 3.38Å; F101-L284 HydrophobicContact CE1-CG 4.32Å; F101-L284 HydrophobicContact CZ-CD1 3.81Å; F101-L284 HydrophobicContact CZ-CG 4.44Å; F101-A288 HydrophobicContact CE2-CB 3.94Å; F101-A288 HydrophobicContact CZ-CB 4.02Å |
| 102 | Y | 94.3 | Very high | 94.6 | Very high | 57 Ų | 57 | 22.5 Ų | 22.5 | 22% | 0.224 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.2 | -41.1 | -177.5 | -75.9 | -59.6 | 0 | 0 | 0 | 112.1 | A98 V99 M105 Y106 Y251 L284 | A98-Y102 WeakPolarHBondContact O-CD2 3.49Å; A98-Y102 PolarHBondContact O-N 2.86Å; V99-Y102 PolarHBondContact O-N 3.42Å; Y102-M105 HydrophobicContact CD1-CE 4.09Å; Y102-M105 WeakPolarHBondContact O-CB 3.35Å; Y102-M105 PolarHBondContact O-N 2.87Å; Y102-Y106 WeakPolarHBondContact O-CD2 3.37Å; Y102-Y106 PolarHBondContact O-N 2.88Å; Y102-Y251 HydrophobicContact CE1-CE1 4.21Å; Y102-Y251 AromaticContact CE1-CZ 3.71Å; Y102-Y251 WeakPolarHBondContact CE1-OH 3.48Å; Y102-Y251 PolarHBondContact OH-OH 3.23Å; Y102-L284 HydrophobicContact CE1-CD1 3.84Å; Y102-L284 WeakPolarHBondContact OH-CD2 3.35Å |
| 103 | S | 94.1 | Very high | 94.7 | Very high | 10 Ų | 10 | 21.5 Ų | 21.5 | 7% | 0.07 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.7 | -40.2 | 178.6 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | V99 F101 M105 Y106 V107 V155 | V99-S103 WeakPolarHBondContact O-CB 3.23Å; V99-S103 PolarHBondContact O-N 2.94Å; V99-S103 PolarHBondContact O-OG 3.41Å; V99-S103 VanDerWaalsContact O-OG 3.08Å; F101-S103 PolarHBondContact O-N 3.4Å; S103-M105 VanDerWaalsContact C-N 3.33Å; S103-M105 PolarHBondContact O-N 2.95Å; S103-Y106 PolarHBondContact O-N 2.98Å; S103-V107 WeakPolarHBondContact O-CG2 3.43Å; S103-V107 PolarHBondContact O-N 3.16Å; S103-V155 VanDerWaalsContact OG-CG2 3.31Å; S103-V155 WeakPolarHBondContact OG-CG2 3.5Å |
| 104 | S | 96 | Very high | 94.7 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.007 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 175.6 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | A66 L69 L100 F101 Y106 V107 G108 | A66-S104 WeakPolarHBondContact O-CB 3.36Å; L69-S104 WeakPolarHBondContact CB-OG 3.42Å; L100-S104 VanDerWaalsContact O-CB 3.28Å; L100-S104 WeakPolarHBondContact O-CB 3.39Å; L100-S104 PolarHBondContact O-N 3.1Å; L100-S104 PolarHBondContact O-OG 3.44Å; F101-S104 PolarHBondContact O-N 3.16Å; S104-Y106 PolarHBondContact O-N 2.99Å; S104-V107 PolarHBondContact O-N 3.33Å; S104-G108 PolarHBondContact O-N 3.23Å |
| 105 | M | 95.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.9 | -47 | 172.9 | -173.7 | -168.2 | 72.4 | 0 | 0 | 111.6 | M70 F101 Y102 S103 G108 I109 F248 Y251 S287 | M70-M105 HydrophobicContact CE-CB 3.53Å; M70-M105 HydrophobicContact CE-CG 4.25Å; M70-M105 VanDerWaalsContact CE-N 3.29Å; F101-M105 HydrophobicContact CE1-SD 4.45Å; F101-M105 WeakPolarHBondContact O-CB 3.33Å; F101-M105 PolarHBondContact O-N 3.45Å; Y102-M105 HydrophobicContact CD1-CE 4.09Å; Y102-M105 WeakPolarHBondContact O-CB 3.35Å; Y102-M105 PolarHBondContact O-N 2.87Å; S103-M105 VanDerWaalsContact C-N 3.33Å; S103-M105 PolarHBondContact O-N 2.95Å; M105-G108 PolarHBondContact O-N 3.34Å; M105-I109 HydrophobicContact CE-CD1 4.35Å; M105-I109 HydrophobicContact CG-CD1 4.17Å; M105-I109 WeakPolarHBondContact O-CG1 3.45Å; M105-I109 PolarHBondContact O-N 3.44Å; M105-F248 HydrophobicContact CG-CD1 4.13Å; M105-F248 HydrophobicContact CG-CE1 3.82Å; M105-Y251 HydrophobicContact CE-CD1 4.26Å; M105-Y251 HydrophobicContact CE-CE1 3.9Å; M105-Y251 HydrophobicContact SD-CD1 4.11Å; M105-Y251 HydrophobicContact SD-CE1 4.12Å; M105-S287 PolarHBondContact SD-OG 3.46Å |
| 106 | Y | 95.9 | Very high | 94.6 | Very high | 26 Ų | 26 | 18.5 Ų | 18.5 | 10% | 0.102 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -69.6 | -36 | 179.3 | -75.7 | -59.4 | 0 | 0 | 0 | 113.4 | Y102 S103 S104 G108 I109 I110 G193 H252 | Y102-Y106 WeakPolarHBondContact O-CD2 3.37Å; Y102-Y106 PolarHBondContact O-N 2.88Å; S103-Y106 PolarHBondContact O-N 2.98Å; S104-Y106 PolarHBondContact O-N 2.99Å; Y106-G108 VanDerWaalsContact C-N 3.29Å; Y106-G108 PolarHBondContact O-N 3.44Å; Y106-I109 HydrophobicContact CD1-CD1 3.93Å; Y106-I109 HydrophobicContact CE1-CD1 4.19Å; Y106-I109 PolarHBondContact O-N 3.36Å; Y106-I110 WeakPolarHBondContact O-CG1 3.47Å; Y106-I110 PolarHBondContact O-N 3.46Å; Y106-G193 VanDerWaalsContact CE1-C 3.42Å; Y106-G193 WeakPolarHBondContact CE1-O 3.14Å; Y106-G193 VanDerWaalsContact CZ-CA 3.47Å; Y106-H252 AromaticContact CE1-NE2 3.39Å; Y106-H252 WeakPolarHBondContact CE1-NE2 3.34Å; Y106-H252 AromaticContact CZ-NE2 3.73Å; Y106-H252 PolarHBondContact OH-NE2 3.35Å |
| 107 | V | 96.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 14.5 Ų | 14.5 | 2% | 0.018 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -57.6 | -46.3 | 169.8 | 168.6 | 0 | 0 | 0 | 0 | 109.9 | A66 S103 S104 I109 I110 L111 T147 W148 L151 | A66-V107 HydrophobicContact CB-CB 4.3Å; A66-V107 HydrophobicContact CB-CG1 3.8Å; S103-V107 WeakPolarHBondContact O-CG2 3.43Å; S103-V107 PolarHBondContact O-N 3.16Å; S104-V107 PolarHBondContact O-N 3.33Å; V107-I109 PolarHBondContact O-N 2.94Å; V107-I110 PolarHBondContact O-N 3.16Å; V107-L111 HydrophobicContact CG1-CD1 3.69Å; V107-L111 HydrophobicContact CG1-CG 4.28Å; V107-L111 WeakPolarHBondContact O-CB 3.39Å; V107-L111 VanDerWaalsContact O-CG 3.24Å; V107-L111 WeakPolarHBondContact O-CG 3.27Å; V107-L111 PolarHBondContact O-N 2.88Å; V107-T147 HydrophobicContact CB-CG2 4.21Å; V107-T147 HydrophobicContact CG1-CG2 3.93Å; V107-T147 HydrophobicContact CG2-CG2 4.08Å; V107-W148 HydrophobicContact CG1-CH2 4.43Å; V107-W148 HydrophobicContact CG1-CZ2 4.32Å; V107-L151 HydrophobicContact CG2-CB 3.74Å; V107-L151 HydrophobicContact CG2-CD1 3.59Å; V107-L151 HydrophobicContact CG2-CG 4.31Å |
| 108 | G | 96 | Very high | 94.2 | Very high | 2 Ų | 2 | 14.8 Ų | 14.8 | 2% | 0.021 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.7 | -46.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S104 M105 Y106 I110 L111 M112 | S104-G108 PolarHBondContact O-N 3.23Å; M105-G108 PolarHBondContact O-N 3.34Å; Y106-G108 VanDerWaalsContact C-N 3.29Å; Y106-G108 PolarHBondContact O-N 3.44Å; G108-I110 PolarHBondContact O-N 2.93Å; G108-L111 PolarHBondContact O-N 2.83Å; G108-M112 WeakPolarHBondContact O-CE 3.24Å; G108-M112 PolarHBondContact O-N 3.44Å |
| 109 | I | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -56.4 | -49.6 | 175.6 | -72.7 | 164.7 | 0 | 0 | 0 | 111.1 | M105 Y106 V107 L111 M112 G113 F197 T200 F244 F248 | M105-I109 HydrophobicContact CE-CD1 4.35Å; M105-I109 HydrophobicContact CG-CD1 4.17Å; M105-I109 WeakPolarHBondContact O-CG1 3.45Å; M105-I109 PolarHBondContact O-N 3.44Å; Y106-I109 HydrophobicContact CD1-CD1 3.93Å; Y106-I109 HydrophobicContact CE1-CD1 4.19Å; Y106-I109 PolarHBondContact O-N 3.36Å; V107-I109 PolarHBondContact O-N 2.94Å; I109-L111 PolarHBondContact O-N 2.75Å; I109-M112 PolarHBondContact O-N 3.13Å; I109-G113 PolarHBondContact O-N 3.29Å; I109-G113 VanDerWaalsContact O-N 3.08Å; I109-F197 HydrophobicContact CD1-CD2 4.28Å; I109-T200 HydrophobicContact CG2-CG2 3.86Å; I109-T200 WeakPolarHBondContact CG2-OG1 3.33Å; I109-T200 WeakPolarHBondContact O-CG2 3.29Å; I109-F244 HydrophobicContact CG1-CE2 4.42Å; I109-F244 HydrophobicContact CG2-CE2 4.12Å; I109-F248 HydrophobicContact CD1-CD1 3.77Å; I109-F248 HydrophobicContact CD1-CE1 4.22Å; I109-F248 HydrophobicContact CD1-CG 4.13Å; I109-F248 HydrophobicContact CG1-CD1 3.81Å; I109-F248 HydrophobicContact CG1-CD2 4.23Å; I109-F248 HydrophobicContact CG1-CE1 3.94Å; I109-F248 HydrophobicContact CG1-CE2 4.4Å; I109-F248 HydrophobicContact CG1-CG 3.94Å; I109-F248 HydrophobicContact CG1-CZ 4.23Å |
| 110 | I | 96.3 | Very high | 93.6 | Very high | 29 Ų | 29 | 15 Ų | 15 | 15% | 0.149 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62 | -45.3 | 179.5 | -67.7 | 165.6 | 0 | 0 | 0 | 110.5 | Y106 V107 G108 M112 G113 L114 T147 L150 L196 | Y106-I110 WeakPolarHBondContact O-CG1 3.47Å; Y106-I110 PolarHBondContact O-N 3.46Å; V107-I110 PolarHBondContact O-N 3.16Å; G108-I110 PolarHBondContact O-N 2.93Å; I110-M112 VanDerWaalsContact C-N 3.33Å; I110-M112 PolarHBondContact O-N 3.3Å; I110-G113 PolarHBondContact O-N 2.9Å; I110-G113 VanDerWaalsContact O-N 3.12Å; I110-L114 HydrophobicContact CG2-CD1 4.15Å; I110-L114 HydrophobicContact CG2-CG 4.36Å; I110-L114 WeakPolarHBondContact O-CG 3.3Å; I110-L114 PolarHBondContact O-N 3.19Å; I110-T147 HydrophobicContact CB-CG2 3.99Å; I110-T147 HydrophobicContact CD1-CG2 4.14Å; I110-T147 HydrophobicContact CG2-CG2 3.82Å; I110-L150 HydrophobicContact CD1-CD2 3.83Å; I110-L196 HydrophobicContact CD1-CD1 4.22Å |
| 111 | L | 95.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61.7 | -39.8 | 178.9 | -70.5 | 171.8 | 0 | 0 | 0 | 111.9 | Y59 N62 M63 V107 G108 I109 G113 L114 I115 | Y59-L111 HydrophobicContact CD1-CD2 3.81Å; N62-L111 HydrophobicContact CB-CD1 3.73Å; N62-L111 HydrophobicContact CB-CD2 4.12Å; M63-L111 HydrophobicContact CB-CD1 4.37Å; M63-L111 HydrophobicContact CG-CB 3.67Å; M63-L111 HydrophobicContact CG-CD1 3.64Å; M63-L111 HydrophobicContact CG-CG 4.29Å; M63-L111 HydrophobicContact SD-CB 4.23Å; V107-L111 HydrophobicContact CG1-CD1 3.69Å; V107-L111 HydrophobicContact CG1-CG 4.28Å; V107-L111 WeakPolarHBondContact O-CB 3.39Å; V107-L111 VanDerWaalsContact O-CG 3.24Å; V107-L111 WeakPolarHBondContact O-CG 3.27Å; V107-L111 PolarHBondContact O-N 2.88Å; G108-L111 PolarHBondContact O-N 2.83Å; I109-L111 PolarHBondContact O-N 2.75Å; L111-G113 PolarHBondContact O-N 3.08Å; L111-L114 PolarHBondContact O-N 2.88Å; L111-I115 WeakPolarHBondContact O-CB 3.41Å; L111-I115 WeakPolarHBondContact O-CG1 3.36Å; L111-I115 PolarHBondContact O-N 3.37Å |
| 112 | M | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.5 | -44.5 | 172 | -84.7 | 179.5 | -97 | 0 | 0 | 112.1 | M63 G108 I109 I110 L114 I115 S116 L240 F244 F248 | M63-M112 HydrophobicContact CE-CE 3.78Å; M63-M112 HydrophobicContact CE-CG 4.21Å; M63-M112 HydrophobicContact SD-CG 4.11Å; G108-M112 WeakPolarHBondContact O-CE 3.24Å; G108-M112 PolarHBondContact O-N 3.44Å; I109-M112 PolarHBondContact O-N 3.13Å; I110-M112 VanDerWaalsContact C-N 3.33Å; I110-M112 PolarHBondContact O-N 3.3Å; M112-L114 PolarHBondContact O-N 3.07Å; M112-I115 PolarHBondContact O-N 2.93Å; M112-S116 PolarHBondContact O-N 2.94Å; M112-S116 PolarHBondContact O-OG 3.16Å; M112-S116 VanDerWaalsContact O-OG 3.1Å; M112-L240 HydrophobicContact CB-CD2 4.5Å; M112-F244 HydrophobicContact CB-CD2 4.44Å; M112-F244 HydrophobicContact SD-CB 4.39Å; M112-F244 HydrophobicContact SD-CD2 3.96Å; M112-F248 HydrophobicContact CE-CD2 4.18Å; M112-F248 HydrophobicContact CE-CE2 3.11Å; M112-F248 HydrophobicContact CE-CZ 3.37Å; M112-F248 HydrophobicContact SD-CE2 3.83Å |
| 113 | G | 94.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 17.5 Ų | 17.5 | 5% | 0.052 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59 | -44.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I109 I110 L111 S116 L117 | I109-G113 PolarHBondContact O-N 3.29Å; I109-G113 VanDerWaalsContact O-N 3.08Å; I110-G113 PolarHBondContact O-N 2.9Å; I110-G113 VanDerWaalsContact O-N 3.12Å; L111-G113 PolarHBondContact O-N 3.08Å; G113-S116 PolarHBondContact O-N 3.09Å; G113-L117 WeakPolarHBondContact O-CB 3.27Å; G113-L117 PolarHBondContact O-N 3.31Å |
| 114 | L | 93.9 | Very high | 91.2 | Very high | 26 Ų | 26 | 19 Ų | 19 | 14% | 0.136 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.6 | -41 | 177.5 | -66.8 | 178.9 | 0 | 0 | 0 | 112.4 | Y59 I110 L111 M112 S116 L117 E118 L143 | Y59-L114 HydrophobicContact CD1-CB 4.33Å; Y59-L114 HydrophobicContact CD1-CD1 4.32Å; Y59-L114 HydrophobicContact CE1-CB 3.96Å; Y59-L114 HydrophobicContact CE1-CD1 3.71Å; Y59-L114 HydrophobicContact CE1-CG 4.45Å; Y59-L114 HydrophobicContact CE2-CB 4.28Å; I110-L114 HydrophobicContact CG2-CD1 4.15Å; I110-L114 HydrophobicContact CG2-CG 4.36Å; I110-L114 WeakPolarHBondContact O-CG 3.3Å; I110-L114 PolarHBondContact O-N 3.19Å; L111-L114 PolarHBondContact O-N 2.88Å; M112-L114 PolarHBondContact O-N 3.07Å; L114-S116 VanDerWaalsContact C-N 3.35Å; L114-L117 PolarHBondContact O-N 3.06Å; L114-E118 PolarHBondContact O-N 3.41Å; L114-L143 HydrophobicContact CD1-CB 4.04Å; L114-L143 HydrophobicContact CD1-CD1 4.47Å; L114-L143 HydrophobicContact CD2-CD1 3.98Å |
| 115 | I | 91.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.8 | -45.7 | 174.7 | -73.6 | 166 | 0 | 0 | 0 | 110.3 | M56 Y59 L60 M63 L111 M112 L117 E118 R119 L240 | M56-I115 HydrophobicContact CE-CG2 3.83Å; M56-I115 HydrophobicContact SD-CG1 4.45Å; M56-I115 HydrophobicContact SD-CG2 4.05Å; Y59-I115 HydrophobicContact CD2-CG1 4.15Å; Y59-I115 HydrophobicContact CG-CG1 4.16Å; L60-I115 HydrophobicContact CD2-CD1 4.21Å; M63-I115 HydrophobicContact CG-CD1 4.41Å; M63-I115 HydrophobicContact SD-CD1 4.04Å; L111-I115 WeakPolarHBondContact O-CB 3.41Å; L111-I115 WeakPolarHBondContact O-CG1 3.36Å; L111-I115 PolarHBondContact O-N 3.37Å; M112-I115 PolarHBondContact O-N 2.93Å; I115-L117 VanDerWaalsContact C-N 3.32Å; I115-L117 PolarHBondContact O-N 3.29Å; I115-E118 PolarHBondContact O-N 3.48Å; I115-R119 VanDerWaalsContact O-CG 3.31Å; I115-R119 WeakPolarHBondContact O-CG 3.21Å; I115-R119 PolarHBondContact O-N 3.33Å; I115-L240 HydrophobicContact CB-CD1 4.35Å; I115-L240 HydrophobicContact CG2-CD1 3.57Å |
| 116 | S | 91.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.2 | -36.4 | 178.4 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | M112 G113 L114 R119 Y120 L204 Y208 L240 | M112-S116 PolarHBondContact O-N 2.94Å; M112-S116 PolarHBondContact O-OG 3.16Å; M112-S116 VanDerWaalsContact O-OG 3.1Å; G113-S116 PolarHBondContact O-N 3.09Å; L114-S116 VanDerWaalsContact C-N 3.35Å; S116-R119 PolarHBondContact O-N 3.18Å; S116-Y120 WeakPolarHBondContact O-CB 3.48Å; S116-Y120 PolarHBondContact O-N 3.42Å; S116-L204 WeakPolarHBondContact OG-CD2 2.93Å; S116-Y208 WeakPolarHBondContact OG-CE2 3.31Å; S116-Y208 PolarHBondContact OG-OH 3.05Å; S116-L240 WeakPolarHBondContact OG-CD2 3.39Å |
| 117 | L | 91.2 | Very high | 86.3 | Confident | 49 Ų | 49 | 36.5 Ų | 36.5 | 26% | 0.257 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.9 | -41.8 | 175.8 | -170.8 | 61.1 | 0 | 0 | 0 | 112.3 | G113 L114 I115 R119 Y120 V121 L134 V203 | G113-L117 WeakPolarHBondContact O-CB 3.27Å; G113-L117 PolarHBondContact O-N 3.31Å; L114-L117 PolarHBondContact O-N 3.06Å; I115-L117 VanDerWaalsContact C-N 3.32Å; I115-L117 PolarHBondContact O-N 3.29Å; L117-R119 VanDerWaalsContact C-N 3.31Å; L117-R119 PolarHBondContact O-N 3.36Å; L117-Y120 HydrophobicContact CD1-CD1 4.11Å; L117-Y120 PolarHBondContact O-N 3.4Å; L117-V121 WeakPolarHBondContact O-CG2 3.36Å; L117-V121 PolarHBondContact O-N 2.88Å; L117-L134 HydrophobicContact CB-CD2 4.28Å; L117-L134 HydrophobicContact CD1-CD2 4.48Å; L117-L134 HydrophobicContact CD2-CD2 3.3Å; L117-L134 HydrophobicContact CG-CD2 3.39Å; L117-V203 HydrophobicContact CB-CG1 4.44Å |
| 118 | E | 87.9 | Confident | 84.3 | Confident | 14 Ų | 14 | 39.6 Ų | 39.6 | 7% | 0.065 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.3 | -43.8 | 172.6 | -175.2 | -173.4 | 170.1 | 0 | 0 | 111.2 | M56 Y59 L114 I115 V121 K122 | M56-E118 WeakPolarHBondContact CA-OE2 3.41Å; M56-E118 WeakPolarHBondContact CB-OE1 3.32Å; M56-E118 VanDerWaalsContact N-CD 3.31Å; M56-E118 PolarHBondContact N-OE1 2.98Å; M56-E118 PolarHBondContact N-OE2 2.97Å; Y59-E118 VanDerWaalsContact CD2-OE2 3.3Å; Y59-E118 WeakPolarHBondContact CD2-OE2 3.43Å; Y59-E118 HydrophobicContact CE2-CB 4.48Å; Y59-E118 WeakPolarHBondContact CE2-OE2 3.31Å; L114-E118 PolarHBondContact O-N 3.41Å; I115-E118 PolarHBondContact O-N 3.48Å; E118-V121 PolarHBondContact O-N 2.87Å; E118-K122 WeakPolarHBondContact O-CB 3.19Å; E118-K122 PolarHBondContact O-N 3.48Å |
| 119 | R | 86.1 | Confident | 82 | Confident | 28 Ų | 28 | 46 Ų | 46 | 11% | 0.106 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 176.1 | -74.6 | -70.5 | -167.5 | -123.2 | 9.5 | 111.8 | M56 I115 S116 L117 V121 K122 V123 M301 | M56-R119 HydrophobicContact CE-CG 4.1Å; M56-R119 VanDerWaalsContact CE-NH1 3.3Å; I115-R119 VanDerWaalsContact O-CG 3.31Å; I115-R119 WeakPolarHBondContact O-CG 3.21Å; I115-R119 PolarHBondContact O-N 3.33Å; S116-R119 PolarHBondContact O-N 3.18Å; L117-R119 VanDerWaalsContact C-N 3.31Å; L117-R119 PolarHBondContact O-N 3.36Å; R119-V121 PolarHBondContact O-N 3.47Å; R119-K122 PolarHBondContact O-N 3.24Å; R119-V123 WeakPolarHBondContact O-CG2 3.47Å; R119-V123 PolarHBondContact O-N 2.75Å; R119-M301 VanDerWaalsContact CZ-SD 3.54Å; R119-M301 PolarHBondContact NE-SD 3.25Å; R119-M301 PolarHBondContact NH2-O 3.42Å; R119-M301 PolarHBondContact NH2-SD 2.92Å |
| 120 | Y | 87.4 | Confident | 80.1 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 8% | 0.082 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57 | -50.6 | 176.3 | 161.9 | -105.8 | 0 | 0 | 0 | 111.7 | S116 L117 K122 V123 V124 F206 C207 I211 | S116-Y120 WeakPolarHBondContact O-CB 3.48Å; S116-Y120 PolarHBondContact O-N 3.42Å; L117-Y120 HydrophobicContact CD1-CD1 4.11Å; L117-Y120 PolarHBondContact O-N 3.4Å; Y120-K122 VanDerWaalsContact C-N 3.29Å; Y120-K122 PolarHBondContact O-N 3.37Å; Y120-V123 PolarHBondContact O-N 3.38Å; Y120-V124 HydrophobicContact CD2-CB 3.91Å; Y120-V124 HydrophobicContact CD2-CG2 3.63Å; Y120-V124 HydrophobicContact CE2-CB 3.65Å; Y120-V124 HydrophobicContact CE2-CG1 3.83Å; Y120-V124 HydrophobicContact CE2-CG2 3.74Å; Y120-V124 WeakPolarHBondContact O-CB 3.37Å; Y120-V124 PolarHBondContact O-N 3.06Å; Y120-F206 HydrophobicContact CD1-CE1 4.38Å; Y120-F206 AromaticContact CE1-CE1 3.88Å; Y120-F206 HydrophobicContact CE1-CE1 3.88Å; Y120-F206 HydrophobicContact CE1-CZ 4.46Å; Y120-F206 HydrophobicContact CE2-CE1 4.41Å; Y120-F206 AromaticContact CZ-CE1 3.89Å; Y120-C207 HydrophobicContact CG-CB 4.45Å; Y120-I211 HydrophobicContact CD2-CG1 4.39Å |
| 121 | V | 86.1 | Confident | 78.6 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 178.3 | 173 | 0 | 0 | 0 | 0 | 110.7 | L117 E118 R119 R125 H132 L134 Q135 | L117-V121 WeakPolarHBondContact O-CG2 3.36Å; L117-V121 PolarHBondContact O-N 2.88Å; E118-V121 PolarHBondContact O-N 2.87Å; R119-V121 PolarHBondContact O-N 3.47Å; V121-R125 HydrophobicContact CG1-CB 4.42Å; V121-R125 CarbonylContact O-C 3.59Å; V121-R125 WeakPolarHBondContact O-CA 3.07Å; V121-R125 WeakPolarHBondContact O-CB 3.39Å; V121-R125 PolarHBondContact O-N 3.13Å; V121-R125 VanDerWaalsContact O-N 3.1Å; V121-H132 HydrophobicContact CG1-CB 3.5Å; V121-H132 VanDerWaalsContact CG1-CB 3.5Å; V121-L134 HydrophobicContact CG2-CD2 4.48Å; V121-Q135 HydrophobicContact CG1-CG 4.29Å |
| 122 | K | 82.5 | Confident | 77.5 | Confident | 118 Ų | 118 | 57.4 Ų | 57.4 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 179.6 | -172 | 174 | -179.1 | 174.8 | 0 | 113.5 | E118 R119 Y120 | E118-K122 WeakPolarHBondContact O-CB 3.19Å; E118-K122 PolarHBondContact O-N 3.48Å; R119-K122 PolarHBondContact O-N 3.24Å; Y120-K122 VanDerWaalsContact C-N 3.29Å; Y120-K122 PolarHBondContact O-N 3.37Å |
| 123 | V | 80.9 | Confident | 76.5 | Confident | 30 Ų | 30 | 60.9 Ų | 60.9 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -85.2 | -45.4 | -175.4 | 174.1 | 0 | 0 | 0 | 0 | 112 | R119 Y120 I211 F215 | R119-V123 WeakPolarHBondContact O-CG2 3.47Å; R119-V123 PolarHBondContact O-N 2.75Å; Y120-V123 PolarHBondContact O-N 3.38Å; V123-I211 HydrophobicContact CB-CG1 4.5Å; V123-I211 HydrophobicContact CG1-CG2 4.21Å; V123-F215 HydrophobicContact CG1-CE2 4.13Å; V123-F215 HydrophobicContact CG1-CZ 4.18Å |
| 124 | V | 80 | Confident | 75.3 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 25% | 0.248 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -95 | -32.9 | -169.1 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | Y120 I211 H214 | Y120-V124 HydrophobicContact CD2-CB 3.91Å; Y120-V124 HydrophobicContact CD2-CG2 3.63Å; Y120-V124 HydrophobicContact CE2-CB 3.65Å; Y120-V124 HydrophobicContact CE2-CG1 3.83Å; Y120-V124 HydrophobicContact CE2-CG2 3.74Å; Y120-V124 WeakPolarHBondContact O-CB 3.37Å; Y120-V124 PolarHBondContact O-N 3.06Å; V124-I211 HydrophobicContact CG2-CG1 4.06Å; V124-H214 HydrophobicContact CG2-CB 3.94Å |
| 125 | R | 73.1 | Confident | 74.3 | Confident | 111 Ų | 111 | 63.5 Ų | 63.5 | 42% | 0.419 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -101.1 | 19 | -177.4 | -61.6 | -171.2 | 175.7 | 171.7 | -3.2 | 113.7 | V121 S127 S128 H132 | V121-R125 HydrophobicContact CG1-CB 4.42Å; V121-R125 CarbonylContact O-C 3.59Å; V121-R125 WeakPolarHBondContact O-CA 3.07Å; V121-R125 WeakPolarHBondContact O-CB 3.39Å; V121-R125 PolarHBondContact O-N 3.13Å; V121-R125 VanDerWaalsContact O-N 3.1Å; R125-S127 PolarHBondContact O-N 3.09Å; R125-S128 PolarHBondContact O-OG 2.56Å; R125-H132 PolarHBondContact NH1-NE2 2.93Å; R125-H132 VanDerWaalsContact NH1-NE2 3.12Å |
| 126 | H | 63.5 | Low | 73.9 | Confident | 165 Ų | 165 | 72.3 Ų | 72.3 | 76% | 0.764 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -10.9 | 179.3 | -163.3 | 48.7 | 0 | 0 | 0 | 114.3 | ||
| 127 | S | 48.9 | Very low | 73.4 | Confident | 122 Ų | 122 | 73.9 Ų | 73.9 | 85% | 0.853 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -2 | -172.4 | -166.5 | 0 | 0 | 0 | 0 | 116 | R125 | R125-S127 PolarHBondContact O-N 3.09Š|
| 128 | S | 52.9 | Low | 73.1 | Confident | 68 Ų | 68 | 73.5 Ų | 73.5 | 48% | 0.476 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -98 | 123.4 | 177.1 | 55 | 0 | 0 | 0 | 0 | 110.7 | R125 C130 | R125-S128 PolarHBondContact O-OG 2.56Å; S128-C130 PolarHBondContact O-N 3.12Å |
| 129 | S | 48 | Very low | 73.1 | Confident | 137 Ų | 137 | 76.5 Ų | 76.5 | 96% | 0.958 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -55 | -9.1 | -178.3 | -145.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 130 | C | 56.8 | Low | 73.2 | Confident | 101 Ų | 101 | 75.2 Ų | 75.2 | 68% | 0.682 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -104.2 | 130.7 | 175.2 | -70.7 | 0 | 0 | 0 | 0 | 111.6 | S128 H132 | S128-C130 PolarHBondContact O-N 3.12Å; C130-H132 PolarHBondContact O-N 2.99Å |
| 131 | T | 63.8 | Low | 73.3 | Confident | 119 Ų | 119 | 80.8 Ų | 80.8 | 73% | 0.73 | 44% | 0.435 | S | S | * | . | trans | -58.5 | 117.7 | 168.4 | 46.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 132 | H | 73.3 | Confident | 73.7 | Confident | 48 Ų | 48 | 84.3 Ų | 84.3 | 22% | 0.222 | 46% | 0.456 | C | S | . | . | trans | -62.4 | 144.5 | -179.3 | -166.4 | -97.8 | 0 | 0 | 0 | 110.9 | V121 R125 C130 L134 Q135 | V121-H132 HydrophobicContact CG1-CB 3.5Å; V121-H132 VanDerWaalsContact CG1-CB 3.5Å; R125-H132 PolarHBondContact NH1-NE2 2.93Å; R125-H132 VanDerWaalsContact NH1-NE2 3.12Å; C130-H132 PolarHBondContact O-N 2.99Å; H132-L134 PolarHBondContact O-N 2.71Å; H132-Q135 WeakPolarHBondContact O-CB 3.42Å; H132-Q135 PolarHBondContact O-N 3.18Å | ||
| 133 | P | 72.1 | Confident | 74.2 | Confident | 74 Ų | 74 | 80.2 Ų | 80.2 | 48% | 0.481 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -51.9 | -37.1 | -177.7 | -29.5 | 35.1 | 0 | 0 | 0 | 114.1 | Q135 R136 F139 | P133-Q135 PolarHBondContact O-N 3.45Å; P133-Q135 VanDerWaalsContact O-N 3.16Å; P133-R136 VanDerWaalsContact O-CB 3.31Å; P133-R136 WeakPolarHBondContact O-CB 3.49Å; P133-R136 PolarHBondContact O-N 3.21Å; P133-F139 HydrophobicContact CB-CG 4.41Å; P133-F139 VanDerWaalsContact O-CB 3.23Å; P133-F139 WeakPolarHBondContact O-CB 3.5Å |
| 134 | L | 70.1 | Confident | 74.7 | Confident | 22 Ų | 22 | 79 Ų | 79 | 12% | 0.115 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -63.9 | -17.2 | 178.1 | -85.5 | 69.2 | 0 | 0 | 0 | 115.1 | L117 V121 H132 F139 T140 | L117-L134 HydrophobicContact CB-CD2 4.28Å; L117-L134 HydrophobicContact CD1-CD2 4.48Å; L117-L134 HydrophobicContact CD2-CD2 3.3Å; L117-L134 HydrophobicContact CG-CD2 3.39Å; V121-L134 HydrophobicContact CG2-CD2 4.48Å; H132-L134 PolarHBondContact O-N 2.71Å; L134-F139 HydrophobicContact CD1-CD1 4.1Å; L134-F139 HydrophobicContact CD1-CE1 3.45Å; L134-F139 VanDerWaalsContact CD1-CE1 3.45Å; L134-F139 HydrophobicContact CD1-CZ 4.19Å; L134-F139 HydrophobicContact CG-CD1 4.27Å; L134-F139 HydrophobicContact CG-CE1 3.86Å; L134-T140 VanDerWaalsContact O-CG2 3.3Å; L134-T140 WeakPolarHBondContact O-CG2 3.5Å |
| 135 | Q | 72.9 | Confident | 75.4 | Confident | 64 Ų | 64 | 82.6 Ų | 82.6 | 30% | 0.299 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -92.5 | -13.2 | 174.6 | -64.7 | 177.5 | -21.2 | 0 | 0 | 111.9 | V121 H132 P133 V137 | V121-Q135 HydrophobicContact CG1-CG 4.29Å; H132-Q135 WeakPolarHBondContact O-CB 3.42Å; H132-Q135 PolarHBondContact O-N 3.18Å; P133-Q135 PolarHBondContact O-N 3.45Å; P133-Q135 VanDerWaalsContact O-N 3.16Å; Q135-V137 PolarHBondContact O-N 3.3Å |
| 136 | R | 82.4 | Confident | 76.5 | Confident | 185 Ų | 185 | 82.4 Ų | 82.4 | 70% | 0.698 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -76.9 | 123.8 | 178.6 | -169.2 | 176.3 | -178 | -179.4 | 0.5 | 109.8 | P133 G138 F139 T140 | P133-R136 VanDerWaalsContact O-CB 3.31Å; P133-R136 WeakPolarHBondContact O-CB 3.49Å; P133-R136 PolarHBondContact O-N 3.21Å; R136-G138 PolarHBondContact O-N 3.48Å; R136-G138 VanDerWaalsContact O-N 3.16Å; R136-F139 HydrophobicContact CB-CB 4.48Å; R136-F139 PolarHBondContact O-N 2.92Å; R136-T140 PolarHBondContact O-N 2.85Å; R136-T140 VanDerWaalsContact O-N 3.1Å |
| 137 | V | 82.2 | Confident | 78 | Confident | 33 Ų | 33 | 74.9 Ų | 74.9 | 20% | 0.2 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -52.6 | -42 | -179.2 | 177.3 | 0 | 0 | 0 | 0 | 112 | V58 Q135 F139 T140 R141 | V58-V137 HydrophobicContact CG2-CG1 4.23Å; Q135-V137 PolarHBondContact O-N 3.3Å; V137-F139 PolarHBondContact O-N 2.84Å; V137-T140 WeakPolarHBondContact CA-OG1 3.47Å; V137-T140 PolarHBondContact O-N 3.3Å; V137-T140 PolarHBondContact O-OG1 3.03Å; V137-R141 HydrophobicContact CG1-CG 4.44Å; V137-R141 WeakPolarHBondContact O-CG 3.48Å; V137-R141 PolarHBondContact O-N 3.28Å |
| 138 | G | 84.3 | Confident | 80.2 | Confident | 40 Ų | 40 | 71.4 Ų | 71.4 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.1 | -46 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R136 R141 V142 | R136-G138 PolarHBondContact O-N 3.48Å; R136-G138 VanDerWaalsContact O-N 3.16Å; G138-R141 PolarHBondContact O-N 2.72Å; G138-V142 WeakPolarHBondContact O-CG2 3.37Å; G138-V142 PolarHBondContact O-N 3.3Å; G138-V142 VanDerWaalsContact O-N 3.15Å |
| 139 | F | 87.7 | Confident | 82.1 | Confident | 78 Ų | 78 | 71.3 Ų | 71.3 | 34% | 0.342 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.8 | -39.5 | 178.3 | -173.2 | -100.5 | 0 | 0 | 0 | 111.8 | P133 L134 R136 V137 R141 V142 L143 | P133-F139 HydrophobicContact CB-CG 4.41Å; P133-F139 VanDerWaalsContact O-CB 3.23Å; P133-F139 WeakPolarHBondContact O-CB 3.5Å; L134-F139 HydrophobicContact CD1-CD1 4.1Å; L134-F139 HydrophobicContact CD1-CE1 3.45Å; L134-F139 VanDerWaalsContact CD1-CE1 3.45Å; L134-F139 HydrophobicContact CD1-CZ 4.19Å; L134-F139 HydrophobicContact CG-CD1 4.27Å; L134-F139 HydrophobicContact CG-CE1 3.86Å; R136-F139 HydrophobicContact CB-CB 4.48Å; R136-F139 PolarHBondContact O-N 2.92Å; V137-F139 PolarHBondContact O-N 2.84Å; F139-R141 VanDerWaalsContact C-N 3.29Å; F139-R141 PolarHBondContact O-N 2.92Å; F139-V142 WeakPolarHBondContact O-CB 3.19Å; F139-V142 PolarHBondContact O-N 3.42Å; F139-V142 VanDerWaalsContact O-N 3.16Å; F139-L143 HydrophobicContact CD1-CD1 3.77Å; F139-L143 HydrophobicContact CD1-CG 4.2Å; F139-L143 HydrophobicContact CE1-CD1 3.41Å; F139-L143 VanDerWaalsContact CE1-CD1 3.41Å; F139-L143 HydrophobicContact CE1-CD2 4.31Å; F139-L143 HydrophobicContact CE1-CG 3.87Å; F139-L143 HydrophobicContact CZ-CD1 4.23Å; F139-L143 HydrophobicContact CZ-CD2 4.34Å; F139-L143 HydrophobicContact CZ-CG 4.29Å; F139-L143 PolarHBondContact O-N 2.9Å |
| 140 | T | 88.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.6 | -34.1 | 175.6 | 65.1 | 0 | 0 | 0 | 0 | 112.9 | G55 Y59 L134 R136 V137 L143 A144 | G55-T140 VanDerWaalsContact CA-CG2 3.49Å; Y59-T140 HydrophobicContact CE2-CG2 3.95Å; Y59-T140 WeakPolarHBondContact OH-CG2 3.42Å; L134-T140 VanDerWaalsContact O-CG2 3.3Å; L134-T140 WeakPolarHBondContact O-CG2 3.5Å; R136-T140 PolarHBondContact O-N 2.85Å; R136-T140 VanDerWaalsContact O-N 3.1Å; V137-T140 WeakPolarHBondContact CA-OG1 3.47Å; V137-T140 PolarHBondContact O-N 3.3Å; V137-T140 PolarHBondContact O-OG1 3.03Å; T140-L143 PolarHBondContact O-N 2.96Å; T140-A144 WeakPolarHBondContact O-CB 3.29Å; T140-A144 PolarHBondContact O-N 3.25Å |
| 141 | R | 90.1 | Very high | 85.8 | Confident | 139 Ų | 139 | 62.8 Ų | 62.8 | 53% | 0.525 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 173.2 | -71.2 | 177.9 | -173.4 | -179.5 | 3.5 | 111.4 | V58 V137 G138 F139 A144 L145 | V58-R141 HydrophobicContact CG1-CG 4.36Å; V137-R141 HydrophobicContact CG1-CG 4.44Å; V137-R141 WeakPolarHBondContact O-CG 3.48Å; V137-R141 PolarHBondContact O-N 3.28Å; G138-R141 PolarHBondContact O-N 2.72Å; F139-R141 VanDerWaalsContact C-N 3.29Å; F139-R141 PolarHBondContact O-N 2.92Å; R141-A144 PolarHBondContact O-N 3.47Å; R141-L145 WeakPolarHBondContact O-CB 3.31Å; R141-L145 VanDerWaalsContact O-CG 3.27Å; R141-L145 WeakPolarHBondContact O-CG 3.47Å; R141-L145 PolarHBondContact O-N 3.27Å |
| 142 | V | 92.9 | Very high | 87.1 | Confident | 75 Ų | 75 | 61.5 Ų | 61.5 | 46% | 0.455 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 175 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | G138 F139 A144 L145 L146 | G138-V142 WeakPolarHBondContact O-CG2 3.37Å; G138-V142 PolarHBondContact O-N 3.3Å; G138-V142 VanDerWaalsContact O-N 3.15Å; F139-V142 WeakPolarHBondContact O-CB 3.19Å; F139-V142 PolarHBondContact O-N 3.42Å; F139-V142 VanDerWaalsContact O-N 3.16Å; V142-A144 VanDerWaalsContact C-N 3.35Å; V142-A144 PolarHBondContact O-N 3.47Å; V142-L145 PolarHBondContact O-N 2.91Å; V142-L146 HydrophobicContact CG1-CD1 4.11Å; V142-L146 HydrophobicContact CG1-CG 4.39Å; V142-L146 WeakPolarHBondContact O-CG 3.45Å; V142-L146 PolarHBondContact O-N 3.08Å |
| 143 | L | 93.4 | Very high | 87.8 | Confident | 33 Ų | 33 | 64 Ų | 64 | 17% | 0.173 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 176.7 | -70.8 | 176.5 | 0 | 0 | 0 | 112.8 | Y59 L114 F139 T140 L146 T147 | Y59-L143 HydrophobicContact CE1-CB 4.47Å; Y59-L143 VanDerWaalsContact OH-CD1 3.29Å; Y59-L143 WeakPolarHBondContact OH-CD1 3.36Å; L114-L143 HydrophobicContact CD1-CB 4.04Å; L114-L143 HydrophobicContact CD1-CD1 4.47Å; L114-L143 HydrophobicContact CD2-CD1 3.98Å; F139-L143 HydrophobicContact CD1-CD1 3.77Å; F139-L143 HydrophobicContact CD1-CG 4.2Å; F139-L143 HydrophobicContact CE1-CD1 3.41Å; F139-L143 VanDerWaalsContact CE1-CD1 3.41Å; F139-L143 HydrophobicContact CE1-CD2 4.31Å; F139-L143 HydrophobicContact CE1-CG 3.87Å; F139-L143 HydrophobicContact CZ-CD1 4.23Å; F139-L143 HydrophobicContact CZ-CD2 4.34Å; F139-L143 HydrophobicContact CZ-CG 4.29Å; F139-L143 PolarHBondContact O-N 2.9Å; T140-L143 PolarHBondContact O-N 2.96Å; L143-L146 PolarHBondContact O-N 3.46Å; L143-T147 WeakPolarHBondContact O-CB 3.45Å; L143-T147 PolarHBondContact O-N 2.98Å; L143-T147 PolarHBondContact O-OG1 3.43Å |
| 144 | A | 93.1 | Very high | 88.3 | Confident | 5 Ų | 5 | 61.5 Ų | 61.5 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | V58 T140 R141 V142 L146 T147 W148 | V58-A144 HydrophobicContact CG1-CB 4.45Å; T140-A144 WeakPolarHBondContact O-CB 3.29Å; T140-A144 PolarHBondContact O-N 3.25Å; R141-A144 PolarHBondContact O-N 3.47Å; V142-A144 VanDerWaalsContact C-N 3.35Å; V142-A144 PolarHBondContact O-N 3.47Å; A144-L146 PolarHBondContact O-N 3.1Å; A144-T147 WeakPolarHBondContact O-CB 3.28Å; A144-T147 PolarHBondContact O-N 3.36Å; A144-T147 VanDerWaalsContact O-N 3.16Å; A144-W148 PolarHBondContact O-N 3.46Å |
| 145 | L | 94.3 | Very high | 89.2 | Confident | 115 Ų | 115 | 61.6 Ų | 61.6 | 60% | 0.602 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59.1 | -45 | 176.2 | -72.8 | 169.8 | 0 | 0 | 0 | 111.8 | R141 V142 T147 W148 S149 | R141-L145 WeakPolarHBondContact O-CB 3.31Å; R141-L145 VanDerWaalsContact O-CG 3.27Å; R141-L145 WeakPolarHBondContact O-CG 3.47Å; R141-L145 PolarHBondContact O-N 3.27Å; V142-L145 PolarHBondContact O-N 2.91Å; L145-T147 VanDerWaalsContact C-N 3.29Å; L145-T147 PolarHBondContact O-N 3.34Å; L145-W148 PolarHBondContact O-N 2.86Å; L145-S149 PolarHBondContact O-N 3.49Å; L145-S149 PolarHBondContact O-OG 3.12Å; L145-S149 VanDerWaalsContact O-OG 3.08Å |
| 146 | L | 94.9 | Very high | 89.9 | Confident | 107 Ų | 107 | 63.4 Ų | 63.4 | 56% | 0.56 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.4 | -40 | 175.8 | -71.1 | 173.7 | 0 | 0 | 0 | 111.9 | V142 L143 A144 S149 L150 | V142-L146 HydrophobicContact CG1-CD1 4.11Å; V142-L146 HydrophobicContact CG1-CG 4.39Å; V142-L146 WeakPolarHBondContact O-CG 3.45Å; V142-L146 PolarHBondContact O-N 3.08Å; L143-L146 PolarHBondContact O-N 3.46Å; A144-L146 PolarHBondContact O-N 3.1Å; L146-S149 PolarHBondContact O-N 3.26Å; L146-L150 PolarHBondContact O-N 3.29Å |
| 147 | T | 94.7 | Very high | 90.1 | Very high | 8 Ų | 8 | 56 Ų | 56 | 5% | 0.049 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 177.3 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | V107 I110 L143 A144 L145 L150 L151 | V107-T147 HydrophobicContact CB-CG2 4.21Å; V107-T147 HydrophobicContact CG1-CG2 3.93Å; V107-T147 HydrophobicContact CG2-CG2 4.08Å; I110-T147 HydrophobicContact CB-CG2 3.99Å; I110-T147 HydrophobicContact CD1-CG2 4.14Å; I110-T147 HydrophobicContact CG2-CG2 3.82Å; L143-T147 WeakPolarHBondContact O-CB 3.45Å; L143-T147 PolarHBondContact O-N 2.98Å; L143-T147 PolarHBondContact O-OG1 3.43Å; A144-T147 WeakPolarHBondContact O-CB 3.28Å; A144-T147 PolarHBondContact O-N 3.36Å; A144-T147 VanDerWaalsContact O-N 3.16Å; L145-T147 VanDerWaalsContact C-N 3.29Å; L145-T147 PolarHBondContact O-N 3.34Å; T147-L150 WeakPolarHBondContact O-CB 3.45Å; T147-L150 PolarHBondContact O-N 3.01Å; T147-L151 PolarHBondContact O-N 3.37Å |
| 148 | W | 95.2 | Very high | 90.3 | Very high | 48 Ų | 48 | 55 Ų | 55 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.6 | -38.9 | 175.1 | -75.1 | 111.3 | 0 | 0 | 0 | 113.3 | N62 V65 A66 L69 V107 A144 L145 L150 L151 L152 | N62-W148 PolarHBondContact OD1-NE1 3.31Å; V65-W148 HydrophobicContact CB-CH2 4.29Å; V65-W148 HydrophobicContact CB-CZ2 3.99Å; V65-W148 HydrophobicContact CG1-CH2 3.67Å; V65-W148 HydrophobicContact CG1-CZ2 3.7Å; A66-W148 HydrophobicContact CB-CH2 4.33Å; L69-W148 HydrophobicContact CD1-CH2 3.61Å; L69-W148 HydrophobicContact CD1-CZ3 3.52Å; V107-W148 HydrophobicContact CG1-CH2 4.43Å; V107-W148 HydrophobicContact CG1-CZ2 4.32Å; A144-W148 PolarHBondContact O-N 3.46Å; L145-W148 PolarHBondContact O-N 2.86Å; W148-L150 PolarHBondContact O-N 2.92Å; W148-L151 HydrophobicContact CE3-CB 4.48Å; W148-L151 HydrophobicContact CE3-CD1 4.03Å; W148-L151 HydrophobicContact CE3-CD2 4.24Å; W148-L151 HydrophobicContact CE3-CG 4.48Å; W148-L151 HydrophobicContact CZ3-CD1 3.76Å; W148-L151 HydrophobicContact CZ3-CD2 4.45Å; W148-L151 WeakPolarHBondContact O-CB 3.49Å; W148-L151 PolarHBondContact O-N 3.31Å; W148-L151 VanDerWaalsContact O-N 3.14Å; W148-L152 WeakPolarHBondContact O-CG 3.43Å; W148-L152 PolarHBondContact O-N 3.36Å |
| 149 | S | 94 | Very high | 90.5 | Very high | 67 Ų | 67 | 54.6 Ų | 54.6 | 47% | 0.469 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.4 | -37.4 | 173.2 | -64.7 | 0 | 0 | 0 | 0 | 111.4 | L145 L146 L152 L153 | L145-S149 PolarHBondContact O-N 3.49Å; L145-S149 PolarHBondContact O-OG 3.12Å; L145-S149 VanDerWaalsContact O-OG 3.08Å; L146-S149 PolarHBondContact O-N 3.26Å; S149-L152 PolarHBondContact O-N 2.93Å; S149-L153 WeakPolarHBondContact O-CB 3.03Å; S149-L153 PolarHBondContact O-N 3.33Å |
| 150 | L | 89.9 | Confident | 90.6 | Very high | 44 Ų | 44 | 57.8 Ų | 57.8 | 23% | 0.23 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 175.7 | -167.6 | 60.3 | 0 | 0 | 0 | 112.7 | I110 L146 T147 W148 S154 F192 L196 | I110-L150 HydrophobicContact CD1-CD2 3.83Å; L146-L150 PolarHBondContact O-N 3.29Å; T147-L150 WeakPolarHBondContact O-CB 3.45Å; T147-L150 PolarHBondContact O-N 3.01Å; W148-L150 PolarHBondContact O-N 2.92Å; L150-S154 WeakPolarHBondContact O-CB 3.38Å; L150-S154 PolarHBondContact O-N 2.92Å; L150-S154 PolarHBondContact O-OG 3.14Å; L150-F192 HydrophobicContact CD1-CE1 3.63Å; L150-F192 HydrophobicContact CD1-CZ 3.8Å; L150-F192 HydrophobicContact CD2-CE1 3.94Å; L150-F192 HydrophobicContact CD2-CZ 4.07Å; L150-F192 HydrophobicContact CG-CE1 4.04Å; L150-F192 HydrophobicContact CG-CZ 4.43Å; L150-L196 HydrophobicContact CD2-CD1 3.9Å; L150-L196 HydrophobicContact CD2-CD2 4.5Å |
| 151 | L | 91.3 | Very high | 90.7 | Very high | 14 Ų | 14 | 59.4 Ų | 59.4 | 7% | 0.073 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.4 | -52.4 | 169.7 | 172.3 | 145.6 | 0 | 0 | 0 | 110.4 | V107 T147 W148 L153 S154 V155 | V107-L151 HydrophobicContact CG2-CB 3.74Å; V107-L151 HydrophobicContact CG2-CD1 3.59Å; V107-L151 HydrophobicContact CG2-CG 4.31Å; T147-L151 PolarHBondContact O-N 3.37Å; W148-L151 HydrophobicContact CE3-CB 4.48Å; W148-L151 HydrophobicContact CE3-CD1 4.03Å; W148-L151 HydrophobicContact CE3-CD2 4.24Å; W148-L151 HydrophobicContact CE3-CG 4.48Å; W148-L151 HydrophobicContact CZ3-CD1 3.76Å; W148-L151 HydrophobicContact CZ3-CD2 4.45Å; W148-L151 WeakPolarHBondContact O-CB 3.49Å; W148-L151 PolarHBondContact O-N 3.31Å; W148-L151 VanDerWaalsContact O-N 3.14Å; L151-L153 VanDerWaalsContact C-N 3.34Å; L151-L153 PolarHBondContact O-N 2.94Å; L151-S154 WeakPolarHBondContact O-CB 3.24Å; L151-S154 PolarHBondContact O-N 3Å; L151-V155 HydrophobicContact CD2-CG2 4.02Å; L151-V155 HydrophobicContact CG-CG2 4.08Å; L151-V155 VanDerWaalsContact O-CG2 3.23Å; L151-V155 WeakPolarHBondContact O-CG2 3.36Å; L151-V155 PolarHBondContact O-N 3.18Å |
| 152 | L | 91.3 | Very high | 90.6 | Very high | 92 Ų | 92 | 52.9 Ų | 52.9 | 48% | 0.482 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | -177.8 | -68.3 | 174.2 | 0 | 0 | 0 | 112 | W148 S149 S154 V155 L156 | W148-L152 WeakPolarHBondContact O-CG 3.43Å; W148-L152 PolarHBondContact O-N 3.36Å; S149-L152 PolarHBondContact O-N 2.93Å; L152-S154 PolarHBondContact O-N 3.29Å; L152-V155 PolarHBondContact O-N 3.34Å; L152-L156 WeakPolarHBondContact O-CB 3.38Å; L152-L156 WeakPolarHBondContact O-CG 3.15Å; L152-L156 PolarHBondContact O-N 2.99Å |
| 153 | L | 89.2 | Confident | 90.4 | Very high | 100 Ų | 100 | 52.8 Ų | 52.8 | 52% | 0.524 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.9 | -34 | 176 | -177 | 62.1 | 0 | 0 | 0 | 112 | S149 L151 P157 W185 | S149-L153 WeakPolarHBondContact O-CB 3.03Å; S149-L153 PolarHBondContact O-N 3.33Å; L151-L153 VanDerWaalsContact C-N 3.34Å; L151-L153 PolarHBondContact O-N 2.94Å; L153-P157 WeakPolarHBondContact O-CD 3.27Å; L153-P157 VanDerWaalsContact O-CG 3.32Å; L153-P157 WeakPolarHBondContact O-CG 3.4Å; L153-W185 WeakPolarHBondContact O-CZ2 3.34Å |
| 154 | S | 83.1 | Confident | 90.2 | Very high | 23 Ų | 23 | 55 Ų | 55 | 16% | 0.161 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -77.8 | -38.7 | 177.2 | -58.3 | 0 | 0 | 0 | 0 | 112.4 | L150 L151 L152 N158 | L150-S154 WeakPolarHBondContact O-CB 3.38Å; L150-S154 PolarHBondContact O-N 2.92Å; L150-S154 PolarHBondContact O-OG 3.14Å; L151-S154 WeakPolarHBondContact O-CB 3.24Å; L151-S154 PolarHBondContact O-N 3Å; L152-S154 PolarHBondContact O-N 3.29Å; S154-N158 WeakPolarHBondContact O-CB 3.4Å; S154-N158 PolarHBondContact O-ND2 2.94Å |
| 155 | V | 87.3 | Confident | 89.9 | Confident | 24 Ų | 24 | 60.4 Ų | 60.4 | 15% | 0.145 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -72.4 | -54 | -175.9 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | V99 S103 L151 L152 N158 V159 | V99-V155 HydrophobicContact CG1-CB 4.1Å; V99-V155 HydrophobicContact CG1-CG1 4.09Å; V99-V155 HydrophobicContact CG1-CG2 4.01Å; S103-V155 VanDerWaalsContact OG-CG2 3.31Å; S103-V155 WeakPolarHBondContact OG-CG2 3.5Å; L151-V155 HydrophobicContact CD2-CG2 4.02Å; L151-V155 HydrophobicContact CG-CG2 4.08Å; L151-V155 VanDerWaalsContact O-CG2 3.23Å; L151-V155 WeakPolarHBondContact O-CG2 3.36Å; L151-V155 PolarHBondContact O-N 3.18Å; L152-V155 PolarHBondContact O-N 3.34Å; V155-N158 PolarHBondContact O-N 3.37Å; V155-N158 VanDerWaalsContact O-N 3.14Å; V155-V159 HydrophobicContact CG1-CG2 3.88Å; V155-V159 WeakPolarHBondContact O-CG2 3.34Å; V155-V159 PolarHBondContact O-N 2.98Å |
| 156 | L | 87.9 | Confident | 89.6 | Confident | 101 Ų | 101 | 56.1 Ų | 56.1 | 53% | 0.529 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.2 | -50.4 | -167.9 | -69.8 | 171.5 | 0 | 0 | 0 | 112.9 | L152 N158 V159 M160 | L152-L156 WeakPolarHBondContact O-CB 3.38Å; L152-L156 WeakPolarHBondContact O-CG 3.15Å; L152-L156 PolarHBondContact O-N 2.99Å; L156-N158 VanDerWaalsContact C-N 3.33Å; L156-N158 PolarHBondContact O-N 3.38Å; L156-V159 PolarHBondContact O-N 3.12Å; L156-M160 WeakPolarHBondContact O-CB 3.49Å; L156-M160 VanDerWaalsContact O-CG 3.3Å; L156-M160 WeakPolarHBondContact O-CG 3.43Å; L156-M160 PolarHBondContact O-N 2.97Å |
| 157 | P | 88.1 | Confident | 89.3 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 19% | 0.188 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70 | -32.6 | -180 | -15.6 | 31.6 | 0 | 0 | 0 | 111.7 | L153 V159 L161 W185 | L153-P157 WeakPolarHBondContact O-CD 3.27Å; L153-P157 VanDerWaalsContact O-CG 3.32Å; L153-P157 WeakPolarHBondContact O-CG 3.4Å; P157-V159 VanDerWaalsContact C-N 3.32Å; P157-V159 PolarHBondContact O-N 3.48Å; P157-L161 HydrophobicContact CB-CD1 4.16Å; P157-L161 WeakPolarHBondContact O-CB 3.34Å; P157-L161 WeakPolarHBondContact O-CD1 3.36Å; P157-L161 WeakPolarHBondContact O-CG 3.48Å; P157-L161 PolarHBondContact O-N 3.26Å; P157-W185 HydrophobicContact CB-CD2 4Å; P157-W185 HydrophobicContact CB-CG 4.19Å; P157-W185 HydrophobicContact CB-CZ2 4.11Å; P157-W185 HydrophobicContact CG-CD2 4.48Å; P157-W185 HydrophobicContact CG-CH2 4.29Å; P157-W185 HydrophobicContact CG-CZ2 3.7Å |
| 158 | N | 85.4 | Confident | 88.9 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 6% | 0.064 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 175.8 | -92.1 | -65.1 | 0 | 0 | 0 | 111.9 | V99 S154 V155 L156 T162 K178 W185 S189 | V99-N158 HydrophobicContact CG1-CB 3.82Å; V99-N158 HydrophobicContact CG2-CB 4.07Å; S154-N158 WeakPolarHBondContact O-CB 3.4Å; S154-N158 PolarHBondContact O-ND2 2.94Å; V155-N158 PolarHBondContact O-N 3.37Å; V155-N158 VanDerWaalsContact O-N 3.14Å; L156-N158 VanDerWaalsContact C-N 3.33Å; L156-N158 PolarHBondContact O-N 3.38Å; N158-T162 WeakPolarHBondContact O-CB 3.39Å; N158-T162 PolarHBondContact O-OG1 3.4Å; N158-K178 PolarHBondContact O-NZ 3.21Å; N158-K178 PolarHBondContact OD1-NZ 2.97Å; N158-W185 PolarHBondContact ND2-NE1 3.5Å; N158-S189 PolarHBondContact ND2-OG 2.76Å |
| 159 | V | 88.9 | Confident | 88.4 | Confident | 33 Ų | 33 | 63.9 Ų | 63.9 | 20% | 0.2 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.5 | -54.6 | 175.2 | 173.6 | 0 | 0 | 0 | 0 | 110.1 | R95 Y96 V155 L156 P157 L161 T162 | R95-V159 VanDerWaalsContact O-CG2 3.31Å; R95-V159 WeakPolarHBondContact O-CG2 3.47Å; Y96-V159 HydrophobicContact CD1-CG1 3.83Å; Y96-V159 HydrophobicContact CD1-CG2 4.14Å; Y96-V159 HydrophobicContact CE1-CG1 3.4Å; V155-V159 HydrophobicContact CG1-CG2 3.88Å; V155-V159 WeakPolarHBondContact O-CG2 3.34Å; V155-V159 PolarHBondContact O-N 2.98Å; L156-V159 PolarHBondContact O-N 3.12Å; P157-V159 VanDerWaalsContact C-N 3.32Å; P157-V159 PolarHBondContact O-N 3.48Å; V159-L161 VanDerWaalsContact C-N 3.33Å; V159-L161 PolarHBondContact O-N 3.29Å; V159-T162 PolarHBondContact O-N 3.48Å |
| 160 | M | 89.2 | Confident | 88 | Confident | 144 Ų | 144 | 61.5 Ų | 61.5 | 71% | 0.709 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.7 | -37.6 | -174.7 | -68.7 | -179.1 | 78.3 | 0 | 0 | 112.9 | L156 T162 | L156-M160 WeakPolarHBondContact O-CB 3.49Å; L156-M160 VanDerWaalsContact O-CG 3.3Å; L156-M160 WeakPolarHBondContact O-CG 3.43Å; L156-M160 PolarHBondContact O-N 2.97Å; M160-T162 VanDerWaalsContact C-N 3.3Å; M160-T162 PolarHBondContact O-N 3.22Å |
| 161 | L | 90.1 | Very high | 87.8 | Confident | 35 Ų | 35 | 59.5 Ų | 59.5 | 18% | 0.183 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -0 | -177.9 | -59.2 | 170.3 | 0 | 0 | 0 | 113.4 | P157 V159 S163 K178 T179 L181 G182 W185 | P157-L161 HydrophobicContact CB-CD1 4.16Å; P157-L161 WeakPolarHBondContact O-CB 3.34Å; P157-L161 WeakPolarHBondContact O-CD1 3.36Å; P157-L161 WeakPolarHBondContact O-CG 3.48Å; P157-L161 PolarHBondContact O-N 3.26Å; V159-L161 VanDerWaalsContact C-N 3.33Å; V159-L161 PolarHBondContact O-N 3.29Å; L161-S163 VanDerWaalsContact C-N 3.31Å; L161-S163 PolarHBondContact O-N 3.49Å; L161-K178 WeakPolarHBondContact O-CA 3.25Å; L161-T179 PolarHBondContact O-N 3.49Å; L161-T179 PolarHBondContact O-OG1 2.86Å; L161-L181 HydrophobicContact CD1-CD2 4.42Å; L161-L181 HydrophobicContact CD1-CG 4.18Å; L161-L181 HydrophobicContact CD2-CB 4.43Å; L161-L181 HydrophobicContact CD2-CD2 4.02Å; L161-L181 HydrophobicContact CD2-CG 4.36Å; L161-G182 VanDerWaalsContact CB-CA 3.43Å; L161-W185 HydrophobicContact CD1-CB 3.99Å; L161-W185 HydrophobicContact CD1-CG 4.31Å |
| 162 | T | 88.4 | Confident | 87.4 | Confident | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.012 | 35% | 0.349 | C | S | . | . | trans | -95.9 | 55.8 | 171.9 | -50.6 | 0 | 0 | 0 | 0 | 110.1 | R95 N158 V159 M160 L177 K178 | R95-T162 HydrophobicContact CG-CG2 3.67Å; R95-T162 PolarHBondContact NE-O 2.98Å; R95-T162 PolarHBondContact NH2-O 3.5Å; N158-T162 WeakPolarHBondContact O-CB 3.39Å; N158-T162 PolarHBondContact O-OG1 3.4Å; V159-T162 PolarHBondContact O-N 3.48Å; M160-T162 VanDerWaalsContact C-N 3.3Å; M160-T162 PolarHBondContact O-N 3.22Å; T162-L177 CarbonylContact C-O 3.53Å; T162-L177 VanDerWaalsContact C-O 3.29Å; T162-L177 WeakPolarHBondContact CA-O 3.42Å; T162-L177 HydrophobicContact CG2-CB 3.61Å; T162-K178 HydrophobicContact CG2-CG 4.13Å; T162-K178 WeakPolarHBondContact OG1-CG 3.43Å; T162-K178 PolarHBondContact OG1-NZ 3.42Å | ||
| 163 | S | 89.1 | Confident | 87 | Confident | 73 Ų | 73 | 67.4 Ų | 67.4 | 51% | 0.51 | 35% | 0.352 | S | S | . | . | trans | -107.3 | -2.8 | -168.8 | 58.3 | 0 | 0 | 0 | 0 | 115.2 | L161 L177 T179 | L161-S163 VanDerWaalsContact C-N 3.31Å; L161-S163 PolarHBondContact O-N 3.49Å; S163-L177 PolarHBondContact N-O 3.42Å; S163-T179 WeakPolarHBondContact OG-CG2 3.44Å | ||
| 164 | K | 89.2 | Confident | 86.9 | Confident | 79 Ų | 79 | 65 Ų | 65 | 34% | 0.343 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -61.5 | 149.5 | 179 | -73.4 | -173.9 | 172.8 | 178.6 | 0 | 111.3 | R95 Q176 L177 K178 | R95-K164 PolarHBondContact NH2-O 3.24Å; R95-K164 VanDerWaalsContact NH2-O 3.12Å; K164-Q176 WeakPolarHBondContact CD-O 3.11Å; K164-L177 WeakPolarHBondContact CB-O 3.5Å; K164-L177 PolarHBondContact N-O 3.48Å; K164-L177 VanDerWaalsContact N-O 3.13Å; K164-K178 WeakPolarHBondContact CD-O 3.49Å; K164-K178 WeakPolarHBondContact CE-O 3.29Å; K164-K178 PolarHBondContact NZ-O 3.45Å |
| 165 | P | 87.4 | Confident | 87.1 | Confident | 118 Ų | 118 | 67.4 Ų | 67.4 | 77% | 0.766 | 36% | 0.356 | S | S | * | . | trans | -59.2 | 151.4 | 172.8 | 27.2 | -34.5 | 0 | 0 | 0 | 110 | ||||
| 166 | A | 88.1 | Confident | 87 | Confident | 26 Ų | 26 | 70.7 Ų | 70.7 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | trans | -125.9 | 142.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | W87 V91 S170 L177 | W87-A166 HydrophobicContact CE3-CB 4.19Å; W87-A166 HydrophobicContact CZ3-CB 4.13Å; V91-A166 HydrophobicContact CG2-CB 3.41Å; V91-A166 VanDerWaalsContact CG2-CB 3.41Å; A166-S170 WeakPolarHBondContact CA-OG 3.46Å; A166-L177 HydrophobicContact CB-CD2 3.54Å | ||
| 167 | D | 88.5 | Confident | 87.1 | Confident | 86 Ų | 86 | 65.9 Ų | 65.9 | 46% | 0.46 | 35% | 0.345 | S | S | . | . | trans | -129.8 | -176.2 | 169.8 | 60.5 | 49.3 | 0 | 0 | 0 | 110.7 | E169 S170 S171 | D167-E169 VanDerWaalsContact C-N 3.25Å; D167-E169 PolarHBondContact O-N 2.99Å; D167-E169 WeakPolarHBondContact OD1-CA 3.33Å; D167-E169 WeakPolarHBondContact OD1-CB 3.46Å; D167-E169 PolarHBondContact OD1-N 3.39Å; D167-S170 PolarHBondContact N-OG 3.13Å; D167-S170 PolarHBondContact OD1-N 3.19Å; D167-S170 PolarHBondContact OD1-OG 3.47Å; D167-S171 WeakPolarHBondContact O-CB 3.43Å; D167-S171 PolarHBondContact O-N 3.47Å; D167-S171 PolarHBondContact O-OG 3.25Å | ||
| 168 | E | 85.5 | Confident | 87.1 | Confident | 92 Ų | 92 | 64.8 Ų | 64.8 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -29.4 | -179.9 | -85 | -68.5 | 167.8 | 0 | 0 | 114 | W87 S171 R172 | W87-E168 HydrophobicContact CB-CG 4.39Å; W87-E168 VanDerWaalsContact CD1-OE1 3.28Å; W87-E168 HydrophobicContact CG-CG 4.49Å; E168-S171 PolarHBondContact O-OG 2.92Å; E168-R172 WeakPolarHBondContact O-CG 3.18Å; E168-R172 PolarHBondContact O-NE 2.87Å |
| 169 | E | 84.1 | Confident | 87.5 | Confident | 147 Ų | 147 | 65.6 Ų | 65.6 | 69% | 0.687 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -51 | 179 | -172.9 | 179.3 | 170.3 | 0 | 0 | 110.4 | D167 S171 R172 | D167-E169 VanDerWaalsContact C-N 3.25Å; D167-E169 PolarHBondContact O-N 2.99Å; D167-E169 WeakPolarHBondContact OD1-CA 3.33Å; D167-E169 WeakPolarHBondContact OD1-CB 3.46Å; D167-E169 PolarHBondContact OD1-N 3.39Å; E169-S171 VanDerWaalsContact C-N 3.26Å; E169-S171 PolarHBondContact O-N 2.92Å; E169-R172 WeakPolarHBondContact O-CB 3.34Å; E169-R172 WeakPolarHBondContact O-CG 3.44Å; E169-R172 PolarHBondContact O-N 3.37Å; E169-R172 VanDerWaalsContact O-N 3.13Å |
| 170 | S | 86.3 | Confident | 87.6 | Confident | 17 Ų | 17 | 68.6 Ų | 68.6 | 12% | 0.119 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -66.6 | -29.4 | -176.2 | 81.8 | 0 | 0 | 0 | 0 | 112.5 | A166 D167 R172 H173 L177 | A166-S170 WeakPolarHBondContact CA-OG 3.46Å; D167-S170 PolarHBondContact N-OG 3.13Å; D167-S170 PolarHBondContact OD1-N 3.19Å; D167-S170 PolarHBondContact OD1-OG 3.47Å; S170-R172 PolarHBondContact O-N 2.99Å; S170-H173 PolarHBondContact O-N 3.02Å; S170-L177 WeakPolarHBondContact O-CD1 3.25Å |
| 171 | S | 84.8 | Confident | 87.7 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.014 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -67.4 | -17.3 | 177.3 | 66.3 | 0 | 0 | 0 | 0 | 113.5 | W87 D167 E168 E169 H173 | W87-S171 WeakPolarHBondContact CB-OG 3.46Å; D167-S171 WeakPolarHBondContact O-CB 3.43Å; D167-S171 PolarHBondContact O-N 3.47Å; D167-S171 PolarHBondContact O-OG 3.25Å; E168-S171 PolarHBondContact O-OG 2.92Å; E169-S171 VanDerWaalsContact C-N 3.26Å; E169-S171 PolarHBondContact O-N 2.92Å; S171-H173 VanDerWaalsContact C-N 3.27Å; S171-H173 PolarHBondContact O-N 3.02Å |
| 172 | R | 83.1 | Confident | 87.7 | Confident | 158 Ų | 158 | 65 Ų | 65 | 60% | 0.596 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -72 | -22.3 | 176.6 | -52.6 | -168.3 | 172.5 | -172.1 | -4.1 | 112.7 | E168 E169 S170 | E168-R172 WeakPolarHBondContact O-CG 3.18Å; E168-R172 PolarHBondContact O-NE 2.87Å; E169-R172 WeakPolarHBondContact O-CB 3.34Å; E169-R172 WeakPolarHBondContact O-CG 3.44Å; E169-R172 PolarHBondContact O-N 3.37Å; E169-R172 VanDerWaalsContact O-N 3.13Å; S170-R172 PolarHBondContact O-N 2.99Å |
| 173 | H | 83.6 | Confident | 87.8 | Confident | 115 Ų | 115 | 68.8 Ų | 68.8 | 53% | 0.532 | 36% | 0.364 | S | S | . | . | trans | -128.6 | 100.5 | -176.4 | -61.3 | -75.2 | 0 | 0 | 0 | 111.3 | S170 S171 V175 Q176 | S170-H173 PolarHBondContact O-N 3.02Å; S171-H173 VanDerWaalsContact C-N 3.27Å; S171-H173 PolarHBondContact O-N 3.02Å; H173-V175 PolarHBondContact O-N 3.39Å; H173-Q176 HydrophobicContact CB-CG 4.05Å; H173-Q176 WeakPolarHBondContact O-CB 3.13Å; H173-Q176 PolarHBondContact O-N 3.4Å | ||
| 174 | C | 87 | Confident | 87.8 | Confident | 48 Ų | 48 | 71.4 Ų | 71.4 | 32% | 0.324 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -29.3 | -177.1 | -59.9 | 0 | 0 | 0 | 0 | 115.2 | C94 Q176 L177 | C94-C174 WeakPolarHBondContact CA-SG 3.35Å; C94-C174 HydrophobicContact CB-CB 3.59Å; C94-C174 WeakPolarHBondContact CB-SG 3.42Å; C94-C174 WeakPolarHBondContact SG-CA 3.41Å; C94-C174 WeakPolarHBondContact SG-CB 3.44Å; C94-C174 CovalentContact SG-SG 2.03Å; C94-C174 PolarHBondContact SG-SG 3.38Å; C174-Q176 VanDerWaalsContact C-N 3.29Å; C174-Q176 PolarHBondContact O-N 2.99Å; C174-L177 PolarHBondContact O-N 2.9Å |
| 175 | V | 86.1 | Confident | 87.9 | Confident | 75 Ų | 75 | 71.2 Ų | 71.2 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -31.8 | 178.1 | 176.9 | 0 | 0 | 0 | 0 | 111.9 | H173 L177 K178 Q183 | H173-V175 PolarHBondContact O-N 3.39Å; V175-L177 VanDerWaalsContact C-N 3.26Å; V175-L177 PolarHBondContact O-N 3.48Å; V175-K178 PolarHBondContact O-N 3.42Å; V175-Q183 HydrophobicContact CG1-CG 4.14Å; V175-Q183 PolarHBondContact O-NE2 3.2Å |
| 176 | Q | 86.8 | Confident | 88 | Confident | 92 Ų | 92 | 68.7 Ų | 68.7 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -25.4 | 178.4 | -68.1 | 177.1 | -29.7 | 0 | 0 | 112.2 | K164 H173 C174 K178 | K164-Q176 WeakPolarHBondContact CD-O 3.11Å; H173-Q176 HydrophobicContact CB-CG 4.05Å; H173-Q176 WeakPolarHBondContact O-CB 3.13Å; H173-Q176 PolarHBondContact O-N 3.4Å; C174-Q176 VanDerWaalsContact C-N 3.29Å; C174-Q176 PolarHBondContact O-N 2.99Å; Q176-K178 VanDerWaalsContact C-N 3.28Å; Q176-K178 PolarHBondContact O-N 2.9Å |
| 177 | L | 88.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -8.6 | 175.3 | -64.3 | 110.1 | 0 | 0 | 0 | 114.2 | V91 C94 T162 S163 K164 A166 S170 C174 V175 | V91-L177 HydrophobicContact CB-CD2 4.44Å; V91-L177 HydrophobicContact CG1-CD2 4.18Å; V91-L177 HydrophobicContact CG2-CD2 3.81Å; C94-L177 HydrophobicContact CB-CD1 4.36Å; T162-L177 CarbonylContact C-O 3.53Å; T162-L177 VanDerWaalsContact C-O 3.29Å; T162-L177 WeakPolarHBondContact CA-O 3.42Å; T162-L177 HydrophobicContact CG2-CB 3.61Å; S163-L177 PolarHBondContact N-O 3.42Å; K164-L177 WeakPolarHBondContact CB-O 3.5Å; K164-L177 PolarHBondContact N-O 3.48Å; K164-L177 VanDerWaalsContact N-O 3.13Å; A166-L177 HydrophobicContact CB-CD2 3.54Å; S170-L177 WeakPolarHBondContact O-CD1 3.25Å; C174-L177 PolarHBondContact O-N 2.9Å; V175-L177 VanDerWaalsContact C-N 3.26Å; V175-L177 PolarHBondContact O-N 3.48Å |
| 178 | K | 89.8 | Confident | 88 | Confident | 6 Ų | 6 | 73.2 Ų | 73.2 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -88.4 | 141.3 | -178.8 | -68.4 | -178.7 | -178.8 | -68.3 | 0 | 111.7 | N158 L161 T162 K164 V175 Q176 Q183 H186 | N158-K178 PolarHBondContact O-NZ 3.21Å; N158-K178 PolarHBondContact OD1-NZ 2.97Å; L161-K178 WeakPolarHBondContact O-CA 3.25Å; T162-K178 HydrophobicContact CG2-CG 4.13Å; T162-K178 WeakPolarHBondContact OG1-CG 3.43Å; T162-K178 PolarHBondContact OG1-NZ 3.42Å; K164-K178 WeakPolarHBondContact CD-O 3.49Å; K164-K178 WeakPolarHBondContact CE-O 3.29Å; K164-K178 PolarHBondContact NZ-O 3.45Å; V175-K178 PolarHBondContact O-N 3.42Å; Q176-K178 VanDerWaalsContact C-N 3.28Å; Q176-K178 PolarHBondContact O-N 2.9Å; K178-Q183 HydrophobicContact CB-CG 3.84Å; K178-H186 HydrophobicContact CD-CB 3.93Å |
| 179 | T | 92.6 | Very high | 88.2 | Confident | 30 Ų | 30 | 69.8 Ų | 69.8 | 18% | 0.184 | 35% | 0.347 | C | S | . | . | trans | -63.2 | 162.7 | 166.3 | 64.1 | 0 | 0 | 0 | 0 | 110.4 | L161 S163 L181 G182 Q183 | L161-T179 PolarHBondContact O-N 3.49Å; L161-T179 PolarHBondContact O-OG1 2.86Å; S163-T179 WeakPolarHBondContact OG-CG2 3.44Å; T179-L181 VanDerWaalsContact C-N 3.26Å; T179-L181 PolarHBondContact O-N 2.88Å; T179-G182 CarbonylContact O-C 3.59Å; T179-G182 WeakPolarHBondContact O-CA 3.33Å; T179-G182 PolarHBondContact O-N 3.5Å; T179-G182 PolarHBondContact OG1-N 3.01Å; T179-Q183 PolarHBondContact O-N 3.39Å | ||
| 180 | P | 91 | Very high | 88.4 | Confident | 95 Ų | 95 | 63.5 Ų | 63.5 | 62% | 0.617 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -53.5 | -43.7 | 175.5 | -27.1 | 35.8 | 0 | 0 | 0 | 112.7 | G182 Q183 Q184 | P180-G182 VanDerWaalsContact C-N 3.34Å; P180-G182 PolarHBondContact O-N 3.45Å; P180-Q183 PolarHBondContact O-N 2.86Å; P180-Q184 PolarHBondContact O-N 3.17Å; P180-Q184 VanDerWaalsContact O-N 3.14Å |
| 181 | L | 91.8 | Very high | 88.6 | Confident | 104 Ų | 104 | 67.5 Ų | 67.5 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | 173.4 | -173.8 | 64.8 | 0 | 0 | 0 | 111.8 | L161 T179 Q183 Q184 W185 | L161-L181 HydrophobicContact CD1-CD2 4.42Å; L161-L181 HydrophobicContact CD1-CG 4.18Å; L161-L181 HydrophobicContact CD2-CB 4.43Å; L161-L181 HydrophobicContact CD2-CD2 4.02Å; L161-L181 HydrophobicContact CD2-CG 4.36Å; T179-L181 VanDerWaalsContact C-N 3.26Å; T179-L181 PolarHBondContact O-N 2.88Å; L181-Q183 VanDerWaalsContact C-N 3.33Å; L181-Q183 PolarHBondContact O-N 3.17Å; L181-Q184 PolarHBondContact O-N 2.95Å; L181-W185 WeakPolarHBondContact O-CB 3.36Å; L181-W185 PolarHBondContact O-N 2.88Å |
| 182 | G | 90.6 | Very high | 89 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.5 | -36.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L161 T179 P180 H186 | L161-G182 VanDerWaalsContact CB-CA 3.43Å; T179-G182 CarbonylContact O-C 3.59Å; T179-G182 WeakPolarHBondContact O-CA 3.33Å; T179-G182 PolarHBondContact O-N 3.5Å; T179-G182 PolarHBondContact OG1-N 3.01Å; P180-G182 VanDerWaalsContact C-N 3.34Å; P180-G182 PolarHBondContact O-N 3.45Å; G182-H186 WeakPolarHBondContact O-CB 3.44Å; G182-H186 PolarHBondContact O-N 3.44Å |
| 183 | Q | 89.4 | Confident | 89.4 | Confident | 82 Ų | 82 | 64.1 Ų | 64.1 | 38% | 0.383 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.8 | -42.8 | 175.2 | -65.8 | -179.5 | 11 | 0 | 0 | 111.3 | V175 K178 T179 P180 L181 H186 K187 | V175-Q183 HydrophobicContact CG1-CG 4.14Å; V175-Q183 PolarHBondContact O-NE2 3.2Å; K178-Q183 HydrophobicContact CB-CG 3.84Å; T179-Q183 PolarHBondContact O-N 3.39Å; P180-Q183 PolarHBondContact O-N 2.86Å; L181-Q183 VanDerWaalsContact C-N 3.33Å; L181-Q183 PolarHBondContact O-N 3.17Å; Q183-H186 PolarHBondContact O-N 2.85Å; Q183-K187 WeakPolarHBondContact O-CB 3.42Å; Q183-K187 PolarHBondContact O-N 2.91Å |
| 184 | Q | 90.6 | Very high | 89.8 | Confident | 128 Ų | 128 | 59.4 Ų | 59.4 | 60% | 0.598 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62 | -47.6 | 174.1 | -69.6 | 179.9 | -20.2 | 0 | 0 | 111.4 | P180 L181 H186 K187 V188 | P180-Q184 PolarHBondContact O-N 3.17Å; P180-Q184 VanDerWaalsContact O-N 3.14Å; L181-Q184 PolarHBondContact O-N 2.95Å; Q184-H186 VanDerWaalsContact C-N 3.35Å; Q184-H186 PolarHBondContact O-N 3.4Å; Q184-K187 WeakPolarHBondContact O-CB 3.27Å; Q184-K187 PolarHBondContact O-N 2.88Å; Q184-V188 WeakPolarHBondContact O-CG2 3.43Å; Q184-V188 PolarHBondContact O-N 2.96Å |
| 185 | W | 90.5 | Very high | 90.1 | Very high | 74 Ų | 74 | 59.9 Ų | 59.9 | 28% | 0.28 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 175.3 | -179.9 | -96.5 | 0 | 0 | 0 | 112 | L153 P157 N158 L161 L181 K187 V188 S189 | L153-W185 WeakPolarHBondContact O-CZ2 3.34Å; P157-W185 HydrophobicContact CB-CD2 4Å; P157-W185 HydrophobicContact CB-CG 4.19Å; P157-W185 HydrophobicContact CB-CZ2 4.11Å; P157-W185 HydrophobicContact CG-CD2 4.48Å; P157-W185 HydrophobicContact CG-CH2 4.29Å; P157-W185 HydrophobicContact CG-CZ2 3.7Å; N158-W185 PolarHBondContact ND2-NE1 3.5Å; L161-W185 HydrophobicContact CD1-CB 3.99Å; L161-W185 HydrophobicContact CD1-CG 4.31Å; L181-W185 WeakPolarHBondContact O-CB 3.36Å; L181-W185 PolarHBondContact O-N 2.88Å; W185-K187 VanDerWaalsContact C-N 3.29Å; W185-K187 PolarHBondContact O-N 3.34Å; W185-V188 PolarHBondContact O-N 3.4Å; W185-S189 WeakPolarHBondContact O-CB 3.37Å; W185-S189 PolarHBondContact O-N 3.33Å; W185-S189 PolarHBondContact O-OG 3.28Å |
| 186 | H | 88.8 | Confident | 90.6 | Very high | 66 Ų | 66 | 58 Ų | 58 | 31% | 0.306 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 176.6 | -177.3 | 70.6 | 0 | 0 | 0 | 111.6 | K178 G182 Q183 Q184 S189 S190 | K178-H186 HydrophobicContact CD-CB 3.93Å; G182-H186 WeakPolarHBondContact O-CB 3.44Å; G182-H186 PolarHBondContact O-N 3.44Å; Q183-H186 PolarHBondContact O-N 2.85Å; Q184-H186 VanDerWaalsContact C-N 3.35Å; Q184-H186 PolarHBondContact O-N 3.4Å; H186-S189 WeakPolarHBondContact CA-OG 3.39Å; H186-S189 PolarHBondContact O-OG 3.48Å; H186-S190 WeakPolarHBondContact O-CB 3.11Å; H186-S190 PolarHBondContact O-N 3.42Å; H186-S190 PolarHBondContact O-OG 3.41Å |
| 187 | K | 87.6 | Confident | 91 | Very high | 114 Ų | 114 | 53.6 Ų | 53.6 | 50% | 0.496 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.6 | -52.1 | 174.3 | -173.9 | 177.9 | -179.6 | 179.7 | 0 | 111.1 | Q183 Q184 W185 S190 Y191 | Q183-K187 WeakPolarHBondContact O-CB 3.42Å; Q183-K187 PolarHBondContact O-N 2.91Å; Q184-K187 WeakPolarHBondContact O-CB 3.27Å; Q184-K187 PolarHBondContact O-N 2.88Å; W185-K187 VanDerWaalsContact C-N 3.29Å; W185-K187 PolarHBondContact O-N 3.34Å; K187-S190 WeakPolarHBondContact O-CB 3.43Å; K187-S190 PolarHBondContact O-N 2.85Å; K187-Y191 HydrophobicContact CD-CE2 4.29Å; K187-Y191 HydrophobicContact CG-CD2 3.87Å; K187-Y191 HydrophobicContact CG-CE2 3.59Å; K187-Y191 WeakPolarHBondContact O-CD2 3.29Å; K187-Y191 PolarHBondContact O-N 2.9Å |
| 188 | V | 90.1 | Very high | 91.2 | Very high | 93 Ų | 93 | 59.3 Ų | 59.3 | 56% | 0.564 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.1 | -51.8 | 180 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | Q184 W185 S190 Y191 F192 | Q184-V188 WeakPolarHBondContact O-CG2 3.43Å; Q184-V188 PolarHBondContact O-N 2.96Å; W185-V188 PolarHBondContact O-N 3.4Å; V188-S190 VanDerWaalsContact C-N 3.26Å; V188-S190 PolarHBondContact O-N 2.93Å; V188-Y191 PolarHBondContact O-N 3.45Å; V188-F192 WeakPolarHBondContact O-CB 3.43Å; V188-F192 PolarHBondContact O-N 2.92Å |
| 189 | S | 90 | Very high | 91.5 | Very high | 20 Ų | 20 | 61.3 Ų | 61.3 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.6 | -35.4 | 177.6 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | N158 W185 H186 F192 G193 | N158-S189 PolarHBondContact ND2-OG 2.76Å; W185-S189 WeakPolarHBondContact O-CB 3.37Å; W185-S189 PolarHBondContact O-N 3.33Å; W185-S189 PolarHBondContact O-OG 3.28Å; H186-S189 WeakPolarHBondContact CA-OG 3.39Å; H186-S189 PolarHBondContact O-OG 3.48Å; S189-F192 PolarHBondContact O-N 3.27Å; S189-G193 PolarHBondContact O-N 3.05Å |
| 190 | S | 88.5 | Confident | 91.7 | Very high | 14 Ų | 14 | 60.4 Ų | 60.4 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 174.6 | -72 | 0 | 0 | 0 | 0 | 113.2 | H186 K187 V188 V194 R255 | H186-S190 WeakPolarHBondContact O-CB 3.11Å; H186-S190 PolarHBondContact O-N 3.42Å; H186-S190 PolarHBondContact O-OG 3.41Å; K187-S190 WeakPolarHBondContact O-CB 3.43Å; K187-S190 PolarHBondContact O-N 2.85Å; V188-S190 VanDerWaalsContact C-N 3.26Å; V188-S190 PolarHBondContact O-N 2.93Å; S190-V194 WeakPolarHBondContact O-CG2 3.48Å; S190-V194 PolarHBondContact O-N 3.03Å; S190-R255 VanDerWaalsContact CB-NH2 3.27Å; S190-R255 PolarHBondContact O-NH1 3.28Å; S190-R255 PolarHBondContact OG-NH2 2.98Å |
| 191 | Y | 89.9 | Confident | 91.9 | Very high | 101 Ų | 101 | 57 Ų | 57 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.6 | -39.8 | 175.5 | -79.6 | -69.2 | 0 | 0 | 0 | 111.7 | K187 V188 G193 V194 A195 | K187-Y191 HydrophobicContact CD-CE2 4.29Å; K187-Y191 HydrophobicContact CG-CD2 3.87Å; K187-Y191 HydrophobicContact CG-CE2 3.59Å; K187-Y191 WeakPolarHBondContact O-CD2 3.29Å; K187-Y191 PolarHBondContact O-N 2.9Å; V188-Y191 PolarHBondContact O-N 3.45Å; Y191-G193 PolarHBondContact O-N 3.44Å; Y191-V194 PolarHBondContact O-N 3.37Å; Y191-A195 WeakPolarHBondContact O-CB 3.25Å; Y191-A195 PolarHBondContact O-N 3.33Å |
| 192 | F | 92.3 | Very high | 92 | Very high | 89 Ų | 89 | 57.9 Ų | 57.9 | 39% | 0.39 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 175.5 | 177.9 | -103.5 | 0 | 0 | 0 | 111.9 | L150 V188 S189 V194 A195 L196 | L150-F192 HydrophobicContact CD1-CE1 3.63Å; L150-F192 HydrophobicContact CD1-CZ 3.8Å; L150-F192 HydrophobicContact CD2-CE1 3.94Å; L150-F192 HydrophobicContact CD2-CZ 4.07Å; L150-F192 HydrophobicContact CG-CE1 4.04Å; L150-F192 HydrophobicContact CG-CZ 4.43Å; V188-F192 WeakPolarHBondContact O-CB 3.43Å; V188-F192 PolarHBondContact O-N 2.92Å; S189-F192 PolarHBondContact O-N 3.27Å; F192-V194 PolarHBondContact O-N 3.38Å; F192-A195 WeakPolarHBondContact O-CB 3.39Å; F192-A195 PolarHBondContact O-N 3.21Å; F192-L196 HydrophobicContact CD1-CD1 3.84Å; F192-L196 HydrophobicContact CD1-CG 4.39Å; F192-L196 HydrophobicContact CE1-CD1 3.33Å; F192-L196 HydrophobicContact CE1-CD2 4.48Å; F192-L196 HydrophobicContact CE1-CG 3.95Å; F192-L196 HydrophobicContact CE2-CG 4.37Å; F192-L196 HydrophobicContact CZ-CD1 3.76Å; F192-L196 HydrophobicContact CZ-CD2 4.05Å; F192-L196 HydrophobicContact CZ-CG 3.93Å; F192-L196 WeakPolarHBondContact O-CG 3.43Å; F192-L196 PolarHBondContact O-N 3.46Å |
| 193 | G | 92.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y106 S189 Y191 A195 L196 F197 | Y106-G193 VanDerWaalsContact CE1-C 3.42Å; Y106-G193 WeakPolarHBondContact CE1-O 3.14Å; Y106-G193 VanDerWaalsContact CZ-CA 3.47Å; S189-G193 PolarHBondContact O-N 3.05Å; Y191-G193 PolarHBondContact O-N 3.44Å; G193-A195 PolarHBondContact O-N 3.35Å; G193-L196 PolarHBondContact O-N 2.96Å; G193-F197 PolarHBondContact O-N 3.48Å |
| 194 | V | 91.9 | Very high | 92.4 | Very high | 16 Ų | 16 | 56.4 Ų | 56.4 | 10% | 0.097 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.8 | -41 | 174.8 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | S190 Y191 F192 F197 W198 V256 | S190-V194 WeakPolarHBondContact O-CG2 3.48Å; S190-V194 PolarHBondContact O-N 3.03Å; Y191-V194 PolarHBondContact O-N 3.37Å; F192-V194 PolarHBondContact O-N 3.38Å; V194-F197 WeakPolarHBondContact O-CB 3.04Å; V194-F197 PolarHBondContact O-N 3.47Å; V194-W198 PolarHBondContact O-N 2.86Å; V194-W198 VanDerWaalsContact O-N 3.08Å; V194-V256 HydrophobicContact CG1-CG2 3.73Å; V194-V256 HydrophobicContact CG2-CG2 4.13Å |
| 195 | A | 93.8 | Very high | 92.4 | Very high | 57 Ų | 57 | 52.7 Ų | 52.7 | 47% | 0.471 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y191 F192 G193 F197 W198 A199 | Y191-A195 WeakPolarHBondContact O-CB 3.25Å; Y191-A195 PolarHBondContact O-N 3.33Å; F192-A195 WeakPolarHBondContact O-CB 3.39Å; F192-A195 PolarHBondContact O-N 3.21Å; G193-A195 PolarHBondContact O-N 3.35Å; A195-F197 VanDerWaalsContact C-N 3.32Å; A195-F197 PolarHBondContact O-N 3.36Å; A195-W198 PolarHBondContact O-N 3.45Å; A195-A199 WeakPolarHBondContact O-CB 3.3Å; A195-A199 PolarHBondContact O-N 3.4Å |
| 196 | L | 94.8 | Very high | 92.5 | Very high | 36 Ų | 36 | 54.4 Ų | 54.4 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.9 | -41 | 174.1 | -75.6 | 172.2 | 0 | 0 | 0 | 112.5 | I110 L150 F192 G193 A199 T200 | I110-L196 HydrophobicContact CD1-CD1 4.22Å; L150-L196 HydrophobicContact CD2-CD1 3.9Å; L150-L196 HydrophobicContact CD2-CD2 4.5Å; F192-L196 HydrophobicContact CD1-CD1 3.84Å; F192-L196 HydrophobicContact CD1-CG 4.39Å; F192-L196 HydrophobicContact CE1-CD1 3.33Å; F192-L196 HydrophobicContact CE1-CD2 4.48Å; F192-L196 HydrophobicContact CE1-CG 3.95Å; F192-L196 HydrophobicContact CE2-CG 4.37Å; F192-L196 HydrophobicContact CZ-CD1 3.76Å; F192-L196 HydrophobicContact CZ-CD2 4.05Å; F192-L196 HydrophobicContact CZ-CG 3.93Å; F192-L196 WeakPolarHBondContact O-CG 3.43Å; F192-L196 PolarHBondContact O-N 3.46Å; G193-L196 PolarHBondContact O-N 2.96Å; L196-A199 PolarHBondContact O-N 3.25Å; L196-T200 WeakPolarHBondContact O-CB 3.43Å; L196-T200 PolarHBondContact O-N 2.97Å; L196-T200 PolarHBondContact O-OG1 2.92Å |
| 197 | F | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.2 | -50.2 | 175.6 | 167.2 | -97.3 | 0 | 0 | 0 | 111.3 | I109 G193 V194 A195 A199 T200 V201 F244 F248 V249 H252 | I109-F197 HydrophobicContact CD1-CD2 4.28Å; G193-F197 PolarHBondContact O-N 3.48Å; V194-F197 WeakPolarHBondContact O-CB 3.04Å; V194-F197 PolarHBondContact O-N 3.47Å; A195-F197 VanDerWaalsContact C-N 3.32Å; A195-F197 PolarHBondContact O-N 3.36Å; F197-A199 PolarHBondContact O-N 3.49Å; F197-T200 WeakPolarHBondContact O-CB 3.47Å; F197-T200 PolarHBondContact O-N 3.34Å; F197-T200 VanDerWaalsContact O-N 3.11Å; F197-V201 HydrophobicContact CD1-CG2 4.33Å; F197-V201 HydrophobicContact CE1-CG2 3.81Å; F197-V201 HydrophobicContact CE2-CG2 4.01Å; F197-V201 HydrophobicContact CZ-CG2 3.62Å; F197-V201 WeakPolarHBondContact O-CG2 3.34Å; F197-V201 PolarHBondContact O-N 3.4Å; F197-F244 AromaticContact CD2-CZ 3.9Å; F197-F244 HydrophobicContact CD2-CZ 3.9Å; F197-F244 AromaticContact CE2-CE1 3.73Å; F197-F244 HydrophobicContact CE2-CE1 3.73Å; F197-F244 AromaticContact CE2-CZ 3.55Å; F197-F244 HydrophobicContact CE2-CZ 3.55Å; F197-F244 HydrophobicContact CZ-CE1 4.3Å; F197-F244 HydrophobicContact CZ-CZ 4.46Å; F197-F248 HydrophobicContact CD2-CB 4.2Å; F197-F248 HydrophobicContact CE2-CB 3.65Å; F197-V249 HydrophobicContact CE2-CG2 4.34Å; F197-V249 HydrophobicContact CZ-CB 4.23Å; F197-V249 HydrophobicContact CZ-CG2 3.75Å; F197-H252 HydrophobicContact CD1-CB 3.54Å; F197-H252 AromaticContact CD1-CD2 3.8Å; F197-H252 AromaticContact CD1-CG 3.55Å; F197-H252 HydrophobicContact CD2-CB 4.38Å; F197-H252 AromaticContact CD2-CD2 3.96Å; F197-H252 AromaticContact CD2-CE1 3.63Å; F197-H252 AromaticContact CD2-CG 3.68Å; F197-H252 AromaticContact CD2-ND1 3.46Å; F197-H252 WeakPolarHBondContact CD2-ND1 3.45Å; F197-H252 AromaticContact CD2-NE2 3.96Å; F197-H252 HydrophobicContact CE1-CB 3.52Å; F197-H252 AromaticContact CE1-CG 3.89Å; F197-H252 HydrophobicContact CE2-CB 4.36Å; F197-H252 AromaticContact CE2-ND1 3.68Å; F197-H252 HydrophobicContact CG-CB 3.99Å; F197-H252 AromaticContact CG-CD2 3.45Å; F197-H252 VanDerWaalsContact CG-CD2 3.45Å; F197-H252 WeakPolarHBondContact CG-CD2 3.4Å; F197-H252 AromaticContact CG-CE1 3.92Å; F197-H252 AromaticContact CG-CG 3.43Å; F197-H252 VanDerWaalsContact CG-CG 3.43Å; F197-H252 AromaticContact CG-ND1 3.73Å; F197-H252 AromaticContact CG-NE2 3.79Å; F197-H252 HydrophobicContact CZ-CB 3.95Å |
| 198 | W | 94.3 | Very high | 92.6 | Very high | 119 Ų | 119 | 46.6 Ų | 46.6 | 45% | 0.451 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 178.1 | -72.5 | 113.6 | 0 | 0 | 0 | 112.8 | V194 A195 T200 V201 L202 | V194-W198 PolarHBondContact O-N 2.86Å; V194-W198 VanDerWaalsContact O-N 3.08Å; A195-W198 PolarHBondContact O-N 3.45Å; W198-T200 VanDerWaalsContact C-N 3.27Å; W198-T200 PolarHBondContact O-N 2.9Å; W198-V201 HydrophobicContact CE3-CB 4.39Å; W198-V201 HydrophobicContact CE3-CG1 4.44Å; W198-V201 HydrophobicContact CE3-CG2 4.34Å; W198-V201 WeakPolarHBondContact O-CB 3.37Å; W198-V201 PolarHBondContact O-N 3.26Å; W198-L202 WeakPolarHBondContact O-CG 3.09Å; W198-L202 PolarHBondContact O-N 2.79Å |
| 199 | A | 95.9 | Very high | 92.5 | Very high | 48 Ų | 48 | 46 Ų | 46 | 40% | 0.397 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.9 | -41.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A195 L196 F197 L202 V203 | A195-A199 WeakPolarHBondContact O-CB 3.3Å; A195-A199 PolarHBondContact O-N 3.4Å; L196-A199 PolarHBondContact O-N 3.25Å; F197-A199 PolarHBondContact O-N 3.49Å; A199-L202 PolarHBondContact O-N 3.02Å; A199-V203 WeakPolarHBondContact O-CG2 3.25Å; A199-V203 PolarHBondContact O-N 3.1Å |
| 200 | T | 95.7 | Very high | 92.4 | Very high | 12 Ų | 12 | 46.3 Ų | 46.3 | 7% | 0.074 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.5 | -43 | 176.1 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | I109 L196 F197 W198 L202 V203 L204 F244 | I109-T200 HydrophobicContact CG2-CG2 3.86Å; I109-T200 WeakPolarHBondContact CG2-OG1 3.33Å; I109-T200 WeakPolarHBondContact O-CG2 3.29Å; L196-T200 WeakPolarHBondContact O-CB 3.43Å; L196-T200 PolarHBondContact O-N 2.97Å; L196-T200 PolarHBondContact O-OG1 2.92Å; F197-T200 WeakPolarHBondContact O-CB 3.47Å; F197-T200 PolarHBondContact O-N 3.34Å; F197-T200 VanDerWaalsContact O-N 3.11Å; W198-T200 VanDerWaalsContact C-N 3.27Å; W198-T200 PolarHBondContact O-N 2.9Å; T200-L202 VanDerWaalsContact C-N 3.29Å; T200-L202 PolarHBondContact O-N 3.47Å; T200-V203 PolarHBondContact O-N 2.89Å; T200-L204 HydrophobicContact CG2-CD1 4Å; T200-L204 HydrophobicContact CG2-CG 4.33Å; T200-L204 WeakPolarHBondContact O-CB 3.48Å; T200-L204 VanDerWaalsContact O-CG 3.25Å; T200-L204 WeakPolarHBondContact O-CG 3.3Å; T200-L204 PolarHBondContact O-N 2.98Å; T200-F244 HydrophobicContact CG2-CE2 3.76Å; T200-F244 HydrophobicContact CG2-CZ 3.98Å |
| 201 | V | 94.9 | Very high | 92.2 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 13% | 0.133 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.3 | -45.6 | 173.4 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | F197 W198 L204 A205 F244 | F197-V201 HydrophobicContact CD1-CG2 4.33Å; F197-V201 HydrophobicContact CE1-CG2 3.81Å; F197-V201 HydrophobicContact CE2-CG2 4.01Å; F197-V201 HydrophobicContact CZ-CG2 3.62Å; F197-V201 WeakPolarHBondContact O-CG2 3.34Å; F197-V201 PolarHBondContact O-N 3.4Å; W198-V201 HydrophobicContact CE3-CB 4.39Å; W198-V201 HydrophobicContact CE3-CG1 4.44Å; W198-V201 HydrophobicContact CE3-CG2 4.34Å; W198-V201 WeakPolarHBondContact O-CB 3.37Å; W198-V201 PolarHBondContact O-N 3.26Å; V201-L204 PolarHBondContact O-N 2.78Å; V201-A205 WeakPolarHBondContact O-CB 3.49Å; V201-A205 PolarHBondContact O-N 3.3Å; V201-F244 HydrophobicContact CG2-CE1 3.68Å; V201-F244 HydrophobicContact CG2-CZ 4.01Å |
| 202 | L | 95.2 | Very high | 92 | Very high | 124 Ų | 124 | 43.8 Ų | 43.8 | 65% | 0.649 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.8 | -43 | 178.4 | -68.3 | 173.1 | 0 | 0 | 0 | 111.9 | W198 A199 T200 A205 F206 | W198-L202 WeakPolarHBondContact O-CG 3.09Å; W198-L202 PolarHBondContact O-N 2.79Å; A199-L202 PolarHBondContact O-N 3.02Å; T200-L202 VanDerWaalsContact C-N 3.29Å; T200-L202 PolarHBondContact O-N 3.47Å; L202-A205 PolarHBondContact O-N 3.46Å; L202-F206 WeakPolarHBondContact O-CB 3.37Å; L202-F206 PolarHBondContact O-N 3.37Å |
| 203 | V | 94.6 | Very high | 91.7 | Very high | 51 Ų | 51 | 45.4 Ų | 45.4 | 31% | 0.309 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 175.1 | 171 | 0 | 0 | 0 | 0 | 110.9 | L117 A199 T200 F206 C207 | L117-V203 HydrophobicContact CB-CG1 4.44Å; A199-V203 WeakPolarHBondContact O-CG2 3.25Å; A199-V203 PolarHBondContact O-N 3.1Å; T200-V203 PolarHBondContact O-N 2.89Å; V203-F206 PolarHBondContact O-N 3.08Å; V203-C207 VanDerWaalsContact O-CB 3.3Å; V203-C207 WeakPolarHBondContact O-CB 3.43Å; V203-C207 PolarHBondContact O-N 2.98Å; V203-C207 PolarHBondContact O-SG 2.92Å |
| 204 | L | 92.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.8 | -52 | 177 | -70 | 166 | 0 | 0 | 0 | 110.7 | S116 T200 V201 F206 C207 Y208 L240 F244 | S116-L204 WeakPolarHBondContact OG-CD2 2.93Å; T200-L204 HydrophobicContact CG2-CD1 4Å; T200-L204 HydrophobicContact CG2-CG 4.33Å; T200-L204 WeakPolarHBondContact O-CB 3.48Å; T200-L204 VanDerWaalsContact O-CG 3.25Å; T200-L204 WeakPolarHBondContact O-CG 3.3Å; T200-L204 PolarHBondContact O-N 2.98Å; V201-L204 PolarHBondContact O-N 2.78Å; L204-F206 VanDerWaalsContact C-N 3.33Å; L204-F206 PolarHBondContact O-N 2.94Å; L204-C207 PolarHBondContact O-N 2.95Å; L204-Y208 HydrophobicContact CB-CD2 4.23Å; L204-Y208 HydrophobicContact CB-CE2 4.39Å; L204-Y208 HydrophobicContact CD2-CD2 4.23Å; L204-Y208 HydrophobicContact CD2-CE2 3.56Å; L204-Y208 WeakPolarHBondContact O-CB 3.37Å; L204-Y208 WeakPolarHBondContact O-CD2 3.23Å; L204-Y208 PolarHBondContact O-N 3.26Å; L204-L240 HydrophobicContact CD2-CD2 3.86Å; L204-F244 HydrophobicContact CD1-CB 4.37Å; L204-F244 HydrophobicContact CD1-CD1 3.45Å; L204-F244 VanDerWaalsContact CD1-CD1 3.45Å; L204-F244 HydrophobicContact CD1-CD2 3.59Å; L204-F244 HydrophobicContact CD1-CE1 3.49Å; L204-F244 VanDerWaalsContact CD1-CE1 3.49Å; L204-F244 HydrophobicContact CD1-CE2 3.6Å; L204-F244 HydrophobicContact CD1-CG 3.51Å; L204-F244 HydrophobicContact CD1-CZ 3.55Å |
| 205 | A | 92.1 | Very high | 90.6 | Very high | 50 Ų | 50 | 49 Ų | 49 | 41% | 0.413 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.7 | -46.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V201 L202 S209 | V201-A205 WeakPolarHBondContact O-CB 3.49Å; V201-A205 PolarHBondContact O-N 3.3Å; L202-A205 PolarHBondContact O-N 3.46Å; A205-S209 WeakPolarHBondContact O-CB 3.31Å; A205-S209 PolarHBondContact O-N 3.05Å; A205-S209 PolarHBondContact O-OG 3.39Å |
| 206 | F | 92.5 | Very high | 89.9 | Confident | 110 Ų | 110 | 53.6 Ų | 53.6 | 48% | 0.482 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.1 | -51.3 | 176.4 | 172.2 | -99.3 | 0 | 0 | 0 | 112.2 | Y120 L202 V203 L204 Y208 S210 | Y120-F206 HydrophobicContact CD1-CE1 4.38Å; Y120-F206 AromaticContact CE1-CE1 3.88Å; Y120-F206 HydrophobicContact CE1-CE1 3.88Å; Y120-F206 HydrophobicContact CE1-CZ 4.46Å; Y120-F206 HydrophobicContact CE2-CE1 4.41Å; Y120-F206 AromaticContact CZ-CE1 3.89Å; L202-F206 WeakPolarHBondContact O-CB 3.37Å; L202-F206 PolarHBondContact O-N 3.37Å; V203-F206 PolarHBondContact O-N 3.08Å; L204-F206 VanDerWaalsContact C-N 3.33Å; L204-F206 PolarHBondContact O-N 2.94Å; F206-Y208 PolarHBondContact O-N 2.85Å; F206-S210 VanDerWaalsContact O-CB 3.31Å; F206-S210 WeakPolarHBondContact O-CB 3.31Å; F206-S210 PolarHBondContact O-N 2.94Å; F206-S210 PolarHBondContact O-OG 3.43Å |
| 207 | C | 91 | Very high | 89.3 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.9 | -48.4 | -177 | -70.9 | 0 | 0 | 0 | 0 | 111 | Y120 V203 L204 S210 I211 | Y120-C207 HydrophobicContact CG-CB 4.45Å; V203-C207 VanDerWaalsContact O-CB 3.3Å; V203-C207 WeakPolarHBondContact O-CB 3.43Å; V203-C207 PolarHBondContact O-N 2.98Å; V203-C207 PolarHBondContact O-SG 2.92Å; L204-C207 PolarHBondContact O-N 2.95Å; C207-S210 PolarHBondContact O-N 3.14Å; C207-I211 WeakPolarHBondContact O-CB 3.32Å; C207-I211 WeakPolarHBondContact O-CD1 3.3Å; C207-I211 WeakPolarHBondContact O-CG1 3.33Å; C207-I211 PolarHBondContact O-N 2.84Å |
| 208 | Y | 87.5 | Confident | 88.3 | Confident | 16 Ų | 16 | 58 Ų | 58 | 6% | 0.063 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -76.3 | -34.5 | -175.4 | -70.6 | -61.2 | 0 | 0 | 0 | 113.6 | S116 L204 F206 S210 I211 A212 I237 L240 L241 | S116-Y208 WeakPolarHBondContact OG-CE2 3.31Å; S116-Y208 PolarHBondContact OG-OH 3.05Å; L204-Y208 HydrophobicContact CB-CD2 4.23Å; L204-Y208 HydrophobicContact CB-CE2 4.39Å; L204-Y208 HydrophobicContact CD2-CD2 4.23Å; L204-Y208 HydrophobicContact CD2-CE2 3.56Å; L204-Y208 WeakPolarHBondContact O-CB 3.37Å; L204-Y208 WeakPolarHBondContact O-CD2 3.23Å; L204-Y208 PolarHBondContact O-N 3.26Å; F206-Y208 PolarHBondContact O-N 2.85Å; Y208-S210 VanDerWaalsContact C-N 3.3Å; Y208-S210 PolarHBondContact O-N 2.83Å; Y208-I211 HydrophobicContact CD1-CD1 4.03Å; Y208-I211 HydrophobicContact CE1-CD1 4.27Å; Y208-I211 PolarHBondContact O-N 3.32Å; Y208-A212 VanDerWaalsContact O-CB 3.25Å; Y208-A212 WeakPolarHBondContact O-CB 3.47Å; Y208-A212 PolarHBondContact O-N 2.87Å; Y208-I237 HydrophobicContact CD1-CB 4.38Å; Y208-I237 HydrophobicContact CD1-CG2 3.3Å; Y208-I237 HydrophobicContact CE1-CB 3.83Å; Y208-I237 HydrophobicContact CE1-CG1 3.91Å; Y208-I237 HydrophobicContact CE1-CG2 3.19Å; Y208-I237 HydrophobicContact CG-CG2 4.49Å; Y208-L240 HydrophobicContact CE2-CD2 4.26Å; Y208-L240 WeakPolarHBondContact OH-CD2 3.46Å; Y208-L241 HydrophobicContact CD1-CD1 4.03Å; Y208-L241 HydrophobicContact CD1-CG 4.36Å; Y208-L241 HydrophobicContact CD2-CD1 3.77Å; Y208-L241 HydrophobicContact CD2-CD2 3.29Å; Y208-L241 HydrophobicContact CD2-CG 3.5Å; Y208-L241 HydrophobicContact CE1-CD1 4.5Å; Y208-L241 HydrophobicContact CE1-CG 4.45Å; Y208-L241 HydrophobicContact CE2-CD1 4.21Å; Y208-L241 HydrophobicContact CE2-CD2 3.56Å; Y208-L241 HydrophobicContact CE2-CG 3.55Å; Y208-L241 HydrophobicContact CG-CD1 3.63Å; Y208-L241 HydrophobicContact CG-CD2 4.04Å; Y208-L241 HydrophobicContact CG-CG 3.91Å |
| 209 | S | 87.6 | Confident | 87.1 | Confident | 80 Ų | 80 | 59.6 Ų | 59.6 | 56% | 0.559 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.5 | -42.5 | 170.5 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | A205 A212 H213 | A205-S209 WeakPolarHBondContact O-CB 3.31Å; A205-S209 PolarHBondContact O-N 3.05Å; A205-S209 PolarHBondContact O-OG 3.39Å; S209-A212 PolarHBondContact O-N 3.01Å; S209-H213 VanDerWaalsContact O-CB 3.29Å; S209-H213 WeakPolarHBondContact O-CB 3.49Å; S209-H213 PolarHBondContact O-N 3.31Å |
| 210 | S | 87.7 | Confident | 85.8 | Confident | 27 Ų | 27 | 66 Ų | 66 | 19% | 0.189 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 178.2 | -58.1 | 0 | 0 | 0 | 0 | 112.6 | F206 C207 Y208 H213 H214 | F206-S210 VanDerWaalsContact O-CB 3.31Å; F206-S210 WeakPolarHBondContact O-CB 3.31Å; F206-S210 PolarHBondContact O-N 2.94Å; F206-S210 PolarHBondContact O-OG 3.43Å; C207-S210 PolarHBondContact O-N 3.14Å; Y208-S210 VanDerWaalsContact C-N 3.3Å; Y208-S210 PolarHBondContact O-N 2.83Å; S210-H213 PolarHBondContact O-N 3.37Å; S210-H214 WeakPolarHBondContact O-CB 3.48Å; S210-H214 PolarHBondContact O-N 3.43Å |
| 211 | I | 84.8 | Confident | 84.3 | Confident | 4 Ų | 4 | 72.3 Ų | 72.3 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 174.9 | -68.6 | 161.8 | 0 | 0 | 0 | 110.3 | Y120 V123 V124 C207 Y208 H213 H214 F215 I237 | Y120-I211 HydrophobicContact CD2-CG1 4.39Å; V123-I211 HydrophobicContact CB-CG1 4.5Å; V123-I211 HydrophobicContact CG1-CG2 4.21Å; V124-I211 HydrophobicContact CG2-CG1 4.06Å; C207-I211 WeakPolarHBondContact O-CB 3.32Å; C207-I211 WeakPolarHBondContact O-CD1 3.3Å; C207-I211 WeakPolarHBondContact O-CG1 3.33Å; C207-I211 PolarHBondContact O-N 2.84Å; Y208-I211 HydrophobicContact CD1-CD1 4.03Å; Y208-I211 HydrophobicContact CE1-CD1 4.27Å; Y208-I211 PolarHBondContact O-N 3.32Å; I211-H213 VanDerWaalsContact C-N 3.34Å; I211-H213 PolarHBondContact O-N 2.88Å; I211-H214 WeakPolarHBondContact O-CB 3.38Å; I211-H214 PolarHBondContact O-N 3.35Å; I211-F215 HydrophobicContact CG2-CD2 3.53Å; I211-F215 HydrophobicContact CG2-CE2 3.35Å; I211-F215 WeakPolarHBondContact O-CD2 3.4Å; I211-F215 PolarHBondContact O-N 3.15Å; I211-I237 HydrophobicContact CD1-CD1 4.23Å; I211-I237 HydrophobicContact CG2-CD1 3.91Å |
| 212 | A | 84.6 | Confident | 82.8 | Confident | 58 Ų | 58 | 73 Ų | 73 | 48% | 0.479 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.1 | -44 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y208 S209 F215 Y216 | Y208-A212 VanDerWaalsContact O-CB 3.25Å; Y208-A212 WeakPolarHBondContact O-CB 3.47Å; Y208-A212 PolarHBondContact O-N 2.87Å; S209-A212 PolarHBondContact O-N 3.01Å; A212-F215 PolarHBondContact O-N 2.98Å; A212-Y216 WeakPolarHBondContact O-CB 2.95Å; A212-Y216 PolarHBondContact O-N 3.29Å |
| 213 | H | 85.5 | Confident | 80.7 | Confident | 122 Ų | 122 | 77 Ų | 77 | 57% | 0.565 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.5 | -42.6 | 175.2 | 179.1 | -97.6 | 0 | 0 | 0 | 112.2 | S209 S210 I211 F215 Y216 K217 | S209-H213 VanDerWaalsContact O-CB 3.29Å; S209-H213 WeakPolarHBondContact O-CB 3.49Å; S209-H213 PolarHBondContact O-N 3.31Å; S210-H213 PolarHBondContact O-N 3.37Å; I211-H213 VanDerWaalsContact C-N 3.34Å; I211-H213 PolarHBondContact O-N 2.88Å; H213-F215 VanDerWaalsContact C-N 3.35Å; H213-F215 PolarHBondContact O-N 2.84Å; H213-Y216 PolarHBondContact O-N 3.49Å; H213-K217 WeakPolarHBondContact O-CB 3.47Å; H213-K217 PolarHBondContact O-N 2.77Å |
| 214 | H | 82.4 | Confident | 78.7 | Confident | 55 Ų | 55 | 83 Ų | 83 | 26% | 0.255 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 175.3 | -179.2 | -89.5 | 0 | 0 | 0 | 111.5 | V124 S210 I211 K217 S218 | V124-H214 HydrophobicContact CG2-CB 3.94Å; S210-H214 WeakPolarHBondContact O-CB 3.48Å; S210-H214 PolarHBondContact O-N 3.43Å; I211-H214 WeakPolarHBondContact O-CB 3.38Å; I211-H214 PolarHBondContact O-N 3.35Å; H214-K217 PolarHBondContact O-N 2.92Å; H214-S218 VanDerWaalsContact O-CB 3.31Å; H214-S218 WeakPolarHBondContact O-CB 3.42Å; H214-S218 PolarHBondContact O-N 3.29Å |
| 215 | F | 80 | Confident | 76.5 | Confident | 38 Ų | 38 | 89.3 Ų | 89.3 | 17% | 0.167 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 175.2 | -80.5 | -63.6 | 0 | 0 | 0 | 112.3 | V123 I211 A212 H213 K217 S218 Y219 Y230 N234 | V123-F215 HydrophobicContact CG1-CE2 4.13Å; V123-F215 HydrophobicContact CG1-CZ 4.18Å; I211-F215 HydrophobicContact CG2-CD2 3.53Å; I211-F215 HydrophobicContact CG2-CE2 3.35Å; I211-F215 WeakPolarHBondContact O-CD2 3.4Å; I211-F215 PolarHBondContact O-N 3.15Å; A212-F215 PolarHBondContact O-N 2.98Å; H213-F215 VanDerWaalsContact C-N 3.35Å; H213-F215 PolarHBondContact O-N 2.84Å; F215-K217 PolarHBondContact O-N 2.66Å; F215-S218 PolarHBondContact O-N 3.29Å; F215-Y219 WeakPolarHBondContact O-CB 3.49Å; F215-Y219 PolarHBondContact O-N 2.97Å; F215-Y230 HydrophobicContact CD1-CD1 4.46Å; F215-Y230 HydrophobicContact CE1-CD1 4.17Å; F215-N234 VanDerWaalsContact CE2-OD1 3.27Å; F215-N234 WeakPolarHBondContact CE2-OD1 3.12Å; F215-N234 WeakPolarHBondContact CZ-OD1 3.43Å |
| 216 | Y | 80 | Confident | 74.4 | Confident | 154 Ų | 154 | 94.9 Ų | 94.9 | 60% | 0.604 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -60.9 | -44.9 | 176.5 | -179 | -104.1 | 0 | 0 | 0 | 111.7 | A212 H213 S218 Y219 R220 | A212-Y216 WeakPolarHBondContact O-CB 2.95Å; A212-Y216 PolarHBondContact O-N 3.29Å; H213-Y216 PolarHBondContact O-N 3.49Å; Y216-S218 PolarHBondContact O-N 3.29Å; Y216-Y219 PolarHBondContact O-N 3.46Å; Y216-R220 WeakPolarHBondContact O-CB 3.41Å; Y216-R220 PolarHBondContact O-N 3.26Å |
| 217 | K | 80.1 | Confident | 72.3 | Confident | 113 Ų | 113 | 93.1 Ų | 93.1 | 49% | 0.491 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.6 | -36.5 | 175.6 | -174.2 | 179.6 | 178.4 | 178.2 | 0 | 112.5 | H213 H214 F215 R221 | H213-K217 WeakPolarHBondContact O-CB 3.47Å; H213-K217 PolarHBondContact O-N 2.77Å; H214-K217 PolarHBondContact O-N 2.92Å; F215-K217 PolarHBondContact O-N 2.66Å; K217-R221 WeakPolarHBondContact O-CG 3.35Å; K217-R221 PolarHBondContact O-N 2.87Å; K217-R221 PolarHBondContact O-NE 3.23Å |
| 218 | S | 74.6 | Confident | 70.3 | Confident | 16 Ų | 16 | 97.2 Ų | 97.2 | 11% | 0.112 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -70.6 | -47.1 | 176.3 | -164 | 0 | 0 | 0 | 0 | 110.9 | H214 F215 Y216 R220 R221 V222 | H214-S218 VanDerWaalsContact O-CB 3.31Å; H214-S218 WeakPolarHBondContact O-CB 3.42Å; H214-S218 PolarHBondContact O-N 3.29Å; F215-S218 PolarHBondContact O-N 3.29Å; Y216-S218 PolarHBondContact O-N 3.29Å; S218-R220 VanDerWaalsContact C-N 3.32Å; S218-R220 PolarHBondContact O-N 3.33Å; S218-R221 CarbonylContact O-C 3.29Å; S218-R221 WeakPolarHBondContact O-CA 3.32Å; S218-R221 WeakPolarHBondContact O-CB 3.18Å; S218-R221 PolarHBondContact O-N 3.02Å; S218-V222 WeakPolarHBondContact O-CB 3.39Å; S218-V222 VanDerWaalsContact O-CG2 3.29Å; S218-V222 WeakPolarHBondContact O-CG2 3.43Å; S218-V222 PolarHBondContact O-N 3.35Å |
| 219 | Y | 69.7 | Low | 68.4 | Low | 151 Ų | 151 | 102.4 Ų | 102.4 | 59% | 0.592 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.5 | -41.7 | 176.6 | -179.5 | -101.8 | 0 | 0 | 0 | 111.8 | F215 Y216 R221 V222 R223 | F215-Y219 WeakPolarHBondContact O-CB 3.49Å; F215-Y219 PolarHBondContact O-N 2.97Å; Y216-Y219 PolarHBondContact O-N 3.46Å; Y219-R221 VanDerWaalsContact C-N 3.28Å; Y219-R221 PolarHBondContact O-N 2.93Å; Y219-V222 PolarHBondContact O-N 2.79Å; Y219-R223 PolarHBondContact O-N 3.26Å |
| 220 | R | 69.4 | Low | 66.6 | Low | 183 Ų | 183 | 104.3 Ų | 104.3 | 69% | 0.691 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.6 | -31.2 | 174.2 | -175.4 | 175.5 | 164.1 | -172.7 | -4 | 113 | Y216 S218 | Y216-R220 WeakPolarHBondContact O-CB 3.41Å; Y216-R220 PolarHBondContact O-N 3.26Å; S218-R220 VanDerWaalsContact C-N 3.32Å; S218-R220 PolarHBondContact O-N 3.33Å |
| 221 | R | 64.3 | Low | 64.8 | Low | 144 Ų | 144 | 107.8 Ų | 107.8 | 54% | 0.543 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -78.2 | -36.2 | 174.1 | -78 | -175.4 | -83.1 | 166.7 | -2.9 | 112.5 | K217 S218 Y219 | K217-R221 WeakPolarHBondContact O-CG 3.35Å; K217-R221 PolarHBondContact O-N 2.87Å; K217-R221 PolarHBondContact O-NE 3.23Å; S218-R221 CarbonylContact O-C 3.29Å; S218-R221 WeakPolarHBondContact O-CA 3.32Å; S218-R221 WeakPolarHBondContact O-CB 3.18Å; S218-R221 PolarHBondContact O-N 3.02Å; Y219-R221 VanDerWaalsContact C-N 3.28Å; Y219-R221 PolarHBondContact O-N 2.93Å |
| 222 | V | 61.8 | Low | 63.2 | Low | 37 Ų | 37 | 116.1 Ų | 116.1 | 22% | 0.224 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -81.9 | -15.4 | -179 | 176.1 | 0 | 0 | 0 | 0 | 112.5 | S218 Y219 Q224 D225 Y230 | S218-V222 WeakPolarHBondContact O-CB 3.39Å; S218-V222 VanDerWaalsContact O-CG2 3.29Å; S218-V222 WeakPolarHBondContact O-CG2 3.43Å; S218-V222 PolarHBondContact O-N 3.35Å; Y219-V222 PolarHBondContact O-N 2.79Å; V222-Q224 PolarHBondContact O-N 3.09Å; V222-D225 WeakPolarHBondContact CG1-O 3.44Å; V222-D225 CarbonylContact O-C 3.55Å; V222-D225 PolarHBondContact O-N 3.4Å; V222-Y230 HydrophobicContact CG1-CE2 4.29Å; V222-Y230 HydrophobicContact CG2-CE2 4.16Å |
| 223 | R | 51.6 | Low | 61.7 | Low | 207 Ų | 207 | 115.4 Ų | 115.4 | 78% | 0.781 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -1.2 | 168 | -156.4 | 175.3 | 178.9 | -173.2 | -0.6 | 113.4 | Y219 | Y219-R223 PolarHBondContact O-N 3.26Š|
| 224 | Q | 53.7 | Low | 60.6 | Low | 178 Ų | 178 | 113 Ų | 113 | 83% | 0.832 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -8.5 | 166.7 | -80.4 | 179.3 | -41.3 | 0 | 0 | 114.2 | V222 | V222-Q224 PolarHBondContact O-N 3.09Š|
| 225 | D | 45.6 | Very low | 59.9 | Low | 132 Ų | 132 | 114 Ų | 114 | 71% | 0.706 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -149.9 | 119.7 | -178.2 | -141.4 | 0.9 | 0 | 0 | 0 | 112.1 | V222 S227 | V222-D225 WeakPolarHBondContact CG1-O 3.44Å; V222-D225 CarbonylContact O-C 3.55Å; V222-D225 PolarHBondContact O-N 3.4Å; D225-S227 PolarHBondContact O-N 2.99Å; D225-S227 VanDerWaalsContact O-N 3.15Å |
| 226 | D | 48 | Very low | 59.6 | Low | 168 Ų | 168 | 112.4 Ų | 112.4 | 90% | 0.898 | 56% | 0.562 | S | S | * | * | trans | -75.8 | 97.9 | -164.9 | -162.1 | 13.2 | 0 | 0 | 0 | 112.2 | ||||
| 227 | S | 48.2 | Very low | 59.5 | Low | 73 Ų | 73 | 105.8 Ų | 105.8 | 51% | 0.51 | 54% | 0.537 | S | S | . | . | trans | -153.6 | 114.1 | 162 | 58.7 | 0 | 0 | 0 | 0 | 114.1 | D225 V229 | D225-S227 PolarHBondContact O-N 2.99Å; D225-S227 VanDerWaalsContact O-N 3.15Å; S227-V229 PolarHBondContact O-N 2.67Å | ||
| 228 | G | 50.1 | Low | 59.5 | Low | 85 Ų | 85 | 107.5 Ų | 107.5 | 88% | 0.876 | 55% | 0.545 | S | S | * | . | trans | -84.1 | 72.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 229 | V | 46.5 | Very low | 60 | Low | 126 Ų | 126 | 107.9 Ų | 107.9 | 76% | 0.764 | 55% | 0.547 | S | S | * | . | trans | -122 | 24.5 | 178.4 | -163.6 | 0 | 0 | 0 | 0 | 114.2 | S227 | S227-V229 PolarHBondContact O-N 2.67Š| ||
| 230 | Y | 50.2 | Low | 60.7 | Low | 119 Ų | 119 | 100.7 Ų | 100.7 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | trans | -102.4 | 7.9 | -173.3 | -72.7 | -77.4 | 0 | 0 | 0 | 117.2 | F215 V222 | F215-Y230 HydrophobicContact CD1-CD1 4.46Å; F215-Y230 HydrophobicContact CE1-CD1 4.17Å; V222-Y230 HydrophobicContact CG1-CE2 4.29Å; V222-Y230 HydrophobicContact CG2-CE2 4.16Å | ||
| 231 | S | 50.8 | Low | 61.7 | Low | 101 Ų | 101 | 93.8 Ų | 93.8 | 71% | 0.706 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -85 | -26.4 | -168.4 | 171.3 | 0 | 0 | 0 | 0 | 116.2 | S233 | S231-S233 PolarHBondContact O-N 2.96Š|
| 232 | K | 49.7 | Very low | 62.9 | Low | 178 Ų | 178 | 88.4 Ų | 88.4 | 77% | 0.774 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -78.4 | -26.1 | -164.5 | -115 | 172.3 | -176.6 | 166.2 | 0 | 116.1 | ||
| 233 | S | 54.4 | Low | 64.3 | Low | 43 Ų | 43 | 87.2 Ų | 87.2 | 30% | 0.301 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -79.8 | -33.6 | -179.1 | -165.3 | 0 | 0 | 0 | 0 | 112.6 | S231 C235 S236 I237 | S231-S233 PolarHBondContact O-N 2.96Å; S233-C235 PolarHBondContact O-N 3.26Å; S233-S236 PolarHBondContact O-N 3.26Å; S233-S236 PolarHBondContact O-OG 2.03Å; S233-I237 PolarHBondContact O-N 2.89Å |
| 234 | N | 61.1 | Low | 66.2 | Low | 71 Ų | 71 | 77.4 Ų | 77.4 | 38% | 0.38 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.6 | -37.2 | -172.2 | -69.7 | -9.3 | 0 | 0 | 0 | 113.8 | F215 S236 I237 F238 | F215-N234 VanDerWaalsContact CE2-OD1 3.27Å; F215-N234 WeakPolarHBondContact CE2-OD1 3.12Å; F215-N234 WeakPolarHBondContact CZ-OD1 3.43Å; N234-S236 PolarHBondContact O-N 2.93Å; N234-I237 PolarHBondContact O-N 2.9Å; N234-F238 WeakPolarHBondContact O-CB 3.24Å; N234-F238 PolarHBondContact O-N 3.2Å |
| 235 | C | 67.9 | Low | 68.1 | Low | 76 Ų | 76 | 73.6 Ų | 73.6 | 51% | 0.514 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.4 | -39.5 | -177 | -167 | 0 | 0 | 0 | 0 | 111.9 | S233 S239 | S233-C235 PolarHBondContact O-N 3.26Å; C235-S239 WeakPolarHBondContact O-CB 3.4Å; C235-S239 PolarHBondContact O-N 3.3Å; C235-S239 PolarHBondContact O-OG 3.32Å |
| 236 | S | 73.2 | Confident | 70.4 | Confident | 6 Ų | 6 | 71.7 Ų | 71.7 | 4% | 0.042 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 177.3 | 75.2 | 0 | 0 | 0 | 0 | 111.3 | S233 N234 S239 L240 M301 | S233-S236 PolarHBondContact O-N 3.26Å; S233-S236 PolarHBondContact O-OG 2.03Å; N234-S236 PolarHBondContact O-N 2.93Å; S236-S239 PolarHBondContact O-N 3.11Å; S236-L240 PolarHBondContact O-N 2.98Å; S236-L240 VanDerWaalsContact O-N 3.09Å; S236-M301 VanDerWaalsContact CB-CE 3.44Å; S236-M301 WeakPolarHBondContact CB-SD 3.41Å; S236-M301 WeakPolarHBondContact O-CE 3.1Å; S236-M301 PolarHBondContact OG-SD 3.34Å; S236-M301 VanDerWaalsContact OG-SD 3.39Å |
| 237 | I | 77.8 | Confident | 72.6 | Confident | 15 Ų | 15 | 63.7 Ų | 63.7 | 8% | 0.077 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.2 | -50.2 | 178.4 | -76.3 | 176 | 0 | 0 | 0 | 111.8 | Y208 I211 S233 N234 S239 L240 L241 | Y208-I237 HydrophobicContact CD1-CB 4.38Å; Y208-I237 HydrophobicContact CD1-CG2 3.3Å; Y208-I237 HydrophobicContact CE1-CB 3.83Å; Y208-I237 HydrophobicContact CE1-CG1 3.91Å; Y208-I237 HydrophobicContact CE1-CG2 3.19Å; Y208-I237 HydrophobicContact CG-CG2 4.49Å; I211-I237 HydrophobicContact CD1-CD1 4.23Å; I211-I237 HydrophobicContact CG2-CD1 3.91Å; S233-I237 PolarHBondContact O-N 2.89Å; N234-I237 PolarHBondContact O-N 2.9Å; I237-S239 VanDerWaalsContact C-N 3.28Å; I237-S239 PolarHBondContact O-N 3.46Å; I237-L240 PolarHBondContact O-N 3.12Å; I237-L241 PolarHBondContact O-N 3.24Å |
| 238 | F | 81.7 | Confident | 74.9 | Confident | 148 Ų | 148 | 60.3 Ų | 60.3 | 65% | 0.649 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.5 | -38.1 | 178.8 | -178 | -98.7 | 0 | 0 | 0 | 111.8 | N234 L241 A242 | N234-F238 WeakPolarHBondContact O-CB 3.24Å; N234-F238 PolarHBondContact O-N 3.2Å; F238-L241 PolarHBondContact O-N 3.38Å; F238-A242 WeakPolarHBondContact O-CB 3.43Å; F238-A242 PolarHBondContact O-N 3.08Å |
| 239 | S | 83.7 | Confident | 77 | Confident | 24 Ų | 24 | 57.4 Ų | 57.4 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 177.9 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | C235 S236 I237 L241 A242 V243 L300 | C235-S239 WeakPolarHBondContact O-CB 3.4Å; C235-S239 PolarHBondContact O-N 3.3Å; C235-S239 PolarHBondContact O-OG 3.32Å; S236-S239 PolarHBondContact O-N 3.11Å; I237-S239 VanDerWaalsContact C-N 3.28Å; I237-S239 PolarHBondContact O-N 3.46Å; S239-L241 PolarHBondContact O-N 3.43Å; S239-A242 PolarHBondContact O-N 2.85Å; S239-V243 VanDerWaalsContact O-CG2 3.3Å; S239-V243 WeakPolarHBondContact O-CG2 3.46Å; S239-V243 PolarHBondContact O-N 2.92Å; S239-L300 WeakPolarHBondContact OG-CD1 3.23Å |
| 240 | L | 85.8 | Confident | 79.3 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 177 | -170.4 | 159.1 | 0 | 0 | 0 | 111.4 | M112 I115 S116 L204 Y208 S236 I237 V243 F244 M301 | M112-L240 HydrophobicContact CB-CD2 4.5Å; I115-L240 HydrophobicContact CB-CD1 4.35Å; I115-L240 HydrophobicContact CG2-CD1 3.57Å; S116-L240 WeakPolarHBondContact OG-CD2 3.39Å; L204-L240 HydrophobicContact CD2-CD2 3.86Å; Y208-L240 HydrophobicContact CE2-CD2 4.26Å; Y208-L240 WeakPolarHBondContact OH-CD2 3.46Å; S236-L240 PolarHBondContact O-N 2.98Å; S236-L240 VanDerWaalsContact O-N 3.09Å; I237-L240 PolarHBondContact O-N 3.12Å; L240-V243 PolarHBondContact O-N 2.77Å; L240-F244 WeakPolarHBondContact O-CB 3.46Å; L240-F244 PolarHBondContact O-N 2.58Å; L240-M301 HydrophobicContact CB-CE 4.04Å; L240-M301 HydrophobicContact CD1-CE 4.14Å |
| 241 | L | 89.1 | Confident | 81.5 | Confident | 37 Ų | 37 | 47.7 Ų | 47.7 | 19% | 0.194 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.8 | -51.2 | 173.7 | -82 | 172.7 | 0 | 0 | 0 | 111.6 | Y208 I237 F238 S239 V243 F244 F245 | Y208-L241 HydrophobicContact CD1-CD1 4.03Å; Y208-L241 HydrophobicContact CD1-CG 4.36Å; Y208-L241 HydrophobicContact CD2-CD1 3.77Å; Y208-L241 HydrophobicContact CD2-CD2 3.29Å; Y208-L241 HydrophobicContact CD2-CG 3.5Å; Y208-L241 HydrophobicContact CE1-CD1 4.5Å; Y208-L241 HydrophobicContact CE1-CG 4.45Å; Y208-L241 HydrophobicContact CE2-CD1 4.21Å; Y208-L241 HydrophobicContact CE2-CD2 3.56Å; Y208-L241 HydrophobicContact CE2-CG 3.55Å; Y208-L241 HydrophobicContact CG-CD1 3.63Å; Y208-L241 HydrophobicContact CG-CD2 4.04Å; Y208-L241 HydrophobicContact CG-CG 3.91Å; I237-L241 PolarHBondContact O-N 3.24Å; F238-L241 PolarHBondContact O-N 3.38Å; S239-L241 PolarHBondContact O-N 3.43Å; L241-V243 PolarHBondContact O-N 2.86Å; L241-F244 PolarHBondContact O-N 2.91Å; L241-F245 HydrophobicContact CD2-CD2 4.21Å; L241-F245 HydrophobicContact CD2-CE2 3.82Å; L241-F245 WeakPolarHBondContact O-CB 3.43Å; L241-F245 VanDerWaalsContact O-CD2 3.29Å; L241-F245 WeakPolarHBondContact O-CD2 3.38Å; L241-F245 PolarHBondContact O-N 3.49Å |
| 242 | A | 89.9 | Confident | 83.6 | Confident | 31 Ų | 31 | 42.9 Ų | 42.9 | 26% | 0.256 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.1 | -48.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F238 S239 F244 F245 I246 | F238-A242 WeakPolarHBondContact O-CB 3.43Å; F238-A242 PolarHBondContact O-N 3.08Å; S239-A242 PolarHBondContact O-N 2.85Å; A242-F244 VanDerWaalsContact C-N 3.35Å; A242-F244 PolarHBondContact O-N 3.47Å; A242-F245 PolarHBondContact O-N 3.44Å; A242-I246 HydrophobicContact CB-CD1 4.47Å; A242-I246 VanDerWaalsContact O-CB 3.25Å; A242-I246 WeakPolarHBondContact O-CB 3.29Å; A242-I246 WeakPolarHBondContact O-CD1 3.49Å; A242-I246 WeakPolarHBondContact O-CG1 3.38Å; A242-I246 PolarHBondContact O-N 3.48Å |
| 243 | V | 91.3 | Very high | 85.6 | Confident | 13 Ų | 13 | 38.5 Ų | 38.5 | 8% | 0.079 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.4 | -46.8 | 177 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | S239 L240 L241 F245 I246 C247 N290 L293 I297 | S239-V243 VanDerWaalsContact O-CG2 3.3Å; S239-V243 WeakPolarHBondContact O-CG2 3.46Å; S239-V243 PolarHBondContact O-N 2.92Å; L240-V243 PolarHBondContact O-N 2.77Å; L241-V243 PolarHBondContact O-N 2.86Å; V243-F245 PolarHBondContact O-N 3.5Å; V243-I246 PolarHBondContact O-N 3.23Å; V243-C247 VanDerWaalsContact O-CB 3.25Å; V243-C247 WeakPolarHBondContact O-CB 3.05Å; V243-C247 PolarHBondContact O-N 3.02Å; V243-C247 PolarHBondContact O-SG 3.29Å; V243-N290 VanDerWaalsContact CG1-OD1 3.24Å; V243-N290 WeakPolarHBondContact CG1-OD1 3.45Å; V243-L293 HydrophobicContact CG1-CB 3.89Å; V243-L293 HydrophobicContact CG1-CD1 4.35Å; V243-L293 HydrophobicContact CG2-CB 3.83Å; V243-L293 HydrophobicContact CG2-CD1 4.25Å; V243-I297 HydrophobicContact CB-CD1 4Å; V243-I297 HydrophobicContact CG1-CD1 3.98Å; V243-I297 HydrophobicContact CG2-CD1 4.1Å; V243-I297 HydrophobicContact CG2-CG1 4.39Å |
| 244 | F | 92.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.6 | -47.9 | -179.1 | -175.9 | -85.8 | 0 | 0 | 0 | 112.5 | I109 M112 F197 T200 V201 L204 L240 L241 A242 F248 V249 | I109-F244 HydrophobicContact CG1-CE2 4.42Å; I109-F244 HydrophobicContact CG2-CE2 4.12Å; M112-F244 HydrophobicContact CB-CD2 4.44Å; M112-F244 HydrophobicContact SD-CB 4.39Å; M112-F244 HydrophobicContact SD-CD2 3.96Å; F197-F244 AromaticContact CD2-CZ 3.9Å; F197-F244 HydrophobicContact CD2-CZ 3.9Å; F197-F244 AromaticContact CE2-CE1 3.73Å; F197-F244 HydrophobicContact CE2-CE1 3.73Å; F197-F244 AromaticContact CE2-CZ 3.55Å; F197-F244 HydrophobicContact CE2-CZ 3.55Å; F197-F244 HydrophobicContact CZ-CE1 4.3Å; F197-F244 HydrophobicContact CZ-CZ 4.46Å; T200-F244 HydrophobicContact CG2-CE2 3.76Å; T200-F244 HydrophobicContact CG2-CZ 3.98Å; V201-F244 HydrophobicContact CG2-CE1 3.68Å; V201-F244 HydrophobicContact CG2-CZ 4.01Å; L204-F244 HydrophobicContact CD1-CB 4.37Å; L204-F244 HydrophobicContact CD1-CD1 3.45Å; L204-F244 VanDerWaalsContact CD1-CD1 3.45Å; L204-F244 HydrophobicContact CD1-CD2 3.59Å; L204-F244 HydrophobicContact CD1-CE1 3.49Å; L204-F244 VanDerWaalsContact CD1-CE1 3.49Å; L204-F244 HydrophobicContact CD1-CE2 3.6Å; L204-F244 HydrophobicContact CD1-CG 3.51Å; L204-F244 HydrophobicContact CD1-CZ 3.55Å; L240-F244 WeakPolarHBondContact O-CB 3.46Å; L240-F244 PolarHBondContact O-N 2.58Å; L241-F244 PolarHBondContact O-N 2.91Å; A242-F244 VanDerWaalsContact C-N 3.35Å; A242-F244 PolarHBondContact O-N 3.47Å; F244-F248 HydrophobicContact CB-CD2 4.44Å; F244-F248 AromaticContact CD2-CD2 3.68Å; F244-F248 HydrophobicContact CD2-CD2 3.68Å; F244-F248 HydrophobicContact CD2-CE2 4.24Å; F244-F248 HydrophobicContact CE2-CD2 4.08Å; F244-F248 HydrophobicContact CG-CD2 4.1Å; F244-F248 WeakPolarHBondContact O-CB 3.04Å; F244-F248 WeakPolarHBondContact O-CD2 3.48Å; F244-F248 PolarHBondContact O-N 2.91Å; F244-V249 HydrophobicContact CD1-CG2 4.48Å; F244-V249 HydrophobicContact CE1-CG2 4.33Å |
| 245 | F | 92.8 | Very high | 88.9 | Confident | 99 Ų | 99 | 35.4 Ų | 35.4 | 43% | 0.434 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69.1 | -40.5 | -178.4 | -86.5 | -90.2 | 0 | 0 | 0 | 112.1 | L241 A242 V243 V249 P250 | L241-F245 HydrophobicContact CD2-CD2 4.21Å; L241-F245 HydrophobicContact CD2-CE2 3.82Å; L241-F245 WeakPolarHBondContact O-CB 3.43Å; L241-F245 VanDerWaalsContact O-CD2 3.29Å; L241-F245 WeakPolarHBondContact O-CD2 3.38Å; L241-F245 PolarHBondContact O-N 3.49Å; A242-F245 PolarHBondContact O-N 3.44Å; V243-F245 PolarHBondContact O-N 3.5Å; F245-V249 HydrophobicContact CB-CG2 4.41Å; F245-V249 HydrophobicContact CD1-CG2 3.66Å; F245-V249 HydrophobicContact CE1-CG2 4.13Å; F245-V249 HydrophobicContact CG-CG2 4.16Å; F245-V249 WeakPolarHBondContact O-CB 3.49Å; F245-P250 VanDerWaalsContact O-CD 3.23Å; F245-P250 WeakPolarHBondContact O-CD 3.39Å |
| 246 | I | 92.8 | Very high | 89.9 | Confident | 92 Ų | 92 | 34.3 Ų | 34.3 | 47% | 0.472 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -69.1 | -46.4 | 179.1 | -68.5 | 167.4 | 0 | 0 | 0 | 110.2 | A242 V243 P250 L286 | A242-I246 HydrophobicContact CB-CD1 4.47Å; A242-I246 VanDerWaalsContact O-CB 3.25Å; A242-I246 WeakPolarHBondContact O-CB 3.29Å; A242-I246 WeakPolarHBondContact O-CD1 3.49Å; A242-I246 WeakPolarHBondContact O-CG1 3.38Å; A242-I246 PolarHBondContact O-N 3.48Å; V243-I246 PolarHBondContact O-N 3.23Å; I246-P250 WeakPolarHBondContact O-CD 3.45Å; I246-P250 WeakPolarHBondContact O-CG 3.39Å; I246-L286 HydrophobicContact CG2-CD1 3.88Å; I246-L286 HydrophobicContact CG2-CG 4.45Å; I246-L286 WeakPolarHBondContact O-CD2 3.19Å; I246-L286 VanDerWaalsContact O-CG 3.24Å; I246-L286 WeakPolarHBondContact O-CG 3.45Å |
| 247 | C | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -80.1 | -45.5 | -171.9 | -58.5 | 0 | 0 | 0 | 0 | 113 | V243 L286 S287 N290 | V243-C247 VanDerWaalsContact O-CB 3.25Å; V243-C247 WeakPolarHBondContact O-CB 3.05Å; V243-C247 PolarHBondContact O-N 3.02Å; V243-C247 PolarHBondContact O-SG 3.29Å; C247-L286 WeakPolarHBondContact CA-O 3.18Å; C247-S287 WeakPolarHBondContact O-CA 3.08Å; C247-S287 WeakPolarHBondContact O-CB 3.35Å; C247-S287 PolarHBondContact O-N 3.04Å; C247-N290 HydrophobicContact CB-CB 4.09Å |
| 248 | F | 95.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -35.7 | -166 | -56.7 | -66.8 | 0 | 0 | 0 | 114.6 | M105 I109 M112 F197 F244 Y251 H252 S287 N290 | M105-F248 HydrophobicContact CG-CD1 4.13Å; M105-F248 HydrophobicContact CG-CE1 3.82Å; I109-F248 HydrophobicContact CD1-CD1 3.77Å; I109-F248 HydrophobicContact CD1-CE1 4.22Å; I109-F248 HydrophobicContact CD1-CG 4.13Å; I109-F248 HydrophobicContact CG1-CD1 3.81Å; I109-F248 HydrophobicContact CG1-CD2 4.23Å; I109-F248 HydrophobicContact CG1-CE1 3.94Å; I109-F248 HydrophobicContact CG1-CE2 4.4Å; I109-F248 HydrophobicContact CG1-CG 3.94Å; I109-F248 HydrophobicContact CG1-CZ 4.23Å; M112-F248 HydrophobicContact CE-CD2 4.18Å; M112-F248 HydrophobicContact CE-CE2 3.11Å; M112-F248 HydrophobicContact CE-CZ 3.37Å; M112-F248 HydrophobicContact SD-CE2 3.83Å; F197-F248 HydrophobicContact CD2-CB 4.2Å; F197-F248 HydrophobicContact CE2-CB 3.65Å; F244-F248 HydrophobicContact CB-CD2 4.44Å; F244-F248 AromaticContact CD2-CD2 3.68Å; F244-F248 HydrophobicContact CD2-CD2 3.68Å; F244-F248 HydrophobicContact CD2-CE2 4.24Å; F244-F248 HydrophobicContact CE2-CD2 4.08Å; F244-F248 HydrophobicContact CG-CD2 4.1Å; F244-F248 WeakPolarHBondContact O-CB 3.04Å; F244-F248 WeakPolarHBondContact O-CD2 3.48Å; F244-F248 PolarHBondContact O-N 2.91Å; F248-Y251 PolarHBondContact O-N 3.44Å; F248-H252 PolarHBondContact O-N 3.36Å; F248-H252 VanDerWaalsContact O-N 3.09Å; F248-H252 PolarHBondContact O-ND1 3.47Å; F248-S287 WeakPolarHBondContact CD1-OG 3.5Å; F248-N290 HydrophobicContact CE1-CB 4.32Å; F248-N290 HydrophobicContact CE2-CB 4.45Å; F248-N290 HydrophobicContact CZ-CB 3.76Å; F248-N290 WeakPolarHBondContact CZ-OD1 3.34Å |
| 249 | V | 94.9 | Very high | 91.3 | Very high | 25 Ų | 25 | 33.8 Ų | 33.8 | 15% | 0.152 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.4 | -47.8 | -174.8 | 176.6 | 0 | 0 | 0 | 0 | 112.2 | F197 F244 F245 Y251 H252 I253 | F197-V249 HydrophobicContact CE2-CG2 4.34Å; F197-V249 HydrophobicContact CZ-CB 4.23Å; F197-V249 HydrophobicContact CZ-CG2 3.75Å; F244-V249 HydrophobicContact CD1-CG2 4.48Å; F244-V249 HydrophobicContact CE1-CG2 4.33Å; F245-V249 HydrophobicContact CB-CG2 4.41Å; F245-V249 HydrophobicContact CD1-CG2 3.66Å; F245-V249 HydrophobicContact CE1-CG2 4.13Å; F245-V249 HydrophobicContact CG-CG2 4.16Å; F245-V249 WeakPolarHBondContact O-CB 3.49Å; V249-Y251 VanDerWaalsContact C-N 3.3Å; V249-Y251 PolarHBondContact O-N 3.45Å; V249-H252 PolarHBondContact O-N 3.4Å; V249-I253 HydrophobicContact CG1-CD1 3.6Å; V249-I253 HydrophobicContact CG1-CG1 4.3Å; V249-I253 WeakPolarHBondContact O-CG1 3.34Å; V249-I253 PolarHBondContact O-N 2.9Å; V249-I253 VanDerWaalsContact O-N 3.09Å |
| 250 | P | 95.8 | Very high | 91.4 | Very high | 39 Ų | 39 | 36.5 Ų | 36.5 | 25% | 0.253 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.1 | -44.2 | 179.4 | -26.5 | 36.8 | 0 | 0 | 0 | 111.9 | F245 I246 H252 I253 C254 T283 L286 | F245-P250 VanDerWaalsContact O-CD 3.23Å; F245-P250 WeakPolarHBondContact O-CD 3.39Å; I246-P250 WeakPolarHBondContact O-CD 3.45Å; I246-P250 WeakPolarHBondContact O-CG 3.39Å; P250-H252 PolarHBondContact O-N 2.9Å; P250-I253 PolarHBondContact O-N 2.88Å; P250-C254 WeakPolarHBondContact O-CB 2.98Å; P250-C254 PolarHBondContact O-N 3.5Å; P250-C254 PolarHBondContact O-SG 3.2Å; P250-T283 HydrophobicContact CB-CG2 3.61Å; P250-L286 HydrophobicContact CB-CD2 4.21Å; P250-L286 HydrophobicContact CG-CD2 3.91Å |
| 251 | Y | 96 | Very high | 91.4 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.3 | -48.5 | 179.6 | 174.6 | -109.3 | 0 | 0 | 0 | 112.1 | Y102 M105 F248 V249 I253 C254 R255 K280 L284 | Y102-Y251 HydrophobicContact CE1-CE1 4.21Å; Y102-Y251 AromaticContact CE1-CZ 3.71Å; Y102-Y251 WeakPolarHBondContact CE1-OH 3.48Å; Y102-Y251 PolarHBondContact OH-OH 3.23Å; M105-Y251 HydrophobicContact CE-CD1 4.26Å; M105-Y251 HydrophobicContact CE-CE1 3.9Å; M105-Y251 HydrophobicContact SD-CD1 4.11Å; M105-Y251 HydrophobicContact SD-CE1 4.12Å; F248-Y251 PolarHBondContact O-N 3.44Å; V249-Y251 VanDerWaalsContact C-N 3.3Å; V249-Y251 PolarHBondContact O-N 3.45Å; Y251-I253 VanDerWaalsContact C-N 3.33Å; Y251-I253 PolarHBondContact O-N 3.4Å; Y251-C254 PolarHBondContact O-N 3.01Å; Y251-R255 HydrophobicContact CE1-CB 4.35Å; Y251-R255 HydrophobicContact CE1-CG 4.44Å; Y251-R255 HydrophobicContact CE2-CB 4.24Å; Y251-R255 WeakPolarHBondContact O-CB 3.15Å; Y251-R255 PolarHBondContact O-N 3.36Å; Y251-R255 WeakPolarHBondContact OH-CD 3.05Å; Y251-R255 PolarHBondContact OH-NE 2.72Å; Y251-R255 VanDerWaalsContact OH-NE 3.1Å; Y251-K280 HydrophobicContact CE2-CG 4.14Å; Y251-L284 HydrophobicContact CD2-CB 3.76Å; Y251-L284 HydrophobicContact CD2-CD1 3.97Å; Y251-L284 HydrophobicContact CD2-CG 4.47Å; Y251-L284 HydrophobicContact CE1-CD1 4.48Å; Y251-L284 HydrophobicContact CE2-CB 3.81Å; Y251-L284 HydrophobicContact CE2-CD1 3.61Å; Y251-L284 HydrophobicContact CE2-CD2 4.49Å; Y251-L284 HydrophobicContact CE2-CG 4.18Å |
| 252 | H | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.3 | -33.3 | -176 | -72.4 | 83.1 | 0 | 0 | 0 | 112.3 | Y106 F197 F248 V249 P250 V256 | Y106-H252 AromaticContact CE1-NE2 3.39Å; Y106-H252 WeakPolarHBondContact CE1-NE2 3.34Å; Y106-H252 AromaticContact CZ-NE2 3.73Å; Y106-H252 PolarHBondContact OH-NE2 3.35Å; F197-H252 HydrophobicContact CD1-CB 3.54Å; F197-H252 AromaticContact CD1-CD2 3.8Å; F197-H252 AromaticContact CD1-CG 3.55Å; F197-H252 HydrophobicContact CD2-CB 4.38Å; F197-H252 AromaticContact CD2-CD2 3.96Å; F197-H252 AromaticContact CD2-CE1 3.63Å; F197-H252 AromaticContact CD2-CG 3.68Å; F197-H252 AromaticContact CD2-ND1 3.46Å; F197-H252 WeakPolarHBondContact CD2-ND1 3.45Å; F197-H252 AromaticContact CD2-NE2 3.96Å; F197-H252 HydrophobicContact CE1-CB 3.52Å; F197-H252 AromaticContact CE1-CG 3.89Å; F197-H252 HydrophobicContact CE2-CB 4.36Å; F197-H252 AromaticContact CE2-ND1 3.68Å; F197-H252 HydrophobicContact CG-CB 3.99Å; F197-H252 AromaticContact CG-CD2 3.45Å; F197-H252 VanDerWaalsContact CG-CD2 3.45Å; F197-H252 WeakPolarHBondContact CG-CD2 3.4Å; F197-H252 AromaticContact CG-CE1 3.92Å; F197-H252 AromaticContact CG-CG 3.43Å; F197-H252 VanDerWaalsContact CG-CG 3.43Å; F197-H252 AromaticContact CG-ND1 3.73Å; F197-H252 AromaticContact CG-NE2 3.79Å; F197-H252 HydrophobicContact CZ-CB 3.95Å; F248-H252 PolarHBondContact O-N 3.36Å; F248-H252 VanDerWaalsContact O-N 3.09Å; F248-H252 PolarHBondContact O-ND1 3.47Å; V249-H252 PolarHBondContact O-N 3.4Å; P250-H252 PolarHBondContact O-N 2.9Å; H252-V256 VanDerWaalsContact O-CG2 3.32Å; H252-V256 WeakPolarHBondContact O-CG2 3.46Å; H252-V256 PolarHBondContact O-N 3.18Å |
| 253 | I | 92.1 | Very high | 90.6 | Very high | 87 Ų | 87 | 40.3 Ų | 40.3 | 45% | 0.446 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65 | -51.3 | 172.4 | -66.6 | 171.5 | 0 | 0 | 0 | 110.7 | V249 P250 Y251 R255 V256 T257 | V249-I253 HydrophobicContact CG1-CD1 3.6Å; V249-I253 HydrophobicContact CG1-CG1 4.3Å; V249-I253 WeakPolarHBondContact O-CG1 3.34Å; V249-I253 PolarHBondContact O-N 2.9Å; V249-I253 VanDerWaalsContact O-N 3.09Å; P250-I253 PolarHBondContact O-N 2.88Å; Y251-I253 VanDerWaalsContact C-N 3.33Å; Y251-I253 PolarHBondContact O-N 3.4Å; I253-R255 VanDerWaalsContact C-N 3.33Å; I253-R255 PolarHBondContact O-N 3.5Å; I253-V256 PolarHBondContact O-N 3.25Å; I253-T257 PolarHBondContact O-N 2.94Å; I253-T257 PolarHBondContact O-OG1 3.35Å; I253-T257 VanDerWaalsContact O-OG1 3.1Å |
| 254 | C | 92.9 | Very high | 89.9 | Confident | 25 Ų | 25 | 45.8 Ų | 45.8 | 17% | 0.169 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.6 | -36.4 | 179.3 | -72.5 | 0 | 0 | 0 | 0 | 112.4 | P250 Y251 T257 Y258 T283 | P250-C254 WeakPolarHBondContact O-CB 2.98Å; P250-C254 PolarHBondContact O-N 3.5Å; P250-C254 PolarHBondContact O-SG 3.2Å; Y251-C254 PolarHBondContact O-N 3.01Å; C254-T257 WeakPolarHBondContact CA-OG1 3.47Å; C254-T257 PolarHBondContact O-OG1 3.22Å; C254-Y258 WeakPolarHBondContact O-CB 3.45Å; C254-Y258 PolarHBondContact O-N 2.92Å; C254-T283 HydrophobicContact CB-CG2 4.44Å |
| 255 | R | 90.3 | Very high | 89.2 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 179.2 | -173.6 | -171.5 | -165.2 | -100.8 | -4.6 | 112.1 | S190 Y251 I253 T259 | S190-R255 VanDerWaalsContact CB-NH2 3.27Å; S190-R255 PolarHBondContact O-NH1 3.28Å; S190-R255 PolarHBondContact OG-NH2 2.98Å; Y251-R255 HydrophobicContact CE1-CB 4.35Å; Y251-R255 HydrophobicContact CE1-CG 4.44Å; Y251-R255 HydrophobicContact CE2-CB 4.24Å; Y251-R255 WeakPolarHBondContact O-CB 3.15Å; Y251-R255 PolarHBondContact O-N 3.36Å; Y251-R255 WeakPolarHBondContact OH-CD 3.05Å; Y251-R255 PolarHBondContact OH-NE 2.72Å; Y251-R255 VanDerWaalsContact OH-NE 3.1Å; I253-R255 VanDerWaalsContact C-N 3.33Å; I253-R255 PolarHBondContact O-N 3.5Å; R255-T259 WeakPolarHBondContact O-CB 3.48Å; R255-T259 PolarHBondContact O-N 3.5Å; R255-T259 PolarHBondContact O-OG1 3.33Å |
| 256 | V | 88.9 | Confident | 88.7 | Confident | 53 Ų | 53 | 46.8 Ų | 46.8 | 32% | 0.321 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63 | -51.2 | 179.1 | 170.2 | 0 | 0 | 0 | 0 | 110 | V194 H252 I253 Y258 T259 Q260 | V194-V256 HydrophobicContact CG1-CG2 3.73Å; V194-V256 HydrophobicContact CG2-CG2 4.13Å; H252-V256 VanDerWaalsContact O-CG2 3.32Å; H252-V256 WeakPolarHBondContact O-CG2 3.46Å; H252-V256 PolarHBondContact O-N 3.18Å; I253-V256 PolarHBondContact O-N 3.25Å; V256-Y258 PolarHBondContact O-N 2.73Å; V256-T259 PolarHBondContact O-N 3.44Å; V256-Q260 WeakPolarHBondContact O-CG 3.5Å; V256-Q260 PolarHBondContact O-N 3.07Å |
| 257 | T | 88.8 | Confident | 88.4 | Confident | 58 Ų | 58 | 46.1 Ų | 46.1 | 36% | 0.356 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 179.7 | 49.4 | 0 | 0 | 0 | 0 | 112.2 | I253 C254 T259 Q260 S261 | I253-T257 PolarHBondContact O-N 2.94Å; I253-T257 PolarHBondContact O-OG1 3.35Å; I253-T257 VanDerWaalsContact O-OG1 3.1Å; C254-T257 WeakPolarHBondContact CA-OG1 3.47Å; C254-T257 PolarHBondContact O-OG1 3.22Å; T257-T259 PolarHBondContact O-N 3.11Å; T257-Q260 PolarHBondContact O-N 2.97Å; T257-S261 PolarHBondContact O-N 3.19Å |
| 258 | Y | 88.6 | Confident | 88.1 | Confident | 50 Ų | 50 | 50 Ų | 50 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.4 | -49 | 173.2 | 175.5 | -103.2 | 0 | 0 | 0 | 111.5 | C254 V256 Q260 S261 Q262 L276 F277 K280 | C254-Y258 WeakPolarHBondContact O-CB 3.45Å; C254-Y258 PolarHBondContact O-N 2.92Å; V256-Y258 PolarHBondContact O-N 2.73Å; Y258-Q260 VanDerWaalsContact C-N 3.29Å; Y258-Q260 PolarHBondContact O-N 2.96Å; Y258-S261 WeakPolarHBondContact O-CB 3.41Å; Y258-S261 PolarHBondContact O-N 3.47Å; Y258-S261 PolarHBondContact O-OG 2.86Å; Y258-Q262 HydrophobicContact CD1-CG 4.4Å; Y258-Q262 HydrophobicContact CE1-CG 3.98Å; Y258-Q262 HydrophobicContact CE2-CG 4.12Å; Y258-Q262 WeakPolarHBondContact O-CG 3.4Å; Y258-Q262 PolarHBondContact O-N 3.01Å; Y258-L276 HydrophobicContact CD2-CB 4Å; Y258-F277 HydrophobicContact CD2-CB 4.38Å; Y258-F277 HydrophobicContact CE2-CB 3.84Å; Y258-F277 HydrophobicContact CE2-CD2 4.2Å; Y258-K280 HydrophobicContact CD1-CD 3.58Å; Y258-K280 HydrophobicContact CE1-CD 3.93Å; Y258-K280 HydrophobicContact CG-CD 3.95Å |
| 259 | T | 85.4 | Confident | 87.8 | Confident | 50 Ų | 50 | 52.9 Ų | 52.9 | 31% | 0.307 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.4 | -40.5 | -179.5 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | R255 V256 T257 S261 Q262 | R255-T259 WeakPolarHBondContact O-CB 3.48Å; R255-T259 PolarHBondContact O-N 3.5Å; R255-T259 PolarHBondContact O-OG1 3.33Å; V256-T259 PolarHBondContact O-N 3.44Å; T257-T259 PolarHBondContact O-N 3.11Å; T259-S261 VanDerWaalsContact C-N 3.35Å; T259-Q262 PolarHBondContact O-N 3.32Å |
| 260 | Q | 85.1 | Confident | 87.3 | Confident | 80 Ų | 80 | 59.6 Ų | 59.6 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 175.9 | -64.6 | -63 | -29.2 | 0 | 0 | 112 | V256 T257 Y258 Q262 L263 S266 | V256-Q260 WeakPolarHBondContact O-CG 3.5Å; V256-Q260 PolarHBondContact O-N 3.07Å; T257-Q260 PolarHBondContact O-N 2.97Å; Y258-Q260 VanDerWaalsContact C-N 3.29Å; Y258-Q260 PolarHBondContact O-N 2.96Å; Q260-Q262 PolarHBondContact O-N 3.37Å; Q260-L263 WeakPolarHBondContact O-CB 3.37Å; Q260-L263 PolarHBondContact O-N 3.3Å; Q260-L263 VanDerWaalsContact O-N 3.13Å; Q260-S266 WeakPolarHBondContact O-CB 3.39Å |
| 261 | S | 85.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.1 | -21 | 177.4 | 79.6 | 0 | 0 | 0 | 0 | 114 | T257 Y258 T259 S266 R273 | T257-S261 PolarHBondContact O-N 3.19Å; Y258-S261 WeakPolarHBondContact O-CB 3.41Å; Y258-S261 PolarHBondContact O-N 3.47Å; Y258-S261 PolarHBondContact O-OG 2.86Å; T259-S261 VanDerWaalsContact C-N 3.35Å; S261-S266 PolarHBondContact O-OG 2.87Å; S261-R273 PolarHBondContact O-NE 3.31Å; S261-R273 PolarHBondContact O-NH2 3.1Å |
| 262 | Q | 81.4 | Confident | 86.5 | Confident | 93 Ų | 93 | 65.2 Ų | 65.2 | 44% | 0.435 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -5.1 | 178.7 | -58.5 | -52.8 | -65.9 | 0 | 0 | 113.2 | Y258 T259 Q260 | Y258-Q262 HydrophobicContact CD1-CG 4.4Å; Y258-Q262 HydrophobicContact CE1-CG 3.98Å; Y258-Q262 HydrophobicContact CE2-CG 4.12Å; Y258-Q262 WeakPolarHBondContact O-CG 3.4Å; Y258-Q262 PolarHBondContact O-N 3.01Å; T259-Q262 PolarHBondContact O-N 3.32Å; Q260-Q262 PolarHBondContact O-N 3.37Å |
| 263 | L | 81.1 | Confident | 86.1 | Confident | 57 Ų | 57 | 69.2 Ų | 69.2 | 30% | 0.298 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -70.8 | 144.1 | 176.1 | -72.4 | 158.9 | 0 | 0 | 0 | 111.1 | Q260 G265 S266 | Q260-L263 WeakPolarHBondContact O-CB 3.37Å; Q260-L263 PolarHBondContact O-N 3.3Å; Q260-L263 VanDerWaalsContact O-N 3.13Å; L263-G265 PolarHBondContact O-N 3.13Å; L263-S266 VanDerWaalsContact O-CB 3.24Å; L263-S266 WeakPolarHBondContact O-CB 3.14Å; L263-S266 PolarHBondContact O-N 3.21Å; L263-S266 PolarHBondContact O-OG 3.28Å |
| 264 | P | 76.3 | Confident | 85.9 | Confident | 128 Ų | 128 | 67 Ų | 67 | 83% | 0.831 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 135.2 | 169.7 | -21.3 | 32.2 | 0 | 0 | 0 | 110.7 | S266 | P264-S266 VanDerWaalsContact C-N 3.29Å; P264-S266 PolarHBondContact O-N 2.77Å |
| 265 | G | 79.4 | Confident | 85.7 | Confident | 86 Ų | 86 | 69.9 Ų | 69.9 | 89% | 0.887 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 11.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L263 G267 | L263-G265 PolarHBondContact O-N 3.13Å; G265-G267 PolarHBondContact O-N 3.34Å; G265-G267 VanDerWaalsContact O-N 3.12Å |
| 266 | S | 81.6 | Confident | 85.7 | Confident | 33 Ų | 33 | 70.2 Ų | 70.2 | 23% | 0.231 | 40% | 0.398 | C | S | . | . | trans | -66 | -10.3 | -177.6 | 53 | 0 | 0 | 0 | 0 | 115.8 | Q260 S261 L263 P264 F268 R273 | Q260-S266 WeakPolarHBondContact O-CB 3.39Å; S261-S266 PolarHBondContact O-OG 2.87Å; L263-S266 VanDerWaalsContact O-CB 3.24Å; L263-S266 WeakPolarHBondContact O-CB 3.14Å; L263-S266 PolarHBondContact O-N 3.21Å; L263-S266 PolarHBondContact O-OG 3.28Å; P264-S266 VanDerWaalsContact C-N 3.29Å; P264-S266 PolarHBondContact O-N 2.77Å; S266-F268 VanDerWaalsContact O-CD2 3.24Å; S266-F268 WeakPolarHBondContact O-CD2 3.14Å; S266-F268 PolarHBondContact O-N 3.42Å; S266-F268 VanDerWaalsContact O-N 3.11Å; S266-R273 PolarHBondContact OG-NH2 2.88Å | ||
| 267 | G | 85.9 | Confident | 85.7 | Confident | 78 Ų | 78 | 71 Ų | 71 | 80% | 0.804 | 40% | 0.397 | S | S | * | . | trans | 72 | -3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | G265 | G265-G267 PolarHBondContact O-N 3.34Å; G265-G267 VanDerWaalsContact O-N 3.12Å | ||
| 268 | F | 88.5 | Confident | 85.7 | Confident | 82 Ų | 82 | 69.1 Ų | 69.1 | 36% | 0.36 | 38% | 0.384 | S | S | . | . | trans | -70.4 | 135.1 | 177.6 | -75.9 | -99.8 | 0 | 0 | 0 | 111.7 | S266 R273 L276 | S266-F268 VanDerWaalsContact O-CD2 3.24Å; S266-F268 WeakPolarHBondContact O-CD2 3.14Å; S266-F268 PolarHBondContact O-N 3.42Å; S266-F268 VanDerWaalsContact O-N 3.11Å; F268-R273 HydrophobicContact CB-CG 4.06Å; F268-R273 VanDerWaalsContact O-CZ 3.23Å; F268-R273 PolarHBondContact O-NH1 2.86Å; F268-R273 PolarHBondContact O-NH2 3.45Å; F268-L276 HydrophobicContact CD1-CD1 3.97Å; F268-L276 HydrophobicContact CE1-CD1 3.88Å | ||
| 269 | S | 89.8 | Confident | 85.9 | Confident | 61 Ų | 61 | 68.5 Ų | 68.5 | 43% | 0.427 | 39% | 0.389 | S | S | . | . | trans | -67.5 | 161.1 | 171.4 | 77.9 | 0 | 0 | 0 | 0 | 111.5 | H271 S272 R273 | S269-H271 VanDerWaalsContact C-N 3.28Å; S269-H271 PolarHBondContact O-N 2.96Å; S269-S272 PolarHBondContact O-N 3.33Å; S269-S272 PolarHBondContact OG-N 2.94Å; S269-S272 VanDerWaalsContact OG-N 3.11Å; S269-S272 PolarHBondContact OG-OG 3.47Å; S269-R273 PolarHBondContact O-N 2.86Å; S269-R273 VanDerWaalsContact O-N 3.07Å | ||
| 270 | W | 85 | Confident | 86.2 | Confident | 166 Ų | 166 | 67 Ų | 67 | 63% | 0.629 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -57 | -43.5 | 173.6 | -179.7 | 91.7 | 0 | 0 | 0 | 111.8 | S272 R273 Y274 | W270-S272 VanDerWaalsContact C-N 3.34Å; W270-S272 PolarHBondContact O-N 3.09Å; W270-R273 PolarHBondContact O-N 2.93Å; W270-Y274 HydrophobicContact CH2-CD2 4.5Å; W270-Y274 HydrophobicContact CH2-CG 4.28Å; W270-Y274 HydrophobicContact CZ3-CG 4.46Å; W270-Y274 WeakPolarHBondContact O-CB 3.46Å; W270-Y274 PolarHBondContact O-N 3.22Å |
| 271 | H | 87.3 | Confident | 86.5 | Confident | 114 Ų | 114 | 64.2 Ų | 64.2 | 53% | 0.528 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 178.9 | -175.3 | 72 | 0 | 0 | 0 | 111.9 | S269 Y274 M275 | S269-H271 VanDerWaalsContact C-N 3.28Å; S269-H271 PolarHBondContact O-N 2.96Å; H271-Y274 PolarHBondContact O-N 3.41Å; H271-M275 WeakPolarHBondContact O-CG 3.39Å; H271-M275 PolarHBondContact O-N 3.3Å |
| 272 | S | 88.3 | Confident | 86.9 | Confident | 45 Ų | 45 | 67.3 Ų | 67.3 | 32% | 0.315 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 177.2 | -54.1 | 0 | 0 | 0 | 0 | 112.3 | S269 W270 Y274 M275 L276 | S269-S272 PolarHBondContact O-N 3.33Å; S269-S272 PolarHBondContact OG-N 2.94Å; S269-S272 VanDerWaalsContact OG-N 3.11Å; S269-S272 PolarHBondContact OG-OG 3.47Å; W270-S272 VanDerWaalsContact C-N 3.34Å; W270-S272 PolarHBondContact O-N 3.09Å; S272-Y274 VanDerWaalsContact C-N 3.31Å; S272-Y274 PolarHBondContact O-N 3.3Å; S272-M275 PolarHBondContact O-N 2.72Å; S272-L276 WeakPolarHBondContact O-CB 3.33Å; S272-L276 VanDerWaalsContact O-CG 3.3Å; S272-L276 WeakPolarHBondContact O-CG 3.35Å; S272-L276 PolarHBondContact O-N 2.93Å |
| 273 | R | 86.8 | Confident | 87.5 | Confident | 83 Ų | 83 | 63.6 Ų | 63.6 | 31% | 0.313 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 175 | -71.6 | -178.9 | 177.7 | 118.4 | 7.2 | 111.7 | S261 S266 F268 S269 W270 L276 F277 | S261-R273 PolarHBondContact O-NE 3.31Å; S261-R273 PolarHBondContact O-NH2 3.1Å; S266-R273 PolarHBondContact OG-NH2 2.88Å; F268-R273 HydrophobicContact CB-CG 4.06Å; F268-R273 VanDerWaalsContact O-CZ 3.23Å; F268-R273 PolarHBondContact O-NH1 2.86Å; F268-R273 PolarHBondContact O-NH2 3.45Å; S269-R273 PolarHBondContact O-N 2.86Å; S269-R273 VanDerWaalsContact O-N 3.07Å; W270-R273 PolarHBondContact O-N 2.93Å; R273-L276 PolarHBondContact O-N 3.45Å; R273-F277 WeakPolarHBondContact O-CB 3.46Å; R273-F277 PolarHBondContact O-N 3.25Å |
| 274 | Y | 86.3 | Confident | 88.2 | Confident | 41 Ų | 41 | 61 Ų | 61 | 16% | 0.161 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 177.4 | 172.8 | -102.5 | 0 | 0 | 0 | 111.9 | F16 G17 W270 H271 S272 F277 Q278 | F16-Y274 HydrophobicContact CB-CE1 4.4Å; F16-Y274 PolarHBondContact O-OH 3.31Å; G17-Y274 VanDerWaalsContact CA-CE2 3.46Å; G17-Y274 WeakPolarHBondContact CA-OH 3.44Å; G17-Y274 PolarHBondContact N-OH 3.43Å; W270-Y274 HydrophobicContact CH2-CD2 4.5Å; W270-Y274 HydrophobicContact CH2-CG 4.28Å; W270-Y274 HydrophobicContact CZ3-CG 4.46Å; W270-Y274 WeakPolarHBondContact O-CB 3.46Å; W270-Y274 PolarHBondContact O-N 3.22Å; H271-Y274 PolarHBondContact O-N 3.41Å; S272-Y274 VanDerWaalsContact C-N 3.31Å; S272-Y274 PolarHBondContact O-N 3.3Å; Y274-F277 WeakPolarHBondContact O-CB 3.32Å; Y274-F277 PolarHBondContact O-N 3.46Å; Y274-Q278 HydrophobicContact CE1-CG 4.27Å; Y274-Q278 HydrophobicContact CE2-CG 4.08Å; Y274-Q278 PolarHBondContact O-N 3.16Å; Y274-Q278 VanDerWaalsContact O-N 3.07Å; Y274-Q278 WeakPolarHBondContact OH-CG 3.46Å; Y274-Q278 PolarHBondContact OH-NE2 3.23Å |
| 275 | M | 88.9 | Confident | 89.2 | Confident | 85 Ų | 85 | 56 Ų | 56 | 42% | 0.419 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 174.1 | -73 | -70.4 | 100.1 | 0 | 0 | 112.8 | H271 S272 F277 Q278 A279 | H271-M275 WeakPolarHBondContact O-CG 3.39Å; H271-M275 PolarHBondContact O-N 3.3Å; S272-M275 PolarHBondContact O-N 2.72Å; M275-F277 VanDerWaalsContact C-N 3.3Å; M275-F277 PolarHBondContact O-N 3.32Å; M275-Q278 PolarHBondContact O-N 3.22Å; M275-A279 WeakPolarHBondContact O-CB 3.34Å; M275-A279 PolarHBondContact O-N 2.87Å |
| 276 | L | 90.6 | Very high | 90 | Very high | 31 Ų | 31 | 54.2 Ų | 54.2 | 16% | 0.162 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.4 | -36.3 | 176.1 | -76 | 166.9 | 0 | 0 | 0 | 112.1 | Y258 F268 S272 R273 K280 | Y258-L276 HydrophobicContact CD2-CB 4Å; F268-L276 HydrophobicContact CD1-CD1 3.97Å; F268-L276 HydrophobicContact CE1-CD1 3.88Å; S272-L276 WeakPolarHBondContact O-CB 3.33Å; S272-L276 VanDerWaalsContact O-CG 3.3Å; S272-L276 WeakPolarHBondContact O-CG 3.35Å; S272-L276 PolarHBondContact O-N 2.93Å; R273-L276 PolarHBondContact O-N 3.45Å; L276-K280 VanDerWaalsContact O-CB 3.25Å; L276-K280 WeakPolarHBondContact O-CB 3.16Å; L276-K280 PolarHBondContact O-N 3.13Å |
| 277 | F | 88.5 | Confident | 90.7 | Very high | 70 Ų | 70 | 52.6 Ų | 52.6 | 31% | 0.307 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.5 | -50.1 | 173.8 | 174.3 | -101 | 0 | 0 | 0 | 111.3 | T21 Y258 R273 Y274 M275 A279 K280 E281 | T21-F277 HydrophobicContact CG2-CE1 4.31Å; Y258-F277 HydrophobicContact CD2-CB 4.38Å; Y258-F277 HydrophobicContact CE2-CB 3.84Å; Y258-F277 HydrophobicContact CE2-CD2 4.2Å; R273-F277 WeakPolarHBondContact O-CB 3.46Å; R273-F277 PolarHBondContact O-N 3.25Å; Y274-F277 WeakPolarHBondContact O-CB 3.32Å; Y274-F277 PolarHBondContact O-N 3.46Å; M275-F277 VanDerWaalsContact C-N 3.3Å; M275-F277 PolarHBondContact O-N 3.32Å; F277-A279 PolarHBondContact O-N 3.21Å; F277-K280 WeakPolarHBondContact O-CB 3.4Å; F277-K280 PolarHBondContact O-N 2.89Å; F277-E281 HydrophobicContact CE1-CG 4.09Å; F277-E281 HydrophobicContact CE2-CG 4.14Å; F277-E281 HydrophobicContact CZ-CG 3.85Å; F277-E281 PolarHBondContact O-N 3.29Å |
| 278 | Q | 89.4 | Confident | 91.2 | Very high | 18 Ų | 18 | 48.9 Ų | 48.9 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.2 | -47.3 | 177.7 | -67.9 | -62.3 | -29.2 | 0 | 0 | 111.6 | Y274 M275 K280 E281 V282 | Y274-Q278 HydrophobicContact CE1-CG 4.27Å; Y274-Q278 HydrophobicContact CE2-CG 4.08Å; Y274-Q278 PolarHBondContact O-N 3.16Å; Y274-Q278 VanDerWaalsContact O-N 3.07Å; Y274-Q278 WeakPolarHBondContact OH-CG 3.46Å; Y274-Q278 PolarHBondContact OH-NE2 3.23Å; M275-Q278 PolarHBondContact O-N 3.22Å; Q278-K280 VanDerWaalsContact C-N 3.3Å; Q278-K280 PolarHBondContact O-N 3.28Å; Q278-E281 PolarHBondContact O-N 2.93Å; Q278-E281 VanDerWaalsContact O-N 3.11Å; Q278-V282 WeakPolarHBondContact O-CG2 3.32Å; Q278-V282 PolarHBondContact O-N 3.34Å |
| 279 | A | 91.8 | Very high | 91.6 | Very high | 37 Ų | 37 | 47.2 Ų | 47.2 | 31% | 0.306 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.6 | -40.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M275 F277 T283 | M275-A279 WeakPolarHBondContact O-CB 3.34Å; M275-A279 PolarHBondContact O-N 2.87Å; F277-A279 PolarHBondContact O-N 3.21Å; A279-T283 WeakPolarHBondContact O-CB 3.34Å; A279-T283 WeakPolarHBondContact O-CG2 3.34Å; A279-T283 PolarHBondContact O-N 3Å; A279-T283 PolarHBondContact O-OG1 3.44Å |
| 280 | K | 92.2 | Very high | 91.9 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 8% | 0.083 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.7 | -42.2 | 174.2 | -176.8 | -158.5 | 72.7 | 74.1 | 0 | 111.7 | Y251 Y258 L276 F277 Q278 T283 L284 | Y251-K280 HydrophobicContact CE2-CG 4.14Å; Y258-K280 HydrophobicContact CD1-CD 3.58Å; Y258-K280 HydrophobicContact CE1-CD 3.93Å; Y258-K280 HydrophobicContact CG-CD 3.95Å; L276-K280 VanDerWaalsContact O-CB 3.25Å; L276-K280 WeakPolarHBondContact O-CB 3.16Å; L276-K280 PolarHBondContact O-N 3.13Å; F277-K280 WeakPolarHBondContact O-CB 3.4Å; F277-K280 PolarHBondContact O-N 2.89Å; Q278-K280 VanDerWaalsContact C-N 3.3Å; Q278-K280 PolarHBondContact O-N 3.28Å; K280-T283 WeakPolarHBondContact CA-OG1 3.14Å; K280-T283 PolarHBondContact O-OG1 3.44Å; K280-L284 WeakPolarHBondContact O-CB 3.36Å; K280-L284 PolarHBondContact O-N 3.38Å |
| 281 | E | 92 | Very high | 92.4 | Very high | 21 Ų | 21 | 36.5 Ų | 36.5 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.8 | -44.3 | 178.1 | -69.7 | -54.8 | 140.8 | 0 | 0 | 112.3 | T21 L25 R77 F277 Q278 T283 L284 F285 | T21-E281 HydrophobicContact CG2-CB 4.44Å; T21-E281 HydrophobicContact CG2-CG 4.29Å; L25-E281 HydrophobicContact CD1-CB 3.83Å; R77-E281 IonicContact CZ-OE2 3.38Å; R77-E281 IonicContact NH2-OE2 2.98Å; R77-E281 PolarHBondContact NH2-OE2 2.87Å; F277-E281 HydrophobicContact CE1-CG 4.09Å; F277-E281 HydrophobicContact CE2-CG 4.14Å; F277-E281 HydrophobicContact CZ-CG 3.85Å; F277-E281 PolarHBondContact O-N 3.29Å; Q278-E281 PolarHBondContact O-N 2.93Å; Q278-E281 VanDerWaalsContact O-N 3.11Å; E281-T283 PolarHBondContact O-N 2.93Å; E281-L284 PolarHBondContact O-N 3.45Å; E281-F285 PolarHBondContact O-N 3.29Å |
| 282 | V | 92.9 | Very high | 92.8 | Very high | 65 Ų | 65 | 32 Ų | 32 | 39% | 0.394 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -58 | -49.3 | 174.8 | 173.5 | 0 | 0 | 0 | 0 | 111 | F20 Q278 L284 F285 L286 | F20-V282 HydrophobicContact CD1-CG2 4.38Å; F20-V282 HydrophobicContact CE1-CG2 3.38Å; F20-V282 HydrophobicContact CZ-CG2 3.59Å; Q278-V282 WeakPolarHBondContact O-CG2 3.32Å; Q278-V282 PolarHBondContact O-N 3.34Å; V282-L284 VanDerWaalsContact C-N 3.33Å; V282-L284 PolarHBondContact O-N 2.82Å; V282-F285 WeakPolarHBondContact O-CB 3.41Å; V282-F285 PolarHBondContact O-N 2.91Å; V282-L286 PolarHBondContact O-N 2.84Å |
| 283 | T | 95.9 | Very high | 93 | Very high | 16 Ų | 16 | 32.7 Ų | 32.7 | 10% | 0.098 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -72.3 | -28.1 | -178.5 | 54 | 0 | 0 | 0 | 0 | 112.6 | P250 C254 A279 K280 E281 L286 S287 | P250-T283 HydrophobicContact CB-CG2 3.61Å; C254-T283 HydrophobicContact CB-CG2 4.44Å; A279-T283 WeakPolarHBondContact O-CB 3.34Å; A279-T283 WeakPolarHBondContact O-CG2 3.34Å; A279-T283 PolarHBondContact O-N 3Å; A279-T283 PolarHBondContact O-OG1 3.44Å; K280-T283 WeakPolarHBondContact CA-OG1 3.14Å; K280-T283 PolarHBondContact O-OG1 3.44Å; E281-T283 PolarHBondContact O-N 2.93Å; T283-L286 WeakPolarHBondContact O-CB 3.38Å; T283-L286 PolarHBondContact O-N 2.87Å; T283-S287 PolarHBondContact O-N 3.48Å |
| 284 | L | 95.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.6 | -39 | 171.4 | -179 | 58.4 | 0 | 0 | 0 | 111.7 | F101 Y102 Y251 K280 E281 V282 L286 S287 A288 | F101-L284 HydrophobicContact CD1-CD1 4.35Å; F101-L284 HydrophobicContact CE1-CD1 3.38Å; F101-L284 HydrophobicContact CE1-CG 4.32Å; F101-L284 HydrophobicContact CZ-CD1 3.81Å; F101-L284 HydrophobicContact CZ-CG 4.44Å; Y102-L284 HydrophobicContact CE1-CD1 3.84Å; Y102-L284 WeakPolarHBondContact OH-CD2 3.35Å; Y251-L284 HydrophobicContact CD2-CB 3.76Å; Y251-L284 HydrophobicContact CD2-CD1 3.97Å; Y251-L284 HydrophobicContact CD2-CG 4.47Å; Y251-L284 HydrophobicContact CE1-CD1 4.48Å; Y251-L284 HydrophobicContact CE2-CB 3.81Å; Y251-L284 HydrophobicContact CE2-CD1 3.61Å; Y251-L284 HydrophobicContact CE2-CD2 4.49Å; Y251-L284 HydrophobicContact CE2-CG 4.18Å; K280-L284 WeakPolarHBondContact O-CB 3.36Å; K280-L284 PolarHBondContact O-N 3.38Å; E281-L284 PolarHBondContact O-N 3.45Å; V282-L284 VanDerWaalsContact C-N 3.33Å; V282-L284 PolarHBondContact O-N 2.82Å; L284-L286 VanDerWaalsContact C-N 3.33Å; L284-S287 WeakPolarHBondContact O-CB 3.06Å; L284-S287 PolarHBondContact O-N 2.81Å; L284-A288 PolarHBondContact O-N 3.16Å |
| 285 | F | 95.9 | Very high | 93.4 | Very high | 24 Ų | 24 | 27.4 Ų | 27.4 | 11% | 0.105 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.3 | -41.6 | 169.9 | 171.1 | -97.9 | 0 | 0 | 0 | 111.5 | L25 L28 Y29 I32 E281 V282 S287 A288 L289 | L25-F285 HydrophobicContact CD2-CB 3.93Å; L25-F285 HydrophobicContact CD2-CG 4.22Å; L28-F285 HydrophobicContact CB-CD2 4.13Å; L28-F285 HydrophobicContact CB-CE1 4.35Å; L28-F285 HydrophobicContact CB-CE2 3.45Å; L28-F285 VanDerWaalsContact CB-CE2 3.45Å; L28-F285 HydrophobicContact CB-CZ 3.59Å; L28-F285 HydrophobicContact CD1-CD1 4.4Å; L28-F285 HydrophobicContact CD1-CE1 4.06Å; L28-F285 HydrophobicContact CD1-CE2 4.49Å; L28-F285 HydrophobicContact CD1-CZ 4.12Å; L28-F285 HydrophobicContact CD2-CZ 4.37Å; L28-F285 HydrophobicContact CG-CZ 4.25Å; Y29-F285 HydrophobicContact CD2-CD2 4.02Å; Y29-F285 HydrophobicContact CE2-CB 4.24Å; Y29-F285 AromaticContact CE2-CD2 3.87Å; Y29-F285 HydrophobicContact CE2-CD2 3.87Å; Y29-F285 HydrophobicContact CG-CD2 4.4Å; I32-F285 HydrophobicContact CD1-CD2 4.06Å; I32-F285 HydrophobicContact CD1-CE2 3.52Å; I32-F285 HydrophobicContact CD1-CZ 4.25Å; I32-F285 HydrophobicContact CG1-CE2 3.89Å; I32-F285 HydrophobicContact CG2-CE2 4Å; I32-F285 HydrophobicContact CG2-CZ 3.81Å; E281-F285 PolarHBondContact O-N 3.29Å; V282-F285 WeakPolarHBondContact O-CB 3.41Å; V282-F285 PolarHBondContact O-N 2.91Å; F285-S287 VanDerWaalsContact C-N 3.28Å; F285-S287 PolarHBondContact O-N 3.39Å; F285-A288 CarbonylContact O-C 3.53Å; F285-A288 WeakPolarHBondContact O-CA 3.22Å; F285-A288 WeakPolarHBondContact O-CB 3.33Å; F285-A288 PolarHBondContact O-N 3.19Å; F285-L289 HydrophobicContact CD1-CD1 4.38Å; F285-L289 HydrophobicContact CE1-CD1 3.77Å; F285-L289 HydrophobicContact CE1-CD2 4.45Å; F285-L289 HydrophobicContact CE1-CG 3.99Å; F285-L289 HydrophobicContact CZ-CD1 4.27Å; F285-L289 HydrophobicContact CZ-CD2 4.14Å; F285-L289 HydrophobicContact CZ-CG 4.04Å; F285-L289 PolarHBondContact O-N 2.94Å |
| 286 | L | 96.3 | Very high | 93.2 | Very high | 47 Ų | 47 | 26.8 Ų | 26.8 | 25% | 0.246 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.6 | -35.7 | 174.7 | -173.5 | 57.9 | 0 | 0 | 0 | 112.6 | I246 C247 P250 V282 T283 L284 L289 | I246-L286 HydrophobicContact CG2-CD1 3.88Å; I246-L286 HydrophobicContact CG2-CG 4.45Å; I246-L286 WeakPolarHBondContact O-CD2 3.19Å; I246-L286 VanDerWaalsContact O-CG 3.24Å; I246-L286 WeakPolarHBondContact O-CG 3.45Å; C247-L286 WeakPolarHBondContact CA-O 3.18Å; P250-L286 HydrophobicContact CB-CD2 4.21Å; P250-L286 HydrophobicContact CG-CD2 3.91Å; V282-L286 PolarHBondContact O-N 2.84Å; T283-L286 WeakPolarHBondContact O-CB 3.38Å; T283-L286 PolarHBondContact O-N 2.87Å; L284-L286 VanDerWaalsContact C-N 3.33Å; L286-L289 HydrophobicContact CD1-CD1 3.78Å; L286-L289 WeakPolarHBondContact O-CB 3.43Å; L286-L289 PolarHBondContact O-N 2.82Å |
| 287 | S | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65 | -39.9 | 170.3 | -173.7 | 0 | 0 | 0 | 0 | 112 | M105 C247 F248 T283 L284 F285 L289 N290 | M105-S287 PolarHBondContact SD-OG 3.46Å; C247-S287 WeakPolarHBondContact O-CA 3.08Å; C247-S287 WeakPolarHBondContact O-CB 3.35Å; C247-S287 PolarHBondContact O-N 3.04Å; F248-S287 WeakPolarHBondContact CD1-OG 3.5Å; T283-S287 PolarHBondContact O-N 3.48Å; L284-S287 WeakPolarHBondContact O-CB 3.06Å; L284-S287 PolarHBondContact O-N 2.81Å; F285-S287 VanDerWaalsContact C-N 3.28Å; F285-S287 PolarHBondContact O-N 3.39Å; S287-L289 VanDerWaalsContact C-N 3.29Å; S287-L289 PolarHBondContact O-N 2.86Å; S287-N290 WeakPolarHBondContact O-CB 3.43Å; S287-N290 PolarHBondContact O-N 3.07Å |
| 288 | A | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.9 | -28.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y29 I32 F74 F101 L284 F285 N290 V291 | Y29-A288 HydrophobicContact CE1-CB 3.63Å; I32-A288 HydrophobicContact CD1-CB 3.91Å; F74-A288 HydrophobicContact CE1-CB 4.3Å; F74-A288 HydrophobicContact CZ-CB 3.86Å; F101-A288 HydrophobicContact CE2-CB 3.94Å; F101-A288 HydrophobicContact CZ-CB 4.02Å; L284-A288 PolarHBondContact O-N 3.16Å; F285-A288 CarbonylContact O-C 3.53Å; F285-A288 WeakPolarHBondContact O-CA 3.22Å; F285-A288 WeakPolarHBondContact O-CB 3.33Å; F285-A288 PolarHBondContact O-N 3.19Å; A288-N290 PolarHBondContact O-N 3.3Å; A288-N290 VanDerWaalsContact O-N 3.08Å; A288-V291 VanDerWaalsContact O-CG2 3.27Å; A288-V291 WeakPolarHBondContact O-CG2 3.39Å; A288-V291 PolarHBondContact O-N 2.89Å |
| 289 | L | 96.2 | Very high | 92.4 | Very high | 47 Ų | 47 | 24.7 Ų | 24.7 | 25% | 0.246 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -19.8 | 174 | -81.7 | 170.1 | 0 | 0 | 0 | 113.3 | I32 F285 L286 S287 V291 C292 L293 | I32-L289 HydrophobicContact CB-CD2 4.27Å; I32-L289 HydrophobicContact CG2-CD2 3.39Å; I32-L289 HydrophobicContact CG2-CG 4.44Å; F285-L289 HydrophobicContact CD1-CD1 4.38Å; F285-L289 HydrophobicContact CE1-CD1 3.77Å; F285-L289 HydrophobicContact CE1-CD2 4.45Å; F285-L289 HydrophobicContact CE1-CG 3.99Å; F285-L289 HydrophobicContact CZ-CD1 4.27Å; F285-L289 HydrophobicContact CZ-CD2 4.14Å; F285-L289 HydrophobicContact CZ-CG 4.04Å; F285-L289 PolarHBondContact O-N 2.94Å; L286-L289 HydrophobicContact CD1-CD1 3.78Å; L286-L289 WeakPolarHBondContact O-CB 3.43Å; L286-L289 PolarHBondContact O-N 2.82Å; S287-L289 VanDerWaalsContact C-N 3.29Å; S287-L289 PolarHBondContact O-N 2.86Å; L289-V291 PolarHBondContact O-N 3.43Å; L289-V291 VanDerWaalsContact O-N 3.16Å; L289-C292 WeakPolarHBondContact O-CB 3.41Å; L289-C292 PolarHBondContact O-N 2.88Å; L289-L293 PolarHBondContact O-N 3.27Å |
| 290 | N | 95.5 | Very high | 91.8 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.011 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -50.7 | -38.8 | 175.6 | -176.4 | 70.7 | 0 | 0 | 0 | 113 | V243 C247 F248 S287 A288 C292 L293 D294 | V243-N290 VanDerWaalsContact CG1-OD1 3.24Å; V243-N290 WeakPolarHBondContact CG1-OD1 3.45Å; C247-N290 HydrophobicContact CB-CB 4.09Å; F248-N290 HydrophobicContact CE1-CB 4.32Å; F248-N290 HydrophobicContact CE2-CB 4.45Å; F248-N290 HydrophobicContact CZ-CB 3.76Å; F248-N290 WeakPolarHBondContact CZ-OD1 3.34Å; S287-N290 WeakPolarHBondContact O-CB 3.43Å; S287-N290 PolarHBondContact O-N 3.07Å; A288-N290 PolarHBondContact O-N 3.3Å; A288-N290 VanDerWaalsContact O-N 3.08Å; N290-C292 PolarHBondContact O-N 3.48Å; N290-L293 PolarHBondContact O-N 3.25Å; N290-D294 VanDerWaalsContact ND2-CG 3.33Å; N290-D294 PolarHBondContact ND2-OD2 3.48Å; N290-D294 PolarHBondContact O-N 3.1Å; N290-D294 PolarHBondContact OD1-OD1 3.44Å |
| 291 | V | 96.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.4 | -23.6 | 179.6 | -54.9 | 0 | 0 | 0 | 0 | 112.9 | N40 D67 M70 L71 F74 A288 L289 P295 | N40-V291 PolarHBondContact ND2-O 2.96Å; D67-V291 HydrophobicContact CB-CB 4.43Å; D67-V291 HydrophobicContact CB-CG1 4.28Å; M70-V291 HydrophobicContact CB-CG1 4.23Å; M70-V291 HydrophobicContact CG-CG1 4.18Å; M70-V291 HydrophobicContact SD-CG1 3.59Å; M70-V291 VanDerWaalsContact SD-CG1 3.59Å; L71-V291 HydrophobicContact CD1-CB 4.44Å; L71-V291 HydrophobicContact CD2-CB 4.35Å; L71-V291 HydrophobicContact CD2-CG2 3.76Å; L71-V291 HydrophobicContact CG-CB 4.24Å; L71-V291 HydrophobicContact CG-CG1 4.38Å; L71-V291 HydrophobicContact CG-CG2 4.19Å; F74-V291 HydrophobicContact CE2-CG2 4.28Å; F74-V291 HydrophobicContact CZ-CG2 4.25Å; A288-V291 VanDerWaalsContact O-CG2 3.27Å; A288-V291 WeakPolarHBondContact O-CG2 3.39Å; A288-V291 PolarHBondContact O-N 2.89Å; L289-V291 PolarHBondContact O-N 3.43Å; L289-V291 VanDerWaalsContact O-N 3.16Å; V291-P295 WeakPolarHBondContact O-CD 3.44Å |
| 292 | C | 95.1 | Very high | 90.2 | Very high | 18 Ų | 18 | 24.2 Ų | 24.2 | 12% | 0.122 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -88.9 | -24.8 | 175 | -63.8 | 0 | 0 | 0 | 0 | 112.6 | I32 V35 L289 N290 | I32-C292 PolarHBondContact O-SG 3.29Å; I32-C292 VanDerWaalsContact O-SG 3.36Å; V35-C292 HydrophobicContact CG1-CB 4.46Å; L289-C292 WeakPolarHBondContact O-CB 3.41Å; L289-C292 PolarHBondContact O-N 2.88Å; N290-C292 PolarHBondContact O-N 3.48Å |
| 293 | L | 93.4 | Very high | 89.4 | Confident | 60 Ų | 60 | 24.6 Ų | 24.6 | 31% | 0.314 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -92.7 | -27.7 | -175.6 | -61.5 | -178.8 | 0 | 0 | 0 | 113.1 | V243 L289 N290 V296 I297 | V243-L293 HydrophobicContact CG1-CB 3.89Å; V243-L293 HydrophobicContact CG1-CD1 4.35Å; V243-L293 HydrophobicContact CG2-CB 3.83Å; V243-L293 HydrophobicContact CG2-CD1 4.25Å; L289-L293 PolarHBondContact O-N 3.27Å; N290-L293 PolarHBondContact O-N 3.25Å; L293-V296 WeakPolarHBondContact O-CA 3.42Å; L293-V296 WeakPolarHBondContact O-CB 3.43Å; L293-V296 PolarHBondContact O-N 3.23Å; L293-I297 PolarHBondContact O-N 2.95Å |
| 294 | D | 91.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57 | -39 | 175 | -81.4 | -12.4 | 0 | 0 | 0 | 113.8 | M63 D67 N290 V296 I297 Y298 | M63-D294 WeakPolarHBondContact CE-OD2 3.47Å; D67-D294 WeakPolarHBondContact OD2-CB 3.12Å; N290-D294 VanDerWaalsContact ND2-CG 3.33Å; N290-D294 PolarHBondContact ND2-OD2 3.48Å; N290-D294 PolarHBondContact O-N 3.1Å; N290-D294 PolarHBondContact OD1-OD1 3.44Å; D294-V296 PolarHBondContact O-N 2.92Å; D294-V296 VanDerWaalsContact O-N 3.15Å; D294-I297 CarbonylContact O-C 3.42Å; D294-I297 WeakPolarHBondContact O-CA 3.33Å; D294-I297 VanDerWaalsContact O-CB 3.27Å; D294-I297 WeakPolarHBondContact O-CB 3.36Å; D294-I297 PolarHBondContact O-N 3.31Å; D294-I297 WeakPolarHBondContact OD1-CD1 3.42Å; D294-Y298 HydrophobicContact CB-CE1 3.96Å; D294-Y298 HydrophobicContact CB-CE2 4.29Å; D294-Y298 WeakPolarHBondContact O-CD1 2.92Å; D294-Y298 WeakPolarHBondContact O-CE1 3.42Å; D294-Y298 VanDerWaalsContact O-CG 3.23Å; D294-Y298 PolarHBondContact O-N 3.44Å |
| 295 | P | 89.4 | Confident | 87.6 | Confident | 14 Ų | 14 | 28.6 Ų | 28.6 | 9% | 0.091 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -53.1 | -31.2 | 168.7 | -30.2 | 36.7 | 0 | 0 | 0 | 115.5 | L39 V291 Y298 F299 | L39-P295 HydrophobicContact CB-CB 4.02Å; L39-P295 HydrophobicContact CB-CG 3.58Å; L39-P295 HydrophobicContact CD1-CB 4.3Å; L39-P295 HydrophobicContact CD1-CG 4.14Å; L39-P295 HydrophobicContact CG-CG 4.44Å; V291-P295 WeakPolarHBondContact O-CD 3.44Å; P295-Y298 VanDerWaalsContact CA-CD2 3.43Å; P295-Y298 HydrophobicContact CB-CD2 4.29Å; P295-Y298 HydrophobicContact CG-CD2 4.38Å; P295-Y298 HydrophobicContact CG-CE2 4.23Å; P295-Y298 WeakPolarHBondContact O-CB 3.39Å; P295-Y298 PolarHBondContact O-N 2.75Å; P295-F299 PolarHBondContact O-N 2.71Å |
| 296 | V | 85 | Confident | 87.1 | Confident | 72 Ų | 72 | 30.4 Ų | 30.4 | 44% | 0.436 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -68.3 | -42.8 | 172.8 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | L293 D294 Y298 F299 L300 | L293-V296 WeakPolarHBondContact O-CA 3.42Å; L293-V296 WeakPolarHBondContact O-CB 3.43Å; L293-V296 PolarHBondContact O-N 3.23Å; D294-V296 PolarHBondContact O-N 2.92Å; D294-V296 VanDerWaalsContact O-N 3.15Å; V296-Y298 VanDerWaalsContact C-N 3.29Å; V296-Y298 PolarHBondContact O-N 3.03Å; V296-F299 PolarHBondContact O-N 3.32Å; V296-L300 HydrophobicContact CG1-CD1 4.03Å; V296-L300 HydrophobicContact CG1-CG 4.5Å; V296-L300 VanDerWaalsContact O-CG 3.31Å; V296-L300 WeakPolarHBondContact O-CG 3.25Å; V296-L300 PolarHBondContact O-N 3.48Å |
| 297 | I | 84 | Confident | 86.5 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.015 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.5 | -43 | 173.3 | -62.8 | 164.5 | 0 | 0 | 0 | 109.6 | V243 L293 D294 F299 L300 M301 | V243-I297 HydrophobicContact CB-CD1 4Å; V243-I297 HydrophobicContact CG1-CD1 3.98Å; V243-I297 HydrophobicContact CG2-CD1 4.1Å; V243-I297 HydrophobicContact CG2-CG1 4.39Å; L293-I297 PolarHBondContact O-N 2.95Å; D294-I297 CarbonylContact O-C 3.42Å; D294-I297 WeakPolarHBondContact O-CA 3.33Å; D294-I297 VanDerWaalsContact O-CB 3.27Å; D294-I297 WeakPolarHBondContact O-CB 3.36Å; D294-I297 PolarHBondContact O-N 3.31Å; D294-I297 WeakPolarHBondContact OD1-CD1 3.42Å; I297-F299 PolarHBondContact O-N 2.93Å; I297-L300 PolarHBondContact O-N 3.47Å; I297-M301 HydrophobicContact CG2-CE 4.43Å; I297-M301 HydrophobicContact CG2-CG 3.63Å; I297-M301 WeakPolarHBondContact O-CB 3.42Å; I297-M301 WeakPolarHBondContact O-CG 3.19Å; I297-M301 PolarHBondContact O-N 2.93Å |
| 298 | Y | 84.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.1 | -46.3 | 179.7 | -53.9 | -16.4 | 0 | 0 | 0 | 111.8 | A43 F47 L60 M63 V64 D67 D294 P295 V296 L300 M301 C302 | A43-Y298 HydrophobicContact CB-CD2 3.86Å; A43-Y298 HydrophobicContact CB-CE2 4.13Å; F47-Y298 AromaticContact CE2-CD2 3.97Å; F47-Y298 HydrophobicContact CE2-CD2 3.97Å; F47-Y298 AromaticContact CE2-CG 3.9Å; F47-Y298 HydrophobicContact CE2-CG 3.9Å; F47-Y298 HydrophobicContact CZ-CG 4.31Å; L60-Y298 HydrophobicContact CD2-CD1 3.65Å; L60-Y298 HydrophobicContact CD2-CE1 4.01Å; M63-Y298 HydrophobicContact CB-CE1 4.15Å; M63-Y298 WeakPolarHBondContact CB-OH 3.46Å; V64-Y298 HydrophobicContact CG2-CD2 4.16Å; V64-Y298 HydrophobicContact CG2-CE2 3.47Å; V64-Y298 VanDerWaalsContact CG2-CE2 3.47Å; V64-Y298 PolarHBondContact N-OH 3.14Å; D67-Y298 PolarHBondContact OD2-OH 3.48Å; D294-Y298 HydrophobicContact CB-CE1 3.96Å; D294-Y298 HydrophobicContact CB-CE2 4.29Å; D294-Y298 WeakPolarHBondContact O-CD1 2.92Å; D294-Y298 WeakPolarHBondContact O-CE1 3.42Å; D294-Y298 VanDerWaalsContact O-CG 3.23Å; D294-Y298 PolarHBondContact O-N 3.44Å; P295-Y298 VanDerWaalsContact CA-CD2 3.43Å; P295-Y298 HydrophobicContact CB-CD2 4.29Å; P295-Y298 HydrophobicContact CG-CD2 4.38Å; P295-Y298 HydrophobicContact CG-CE2 4.23Å; P295-Y298 WeakPolarHBondContact O-CB 3.39Å; P295-Y298 PolarHBondContact O-N 2.75Å; V296-Y298 VanDerWaalsContact C-N 3.29Å; V296-Y298 PolarHBondContact O-N 3.03Å; Y298-L300 PolarHBondContact O-N 2.9Å; Y298-M301 PolarHBondContact O-N 3.28Å; Y298-C302 WeakPolarHBondContact O-CB 3.44Å; Y298-C302 PolarHBondContact O-N 3.3Å |
| 299 | F | 83.4 | Confident | 84.9 | Confident | 72 Ų | 72 | 36.1 Ų | 36.1 | 32% | 0.316 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62 | -41.3 | 177.7 | -178.1 | -95 | 0 | 0 | 0 | 113 | P295 V296 I297 F305 R306 L309 | P295-F299 PolarHBondContact O-N 2.71Å; V296-F299 PolarHBondContact O-N 3.32Å; I297-F299 PolarHBondContact O-N 2.93Å; F299-F305 HydrophobicContact CB-CD1 4.49Å; F299-F305 HydrophobicContact CB-CE1 4.24Å; F299-R306 HydrophobicContact CD2-CB 4.27Å; F299-R306 HydrophobicContact CD2-CG 4.02Å; F299-R306 HydrophobicContact CE1-CG 4.48Å; F299-R306 HydrophobicContact CE2-CB 4.3Å; F299-R306 HydrophobicContact CE2-CG 3.57Å; F299-R306 HydrophobicContact CZ-CG 3.82Å; F299-L309 HydrophobicContact CD2-CD2 3.83Å; F299-L309 HydrophobicContact CE2-CD2 4.17Å |
| 300 | L | 78.9 | Confident | 84.5 | Confident | 46 Ų | 46 | 38.6 Ų | 38.6 | 24% | 0.241 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -78.3 | -33.6 | -178.9 | -65.1 | 175.7 | 0 | 0 | 0 | 112.6 | S239 V296 I297 Y298 | S239-L300 WeakPolarHBondContact OG-CD1 3.23Å; V296-L300 HydrophobicContact CG1-CD1 4.03Å; V296-L300 HydrophobicContact CG1-CG 4.5Å; V296-L300 VanDerWaalsContact O-CG 3.31Å; V296-L300 WeakPolarHBondContact O-CG 3.25Å; V296-L300 PolarHBondContact O-N 3.48Å; I297-L300 PolarHBondContact O-N 3.47Å; Y298-L300 PolarHBondContact O-N 2.9Å |
| 301 | M | 76 | Confident | 84 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 6% | 0.059 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -91.4 | -25.5 | -171 | -67.6 | -67 | 177.4 | 0 | 0 | 114.4 | M56 R119 S236 L240 I297 Y298 | M56-M301 HydrophobicContact SD-CB 4.42Å; R119-M301 VanDerWaalsContact CZ-SD 3.54Å; R119-M301 PolarHBondContact NE-SD 3.25Å; R119-M301 PolarHBondContact NH2-O 3.42Å; R119-M301 PolarHBondContact NH2-SD 2.92Å; S236-M301 VanDerWaalsContact CB-CE 3.44Å; S236-M301 WeakPolarHBondContact CB-SD 3.41Å; S236-M301 WeakPolarHBondContact O-CE 3.1Å; S236-M301 PolarHBondContact OG-SD 3.34Å; S236-M301 VanDerWaalsContact OG-SD 3.39Å; L240-M301 HydrophobicContact CB-CE 4.04Å; L240-M301 HydrophobicContact CD1-CE 4.14Å; I297-M301 HydrophobicContact CG2-CE 4.43Å; I297-M301 HydrophobicContact CG2-CG 3.63Å; I297-M301 WeakPolarHBondContact O-CB 3.42Å; I297-M301 WeakPolarHBondContact O-CG 3.19Å; I297-M301 PolarHBondContact O-N 2.93Å; Y298-M301 PolarHBondContact O-N 3.28Å |
| 302 | C | 74.9 | Confident | 83.2 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | trans | -120.8 | 107.1 | -174 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | F47 L60 Y298 K304 F305 R306 | F47-C302 HydrophobicContact CE1-CB 4.22Å; F47-C302 HydrophobicContact CZ-CB 4.35Å; L60-C302 HydrophobicContact CD1-CB 3.8Å; Y298-C302 WeakPolarHBondContact O-CB 3.44Å; Y298-C302 PolarHBondContact O-N 3.3Å; C302-K304 PolarHBondContact O-N 3.07Å; C302-F305 HydrophobicContact CB-CB 3.7Å; C302-F305 WeakPolarHBondContact O-CB 3.37Å; C302-F305 PolarHBondContact O-N 2.62Å; C302-F305 PolarHBondContact SG-N 3.31Å; C302-R306 PolarHBondContact O-N 3.03Å | ||
| 303 | T | 76.2 | Confident | 82.5 | Confident | 73 Ų | 73 | 55.5 Ų | 55.5 | 45% | 0.448 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 176.8 | -52.1 | 0 | 0 | 0 | 0 | 112.2 | F305 R306 E307 | T303-F305 VanDerWaalsContact C-N 3.31Å; T303-F305 PolarHBondContact O-N 3.25Å; T303-R306 PolarHBondContact O-N 3.34Å; T303-E307 HydrophobicContact CG2-CG 4.24Å; T303-E307 WeakPolarHBondContact CG2-OE1 3.18Å; T303-E307 WeakPolarHBondContact O-CB 3.34Å; T303-E307 WeakPolarHBondContact O-CG 3.35Å; T303-E307 PolarHBondContact O-N 3.49Å |
| 304 | K | 76.1 | Confident | 81.2 | Confident | 94 Ų | 94 | 58.6 Ų | 58.6 | 41% | 0.409 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 178 | -65.7 | -172.6 | -179.3 | -179.5 | 0 | 111.4 | V50 D53 C302 S308 | V50-K304 HydrophobicContact CG1-CB 4.27Å; V50-K304 HydrophobicContact CG1-CD 3.66Å; D53-K304 IonicContact OD2-NZ 2.76Å; D53-K304 PolarHBondContact OD2-NZ 3.05Å; C302-K304 PolarHBondContact O-N 3.07Å; K304-S308 WeakPolarHBondContact O-CB 3.46Å; K304-S308 PolarHBondContact O-N 3.19Å |
| 305 | F | 77.8 | Confident | 79.4 | Confident | 8 Ų | 8 | 70.6 Ų | 70.6 | 4% | 0.035 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.2 | -52.3 | 175 | 177.9 | -89.2 | 0 | 0 | 0 | 111.2 | A43 I46 F47 F299 C302 T303 E307 S308 L309 | A43-F305 HydrophobicContact CB-CE2 3.8Å; A43-F305 HydrophobicContact CB-CZ 4.2Å; I46-F305 HydrophobicContact CB-CD2 4.07Å; I46-F305 HydrophobicContact CB-CE2 4.19Å; I46-F305 HydrophobicContact CD1-CD2 4.19Å; I46-F305 HydrophobicContact CD1-CE2 3.9Å; I46-F305 HydrophobicContact CD1-CZ 4.27Å; I46-F305 HydrophobicContact CG2-CD2 3.7Å; I46-F305 HydrophobicContact CG2-CE2 4.31Å; I46-F305 HydrophobicContact CG2-CG 4.39Å; F47-F305 HydrophobicContact CD1-CD2 4.36Å; F47-F305 AromaticContact CD2-CD2 3.95Å; F47-F305 HydrophobicContact CD2-CD2 3.95Å; F47-F305 HydrophobicContact CD2-CE2 4.15Å; F47-F305 HydrophobicContact CE1-CB 3.92Å; F47-F305 AromaticContact CE1-CD2 3.9Å; F47-F305 HydrophobicContact CE1-CD2 3.9Å; F47-F305 HydrophobicContact CE1-CG 4.29Å; F47-F305 AromaticContact CE2-CD2 3.46Å; F47-F305 HydrophobicContact CE2-CD2 3.46Å; F47-F305 VanDerWaalsContact CE2-CD2 3.46Å; F47-F305 AromaticContact CE2-CE2 3.72Å; F47-F305 HydrophobicContact CE2-CE2 3.72Å; F47-F305 HydrophobicContact CE2-CG 4.3Å; F47-F305 HydrophobicContact CG-CD2 4.37Å; F47-F305 HydrophobicContact CZ-CB 3.92Å; F47-F305 AromaticContact CZ-CD2 3.43Å; F47-F305 HydrophobicContact CZ-CD2 3.43Å; F47-F305 VanDerWaalsContact CZ-CD2 3.43Å; F47-F305 HydrophobicContact CZ-CE2 4.13Å; F47-F305 AromaticContact CZ-CG 3.86Å; F47-F305 HydrophobicContact CZ-CG 3.86Å; F299-F305 HydrophobicContact CB-CD1 4.49Å; F299-F305 HydrophobicContact CB-CE1 4.24Å; C302-F305 HydrophobicContact CB-CB 3.7Å; C302-F305 WeakPolarHBondContact O-CB 3.37Å; C302-F305 PolarHBondContact O-N 2.62Å; C302-F305 PolarHBondContact SG-N 3.31Å; T303-F305 VanDerWaalsContact C-N 3.31Å; T303-F305 PolarHBondContact O-N 3.25Å; F305-E307 VanDerWaalsContact C-N 3.34Å; F305-E307 PolarHBondContact O-N 3.13Å; F305-S308 PolarHBondContact O-N 3.25Å; F305-L309 HydrophobicContact CE1-CD2 4.13Å; F305-L309 WeakPolarHBondContact O-CB 3.39Å; F305-L309 PolarHBondContact O-N 3.01Å |
| 306 | R | 83.9 | Confident | 77.5 | Confident | 62 Ų | 62 | 72.8 Ų | 72.8 | 23% | 0.234 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57 | -46 | 179.8 | 179.4 | 171.4 | 70.6 | -154.9 | -4.3 | 112.1 | F299 C302 T303 L309 L310 | F299-R306 HydrophobicContact CD2-CB 4.27Å; F299-R306 HydrophobicContact CD2-CG 4.02Å; F299-R306 HydrophobicContact CE1-CG 4.48Å; F299-R306 HydrophobicContact CE2-CB 4.3Å; F299-R306 HydrophobicContact CE2-CG 3.57Å; F299-R306 HydrophobicContact CZ-CG 3.82Å; C302-R306 PolarHBondContact O-N 3.03Å; T303-R306 PolarHBondContact O-N 3.34Å; R306-L309 PolarHBondContact O-N 2.88Å; R306-L310 HydrophobicContact CG-CD1 3.82Å; R306-L310 HydrophobicContact CG-CG 4.35Å; R306-L310 WeakPolarHBondContact O-CB 3.3Å; R306-L310 VanDerWaalsContact O-CG 3.23Å; R306-L310 WeakPolarHBondContact O-CG 3.4Å; R306-L310 PolarHBondContact O-N 3.41Å |
| 307 | E | 83.8 | Confident | 75.8 | Confident | 101 Ų | 101 | 82 Ų | 82 | 47% | 0.472 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 178.6 | -73.5 | 177.4 | -172.8 | 0 | 0 | 112.4 | T303 F305 K311 | T303-E307 HydrophobicContact CG2-CG 4.24Å; T303-E307 WeakPolarHBondContact CG2-OE1 3.18Å; T303-E307 WeakPolarHBondContact O-CB 3.34Å; T303-E307 WeakPolarHBondContact O-CG 3.35Å; T303-E307 PolarHBondContact O-N 3.49Å; F305-E307 VanDerWaalsContact C-N 3.34Å; F305-E307 PolarHBondContact O-N 3.13Å; E307-K311 WeakPolarHBondContact O-CB 3.44Å; E307-K311 VanDerWaalsContact O-CG 3.23Å; E307-K311 WeakPolarHBondContact O-CG 3.42Å; E307-K311 PolarHBondContact O-N 3.27Å |
| 308 | S | 78.9 | Confident | 74.2 | Confident | 34 Ų | 34 | 85.3 Ų | 85.3 | 24% | 0.238 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 176.4 | -169.2 | 0 | 0 | 0 | 0 | 111.7 | K304 F305 K312 | K304-S308 WeakPolarHBondContact O-CB 3.46Å; K304-S308 PolarHBondContact O-N 3.19Å; F305-S308 PolarHBondContact O-N 3.25Å; S308-K312 WeakPolarHBondContact O-CD 3.24Å; S308-K312 WeakPolarHBondContact O-CG 3.24Å |
| 309 | L | 82.6 | Confident | 72 | Confident | 31 Ų | 31 | 88.7 Ų | 88.7 | 16% | 0.162 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -64.5 | -49.5 | 176.2 | -175.4 | 66.4 | 0 | 0 | 0 | 111.4 | L42 I46 F299 F305 R306 K311 K312 L313 | L42-L309 HydrophobicContact CD2-CD1 3.65Å; L42-L309 HydrophobicContact CG-CD1 4.33Å; I46-L309 HydrophobicContact CD1-CB 4.08Å; I46-L309 HydrophobicContact CD1-CD1 4.12Å; F299-L309 HydrophobicContact CD2-CD2 3.83Å; F299-L309 HydrophobicContact CE2-CD2 4.17Å; F305-L309 HydrophobicContact CE1-CD2 4.13Å; F305-L309 WeakPolarHBondContact O-CB 3.39Å; F305-L309 PolarHBondContact O-N 3.01Å; R306-L309 PolarHBondContact O-N 2.88Å; L309-K311 VanDerWaalsContact C-N 3.27Å; L309-K311 PolarHBondContact O-N 3.4Å; L309-K312 WeakPolarHBondContact O-CA 3.37Å; L309-K312 WeakPolarHBondContact O-CB 3.44Å; L309-K312 PolarHBondContact O-N 2.93Å; L309-L313 HydrophobicContact CD1-CD1 4.01Å; L309-L313 HydrophobicContact CG-CD1 3.85Å; L309-L313 WeakPolarHBondContact O-CD1 3.35Å; L309-L313 PolarHBondContact O-N 3.39Å; L309-L313 VanDerWaalsContact O-N 3.16Å |
| 310 | L | 86.1 | Confident | 69.9 | Low | 99 Ų | 99 | 91.4 Ų | 91.4 | 52% | 0.518 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.7 | -30.1 | -180 | -71.2 | 173.5 | 0 | 0 | 0 | 113.1 | R306 K312 | R306-L310 HydrophobicContact CG-CD1 3.82Å; R306-L310 HydrophobicContact CG-CG 4.35Å; R306-L310 WeakPolarHBondContact O-CB 3.3Å; R306-L310 VanDerWaalsContact O-CG 3.23Å; R306-L310 WeakPolarHBondContact O-CG 3.4Å; R306-L310 PolarHBondContact O-N 3.41Å; L310-K312 PolarHBondContact O-N 3.11Å |
| 311 | K | 85.3 | Confident | 68.2 | Low | 172 Ų | 172 | 99.2 Ų | 99.2 | 75% | 0.748 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -17.3 | 172.1 | -76.7 | 171.2 | -177.2 | 177.2 | 0 | 113.2 | E307 L309 | E307-K311 WeakPolarHBondContact O-CB 3.44Å; E307-K311 VanDerWaalsContact O-CG 3.23Å; E307-K311 WeakPolarHBondContact O-CG 3.42Å; E307-K311 PolarHBondContact O-N 3.27Å; L309-K311 VanDerWaalsContact C-N 3.27Å; L309-K311 PolarHBondContact O-N 3.4Å |
| 312 | K | 80.3 | Confident | 66.4 | Low | 107 Ų | 107 | 109.7 Ų | 109.7 | 47% | 0.465 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.9 | -22 | -173.8 | -73.2 | 174.3 | 171 | -81.7 | 0 | 114.1 | W45 S308 L309 L310 | W45-K312 HydrophobicContact CH2-CD 3.97Å; W45-K312 HydrophobicContact CZ3-CD 3.56Å; S308-K312 WeakPolarHBondContact O-CD 3.24Å; S308-K312 WeakPolarHBondContact O-CG 3.24Å; L309-K312 WeakPolarHBondContact O-CA 3.37Å; L309-K312 WeakPolarHBondContact O-CB 3.44Å; L309-K312 PolarHBondContact O-N 2.93Å; L310-K312 PolarHBondContact O-N 3.11Å |
| 313 | L | 80.9 | Confident | 64.4 | Low | 96 Ų | 96 | 115.1 Ų | 115.1 | 50% | 0.503 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -64.7 | 132 | 168.8 | -85.7 | 75 | 0 | 0 | 0 | 108.1 | L309 R315 | L309-L313 HydrophobicContact CD1-CD1 4.01Å; L309-L313 HydrophobicContact CG-CD1 3.85Å; L309-L313 WeakPolarHBondContact O-CD1 3.35Å; L309-L313 PolarHBondContact O-N 3.39Å; L309-L313 VanDerWaalsContact O-N 3.16Å; L313-R315 PolarHBondContact O-N 3.01Å; L313-R315 VanDerWaalsContact O-N 3.16Å |
| 314 | P | 64.9 | Low | 62.3 | Low | 126 Ų | 126 | 116.4 Ų | 116.4 | 82% | 0.818 | 61% | 0.61 | S | S | * | * | trans | -53.6 | 127.5 | 172.7 | 2.7 | -2.8 | 0 | 0 | 0 | 107.9 | G316 | P314-G316 PolarHBondContact O-N 3.05Š| ||
| 315 | R | 54.2 | Low | 60.3 | Low | 252 Ų | 252 | 119.9 Ų | 119.9 | 95% | 0.951 | 63% | 0.632 | S | S | * | * | trans | -62.7 | 90.1 | 172.3 | -93.3 | 178.8 | 164.3 | 144.9 | -6.2 | 107.8 | L313 R317 | L313-R315 PolarHBondContact O-N 3.01Å; L313-R315 VanDerWaalsContact O-N 3.16Å; R315-R317 PolarHBondContact O-N 3.48Å | ||
| 316 | G | 49.2 | Very low | 58 | Low | 60 Ų | 60 | 125.6 Ų | 125.6 | 62% | 0.619 | 67% | 0.668 | S | S | * | * | trans | -54.3 | 126.3 | 157.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | P314 G318 | P314-G316 PolarHBondContact O-N 3.05Å; G316-G318 PolarHBondContact O-N 2.84Å | ||
| 317 | R | 48.5 | Very low | 55.7 | Low | 265 Ų | 265 | 127.6 Ų | 127.6 | 100% | 1 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -52.8 | 103 | 170.8 | -88.4 | 175.8 | 166.1 | -179.8 | -4.3 | 108.4 | R315 | R315-R317 PolarHBondContact O-N 3.48Š|
| 318 | G | 51.7 | Low | 53.2 | Low | 72 Ų | 72 | 131.7 Ų | 131.7 | 74% | 0.742 | 71% | 0.706 | S | S | * | * | trans | 138.2 | 77.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G316 | G316-G318 PolarHBondContact O-N 2.84Š| ||
| 319 | G | 38.1 | Very low | 51 | Low | 71 Ų | 71 | 138.1 Ų | 138.1 | 73% | 0.732 | 73% | 0.732 | S | S | * | * | trans | -75.2 | 178.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 320 | P | 40.4 | Very low | 48.8 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 84% | 0.844 | 76% | 0.764 | S | S | * | * | trans | -90.3 | 144 | 143.2 | -2 | 21.2 | 0 | 0 | 0 | 109.4 | R322 | P320-R322 PolarHBondContact O-N 3.11Š| ||
| 321 | K | 41.5 | Very low | 46.2 | Very low | 210 Ų | 210 | 144.9 Ų | 144.9 | 91% | 0.913 | 78% | 0.779 | S | S | * | * | trans | -45.1 | 125.4 | 174.9 | -69.4 | 177.1 | 178.2 | 177.7 | 0 | 110.8 | C323 | K321-C323 PolarHBondContact O-N 2.83Å; K321-C323 VanDerWaalsContact O-N 3.12Å | ||
| 322 | R | 39.6 | Very low | 43.7 | Very low | 232 Ų | 232 | 140.6 Ų | 140.6 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | trans | -55.1 | 113.3 | 166.3 | -160.3 | 179.1 | -163.1 | -174.6 | 2.4 | 106.8 | P320 S324 | P320-R322 PolarHBondContact O-N 3.11Å; R322-S324 PolarHBondContact O-N 3.45Å | ||
| 323 | C | 33.2 | Very low | 41.4 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -65.8 | 99.1 | 155.8 | -105.7 | 0 | 0 | 0 | 0 | 105.3 | K321 L325 | K321-C323 PolarHBondContact O-N 2.83Å; K321-C323 VanDerWaalsContact O-N 3.12Å; C323-L325 PolarHBondContact O-N 3.37Å | ||
| 324 | S | 31.3 | Very low | 39.1 | Very low | 100 Ų | 100 | 150.9 Ų | 150.9 | 70% | 0.699 | 83% | 0.826 | S | S | * | * | trans | -57.8 | 101.1 | 164 | 32.7 | 0 | 0 | 0 | 0 | 107.9 | R322 T326 | R322-S324 PolarHBondContact O-N 3.45Å; S324-T326 PolarHBondContact O-N 3.29Å | ||
| 325 | L | 33.3 | Very low | 37.8 | Very low | 167 Ų | 167 | 152.1 Ų | 152.1 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -67.9 | 105.7 | 157.2 | -95.1 | 136.6 | 0 | 0 | 0 | 105.9 | C323 T327 | C323-L325 PolarHBondContact O-N 3.37Å; L325-T327 PolarHBondContact O-N 3.22Å | ||
| 326 | T | 31.5 | Very low | 37 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -63.1 | 121.3 | 165.7 | -16.7 | 0 | 0 | 0 | 0 | 107.4 | S324 E328 | S324-T326 PolarHBondContact O-N 3.29Å; T326-E328 PolarHBondContact O-N 3.12Å | ||
| 327 | T | 34.1 | Very low | 36.3 | Very low | 104 Ų | 104 | 151.7 Ų | 151.7 | 64% | 0.638 | 83% | 0.83 | S | S | * | * | trans | -55.4 | 123.1 | 161.8 | -50.4 | 0 | 0 | 0 | 0 | 108.5 | L325 Q329 | L325-T327 PolarHBondContact O-N 3.22Å; T327-Q329 HydrophobicContact CG2-CG 4.07Å | ||
| 328 | E | 31.4 | Very low | 35.6 | Very low | 187 Ų | 187 | 145 Ų | 145 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -121.6 | 100 | 153.2 | -84.8 | -86 | 112.7 | 0 | 0 | 105.4 | T326 | T326-E328 PolarHBondContact O-N 3.12Š| ||
| 329 | Q | 33.4 | Very low | 34.6 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | -73.3 | 131 | 167.1 | -91.7 | 169.5 | -71.3 | 0 | 0 | 108.4 | T327 | T327-Q329 HydrophobicContact CG2-CG 4.07Š| ||
| 330 | T | 35.2 | Very low | 34.4 | Very low | 136 Ų | 136 | 154.8 Ų | 154.8 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | trans | -48.6 | 131.2 | 160.5 | -40.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 331 | V | 32.2 | Very low | 33.9 | Very low | 136 Ų | 136 | 156.6 Ų | 156.6 | 82% | 0.824 | 83% | 0.831 | S | S | * | * | trans | -145.1 | 133.7 | 141.2 | -176.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 332 | S | 34 | Very low | 33.3 | Very low | 81 Ų | 81 | 152.5 Ų | 152.5 | 57% | 0.566 | 82% | 0.824 | S | S | * | * | trans | -75.2 | 170.5 | 177.7 | 53.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 333 | N | 32 | Very low | 32.8 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | 97.6 | 91.7 | 156.2 | -53.1 | -18.8 | 0 | 0 | 0 | 117.3 | ||||
| 334 | M | 32.4 | Very low | 32.8 | Very low | 270 Ų | 270 | 148 Ų | 148 | 100% | 1.33 | 82% | 0.82 | S | S | * | * | -172.3 | 0 | 97.6 | -97 | -174.7 | -172.3 | 0 | 0 | 109.4 |
Retrieved 334 of 334 residues in 148.7 ms
(Link to these results)