| 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 | 32.5 | Very low | 34.7 | Very low | 235 Ų | 235 | 163 Ų | 163 | 100% | 1.158 | 80% | 0.795 | S | S | * | * | 0 | 83.3 | 0 | -76.8 | 176.4 | -160.6 | 0 | 0 | 104.5 | |||||
| 2 | D | 29.8 | Very low | 36.9 | Very low | 162 Ų | 162 | 153.8 Ų | 153.8 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | trans | -111 | 82.5 | -179.1 | -67.1 | -35.3 | 0 | 0 | 0 | 106.9 | N4 | D2-N4 VanDerWaalsContact C-N 3.26Å; D2-N4 PolarHBondContact O-N 2.85Å | ||
| 3 | E | 33.2 | Very low | 40.2 | Very low | 155 Ų | 155 | 147.3 Ų | 147.3 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | trans | -81 | 84.3 | 159.7 | -73.5 | -174.3 | 165.1 | 0 | 0 | 106.9 | F5 | E3-F5 HydrophobicContact CB-CD2 3.89Å; E3-F5 HydrophobicContact CB-CE2 3.75Å; E3-F5 PolarHBondContact O-N 2.96Å; E3-F5 WeakPolarHBondContact OE2-CE2 3.44Å; E3-F5 WeakPolarHBondContact OE2-CZ 3.35Å | ||
| 4 | N | 32.1 | Very low | 43.9 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 87% | 0.866 | 73% | 0.727 | S | S | * | * | trans | -65.2 | 90.3 | 154.9 | -103 | -7.2 | 0 | 0 | 0 | 106.2 | D2 S6 | D2-N4 VanDerWaalsContact C-N 3.26Å; D2-N4 PolarHBondContact O-N 2.85Å; N4-S6 VanDerWaalsContact C-N 3.3Å; N4-S6 PolarHBondContact O-N 3.23Å | ||
| 5 | F | 29.8 | Very low | 47.3 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 70% | 0.702 | 68% | 0.678 | S | S | * | * | trans | -58 | 97.2 | 167.7 | -85.9 | -90.1 | 0 | 0 | 0 | 107.8 | E3 S7 | E3-F5 HydrophobicContact CB-CD2 3.89Å; E3-F5 HydrophobicContact CB-CE2 3.75Å; E3-F5 PolarHBondContact O-N 2.96Å; E3-F5 WeakPolarHBondContact OE2-CE2 3.44Å; E3-F5 WeakPolarHBondContact OE2-CZ 3.35Å; F5-S7 PolarHBondContact O-N 3.29Å | ||
| 6 | S | 37.3 | Very low | 50.3 | Low | 61 Ų | 61 | 126 Ų | 126 | 43% | 0.427 | 64% | 0.64 | S | S | . | * | trans | -55.1 | 124 | 160.7 | 151.8 | 0 | 0 | 0 | 0 | 106.8 | N4 D8 | N4-S6 VanDerWaalsContact C-N 3.3Å; N4-S6 PolarHBondContact O-N 3.23Å; S6-D8 PolarHBondContact O-N 3.36Å; S6-D8 WeakPolarHBondContact OG-CB 3.31Å; S6-D8 PolarHBondContact OG-N 3.41Å; S6-D8 VanDerWaalsContact OG-N 3.08Å; S6-D8 PolarHBondContact OG-OD2 3.36Å | ||
| 7 | S | 34.8 | Very low | 53 | Low | 114 Ų | 114 | 118.7 Ų | 118.7 | 80% | 0.797 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -64.2 | -0.9 | 174.1 | 112.4 | 0 | 0 | 0 | 0 | 112.2 | F5 M9 | F5-S7 PolarHBondContact O-N 3.29Å; S7-M9 PolarHBondContact O-N 3.05Å |
| 8 | D | 38.3 | Very low | 55.3 | Low | 127 Ų | 127 | 117.2 Ų | 117.2 | 68% | 0.679 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -79.4 | -5.9 | -171.8 | -55.7 | -42 | 0 | 0 | 0 | 115 | S6 | S6-D8 PolarHBondContact O-N 3.36Å; S6-D8 WeakPolarHBondContact OG-CB 3.31Å; S6-D8 PolarHBondContact OG-N 3.41Å; S6-D8 VanDerWaalsContact OG-N 3.08Å; S6-D8 PolarHBondContact OG-OD2 3.36Å |
| 9 | M | 37.2 | Very low | 57.4 | Low | 163 Ų | 163 | 115.6 Ų | 115.6 | 80% | 0.803 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -103.1 | 6.7 | -168.8 | -76.6 | -165.8 | 79.7 | 0 | 0 | 117.2 | S7 | S7-M9 PolarHBondContact O-N 3.05Š|
| 10 | W | 37 | Very low | 59.2 | Low | 207 Ų | 207 | 113.2 Ų | 113.2 | 78% | 0.784 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -125.7 | -11.2 | -173.4 | -65.5 | 63.3 | 0 | 0 | 0 | 116.2 | ||
| 11 | W | 40.1 | Very low | 60.9 | Low | 247 Ų | 247 | 112 Ų | 112 | 94% | 0.936 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -130.4 | 5 | 179.1 | -68.4 | 101.5 | 0 | 0 | 0 | 116.2 | ||
| 12 | G | 61.4 | Low | 63.8 | Low | 52 Ų | 52 | 107.7 Ų | 107.7 | 54% | 0.536 | 56% | 0.555 | S | S | . | * | trans | 69.7 | 164.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 13 | T | 79.6 | Confident | 67 | Low | 70 Ų | 70 | 102.2 Ų | 102.2 | 43% | 0.429 | 52% | 0.523 | S | S | . | . | trans | -64.9 | 171.5 | 176.2 | 64.9 | 0 | 0 | 0 | 0 | 110.9 | G15 R18 E271 | T13-G15 VanDerWaalsContact C-N 3.29Å; T13-G15 PolarHBondContact OG1-N 3.29Å; T13-R18 VanDerWaalsContact C-NH1 3.34Å; T13-R18 PolarHBondContact O-NH1 2.87Å; T13-R18 PolarHBondContact O-NH2 3.07Å; T13-R18 PolarHBondContact OG1-NH1 3.26Å; T13-E271 WeakPolarHBondContact CB-O 3.27Å; T13-E271 WeakPolarHBondContact CG2-O 3.37Å; T13-E271 PolarHBondContact OG1-O 3.36Å | ||
| 14 | L | 91.4 | Very high | 70 | Confident | 89 Ų | 89 | 99.1 Ų | 99.1 | 47% | 0.466 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -97.6 | 27.2 | 168.2 | -69.1 | 171.4 | 0 | 0 | 0 | 111.7 | E272 D273 L274 L275 R276 | L14-E272 CarbonylContact C-O 3.46Å; L14-E272 VanDerWaalsContact CA-O 3.29Å; L14-E272 WeakPolarHBondContact CA-O 3.1Å; L14-E272 PolarHBondContact N-O 3.38Å; L14-D273 CarbonylContact O-C 3.6Å; L14-D273 WeakPolarHBondContact O-CA 3.35Å; L14-L274 PolarHBondContact O-N 2.99Å; L14-L275 VanDerWaalsContact O-CB 3.22Å; L14-L275 WeakPolarHBondContact O-CB 3.38Å; L14-L275 VanDerWaalsContact O-CG 3.3Å; L14-L275 WeakPolarHBondContact O-CG 3.39Å; L14-L275 PolarHBondContact O-N 2.87Å; L14-R276 HydrophobicContact CB-CG 4.4Å; L14-R276 HydrophobicContact CD1-CG 3.66Å |
| 15 | G | 94.6 | Very high | 73.2 | Confident | 0 Ų | 0 | 93.2 Ų | 93.2 | 0% | 0 | 48% | 0.479 | C | S | . | . | trans | -72.6 | 155.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T13 R18 S270 E272 | T13-G15 VanDerWaalsContact C-N 3.29Å; T13-G15 PolarHBondContact OG1-N 3.29Å; G15-R18 PolarHBondContact O-NE 2.8Å; G15-R18 PolarHBondContact O-NH2 3.12Å; G15-S270 CarbonylContact C-O 3.59Å; G15-S270 VanDerWaalsContact CA-O 3.24Å; G15-S270 WeakPolarHBondContact CA-O 3.2Å; G15-E272 PolarHBondContact N-O 3.23Å; G15-E272 VanDerWaalsContact N-O 3.14Å | ||
| 16 | T | 96.5 | Very high | 76.4 | Confident | 12 Ų | 12 | 90.5 Ų | 90.5 | 7% | 0.074 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -89.6 | -28.2 | 173.3 | 56 | 0 | 0 | 0 | 0 | 112.3 | S270 L274 L275 I308 R310 | T16-S270 PolarHBondContact N-O 3.22Å; T16-S270 PolarHBondContact OG1-O 3.49Å; T16-L274 HydrophobicContact CG2-CB 4.05Å; T16-L274 HydrophobicContact CG2-CD2 4.14Å; T16-L274 HydrophobicContact CG2-CG 4.07Å; T16-L274 WeakPolarHBondContact OG1-CD2 3.46Å; T16-L275 HydrophobicContact CG2-CD2 3.74Å; T16-L275 HydrophobicContact CG2-CG 3.94Å; T16-I308 VanDerWaalsContact CB-O 3.23Å; T16-I308 WeakPolarHBondContact CB-O 3.41Å; T16-I308 PolarHBondContact OG1-O 3.17Å; T16-R310 WeakPolarHBondContact O-CG 3.45Å; T16-R310 PolarHBondContact O-NE 3.44Å |
| 17 | I | 95.8 | Very high | 79.3 | Confident | 2 Ų | 2 | 95.5 Ų | 95.5 | 1% | 0.01 | 48% | 0.481 | C | S | . | . | trans | -90.2 | 130.1 | 172.1 | -64.4 | -177.4 | 0 | 0 | 0 | 108.9 | N52 S270 E271 I308 | I17-N52 HydrophobicContact CG2-CB 4.22Å; I17-S270 PolarHBondContact N-O 2.9Å; I17-E271 HydrophobicContact CB-CG 3.91Å; I17-E271 HydrophobicContact CG2-CG 4.02Å; I17-I308 HydrophobicContact CD1-CG1 4.26Å; I17-I308 HydrophobicContact CD1-CG2 4.37Å | ||
| 18 | R | 93.8 | Very high | 82.3 | Confident | 92 Ų | 92 | 90.6 Ų | 90.6 | 35% | 0.347 | 45% | 0.446 | S | S | . | . | trans | -125 | 158.4 | -178.4 | -58.9 | -60.3 | 179 | 161.2 | 8.6 | 110.4 | T13 G15 F20 | T13-R18 VanDerWaalsContact C-NH1 3.34Å; T13-R18 PolarHBondContact O-NH1 2.87Å; T13-R18 PolarHBondContact O-NH2 3.07Å; T13-R18 PolarHBondContact OG1-NH1 3.26Å; G15-R18 PolarHBondContact O-NE 2.8Å; G15-R18 PolarHBondContact O-NH2 3.12Å; R18-F20 PolarHBondContact O-N 3.46Å | ||
| 19 | P | 94.7 | Very high | 85.2 | Confident | 87 Ų | 87 | 84.5 Ų | 84.5 | 57% | 0.565 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 125.8 | 170.6 | -21.7 | 30.3 | 0 | 0 | 0 | 110.4 | ||
| 20 | F | 95 | Very high | 88.1 | Confident | 67 Ų | 67 | 78.7 Ų | 78.7 | 29% | 0.294 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 129.9 | 175.9 | -172 | -101 | 0 | 0 | 0 | 110.2 | R18 N50 R51 Q55 | R18-F20 PolarHBondContact O-N 3.46Å; F20-N50 WeakPolarHBondContact CB-O 3.34Å; F20-N50 WeakPolarHBondContact CD2-O 3.28Å; F20-N50 WeakPolarHBondContact CE2-ND2 3.4Å; F20-R51 VanDerWaalsContact CG-CZ 3.45Å; F20-Q55 VanDerWaalsContact N-NE2 3.14Å; F20-Q55 PolarHBondContact O-NE2 3.35Å |
| 21 | P | 94.1 | Very high | 91.1 | Very high | 89 Ų | 89 | 73 Ų | 73 | 58% | 0.578 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | 151.4 | -179.8 | 29.4 | -34.9 | 0 | 0 | 0 | 111.2 | F23 | P21-F23 PolarHBondContact O-N 3.41Š|
| 22 | N | 93.1 | Very high | 93.8 | Very high | 143 Ų | 143 | 61.2 Ų | 61.2 | 77% | 0.765 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 41.4 | 179.4 | -55.2 | -38.6 | 0 | 0 | 0 | 113.1 | H24 | N22-H24 PolarHBondContact O-CD2 2.9Š|
| 23 | F | 96.4 | Very high | 95.6 | Very high | 48 Ų | 48 | 61.8 Ų | 61.8 | 21% | 0.211 | 32% | 0.321 | C | S | . | . | trans | -68 | 130 | -177.2 | 170.1 | -114.2 | 0 | 0 | 0 | 112.2 | P21 P25 D28 Q55 A58 V59 | P21-F23 PolarHBondContact O-N 3.41Å; F23-P25 HydrophobicContact CE1-CB 3.98Å; F23-P25 HydrophobicContact CE1-CG 4.16Å; F23-P25 HydrophobicContact CE2-CB 4.41Å; F23-P25 HydrophobicContact CZ-CB 3.65Å; F23-P25 HydrophobicContact CZ-CG 4.31Å; F23-D28 WeakPolarHBondContact CD2-OD2 3.24Å; F23-D28 WeakPolarHBondContact CE2-OD2 3.39Å; F23-Q55 HydrophobicContact CD1-CB 4.31Å; F23-Q55 HydrophobicContact CD1-CG 3.68Å; F23-Q55 HydrophobicContact CD2-CB 4.22Å; F23-Q55 HydrophobicContact CD2-CG 4.12Å; F23-Q55 HydrophobicContact CE1-CB 3.97Å; F23-Q55 HydrophobicContact CE1-CG 3.79Å; F23-Q55 HydrophobicContact CE2-CB 3.89Å; F23-Q55 HydrophobicContact CE2-CG 4.22Å; F23-Q55 HydrophobicContact CG-CB 4.41Å; F23-Q55 HydrophobicContact CG-CG 3.84Å; F23-Q55 HydrophobicContact CZ-CB 3.75Å; F23-Q55 HydrophobicContact CZ-CG 4.06Å; F23-Q55 WeakPolarHBondContact CZ-O 3.48Å; F23-A58 HydrophobicContact CE1-CB 3.87Å; F23-A58 HydrophobicContact CZ-CB 4Å; F23-V59 HydrophobicContact CE2-CG2 3.51Å; F23-V59 HydrophobicContact CZ-CG2 3.61Å | ||
| 24 | H | 97.4 | Very high | 96.5 | Very high | 90 Ų | 90 | 60 Ų | 60 | 42% | 0.417 | 31% | 0.313 | S | S | . | . | trans | -128.3 | 99.7 | 176.2 | -65.6 | -67.2 | 0 | 0 | 0 | 109.2 | N22 D26 R27 D28 | N22-H24 PolarHBondContact O-CD2 2.9Å; H24-D26 PolarHBondContact O-N 3.28Å; H24-R27 HydrophobicContact CB-CB 4.2Å; H24-R27 HydrophobicContact CB-CG 4.05Å; H24-R27 PolarHBondContact O-N 2.72Å; H24-R27 VanDerWaalsContact O-N 3.15Å; H24-D28 PolarHBondContact O-N 2.92Å | ||
| 25 | P | 97.9 | Very high | 96.8 | Very high | 38 Ų | 38 | 56 Ų | 56 | 25% | 0.247 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.4 | -35.7 | -173.8 | 21.4 | -32 | 0 | 0 | 0 | 112.4 | F23 R27 D28 A29 A58 | F23-P25 HydrophobicContact CE1-CB 3.98Å; F23-P25 HydrophobicContact CE1-CG 4.16Å; F23-P25 HydrophobicContact CE2-CB 4.41Å; F23-P25 HydrophobicContact CZ-CB 3.65Å; F23-P25 HydrophobicContact CZ-CG 4.31Å; P25-R27 PolarHBondContact O-N 3.18Å; P25-D28 PolarHBondContact O-N 3.02Å; P25-A29 VanDerWaalsContact O-CB 3.31Å; P25-A29 WeakPolarHBondContact O-CB 3.37Å; P25-A29 PolarHBondContact O-N 3.17Å; P25-A58 HydrophobicContact CB-CB 4.24Å |
| 26 | D | 98.3 | Very high | 96.9 | Very high | 103 Ų | 103 | 56.5 Ų | 56.5 | 55% | 0.551 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.5 | -36.6 | -178.8 | -57.1 | -32.5 | 0 | 0 | 0 | 113.5 | H24 A30 S62 Q66 | H24-D26 PolarHBondContact O-N 3.28Å; D26-A30 PolarHBondContact O-N 3.33Å; D26-A30 VanDerWaalsContact O-N 3.12Å; D26-S62 VanDerWaalsContact CA-OG 3.31Å; D26-S62 WeakPolarHBondContact CA-OG 3.49Å; D26-S62 WeakPolarHBondContact OD1-CB 3.29Å; D26-S62 PolarHBondContact OD1-OG 2.81Å; D26-Q66 PolarHBondContact O-NE2 3.14Å; D26-Q66 VanDerWaalsContact O-NE2 3.12Å |
| 27 | R | 97.9 | Very high | 96.9 | Very high | 165 Ų | 165 | 62.4 Ų | 62.4 | 62% | 0.623 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -71.2 | -46.1 | 177.8 | -67.1 | -175.8 | -178.3 | 171 | 1.9 | 110.8 | H24 P25 A29 A30 D31 | H24-R27 HydrophobicContact CB-CB 4.2Å; H24-R27 HydrophobicContact CB-CG 4.05Å; H24-R27 PolarHBondContact O-N 2.72Å; H24-R27 VanDerWaalsContact O-N 3.15Å; P25-R27 PolarHBondContact O-N 3.18Å; R27-A29 VanDerWaalsContact C-N 3.29Å; R27-A29 PolarHBondContact O-N 2.82Å; R27-A30 PolarHBondContact O-N 2.93Å; R27-D31 WeakPolarHBondContact O-CB 3.2Å; R27-D31 PolarHBondContact O-N 3.24Å |
| 28 | D | 98.4 | Very high | 96.9 | Very high | 11 Ų | 11 | 71.9 Ų | 71.9 | 6% | 0.059 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 177.5 | -72 | -22.4 | 0 | 0 | 0 | 111.4 | F23 H24 P25 D31 I32 I47 R51 V59 | F23-D28 WeakPolarHBondContact CD2-OD2 3.24Å; F23-D28 WeakPolarHBondContact CE2-OD2 3.39Å; H24-D28 PolarHBondContact O-N 2.92Å; P25-D28 PolarHBondContact O-N 3.02Å; D28-D31 PolarHBondContact O-N 3.13Å; D28-I32 WeakPolarHBondContact O-CB 3.36Å; D28-I32 WeakPolarHBondContact O-CG1 3.26Å; D28-I32 PolarHBondContact O-N 2.87Å; D28-I47 HydrophobicContact CB-CG2 4.34Å; D28-R51 VanDerWaalsContact CG-NH2 3.26Å; D28-R51 IonicContact OD1-CZ 3.67Å; D28-R51 IonicContact OD1-NE 3.93Å; D28-R51 IonicContact OD1-NH2 3.67Å; D28-R51 PolarHBondContact OD1-NH2 3.33Å; D28-R51 IonicContact OD2-CZ 2.77Å; D28-R51 VanDerWaalsContact OD2-CZ 3.23Å; D28-R51 IonicContact OD2-NE 3.16Å; D28-R51 PolarHBondContact OD2-NE 3.49Å; D28-R51 IonicContact OD2-NH2 2.82Å; D28-R51 PolarHBondContact OD2-NH2 3.39Å; D28-V59 HydrophobicContact CB-CG1 4.08Å; D28-V59 HydrophobicContact CB-CG2 3.65Å |
| 29 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P25 R27 I32 Q33 V59 F63 | P25-A29 VanDerWaalsContact O-CB 3.31Å; P25-A29 WeakPolarHBondContact O-CB 3.37Å; P25-A29 PolarHBondContact O-N 3.17Å; R27-A29 VanDerWaalsContact C-N 3.29Å; R27-A29 PolarHBondContact O-N 2.82Å; A29-I32 PolarHBondContact O-N 3Å; A29-Q33 PolarHBondContact O-N 3.39Å; A29-V59 HydrophobicContact CB-CG1 4.41Å; A29-F63 HydrophobicContact CB-CB 3.99Å |
| 30 | A | 98.4 | Very high | 97 | Very high | 41 Ų | 41 | 74.2 Ų | 74.2 | 34% | 0.339 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D26 R27 Q33 A34 | D26-A30 PolarHBondContact O-N 3.33Å; D26-A30 VanDerWaalsContact O-N 3.12Å; R27-A30 PolarHBondContact O-N 2.93Å; A30-Q33 PolarHBondContact O-N 3.48Å; A30-A34 PolarHBondContact O-N 3.5Å |
| 31 | D | 98.4 | Very high | 97.1 | Very high | 87 Ų | 87 | 71.8 Ų | 71.8 | 47% | 0.465 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 177.6 | -74.9 | -17.2 | 0 | 0 | 0 | 111.6 | R27 D28 A34 A35 I47 | R27-D31 WeakPolarHBondContact O-CB 3.2Å; R27-D31 PolarHBondContact O-N 3.24Å; D28-D31 PolarHBondContact O-N 3.13Å; D31-A34 PolarHBondContact O-N 2.84Å; D31-A35 WeakPolarHBondContact O-CB 3.32Å; D31-A35 PolarHBondContact O-N 3.19Å; D31-I47 HydrophobicContact CB-CD1 3.78Å |
| 32 | I | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 173.2 | -74.8 | 173.2 | 0 | 0 | 0 | 110.7 | D28 A29 A34 A35 L36 L44 I47 L48 V59 F63 L71 | D28-I32 WeakPolarHBondContact O-CB 3.36Å; D28-I32 WeakPolarHBondContact O-CG1 3.26Å; D28-I32 PolarHBondContact O-N 2.87Å; A29-I32 PolarHBondContact O-N 3Å; I32-A34 PolarHBondContact O-N 3.09Å; I32-A35 PolarHBondContact O-N 3.41Å; I32-L36 HydrophobicContact CG2-CD1 3.73Å; I32-L36 HydrophobicContact CG2-CG 4.29Å; I32-L36 VanDerWaalsContact O-CG 3.27Å; I32-L36 WeakPolarHBondContact O-CG 3.46Å; I32-L36 PolarHBondContact O-N 3.39Å; I32-L44 HydrophobicContact CB-CD2 4.39Å; I32-L44 HydrophobicContact CG1-CD2 4.36Å; I32-L44 HydrophobicContact CG2-CD2 3.93Å; I32-I47 HydrophobicContact CD1-CG2 3.93Å; I32-I47 HydrophobicContact CG1-CB 4.42Å; I32-I47 HydrophobicContact CG1-CD1 3.9Å; I32-I47 HydrophobicContact CG1-CG2 4Å; I32-L48 HydrophobicContact CD1-CD2 3.96Å; I32-V59 HydrophobicContact CD1-CG1 3.52Å; I32-F63 HydrophobicContact CG2-CD2 4.16Å; I32-F63 HydrophobicContact CG2-CE2 4.1Å; I32-L71 HydrophobicContact CG2-CD1 3.63Å |
| 33 | Q | 98 | Very high | 97.4 | Very high | 64 Ų | 64 | 63.4 Ų | 63.4 | 30% | 0.299 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.3 | -49.2 | 176.1 | -176.9 | -175.1 | -12.7 | 0 | 0 | 111.1 | A29 A30 A35 L36 E37 F63 T67 | A29-Q33 PolarHBondContact O-N 3.39Å; A30-Q33 PolarHBondContact O-N 3.48Å; Q33-A35 VanDerWaalsContact C-N 3.29Å; Q33-A35 PolarHBondContact O-N 2.75Å; Q33-L36 PolarHBondContact O-N 2.73Å; Q33-E37 PolarHBondContact NE2-OE1 3.1Å; Q33-E37 WeakPolarHBondContact O-CG 3.49Å; Q33-E37 PolarHBondContact O-N 3.4Å; Q33-F63 HydrophobicContact CB-CE2 3.96Å; Q33-T67 HydrophobicContact CG-CG2 4.28Å |
| 34 | A | 98.3 | Very high | 97.5 | Very high | 32 Ų | 32 | 61.1 Ų | 61.1 | 26% | 0.264 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.2 | -38.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A30 D31 I32 R38 | A30-A34 PolarHBondContact O-N 3.5Å; D31-A34 PolarHBondContact O-N 2.84Å; I32-A34 PolarHBondContact O-N 3.09Å; A34-R38 WeakPolarHBondContact O-CB 3.45Å; A34-R38 VanDerWaalsContact O-CG 3.32Å; A34-R38 WeakPolarHBondContact O-CG 3.41Å; A34-R38 PolarHBondContact O-N 3.5Å; A34-R38 VanDerWaalsContact O-N 3.14Å |
| 35 | A | 98.1 | Very high | 97.5 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.033 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66 | -41.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D31 I32 Q33 R38 K39 D40 A43 L44 | D31-A35 WeakPolarHBondContact O-CB 3.32Å; D31-A35 PolarHBondContact O-N 3.19Å; I32-A35 PolarHBondContact O-N 3.41Å; Q33-A35 VanDerWaalsContact C-N 3.29Å; Q33-A35 PolarHBondContact O-N 2.75Å; A35-R38 CarbonylContact O-C 3.19Å; A35-R38 PolarHBondContact O-N 2.69Å; A35-K39 CarbonylContact O-C 3.39Å; A35-K39 WeakPolarHBondContact O-CA 3.44Å; A35-K39 PolarHBondContact O-N 3.08Å; A35-D40 HydrophobicContact CB-CB 4.33Å; A35-D40 PolarHBondContact O-N 2.67Å; A35-A43 HydrophobicContact CB-CB 3.84Å; A35-L44 HydrophobicContact CB-CD2 3.82Å; A35-L44 HydrophobicContact CB-CG 3.98Å |
| 36 | L | 96.9 | Very high | 97.5 | Very high | 12 Ų | 12 | 63.2 Ų | 63.2 | 6% | 0.063 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 176.3 | -71.4 | 163.9 | 0 | 0 | 0 | 111.8 | I32 Q33 R38 K39 L44 F63 L71 V74 L75 V78 | I32-L36 HydrophobicContact CG2-CD1 3.73Å; I32-L36 HydrophobicContact CG2-CG 4.29Å; I32-L36 VanDerWaalsContact O-CG 3.27Å; I32-L36 WeakPolarHBondContact O-CG 3.46Å; I32-L36 PolarHBondContact O-N 3.39Å; Q33-L36 PolarHBondContact O-N 2.73Å; L36-R38 VanDerWaalsContact C-N 3.3Å; L36-R38 PolarHBondContact O-N 3.38Å; L36-K39 PolarHBondContact O-N 3.02Å; L36-K39 VanDerWaalsContact O-N 3.16Å; L36-L44 HydrophobicContact CD2-CD1 3.9Å; L36-L44 HydrophobicContact CD2-CD2 4.27Å; L36-L44 HydrophobicContact CG-CD1 4.5Å; L36-L44 HydrophobicContact CG-CD2 4.12Å; L36-F63 HydrophobicContact CD1-CE2 3.82Å; L36-F63 HydrophobicContact CD1-CZ 3.82Å; L36-L71 HydrophobicContact CD1-CD1 4.24Å; L36-V74 HydrophobicContact CD1-CB 4.41Å; L36-V74 HydrophobicContact CD1-CG1 3.81Å; L36-V74 HydrophobicContact CD2-CG1 4.25Å; L36-V74 HydrophobicContact CG-CG1 4.44Å; L36-L75 HydrophobicContact CD2-CD2 3.93Å; L36-V78 HydrophobicContact CD2-CB 4.12Å; L36-V78 HydrophobicContact CD2-CG1 4.2Å; L36-V78 HydrophobicContact CD2-CG2 4.17Å |
| 37 | E | 95.8 | Very high | 97.5 | Very high | 135 Ų | 135 | 58.8 Ų | 58.8 | 63% | 0.631 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62 | -38.1 | 177.4 | -72.5 | 172.6 | -173.2 | 0 | 0 | 112.2 | Q33 K39 | Q33-E37 PolarHBondContact NE2-OE1 3.1Å; Q33-E37 WeakPolarHBondContact O-CG 3.49Å; Q33-E37 PolarHBondContact O-N 3.4Å; E37-K39 VanDerWaalsContact C-N 3.34Å |
| 38 | R | 96.8 | Very high | 97.5 | Very high | 201 Ų | 201 | 51 Ų | 51 | 76% | 0.758 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -84.8 | -6.8 | 177.8 | -66.1 | 176 | -173.9 | 176.6 | 4.1 | 113.8 | A34 A35 L36 D40 | A34-R38 WeakPolarHBondContact O-CB 3.45Å; A34-R38 VanDerWaalsContact O-CG 3.32Å; A34-R38 WeakPolarHBondContact O-CG 3.41Å; A34-R38 PolarHBondContact O-N 3.5Å; A34-R38 VanDerWaalsContact O-N 3.14Å; A35-R38 CarbonylContact O-C 3.19Å; A35-R38 PolarHBondContact O-N 2.69Å; L36-R38 VanDerWaalsContact C-N 3.3Å; L36-R38 PolarHBondContact O-N 3.38Å; R38-D40 HydrophobicContact CB-CB 4.36Å; R38-D40 PolarHBondContact O-N 2.83Å |
| 39 | K | 94.9 | Very high | 97.4 | Very high | 160 Ų | 160 | 50.6 Ų | 50.6 | 70% | 0.696 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 37.3 | -169.9 | -51.9 | -175.6 | 178.5 | -175.3 | 0 | 112.7 | A35 L36 E37 A41 V78 | A35-K39 CarbonylContact O-C 3.39Å; A35-K39 WeakPolarHBondContact O-CA 3.44Å; A35-K39 PolarHBondContact O-N 3.08Å; L36-K39 PolarHBondContact O-N 3.02Å; L36-K39 VanDerWaalsContact O-N 3.16Å; E37-K39 VanDerWaalsContact C-N 3.34Å; K39-A41 PolarHBondContact O-N 3.39Å; K39-A41 VanDerWaalsContact O-N 3.16Å; K39-V78 HydrophobicContact CG-CG1 4.23Å |
| 40 | D | 96.4 | Very high | 97.3 | Very high | 68 Ų | 68 | 52.9 Ų | 52.9 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | trans | -84.5 | 84.8 | 179.3 | -172.6 | -15.3 | 0 | 0 | 0 | 110.5 | A35 R38 A42 A43 L44 | A35-D40 HydrophobicContact CB-CB 4.33Å; A35-D40 PolarHBondContact O-N 2.67Å; R38-D40 HydrophobicContact CB-CB 4.36Å; R38-D40 PolarHBondContact O-N 2.83Å; D40-A42 VanDerWaalsContact C-N 3.27Å; D40-A42 PolarHBondContact O-N 2.76Å; D40-A42 PolarHBondContact OD1-N 3.46Å; D40-A43 HydrophobicContact CB-CB 4.08Å; D40-A43 VanDerWaalsContact CG-CB 3.45Å; D40-A43 PolarHBondContact O-N 3.39Å; D40-A43 PolarHBondContact OD1-N 3.49Å; D40-L44 PolarHBondContact O-N 3.29Å | ||
| 41 | A | 96.1 | Very high | 97.3 | Very high | 16 Ų | 16 | 51.8 Ų | 51.8 | 13% | 0.132 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.2 | -34.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K39 L44 V45 L79 L83 E300 | K39-A41 PolarHBondContact O-N 3.39Å; K39-A41 VanDerWaalsContact O-N 3.16Å; A41-L44 PolarHBondContact O-N 3.44Å; A41-V45 VanDerWaalsContact O-CG2 3.32Å; A41-V45 WeakPolarHBondContact O-CG2 3.34Å; A41-V45 PolarHBondContact O-N 2.95Å; A41-L79 HydrophobicContact CB-CD2 4.44Å; A41-L83 HydrophobicContact CB-CD2 3.85Å; A41-E300 HydrophobicContact CB-CG 3.95Å |
| 42 | A | 96.5 | Very high | 97.3 | Very high | 44 Ų | 44 | 48.8 Ų | 48.8 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67 | -39.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D40 V45 R46 | D40-A42 VanDerWaalsContact C-N 3.27Å; D40-A42 PolarHBondContact O-N 2.76Å; D40-A42 PolarHBondContact OD1-N 3.46Å; A42-V45 PolarHBondContact O-N 2.97Å; A42-R46 WeakPolarHBondContact O-CB 3.48Å; A42-R46 PolarHBondContact O-N 3.22Å |
| 43 | A | 97.5 | Very high | 97.2 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 10% | 0.099 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63 | -42.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | A35 D40 R46 I47 | A35-A43 HydrophobicContact CB-CB 3.84Å; D40-A43 HydrophobicContact CB-CB 4.08Å; D40-A43 VanDerWaalsContact CG-CB 3.45Å; D40-A43 PolarHBondContact O-N 3.39Å; D40-A43 PolarHBondContact OD1-N 3.49Å; A43-R46 PolarHBondContact O-N 2.65Å; A43-I47 WeakPolarHBondContact O-CG1 3.14Å; A43-I47 PolarHBondContact O-N 3.48Å |
| 44 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.2 | -48.2 | 176 | -65.9 | 173 | 0 | 0 | 0 | 111.6 | I32 A35 L36 D40 A41 R46 I47 L48 L75 L79 L87 | I32-L44 HydrophobicContact CB-CD2 4.39Å; I32-L44 HydrophobicContact CG1-CD2 4.36Å; I32-L44 HydrophobicContact CG2-CD2 3.93Å; A35-L44 HydrophobicContact CB-CD2 3.82Å; A35-L44 HydrophobicContact CB-CG 3.98Å; L36-L44 HydrophobicContact CD2-CD1 3.9Å; L36-L44 HydrophobicContact CD2-CD2 4.27Å; L36-L44 HydrophobicContact CG-CD1 4.5Å; L36-L44 HydrophobicContact CG-CD2 4.12Å; D40-L44 PolarHBondContact O-N 3.29Å; A41-L44 PolarHBondContact O-N 3.44Å; L44-R46 PolarHBondContact O-N 3Å; L44-I47 PolarHBondContact O-N 2.95Å; L44-L48 WeakPolarHBondContact O-CB 3.47Å; L44-L48 WeakPolarHBondContact O-CG 3.46Å; L44-L48 PolarHBondContact O-N 3.35Å; L44-L75 HydrophobicContact CD1-CD2 4.14Å; L44-L79 HydrophobicContact CD1-CD1 4.24Å; L44-L79 HydrophobicContact CD1-CD2 4.18Å; L44-L87 HydrophobicContact CB-CD1 3.94Å |
| 45 | V | 98.1 | Very high | 97.3 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.6 | -51.2 | 175.3 | 167.9 | 0 | 0 | 0 | 0 | 110.6 | A41 A42 I47 L48 T49 L83 L87 L303 A304 | A41-V45 VanDerWaalsContact O-CG2 3.32Å; A41-V45 WeakPolarHBondContact O-CG2 3.34Å; A41-V45 PolarHBondContact O-N 2.95Å; A42-V45 PolarHBondContact O-N 2.97Å; V45-I47 VanDerWaalsContact C-N 3.3Å; V45-I47 PolarHBondContact O-N 3.18Å; V45-L48 PolarHBondContact O-N 3.48Å; V45-T49 HydrophobicContact CG1-CG2 4.12Å; V45-T49 WeakPolarHBondContact O-CB 3.46Å; V45-T49 VanDerWaalsContact O-CG2 3.3Å; V45-T49 WeakPolarHBondContact O-CG2 3.47Å; V45-T49 PolarHBondContact O-N 2.48Å; V45-T49 PolarHBondContact O-OG1 3.39Å; V45-L83 HydrophobicContact CG2-CD1 3.85Å; V45-L87 HydrophobicContact CG2-CD1 4.35Å; V45-L87 HydrophobicContact CG2-CD2 4.15Å; V45-L303 HydrophobicContact CG1-CB 4.38Å; V45-A304 HydrophobicContact CB-CB 4.47Å; V45-A304 VanDerWaalsContact CG1-CA 3.47Å; V45-A304 HydrophobicContact CG1-CB 3.7Å; V45-A304 HydrophobicContact CG2-CB 3.94Å |
| 46 | R | 97.2 | Very high | 97.3 | Very high | 166 Ų | 166 | 49.3 Ų | 49.3 | 63% | 0.626 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -57.7 | -41 | -178.1 | -177.9 | -175.7 | 64.5 | -177.6 | -1.4 | 112.5 | A42 A43 L44 N50 | A42-R46 WeakPolarHBondContact O-CB 3.48Å; A42-R46 PolarHBondContact O-N 3.22Å; A43-R46 PolarHBondContact O-N 2.65Å; L44-R46 PolarHBondContact O-N 3Å; R46-N50 WeakPolarHBondContact O-CB 3.46Å |
| 47 | I | 97.8 | Very high | 97.4 | Very high | 10 Ų | 10 | 51.3 Ų | 51.3 | 5% | 0.051 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73 | -54.1 | 179.7 | -62.5 | 165.9 | 0 | 0 | 0 | 109.9 | D28 D31 I32 A43 L44 V45 T49 N50 R51 | D28-I47 HydrophobicContact CB-CG2 4.34Å; D31-I47 HydrophobicContact CB-CD1 3.78Å; I32-I47 HydrophobicContact CD1-CG2 3.93Å; I32-I47 HydrophobicContact CG1-CB 4.42Å; I32-I47 HydrophobicContact CG1-CD1 3.9Å; I32-I47 HydrophobicContact CG1-CG2 4Å; A43-I47 WeakPolarHBondContact O-CG1 3.14Å; A43-I47 PolarHBondContact O-N 3.48Å; L44-I47 PolarHBondContact O-N 2.95Å; V45-I47 VanDerWaalsContact C-N 3.3Å; V45-I47 PolarHBondContact O-N 3.18Å; I47-T49 PolarHBondContact O-N 2.8Å; I47-N50 PolarHBondContact O-N 3.26Å; I47-N50 VanDerWaalsContact O-N 3.11Å; I47-R51 WeakPolarHBondContact O-CG 3.18Å; I47-R51 PolarHBondContact O-N 2.93Å |
| 48 | L | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.1 | -25.3 | -170.2 | -65.9 | 178.2 | 0 | 0 | 0 | 114.3 | I32 L44 V45 N50 R56 L75 L87 L90 V91 | I32-L48 HydrophobicContact CD1-CD2 3.96Å; L44-L48 WeakPolarHBondContact O-CB 3.47Å; L44-L48 WeakPolarHBondContact O-CG 3.46Å; L44-L48 PolarHBondContact O-N 3.35Å; V45-L48 PolarHBondContact O-N 3.48Å; L48-N50 VanDerWaalsContact C-N 3.33Å; L48-R56 WeakPolarHBondContact O-CD 3.4Å; L48-L75 HydrophobicContact CD1-CD1 4.46Å; L48-L87 HydrophobicContact CB-CD2 4.44Å; L48-L87 HydrophobicContact CD1-CB 4.26Å; L48-L87 HydrophobicContact CD1-CD1 4.39Å; L48-L87 HydrophobicContact CD1-CD2 4.18Å; L48-L90 HydrophobicContact CB-CD1 4.29Å; L48-V91 HydrophobicContact CD1-CG1 4.12Å; L48-V91 HydrophobicContact CD2-CG1 3.83Å |
| 49 | T | 97.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -10.1 | 174 | 59.4 | 0 | 0 | 0 | 0 | 113.1 | V45 I47 L90 A304 A307 I308 R310 | V45-T49 HydrophobicContact CG1-CG2 4.12Å; V45-T49 WeakPolarHBondContact O-CB 3.46Å; V45-T49 VanDerWaalsContact O-CG2 3.3Å; V45-T49 WeakPolarHBondContact O-CG2 3.47Å; V45-T49 PolarHBondContact O-N 2.48Å; V45-T49 PolarHBondContact O-OG1 3.39Å; I47-T49 PolarHBondContact O-N 2.8Å; T49-L90 HydrophobicContact CG2-CD1 3.82Å; T49-A304 HydrophobicContact CG2-CB 4.33Å; T49-A307 HydrophobicContact CG2-CB 4.03Å; T49-A307 VanDerWaalsContact OG1-CB 3.26Å; T49-A307 WeakPolarHBondContact OG1-CB 3.2Å; T49-I308 HydrophobicContact CG2-CG1 4.04Å; T49-R310 PolarHBondContact O-NH2 3.48Å |
| 50 | N | 96.3 | Very high | 97.8 | Very high | 48 Ų | 48 | 30.5 Ų | 30.5 | 26% | 0.257 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | 20.4 | -177.5 | -152.7 | 29.8 | 0 | 0 | 0 | 113.3 | F20 R46 I47 L48 R310 | F20-N50 WeakPolarHBondContact CB-O 3.34Å; F20-N50 WeakPolarHBondContact CD2-O 3.28Å; F20-N50 WeakPolarHBondContact CE2-ND2 3.4Å; R46-N50 WeakPolarHBondContact O-CB 3.46Å; I47-N50 PolarHBondContact O-N 3.26Å; I47-N50 VanDerWaalsContact O-N 3.11Å; L48-N50 VanDerWaalsContact C-N 3.33Å; N50-R310 VanDerWaalsContact OD1-CZ 3.3Å; N50-R310 PolarHBondContact OD1-NH1 3.39Å; N50-R310 PolarHBondContact OD1-NH2 2.95Å |
| 51 | R | 97.8 | Very high | 97.9 | Very high | 18 Ų | 18 | 31.9 Ų | 31.9 | 7% | 0.068 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -128.5 | 138.4 | 170.8 | -64.7 | -60.7 | 177.2 | -83.5 | -3.7 | 108.2 | F20 D28 I47 Q55 R56 | F20-R51 VanDerWaalsContact CG-CZ 3.45Å; D28-R51 VanDerWaalsContact CG-NH2 3.26Å; D28-R51 IonicContact OD1-CZ 3.67Å; D28-R51 IonicContact OD1-NE 3.93Å; D28-R51 IonicContact OD1-NH2 3.67Å; D28-R51 PolarHBondContact OD1-NH2 3.33Å; D28-R51 IonicContact OD2-CZ 2.77Å; D28-R51 VanDerWaalsContact OD2-CZ 3.23Å; D28-R51 IonicContact OD2-NE 3.16Å; D28-R51 PolarHBondContact OD2-NE 3.49Å; D28-R51 IonicContact OD2-NH2 2.82Å; D28-R51 PolarHBondContact OD2-NH2 3.39Å; I47-R51 WeakPolarHBondContact O-CG 3.18Å; I47-R51 PolarHBondContact O-N 2.93Å; R51-Q55 HydrophobicContact CB-CB 3.99Å; R51-Q55 HydrophobicContact CG-CB 4.48Å; R51-R56 HydrophobicContact CB-CG 3.68Å; R51-R56 PolarHBondContact O-NE 3.19Å |
| 52 | N | 97.7 | Very high | 98 | Very high | 23 Ų | 23 | 31.4 Ų | 31.4 | 12% | 0.123 | 17% | 0.174 | C | C | . | . | trans | -71.3 | 170.9 | 170.3 | 81.5 | -18 | 0 | 0 | 0 | 110.2 | I17 A54 Q55 R56 E271 | I17-N52 HydrophobicContact CG2-CB 4.22Å; N52-A54 PolarHBondContact O-N 3.08Å; N52-Q55 PolarHBondContact O-N 2.83Å; N52-Q55 WeakPolarHBondContact OD1-CB 3.46Å; N52-Q55 WeakPolarHBondContact OD1-CG 3.41Å; N52-Q55 PolarHBondContact OD1-N 3.27Å; N52-Q55 PolarHBondContact OD1-OE1 3.37Å; N52-R56 WeakPolarHBondContact O-CG 3.31Å; N52-R56 PolarHBondContact O-N 2.89Å; N52-R56 PolarHBondContact O-NE 3.07Å; N52-E271 WeakPolarHBondContact CA-OE1 3.47Å; N52-E271 WeakPolarHBondContact CB-OE2 3.39Å | ||
| 53 | N | 98.1 | Very high | 98.1 | Very high | 18 Ų | 18 | 29.5 Ų | 29.5 | 10% | 0.096 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -46 | -172.6 | -167 | -85.5 | 0 | 0 | 0 | 111.3 | Q55 R56 Q57 M92 E271 | N53-Q55 VanDerWaalsContact C-N 3.28Å; N53-Q55 PolarHBondContact O-N 2.85Å; N53-R56 CarbonylContact O-C 3.57Å; N53-R56 WeakPolarHBondContact O-CA 3.15Å; N53-R56 WeakPolarHBondContact O-CB 3.14Å; N53-R56 PolarHBondContact O-N 3.48Å; N53-Q57 WeakPolarHBondContact O-CG 3.41Å; N53-Q57 PolarHBondContact O-N 3.39Å; N53-Q57 PolarHBondContact OD1-NE2 2.79Å; N53-M92 PolarHBondContact ND2-O 2.94Å; N53-E271 WeakPolarHBondContact CB-OE1 3.22Å; N53-E271 PolarHBondContact N-OE1 2.86Å; N53-E271 PolarHBondContact N-OE2 3.17Å |
| 54 | A | 97.9 | Very high | 98.1 | Very high | 69 Ų | 69 | 33.1 Ų | 33.1 | 57% | 0.57 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -55.1 | -43.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N52 Q57 A58 | N52-A54 PolarHBondContact O-N 3.08Å; A54-Q57 PolarHBondContact O-N 3.49Å; A54-A58 PolarHBondContact O-N 3.28Å; A54-A58 VanDerWaalsContact O-N 3.11Å |
| 55 | Q | 98.6 | Very high | 98.1 | Very high | 20 Ų | 20 | 37.4 Ų | 37.4 | 9% | 0.093 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.8 | -42 | 174.6 | -72.8 | 173 | -21.8 | 0 | 0 | 111.6 | F20 F23 R51 N52 N53 Q57 A58 V59 | F20-Q55 VanDerWaalsContact N-NE2 3.14Å; F20-Q55 PolarHBondContact O-NE2 3.35Å; F23-Q55 HydrophobicContact CD1-CB 4.31Å; F23-Q55 HydrophobicContact CD1-CG 3.68Å; F23-Q55 HydrophobicContact CD2-CB 4.22Å; F23-Q55 HydrophobicContact CD2-CG 4.12Å; F23-Q55 HydrophobicContact CE1-CB 3.97Å; F23-Q55 HydrophobicContact CE1-CG 3.79Å; F23-Q55 HydrophobicContact CE2-CB 3.89Å; F23-Q55 HydrophobicContact CE2-CG 4.22Å; F23-Q55 HydrophobicContact CG-CB 4.41Å; F23-Q55 HydrophobicContact CG-CG 3.84Å; F23-Q55 HydrophobicContact CZ-CB 3.75Å; F23-Q55 HydrophobicContact CZ-CG 4.06Å; F23-Q55 WeakPolarHBondContact CZ-O 3.48Å; R51-Q55 HydrophobicContact CB-CB 3.99Å; R51-Q55 HydrophobicContact CG-CB 4.48Å; N52-Q55 PolarHBondContact O-N 2.83Å; N52-Q55 WeakPolarHBondContact OD1-CB 3.46Å; N52-Q55 WeakPolarHBondContact OD1-CG 3.41Å; N52-Q55 PolarHBondContact OD1-N 3.27Å; N52-Q55 PolarHBondContact OD1-OE1 3.37Å; N53-Q55 VanDerWaalsContact C-N 3.28Å; N53-Q55 PolarHBondContact O-N 2.85Å; Q55-Q57 VanDerWaalsContact C-N 3.29Å; Q55-Q57 PolarHBondContact O-N 3.32Å; Q55-A58 WeakPolarHBondContact O-CB 3.4Å; Q55-A58 PolarHBondContact O-N 3.04Å; Q55-A58 VanDerWaalsContact O-N 3.11Å; Q55-V59 WeakPolarHBondContact O-CG2 3.38Å; Q55-V59 PolarHBondContact O-N 3.49Å |
| 56 | R | 98.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60 | -38.5 | 175.8 | -70.3 | 177.4 | -74.8 | -175.9 | 7.5 | 112.3 | L48 R51 N52 N53 V59 A60 L90 E271 | L48-R56 WeakPolarHBondContact O-CD 3.4Å; R51-R56 HydrophobicContact CB-CG 3.68Å; R51-R56 PolarHBondContact O-NE 3.19Å; N52-R56 WeakPolarHBondContact O-CG 3.31Å; N52-R56 PolarHBondContact O-N 2.89Å; N52-R56 PolarHBondContact O-NE 3.07Å; N53-R56 CarbonylContact O-C 3.57Å; N53-R56 WeakPolarHBondContact O-CA 3.15Å; N53-R56 WeakPolarHBondContact O-CB 3.14Å; N53-R56 PolarHBondContact O-N 3.48Å; R56-V59 PolarHBondContact O-N 3.48Å; R56-A60 WeakPolarHBondContact O-CB 3.33Å; R56-A60 PolarHBondContact O-N 2.99Å; R56-L90 VanDerWaalsContact CD-O 3.24Å; R56-L90 WeakPolarHBondContact CD-O 3.22Å; R56-L90 PolarHBondContact NE-O 3.46Å; R56-L90 VanDerWaalsContact NE-O 3.11Å; R56-L90 VanDerWaalsContact NH1-CA 3.28Å; R56-L90 PolarHBondContact NH1-O 3.43Å; R56-E271 IonicContact CZ-OE1 3.69Å; R56-E271 IonicContact NH2-OE1 3.23Å; R56-E271 PolarHBondContact NH2-OE1 3.18Å |
| 57 | Q | 98.7 | Very high | 98.1 | Very high | 55 Ų | 55 | 34.5 Ų | 34.5 | 26% | 0.257 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.9 | -43.4 | 173.1 | -59.2 | -45.8 | -50.1 | 0 | 0 | 111.6 | N53 A54 Q55 V59 A60 Q61 V91 L93 | N53-Q57 WeakPolarHBondContact O-CG 3.41Å; N53-Q57 PolarHBondContact O-N 3.39Å; N53-Q57 PolarHBondContact OD1-NE2 2.79Å; A54-Q57 PolarHBondContact O-N 3.49Å; Q55-Q57 VanDerWaalsContact C-N 3.29Å; Q55-Q57 PolarHBondContact O-N 3.32Å; Q57-V59 VanDerWaalsContact C-N 3.33Å; Q57-V59 PolarHBondContact O-N 3.17Å; Q57-A60 PolarHBondContact O-N 3.44Å; Q57-Q61 PolarHBondContact O-N 2.77Å; Q57-V91 PolarHBondContact NE2-O 3.18Å; Q57-L93 HydrophobicContact CG-CD2 3.67Å |
| 58 | A | 98.6 | Very high | 98.1 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 31% | 0.314 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.8 | -37.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F23 P25 A54 Q55 S62 | F23-A58 HydrophobicContact CE1-CB 3.87Å; F23-A58 HydrophobicContact CZ-CB 4Å; P25-A58 HydrophobicContact CB-CB 4.24Å; A54-A58 PolarHBondContact O-N 3.28Å; A54-A58 VanDerWaalsContact O-N 3.11Å; Q55-A58 WeakPolarHBondContact O-CB 3.4Å; Q55-A58 PolarHBondContact O-N 3.04Å; Q55-A58 VanDerWaalsContact O-N 3.11Å; A58-S62 PolarHBondContact O-N 3.31Å |
| 59 | V | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.6 | -45.5 | 172.7 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | F23 D28 A29 I32 Q55 R56 Q57 Q61 S62 F63 | F23-V59 HydrophobicContact CE2-CG2 3.51Å; F23-V59 HydrophobicContact CZ-CG2 3.61Å; D28-V59 HydrophobicContact CB-CG1 4.08Å; D28-V59 HydrophobicContact CB-CG2 3.65Å; A29-V59 HydrophobicContact CB-CG1 4.41Å; I32-V59 HydrophobicContact CD1-CG1 3.52Å; Q55-V59 WeakPolarHBondContact O-CG2 3.38Å; Q55-V59 PolarHBondContact O-N 3.49Å; R56-V59 PolarHBondContact O-N 3.48Å; Q57-V59 VanDerWaalsContact C-N 3.33Å; Q57-V59 PolarHBondContact O-N 3.17Å; V59-Q61 VanDerWaalsContact C-N 3.3Å; V59-Q61 PolarHBondContact O-N 2.9Å; V59-S62 PolarHBondContact O-N 3.34Å; V59-F63 VanDerWaalsContact O-CB 3.28Å; V59-F63 WeakPolarHBondContact O-CB 3.42Å; V59-F63 PolarHBondContact O-N 3.38Å |
| 60 | A | 98.6 | Very high | 98 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 16% | 0.157 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60 | -41.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R56 Q57 F63 Q64 L71 | R56-A60 WeakPolarHBondContact O-CB 3.33Å; R56-A60 PolarHBondContact O-N 2.99Å; Q57-A60 PolarHBondContact O-N 3.44Å; A60-F63 PolarHBondContact O-N 3.01Å; A60-Q64 PolarHBondContact O-N 2.82Å; A60-L71 HydrophobicContact CB-CB 4.33Å; A60-L71 HydrophobicContact CB-CD2 4.07Å |
| 61 | Q | 98.5 | Very high | 98.1 | Very high | 96 Ų | 96 | 48.7 Ų | 48.7 | 45% | 0.449 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.3 | -49.9 | 174.7 | -175.9 | 58.8 | 58.2 | 0 | 0 | 111.8 | Q57 V59 F63 Q64 D65 | Q57-Q61 PolarHBondContact O-N 2.77Å; V59-Q61 VanDerWaalsContact C-N 3.3Å; V59-Q61 PolarHBondContact O-N 2.9Å; Q61-F63 VanDerWaalsContact C-N 3.31Å; Q61-F63 PolarHBondContact O-N 3.47Å; Q61-Q64 WeakPolarHBondContact O-CB 3.38Å; Q61-Q64 PolarHBondContact O-N 3.19Å; Q61-Q64 VanDerWaalsContact O-N 3.14Å; Q61-D65 PolarHBondContact NE2-OD1 3.35Å; Q61-D65 PolarHBondContact NE2-OD2 3.29Å; Q61-D65 PolarHBondContact O-N 3.34Å |
| 62 | S | 98.6 | Very high | 98 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 178.2 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | D26 A58 V59 Q64 D65 Q66 | D26-S62 VanDerWaalsContact CA-OG 3.31Å; D26-S62 WeakPolarHBondContact CA-OG 3.49Å; D26-S62 WeakPolarHBondContact OD1-CB 3.29Å; D26-S62 PolarHBondContact OD1-OG 2.81Å; A58-S62 PolarHBondContact O-N 3.31Å; V59-S62 PolarHBondContact O-N 3.34Å; S62-Q64 VanDerWaalsContact C-N 3.33Å; S62-Q64 PolarHBondContact O-N 2.91Å; S62-D65 PolarHBondContact O-N 3.25Å; S62-Q66 VanDerWaalsContact O-CG 3.29Å; S62-Q66 WeakPolarHBondContact O-CG 3.2Å; S62-Q66 PolarHBondContact O-N 3.27Å; S62-Q66 PolarHBondContact OG-NE2 3.08Å |
| 63 | F | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.6 | -44.8 | 173.3 | -177.8 | -86.5 | 0 | 0 | 0 | 111.4 | A29 I32 Q33 L36 V59 A60 Q61 D65 Q66 T67 Q69 L71 V74 | A29-F63 HydrophobicContact CB-CB 3.99Å; I32-F63 HydrophobicContact CG2-CD2 4.16Å; I32-F63 HydrophobicContact CG2-CE2 4.1Å; Q33-F63 HydrophobicContact CB-CE2 3.96Å; L36-F63 HydrophobicContact CD1-CE2 3.82Å; L36-F63 HydrophobicContact CD1-CZ 3.82Å; V59-F63 VanDerWaalsContact O-CB 3.28Å; V59-F63 WeakPolarHBondContact O-CB 3.42Å; V59-F63 PolarHBondContact O-N 3.38Å; A60-F63 PolarHBondContact O-N 3.01Å; Q61-F63 VanDerWaalsContact C-N 3.31Å; Q61-F63 PolarHBondContact O-N 3.47Å; F63-D65 VanDerWaalsContact C-N 3.34Å; F63-Q66 PolarHBondContact O-N 2.88Å; F63-T67 HydrophobicContact CD1-CG2 4.44Å; F63-T67 HydrophobicContact CD2-CG2 4.19Å; F63-T67 HydrophobicContact CE1-CG2 4.21Å; F63-T67 WeakPolarHBondContact CE1-OG1 3.42Å; F63-T67 HydrophobicContact CE2-CG2 3.96Å; F63-T67 HydrophobicContact CG-CG2 4.43Å; F63-T67 HydrophobicContact CZ-CG2 3.97Å; F63-T67 WeakPolarHBondContact O-CB 3.31Å; F63-T67 WeakPolarHBondContact O-CG2 3.46Å; F63-T67 PolarHBondContact O-N 3.25Å; F63-T67 PolarHBondContact O-OG1 3.42Å; F63-Q69 WeakPolarHBondContact CD1-O 3.41Å; F63-Q69 HydrophobicContact CE1-CB 4.26Å; F63-L71 HydrophobicContact CD1-CB 3.81Å; F63-L71 HydrophobicContact CD1-CD1 4.26Å; F63-L71 HydrophobicContact CD2-CD1 4.25Å; F63-L71 HydrophobicContact CE1-CB 4.26Å; F63-L71 HydrophobicContact CE1-CD1 4.28Å; F63-L71 HydrophobicContact CE2-CD1 4.26Å; F63-L71 HydrophobicContact CG-CB 4.24Å; F63-L71 HydrophobicContact CG-CD1 4.25Å; F63-L71 HydrophobicContact CZ-CD1 4.28Å; F63-V74 HydrophobicContact CE1-CG2 4.15Å; F63-V74 HydrophobicContact CZ-CG2 4.32Å |
| 64 | Q | 98.3 | Very high | 97.9 | Very high | 89 Ų | 89 | 49.3 Ų | 49.3 | 42% | 0.416 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 175.6 | -173.4 | 179.2 | 18.8 | 0 | 0 | 111.9 | A60 Q61 S62 Q66 K68 Q69 | A60-Q64 PolarHBondContact O-N 2.82Å; Q61-Q64 WeakPolarHBondContact O-CB 3.38Å; Q61-Q64 PolarHBondContact O-N 3.19Å; Q61-Q64 VanDerWaalsContact O-N 3.14Å; S62-Q64 VanDerWaalsContact C-N 3.33Å; S62-Q64 PolarHBondContact O-N 2.91Å; Q64-Q66 PolarHBondContact O-N 3.37Å; Q64-K68 WeakPolarHBondContact O-CA 3.2Å; Q64-K68 PolarHBondContact O-N 3.03Å; Q64-Q69 WeakPolarHBondContact CA-O 3.23Å |
| 65 | D | 98.3 | Very high | 97.9 | Very high | 89 Ų | 89 | 46 Ų | 46 | 48% | 0.476 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.8 | -39.4 | 179.7 | -68.9 | -28.4 | 0 | 0 | 0 | 112.2 | Q61 S62 F63 K68 | Q61-D65 PolarHBondContact NE2-OD1 3.35Å; Q61-D65 PolarHBondContact NE2-OD2 3.29Å; Q61-D65 PolarHBondContact O-N 3.34Å; S62-D65 PolarHBondContact O-N 3.25Å; F63-D65 VanDerWaalsContact C-N 3.34Å; D65-K68 WeakPolarHBondContact O-CE 3.47Å; D65-K68 PolarHBondContact O-NZ 3.08Å |
| 66 | Q | 97.7 | Very high | 97.7 | Very high | 85 Ų | 85 | 50.5 Ų | 50.5 | 40% | 0.397 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -76.9 | -44.4 | -180 | -66.9 | 178.8 | 38.8 | 0 | 0 | 113 | D26 S62 F63 Q64 | D26-Q66 PolarHBondContact O-NE2 3.14Å; D26-Q66 VanDerWaalsContact O-NE2 3.12Å; S62-Q66 VanDerWaalsContact O-CG 3.29Å; S62-Q66 WeakPolarHBondContact O-CG 3.2Å; S62-Q66 PolarHBondContact O-N 3.27Å; S62-Q66 PolarHBondContact OG-NE2 3.08Å; F63-Q66 PolarHBondContact O-N 2.88Å; Q64-Q66 PolarHBondContact O-N 3.37Å |
| 67 | T | 97.1 | Very high | 97.5 | Very high | 27 Ų | 27 | 58.7 Ų | 58.7 | 17% | 0.166 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -101 | -16.4 | -170 | 69.3 | 0 | 0 | 0 | 0 | 113.9 | Q33 F63 Q69 | Q33-T67 HydrophobicContact CG-CG2 4.28Å; F63-T67 HydrophobicContact CD1-CG2 4.44Å; F63-T67 HydrophobicContact CD2-CG2 4.19Å; F63-T67 HydrophobicContact CE1-CG2 4.21Å; F63-T67 WeakPolarHBondContact CE1-OG1 3.42Å; F63-T67 HydrophobicContact CE2-CG2 3.96Å; F63-T67 HydrophobicContact CG-CG2 4.43Å; F63-T67 HydrophobicContact CZ-CG2 3.97Å; F63-T67 WeakPolarHBondContact O-CB 3.31Å; F63-T67 WeakPolarHBondContact O-CG2 3.46Å; F63-T67 PolarHBondContact O-N 3.25Å; F63-T67 PolarHBondContact O-OG1 3.42Å; T67-Q69 PolarHBondContact O-N 3.28Å; T67-Q69 PolarHBondContact OG1-N 3.29Å; T67-Q69 VanDerWaalsContact OG1-N 3.09Å |
| 68 | K | 97.8 | Very high | 97.3 | Very high | 165 Ų | 165 | 58.4 Ų | 58.4 | 72% | 0.717 | 30% | 0.298 | S | S | * | . | S | Bend | trans | 59.6 | 19.5 | -167.8 | -50 | -52.1 | -176.8 | -161.1 | 0 | 113.9 | Q64 D65 | Q64-K68 WeakPolarHBondContact O-CA 3.2Å; Q64-K68 PolarHBondContact O-N 3.03Å; D65-K68 WeakPolarHBondContact O-CE 3.47Å; D65-K68 PolarHBondContact O-NZ 3.08Å |
| 69 | Q | 97.2 | Very high | 97.1 | Very high | 104 Ų | 104 | 57.6 Ų | 57.6 | 49% | 0.486 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -117.5 | 147.8 | 177.8 | -58.9 | -178.3 | 16 | 0 | 0 | 110.9 | F63 Q64 T67 V74 | F63-Q69 WeakPolarHBondContact CD1-O 3.41Å; F63-Q69 HydrophobicContact CE1-CB 4.26Å; Q64-Q69 WeakPolarHBondContact CA-O 3.23Å; T67-Q69 PolarHBondContact O-N 3.28Å; T67-Q69 PolarHBondContact OG1-N 3.29Å; T67-Q69 VanDerWaalsContact OG1-N 3.09Å; Q69-V74 HydrophobicContact CB-CG2 3.75Å |
| 70 | D | 96.6 | Very high | 96.8 | Very high | 90 Ų | 90 | 62.2 Ų | 62.2 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | trans | -76.3 | 125.7 | 172.3 | 170.5 | 57.6 | 0 | 0 | 0 | 110.5 | S72 G73 V74 | D70-S72 VanDerWaalsContact C-N 3.32Å; D70-S72 PolarHBondContact O-N 2.99Å; D70-S72 WeakPolarHBondContact OD2-CB 3.4Å; D70-S72 PolarHBondContact OD2-N 3.43Å; D70-G73 PolarHBondContact O-N 2.97Å; D70-G73 VanDerWaalsContact O-N 3.16Å; D70-G73 PolarHBondContact OD2-N 3.28Å; D70-V74 WeakPolarHBondContact O-CG2 3.46Å; D70-V74 PolarHBondContact O-N 3.37Å | ||
| 71 | L | 97.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.1 | -45.1 | -176.9 | 175.9 | 57.5 | 0 | 0 | 0 | 111.9 | I32 L36 A60 F63 G73 V74 L75 V91 | I32-L71 HydrophobicContact CG2-CD1 3.63Å; L36-L71 HydrophobicContact CD1-CD1 4.24Å; A60-L71 HydrophobicContact CB-CB 4.33Å; A60-L71 HydrophobicContact CB-CD2 4.07Å; F63-L71 HydrophobicContact CD1-CB 3.81Å; F63-L71 HydrophobicContact CD1-CD1 4.26Å; F63-L71 HydrophobicContact CD2-CD1 4.25Å; F63-L71 HydrophobicContact CE1-CB 4.26Å; F63-L71 HydrophobicContact CE1-CD1 4.28Å; F63-L71 HydrophobicContact CE2-CD1 4.26Å; F63-L71 HydrophobicContact CG-CB 4.24Å; F63-L71 HydrophobicContact CG-CD1 4.25Å; F63-L71 HydrophobicContact CZ-CD1 4.28Å; L71-G73 VanDerWaalsContact C-N 3.33Å; L71-G73 PolarHBondContact O-N 3.28Å; L71-V74 PolarHBondContact O-N 3.28Å; L71-L75 HydrophobicContact CD1-CD1 4.13Å; L71-L75 HydrophobicContact CD1-CG 4.15Å; L71-L75 HydrophobicContact CG-CD1 4.03Å; L71-L75 WeakPolarHBondContact O-CG 3.3Å; L71-L75 PolarHBondContact O-N 3.14Å; L71-V91 HydrophobicContact CD2-CG1 4.2Å |
| 72 | S | 96.6 | Very high | 96.4 | Very high | 31 Ų | 31 | 62.1 Ų | 62.1 | 22% | 0.217 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 179.5 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | D70 V74 L75 K76 L88 V91 | D70-S72 VanDerWaalsContact C-N 3.32Å; D70-S72 PolarHBondContact O-N 2.99Å; D70-S72 WeakPolarHBondContact OD2-CB 3.4Å; D70-S72 PolarHBondContact OD2-N 3.43Å; S72-V74 VanDerWaalsContact C-N 3.34Å; S72-V74 PolarHBondContact O-N 2.93Å; S72-L75 PolarHBondContact O-N 3.15Å; S72-K76 WeakPolarHBondContact O-CG 3.44Å; S72-K76 PolarHBondContact O-N 3.32Å; S72-K76 VanDerWaalsContact O-N 3.12Å; S72-L88 WeakPolarHBondContact O-CD2 3.41Å; S72-V91 WeakPolarHBondContact OG-CG2 3.39Å |
| 73 | G | 96.4 | Very high | 96.3 | Very high | 25 Ų | 25 | 62.9 Ų | 62.9 | 26% | 0.258 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.5 | -33.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D70 L71 K77 | D70-G73 PolarHBondContact O-N 2.97Å; D70-G73 VanDerWaalsContact O-N 3.16Å; D70-G73 PolarHBondContact OD2-N 3.28Å; L71-G73 VanDerWaalsContact C-N 3.33Å; L71-G73 PolarHBondContact O-N 3.28Å; G73-K77 WeakPolarHBondContact O-CG 3.24Å |
| 74 | V | 97.2 | Very high | 96.2 | Very high | 15 Ų | 15 | 64.6 Ų | 64.6 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -76.3 | -42.7 | 175.7 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | L36 F63 Q69 D70 L71 S72 K76 K77 V78 | L36-V74 HydrophobicContact CD1-CB 4.41Å; L36-V74 HydrophobicContact CD1-CG1 3.81Å; L36-V74 HydrophobicContact CD2-CG1 4.25Å; L36-V74 HydrophobicContact CG-CG1 4.44Å; F63-V74 HydrophobicContact CE1-CG2 4.15Å; F63-V74 HydrophobicContact CZ-CG2 4.32Å; Q69-V74 HydrophobicContact CB-CG2 3.75Å; D70-V74 WeakPolarHBondContact O-CG2 3.46Å; D70-V74 PolarHBondContact O-N 3.37Å; L71-V74 PolarHBondContact O-N 3.28Å; S72-V74 VanDerWaalsContact C-N 3.34Å; S72-V74 PolarHBondContact O-N 2.93Å; V74-K76 VanDerWaalsContact C-N 3.28Å; V74-K76 PolarHBondContact O-N 2.91Å; V74-K77 PolarHBondContact O-N 2.58Å; V74-V78 HydrophobicContact CG1-CG2 4.12Å; V74-V78 WeakPolarHBondContact O-CG2 3.27Å; V74-V78 PolarHBondContact O-N 3.37Å; V74-V78 VanDerWaalsContact O-N 3.13Å |
| 75 | L | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -53.9 | -45.8 | 175 | -74.6 | 167.3 | 0 | 0 | 0 | 111.2 | L36 L44 L48 L71 S72 K77 V78 L79 L88 V91 | L36-L75 HydrophobicContact CD2-CD2 3.93Å; L44-L75 HydrophobicContact CD1-CD2 4.14Å; L48-L75 HydrophobicContact CD1-CD1 4.46Å; L71-L75 HydrophobicContact CD1-CD1 4.13Å; L71-L75 HydrophobicContact CD1-CG 4.15Å; L71-L75 HydrophobicContact CG-CD1 4.03Å; L71-L75 WeakPolarHBondContact O-CG 3.3Å; L71-L75 PolarHBondContact O-N 3.14Å; S72-L75 PolarHBondContact O-N 3.15Å; L75-K77 PolarHBondContact O-N 3.07Å; L75-V78 PolarHBondContact O-N 2.97Å; L75-L79 HydrophobicContact CB-CD1 4.48Å; L75-L79 HydrophobicContact CD2-CD1 3.65Å; L75-L79 WeakPolarHBondContact O-CB 3.48Å; L75-L79 PolarHBondContact O-N 3.17Å; L75-L88 HydrophobicContact CB-CD2 3.96Å; L75-L88 HydrophobicContact CD1-CD2 4.41Å; L75-V91 HydrophobicContact CD1-CG1 4.25Å; L75-V91 HydrophobicContact CD1-CG2 4.2Å |
| 76 | K | 95.6 | Very high | 96.2 | Very high | 115 Ų | 115 | 60 Ų | 60 | 50% | 0.5 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.4 | -26.5 | 175.6 | -76.8 | 176.2 | 178.1 | -178.5 | 0 | 115.3 | S72 V74 E84 L88 | S72-K76 WeakPolarHBondContact O-CG 3.44Å; S72-K76 PolarHBondContact O-N 3.32Å; S72-K76 VanDerWaalsContact O-N 3.12Å; V74-K76 VanDerWaalsContact C-N 3.28Å; V74-K76 PolarHBondContact O-N 2.91Å; K76-E84 WeakPolarHBondContact CA-OE1 3.29Å; K76-E84 WeakPolarHBondContact CG-OE1 3.34Å; K76-L88 HydrophobicContact CD-CD1 4.23Å; K76-L88 HydrophobicContact CG-CD1 3.55Å; K76-L88 HydrophobicContact CG-CD2 3.93Å; K76-L88 HydrophobicContact CG-CG 4.34Å |
| 77 | K | 94.3 | Very high | 96.2 | Very high | 176 Ų | 176 | 56 Ų | 56 | 77% | 0.765 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -89 | -28.5 | -179 | -70.2 | 172.6 | -176.3 | 176.3 | 0 | 112.4 | G73 V74 L75 | G73-K77 WeakPolarHBondContact O-CG 3.24Å; V74-K77 PolarHBondContact O-N 2.58Å; L75-K77 PolarHBondContact O-N 3.07Å |
| 78 | V | 93.8 | Very high | 96.2 | Very high | 48 Ų | 48 | 55.2 Ų | 55.2 | 29% | 0.291 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -97.1 | -36.8 | -171.7 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | L36 K39 V74 L75 | L36-V78 HydrophobicContact CD2-CB 4.12Å; L36-V78 HydrophobicContact CD2-CG1 4.2Å; L36-V78 HydrophobicContact CD2-CG2 4.17Å; K39-V78 HydrophobicContact CG-CG1 4.23Å; V74-V78 HydrophobicContact CG1-CG2 4.12Å; V74-V78 WeakPolarHBondContact O-CG2 3.27Å; V74-V78 PolarHBondContact O-N 3.37Å; V74-V78 VanDerWaalsContact O-N 3.13Å; L75-V78 PolarHBondContact O-N 2.97Å |
| 79 | L | 94.5 | Very high | 96.3 | Very high | 21 Ų | 21 | 47.9 Ų | 47.9 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | trans | -99.8 | 165 | -178.8 | -55.9 | 174.7 | 0 | 0 | 0 | 110.5 | A41 L44 L75 E84 L87 | A41-L79 HydrophobicContact CB-CD2 4.44Å; L44-L79 HydrophobicContact CD1-CD1 4.24Å; L44-L79 HydrophobicContact CD1-CD2 4.18Å; L75-L79 HydrophobicContact CB-CD1 4.48Å; L75-L79 HydrophobicContact CD2-CD1 3.65Å; L75-L79 WeakPolarHBondContact O-CB 3.48Å; L75-L79 PolarHBondContact O-N 3.17Å; L79-E84 HydrophobicContact CB-CB 3.71Å; L79-E84 HydrophobicContact CB-CG 3.96Å; L79-L87 HydrophobicContact CD1-CB 4.37Å; L79-L87 HydrophobicContact CD1-CD1 3.64Å; L79-L87 HydrophobicContact CD1-CG 4.48Å | ||
| 80 | S | 93.1 | Very high | 96.3 | Very high | 100 Ų | 100 | 43 Ų | 43 | 70% | 0.699 | 24% | 0.237 | S | C | * | . | trans | -144.8 | 156.8 | 172.9 | 61.1 | 0 | 0 | 0 | 0 | 112 | E84 | S80-E84 VanDerWaalsContact CA-OE2 3.24Å; S80-E84 WeakPolarHBondContact CA-OE2 3.36Å | ||
| 81 | G | 94.4 | Very high | 96.4 | Very high | 40 Ų | 40 | 38.9 Ų | 38.9 | 41% | 0.412 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | 68.8 | -151.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L83 E84 E85 | G81-L83 VanDerWaalsContact C-N 3.27Å; G81-L83 PolarHBondContact O-N 3.11Å; G81-E84 VanDerWaalsContact O-CB 3.3Å; G81-E84 WeakPolarHBondContact O-CB 3.4Å; G81-E84 PolarHBondContact O-N 3Å; G81-E85 PolarHBondContact O-N 3.28Å; G81-E85 VanDerWaalsContact O-N 3.1Å |
| 82 | E | 94.5 | Very high | 96.4 | Very high | 73 Ų | 73 | 40 Ų | 40 | 34% | 0.341 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.5 | -31 | -169 | -60.8 | -64.7 | 167.7 | 0 | 0 | 114.3 | L86 T259 Q263 | E82-L86 WeakPolarHBondContact O-CB 3.31Å; E82-L86 PolarHBondContact O-N 3.42Å; E82-T259 HydrophobicContact CB-CG2 4.27Å; E82-T259 HydrophobicContact CG-CG2 4.02Å; E82-T259 WeakPolarHBondContact OE2-CG2 3.44Å; E82-Q263 PolarHBondContact O-NE2 3.38Å |
| 83 | L | 95.6 | Very high | 96.4 | Very high | 22 Ų | 22 | 41.6 Ų | 41.6 | 12% | 0.115 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.5 | -40.5 | 175.8 | -178.6 | 66.8 | 0 | 0 | 0 | 111.6 | A41 V45 G81 E85 L86 L87 E300 A304 | A41-L83 HydrophobicContact CB-CD2 3.85Å; V45-L83 HydrophobicContact CG2-CD1 3.85Å; G81-L83 VanDerWaalsContact C-N 3.27Å; G81-L83 PolarHBondContact O-N 3.11Å; L83-E85 VanDerWaalsContact C-N 3.32Å; L83-L86 PolarHBondContact O-N 3.42Å; L83-L87 HydrophobicContact CD1-CD1 4.36Å; L83-L87 HydrophobicContact CD1-CG 4.14Å; L83-L87 HydrophobicContact CG-CD1 4.32Å; L83-L87 HydrophobicContact CG-CG 4.36Å; L83-L87 WeakPolarHBondContact O-CB 3.43Å; L83-L87 WeakPolarHBondContact O-CG 3.4Å; L83-L87 PolarHBondContact O-N 3.19Å; L83-E300 HydrophobicContact CD1-CB 4.16Å; L83-E300 HydrophobicContact CD2-CB 3.58Å; L83-E300 HydrophobicContact CD2-CG 4.38Å; L83-E300 HydrophobicContact CG-CB 4.49Å; L83-A304 HydrophobicContact CD1-CB 4.36Å |
| 84 | E | 97 | Very high | 96.5 | Very high | 39 Ų | 39 | 43.3 Ų | 43.3 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.7 | -50 | 173.9 | -177.5 | -160.1 | 159.1 | 0 | 0 | 109.5 | K76 L79 S80 G81 L86 L87 L88 | K76-E84 WeakPolarHBondContact CA-OE1 3.29Å; K76-E84 WeakPolarHBondContact CG-OE1 3.34Å; L79-E84 HydrophobicContact CB-CB 3.71Å; L79-E84 HydrophobicContact CB-CG 3.96Å; S80-E84 VanDerWaalsContact CA-OE2 3.24Å; S80-E84 WeakPolarHBondContact CA-OE2 3.36Å; G81-E84 VanDerWaalsContact O-CB 3.3Å; G81-E84 WeakPolarHBondContact O-CB 3.4Å; G81-E84 PolarHBondContact O-N 3Å; E84-L86 VanDerWaalsContact C-N 3.35Å; E84-L86 PolarHBondContact O-N 3.16Å; E84-L87 PolarHBondContact O-N 2.72Å; E84-L88 HydrophobicContact CG-CD1 3.83Å; E84-L88 HydrophobicContact CG-CG 4.39Å; E84-L88 WeakPolarHBondContact O-CB 3.19Å; E84-L88 WeakPolarHBondContact O-CG 2.95Å; E84-L88 PolarHBondContact O-N 2.85Å |
| 85 | E | 96.9 | Very high | 96.5 | Very high | 83 Ų | 83 | 44.7 Ų | 44.7 | 39% | 0.388 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.8 | -46.2 | 179.2 | -67.1 | -173 | -169.3 | 0 | 0 | 112 | G81 L83 L88 Q89 | G81-E85 PolarHBondContact O-N 3.28Å; G81-E85 VanDerWaalsContact O-N 3.1Å; L83-E85 VanDerWaalsContact C-N 3.32Å; E85-L88 PolarHBondContact O-N 3.07Å; E85-Q89 VanDerWaalsContact O-CG 3.24Å; E85-Q89 WeakPolarHBondContact O-CG 3.22Å; E85-Q89 PolarHBondContact O-N 3.5Å; E85-Q89 PolarHBondContact O-NE2 3.1Å |
| 86 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 178 | 178.8 | 54.7 | 0 | 0 | 0 | 112.4 | E82 L83 E84 L88 Q89 L90 Q263 V267 A304 L305 I308 | E82-L86 WeakPolarHBondContact O-CB 3.31Å; E82-L86 PolarHBondContact O-N 3.42Å; L83-L86 PolarHBondContact O-N 3.42Å; E84-L86 VanDerWaalsContact C-N 3.35Å; E84-L86 PolarHBondContact O-N 3.16Å; L86-L88 VanDerWaalsContact C-N 3.3Å; L86-L88 PolarHBondContact O-N 3.09Å; L86-Q89 PolarHBondContact O-N 3.4Å; L86-L90 WeakPolarHBondContact O-CG 3.42Å; L86-L90 PolarHBondContact O-N 3.38Å; L86-Q263 HydrophobicContact CB-CG 4.3Å; L86-Q263 HydrophobicContact CD1-CB 4.1Å; L86-Q263 HydrophobicContact CD1-CG 4.03Å; L86-Q263 HydrophobicContact CD2-CG 4.47Å; L86-Q263 HydrophobicContact CG-CG 4.5Å; L86-V267 HydrophobicContact CD1-CG2 3.56Å; L86-A304 HydrophobicContact CD2-CB 3.48Å; L86-A304 VanDerWaalsContact CD2-CB 3.48Å; L86-A304 HydrophobicContact CG-CB 4.44Å; L86-L305 HydrophobicContact CD1-CD2 4.44Å; L86-L305 HydrophobicContact CD2-CD2 3.91Å; L86-L305 HydrophobicContact CD2-CG 4.08Å; L86-I308 HydrophobicContact CD1-CD1 3.98Å |
| 87 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.1 | -31.9 | -179.4 | -67.1 | -168.6 | 0 | 0 | 0 | 112.1 | L44 V45 L48 L79 L83 E84 L90 V91 | L44-L87 HydrophobicContact CB-CD1 3.94Å; V45-L87 HydrophobicContact CG2-CD1 4.35Å; V45-L87 HydrophobicContact CG2-CD2 4.15Å; L48-L87 HydrophobicContact CB-CD2 4.44Å; L48-L87 HydrophobicContact CD1-CB 4.26Å; L48-L87 HydrophobicContact CD1-CD1 4.39Å; L48-L87 HydrophobicContact CD1-CD2 4.18Å; L79-L87 HydrophobicContact CD1-CB 4.37Å; L79-L87 HydrophobicContact CD1-CD1 3.64Å; L79-L87 HydrophobicContact CD1-CG 4.48Å; L83-L87 HydrophobicContact CD1-CD1 4.36Å; L83-L87 HydrophobicContact CD1-CG 4.14Å; L83-L87 HydrophobicContact CG-CD1 4.32Å; L83-L87 HydrophobicContact CG-CG 4.36Å; L83-L87 WeakPolarHBondContact O-CB 3.43Å; L83-L87 WeakPolarHBondContact O-CG 3.4Å; L83-L87 PolarHBondContact O-N 3.19Å; E84-L87 PolarHBondContact O-N 2.72Å; L87-L90 HydrophobicContact CD2-CD1 3.73Å; L87-L90 PolarHBondContact O-N 2.95Å; L87-V91 PolarHBondContact O-N 3.48Å |
| 88 | L | 98.3 | Very high | 96.9 | Very high | 11 Ų | 11 | 34.4 Ų | 34.4 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.8 | -45.7 | 171 | -70.7 | 171.1 | 0 | 0 | 0 | 111.8 | S72 L75 K76 E84 E85 L86 L90 V91 M92 | S72-L88 WeakPolarHBondContact O-CD2 3.41Å; L75-L88 HydrophobicContact CB-CD2 3.96Å; L75-L88 HydrophobicContact CD1-CD2 4.41Å; K76-L88 HydrophobicContact CD-CD1 4.23Å; K76-L88 HydrophobicContact CG-CD1 3.55Å; K76-L88 HydrophobicContact CG-CD2 3.93Å; K76-L88 HydrophobicContact CG-CG 4.34Å; E84-L88 HydrophobicContact CG-CD1 3.83Å; E84-L88 HydrophobicContact CG-CG 4.39Å; E84-L88 WeakPolarHBondContact O-CB 3.19Å; E84-L88 WeakPolarHBondContact O-CG 2.95Å; E84-L88 PolarHBondContact O-N 2.85Å; E85-L88 PolarHBondContact O-N 3.07Å; L86-L88 VanDerWaalsContact C-N 3.3Å; L86-L88 PolarHBondContact O-N 3.09Å; L88-L90 PolarHBondContact O-N 3.36Å; L88-V91 WeakPolarHBondContact O-CG2 3.48Å; L88-V91 PolarHBondContact O-N 3.32Å; L88-V91 VanDerWaalsContact O-N 3.09Å; L88-M92 WeakPolarHBondContact O-CG 3.41Å; L88-M92 PolarHBondContact O-N 2.86Å; L88-M92 VanDerWaalsContact O-N 3.12Å |
| 89 | Q | 98.3 | Very high | 97.1 | Very high | 11 Ų | 11 | 32.1 Ų | 32.1 | 5% | 0.051 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.1 | -37.8 | 175.7 | -72.1 | 170.6 | 48.5 | 0 | 0 | 111.8 | E85 L86 V91 M92 L97 Q263 V267 | E85-Q89 VanDerWaalsContact O-CG 3.24Å; E85-Q89 WeakPolarHBondContact O-CG 3.22Å; E85-Q89 PolarHBondContact O-N 3.5Å; E85-Q89 PolarHBondContact O-NE2 3.1Å; L86-Q89 PolarHBondContact O-N 3.4Å; Q89-V91 VanDerWaalsContact C-N 3.34Å; Q89-V91 PolarHBondContact O-N 3.43Å; Q89-M92 PolarHBondContact O-N 3.44Å; Q89-L97 HydrophobicContact CB-CD1 3.74Å; Q89-L97 HydrophobicContact CG-CD1 3.58Å; Q89-Q263 VanDerWaalsContact NE2-OE1 3.12Å; Q89-V267 HydrophobicContact CB-CG1 4.37Å; Q89-V267 HydrophobicContact CB-CG2 4.33Å |
| 90 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.8 | -34.8 | 176.4 | -73.2 | 175.6 | 0 | 0 | 0 | 112.9 | L48 T49 R56 L86 L87 L88 V267 I308 | L48-L90 HydrophobicContact CB-CD1 4.29Å; T49-L90 HydrophobicContact CG2-CD1 3.82Å; R56-L90 VanDerWaalsContact CD-O 3.24Å; R56-L90 WeakPolarHBondContact CD-O 3.22Å; R56-L90 PolarHBondContact NE-O 3.46Å; R56-L90 VanDerWaalsContact NE-O 3.11Å; R56-L90 VanDerWaalsContact NH1-CA 3.28Å; R56-L90 PolarHBondContact NH1-O 3.43Å; L86-L90 WeakPolarHBondContact O-CG 3.42Å; L86-L90 PolarHBondContact O-N 3.38Å; L87-L90 HydrophobicContact CD2-CD1 3.73Å; L87-L90 PolarHBondContact O-N 2.95Å; L88-L90 PolarHBondContact O-N 3.36Å; L90-V267 HydrophobicContact CD2-CG1 4.07Å; L90-V267 HydrophobicContact CD2-CG2 3.8Å; L90-V267 HydrophobicContact CG-CG2 4.27Å; L90-I308 HydrophobicContact CD2-CD1 3.91Å; L90-I308 HydrophobicContact CD2-CG1 4.26Å |
| 91 | V | 98 | Very high | 97.5 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -89.6 | -11.2 | -179 | -61 | 0 | 0 | 0 | 0 | 113.9 | L48 Q57 L71 S72 L75 L87 L88 Q89 | L48-V91 HydrophobicContact CD1-CG1 4.12Å; L48-V91 HydrophobicContact CD2-CG1 3.83Å; Q57-V91 PolarHBondContact NE2-O 3.18Å; L71-V91 HydrophobicContact CD2-CG1 4.2Å; S72-V91 WeakPolarHBondContact OG-CG2 3.39Å; L75-V91 HydrophobicContact CD1-CG1 4.25Å; L75-V91 HydrophobicContact CD1-CG2 4.2Å; L87-V91 PolarHBondContact O-N 3.48Å; L88-V91 WeakPolarHBondContact O-CG2 3.48Å; L88-V91 PolarHBondContact O-N 3.32Å; L88-V91 VanDerWaalsContact O-N 3.09Å; Q89-V91 VanDerWaalsContact C-N 3.34Å; Q89-V91 PolarHBondContact O-N 3.43Å |
| 92 | M | 97.7 | Very high | 97.7 | Very high | 26 Ų | 26 | 28 Ų | 28 | 13% | 0.128 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -68.7 | 150.5 | 173.9 | -74 | -171.8 | -168.5 | 0 | 0 | 111.9 | N53 L88 Q89 Q96 L97 Q100 | N53-M92 PolarHBondContact ND2-O 2.94Å; L88-M92 WeakPolarHBondContact O-CG 3.41Å; L88-M92 PolarHBondContact O-N 2.86Å; L88-M92 VanDerWaalsContact O-N 3.12Å; Q89-M92 PolarHBondContact O-N 3.44Å; M92-Q96 HydrophobicContact CB-CB 4.09Å; M92-Q96 HydrophobicContact CG-CB 4.41Å; M92-Q96 HydrophobicContact SD-CB 4.36Å; M92-L97 HydrophobicContact CB-CB 4.44Å; M92-Q100 HydrophobicContact SD-CB 4.5Å; M92-Q100 PolarHBondContact SD-OE1 3.43Å |
| 93 | L | 97.8 | Very high | 97.9 | Very high | 64 Ų | 64 | 26.9 Ų | 26.9 | 34% | 0.335 | 13% | 0.132 | S | C | . | . | trans | -61.9 | 150.6 | 162.8 | -71.4 | 169.6 | 0 | 0 | 0 | 109.9 | Q57 E95 Q96 L97 | Q57-L93 HydrophobicContact CG-CD2 3.67Å; L93-E95 PolarHBondContact O-N 3.37Å; L93-E95 VanDerWaalsContact O-N 3.17Å; L93-Q96 HydrophobicContact CB-CB 4.37Å; L93-Q96 HydrophobicContact CB-CG 4.05Å; L93-Q96 WeakPolarHBondContact O-CB 3.41Å; L93-Q96 PolarHBondContact O-N 2.97Å; L93-L97 PolarHBondContact O-N 3.44Å | ||
| 94 | P | 97.3 | Very high | 97.9 | Very high | 60 Ų | 60 | 29 Ų | 29 | 39% | 0.39 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -52.6 | -40.6 | 180 | -27.2 | 36.3 | 0 | 0 | 0 | 113.1 | Q96 L97 E98 | P94-Q96 VanDerWaalsContact C-N 3.35Å; P94-Q96 PolarHBondContact O-N 3Å; P94-L97 WeakPolarHBondContact O-CB 3.32Å; P94-L97 PolarHBondContact O-N 3.5Å; P94-E98 PolarHBondContact O-N 2.94Å |
| 95 | E | 97.8 | Very high | 97.9 | Very high | 45 Ų | 45 | 27.4 Ų | 27.4 | 21% | 0.21 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -72.3 | -30.7 | -178.5 | -53.2 | 73.7 | -156.5 | 0 | 0 | 112.2 | L93 A99 E130 V131 V134 | L93-E95 PolarHBondContact O-N 3.37Å; L93-E95 VanDerWaalsContact O-N 3.17Å; E95-A99 VanDerWaalsContact O-CB 3.27Å; E95-A99 WeakPolarHBondContact O-CB 3.27Å; E95-A99 PolarHBondContact O-N 2.92Å; E95-E130 HydrophobicContact CG-CB 3.89Å; E95-V131 HydrophobicContact CB-CG2 4.01Å; E95-V131 HydrophobicContact CG-CG2 4.37Å; E95-V134 HydrophobicContact CB-CB 4.4Å; E95-V134 HydrophobicContact CB-CG2 4.02Å |
| 96 | Q | 98.4 | Very high | 97.9 | Very high | 65 Ų | 65 | 23.7 Ų | 23.7 | 30% | 0.304 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -69.7 | -40.5 | 173.5 | -68.4 | 173.4 | -20.7 | 0 | 0 | 111 | M92 L93 P94 A99 Q100 V134 M138 | M92-Q96 HydrophobicContact CB-CB 4.09Å; M92-Q96 HydrophobicContact CG-CB 4.41Å; M92-Q96 HydrophobicContact SD-CB 4.36Å; L93-Q96 HydrophobicContact CB-CB 4.37Å; L93-Q96 HydrophobicContact CB-CG 4.05Å; L93-Q96 WeakPolarHBondContact O-CB 3.41Å; L93-Q96 PolarHBondContact O-N 2.97Å; P94-Q96 VanDerWaalsContact C-N 3.35Å; P94-Q96 PolarHBondContact O-N 3Å; Q96-A99 PolarHBondContact O-N 2.93Å; Q96-Q100 WeakPolarHBondContact O-CB 3.45Å; Q96-Q100 PolarHBondContact O-N 3.26Å; Q96-V134 HydrophobicContact CB-CG1 4.24Å; Q96-V134 HydrophobicContact CG-CG1 3.62Å; Q96-M138 HydrophobicContact CB-CE 4.44Å; Q96-M138 HydrophobicContact CB-SD 3.99Å; Q96-M138 HydrophobicContact CG-SD 3.98Å |
| 97 | L | 98.2 | Very high | 97.6 | Very high | 5 Ų | 5 | 26.4 Ų | 26.4 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.8 | -51.1 | 174.7 | 174.4 | 62.4 | 0 | 0 | 0 | 110.6 | Q89 M92 L93 P94 A99 Q100 R101 V267 | Q89-L97 HydrophobicContact CB-CD1 3.74Å; Q89-L97 HydrophobicContact CG-CD1 3.58Å; M92-L97 HydrophobicContact CB-CB 4.44Å; L93-L97 PolarHBondContact O-N 3.44Å; P94-L97 WeakPolarHBondContact O-CB 3.32Å; P94-L97 PolarHBondContact O-N 3.5Å; L97-A99 VanDerWaalsContact C-N 3.33Å; L97-A99 PolarHBondContact O-N 3.03Å; L97-Q100 WeakPolarHBondContact O-CB 3.18Å; L97-Q100 PolarHBondContact O-N 2.99Å; L97-R101 HydrophobicContact CD1-CG 4.15Å; L97-R101 HydrophobicContact CG-CG 4.49Å; L97-R101 VanDerWaalsContact O-CG 3.29Å; L97-R101 WeakPolarHBondContact O-CG 3.38Å; L97-R101 PolarHBondContact O-N 2.73Å; L97-V267 HydrophobicContact CD2-CB 4.1Å; L97-V267 HydrophobicContact CD2-CG1 3.59Å |
| 98 | E | 98.4 | Very high | 97 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.4 | -38.5 | 178.8 | -60.4 | -53 | 167.9 | 0 | 0 | 112.2 | P94 Q100 R101 L102 I119 R123 V131 S268 | P94-E98 PolarHBondContact O-N 2.94Å; E98-Q100 VanDerWaalsContact C-N 3.31Å; E98-Q100 PolarHBondContact O-N 3.46Å; E98-R101 PolarHBondContact O-N 2.77Å; E98-R101 IonicContact OE1-NH1 2.83Å; E98-R101 PolarHBondContact OE1-NH1 3.16Å; E98-R101 IonicContact OE2-CZ 3.54Å; E98-R101 IonicContact OE2-NH1 3.46Å; E98-R101 PolarHBondContact OE2-NH1 3.46Å; E98-L102 WeakPolarHBondContact O-CB 3.45Å; E98-L102 VanDerWaalsContact O-CG 3.28Å; E98-L102 WeakPolarHBondContact O-CG 3.23Å; E98-L102 PolarHBondContact O-N 2.82Å; E98-I119 HydrophobicContact CB-CG2 4.18Å; E98-I119 HydrophobicContact CG-CG2 4.38Å; E98-I119 WeakPolarHBondContact OE2-CD1 3.38Å; E98-I119 WeakPolarHBondContact OE2-CG1 3.33Å; E98-R123 IonicContact OE1-CZ 3.82Å; E98-R123 IonicContact OE1-NE 2.77Å; E98-R123 PolarHBondContact OE1-NE 3.26Å; E98-R123 IonicContact OE1-NH2 2.73Å; E98-R123 PolarHBondContact OE1-NH2 3.43Å; E98-V131 HydrophobicContact CB-CG1 4.11Å; E98-V131 HydrophobicContact CB-CG2 3.8Å; E98-V131 HydrophobicContact CG-CG2 4.39Å; E98-S268 PolarHBondContact OE1-OG 2.84Å |
| 99 | A | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -41.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E95 Q96 L97 K103 V131 V134 Y135 M138 Y139 | E95-A99 VanDerWaalsContact O-CB 3.27Å; E95-A99 WeakPolarHBondContact O-CB 3.27Å; E95-A99 PolarHBondContact O-N 2.92Å; Q96-A99 PolarHBondContact O-N 2.93Å; L97-A99 VanDerWaalsContact C-N 3.33Å; L97-A99 PolarHBondContact O-N 3.03Å; A99-K103 WeakPolarHBondContact O-CB 3.35Å; A99-K103 PolarHBondContact O-N 3.3Å; A99-V131 HydrophobicContact CB-CG1 4.29Å; A99-V134 HydrophobicContact CB-CG1 4.18Å; A99-Y135 HydrophobicContact CB-CD2 4.01Å; A99-Y135 HydrophobicContact CB-CG 4.5Å; A99-Y135 WeakPolarHBondContact O-CD2 3.31Å; A99-M138 HydrophobicContact CB-SD 4.09Å; A99-Y139 HydrophobicContact CB-CE2 4.45Å |
| 100 | Q | 98.2 | Very high | 95.6 | Very high | 53 Ų | 53 | 40.2 Ų | 40.2 | 25% | 0.248 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 174.7 | -176.8 | -167.7 | -6.5 | 0 | 0 | 111.8 | M92 Q96 L97 E98 K103 A104 Y139 | M92-Q100 HydrophobicContact SD-CB 4.5Å; M92-Q100 PolarHBondContact SD-OE1 3.43Å; Q96-Q100 WeakPolarHBondContact O-CB 3.45Å; Q96-Q100 PolarHBondContact O-N 3.26Å; L97-Q100 WeakPolarHBondContact O-CB 3.18Å; L97-Q100 PolarHBondContact O-N 2.99Å; E98-Q100 VanDerWaalsContact C-N 3.31Å; E98-Q100 PolarHBondContact O-N 3.46Å; Q100-K103 PolarHBondContact O-N 3.03Å; Q100-A104 WeakPolarHBondContact O-CB 3.41Å; Q100-A104 PolarHBondContact O-N 3.02Å; Q100-Y139 VanDerWaalsContact CA-OH 3.29Å; Q100-Y139 WeakPolarHBondContact CA-OH 3.41Å |
| 101 | R | 98.1 | Very high | 95.3 | Very high | 22 Ų | 22 | 41.2 Ų | 41.2 | 8% | 0.083 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 179.8 | -67.7 | 173.5 | 71.1 | -152.5 | 7 | 111.7 | L97 E98 K103 A104 A105 E118 I119 S268 | L97-R101 HydrophobicContact CD1-CG 4.15Å; L97-R101 HydrophobicContact CG-CG 4.49Å; L97-R101 VanDerWaalsContact O-CG 3.29Å; L97-R101 WeakPolarHBondContact O-CG 3.38Å; L97-R101 PolarHBondContact O-N 2.73Å; E98-R101 PolarHBondContact O-N 2.77Å; E98-R101 IonicContact OE1-NH1 2.83Å; E98-R101 PolarHBondContact OE1-NH1 3.16Å; E98-R101 IonicContact OE2-CZ 3.54Å; E98-R101 IonicContact OE2-NH1 3.46Å; E98-R101 PolarHBondContact OE2-NH1 3.46Å; R101-K103 VanDerWaalsContact C-N 3.34Å; R101-K103 PolarHBondContact O-N 3.32Å; R101-A104 PolarHBondContact O-N 3.3Å; R101-A105 WeakPolarHBondContact O-CB 3.45Å; R101-A105 PolarHBondContact O-N 2.84Å; R101-E118 IonicContact CZ-OE1 3.75Å; R101-E118 IonicContact NH1-OE1 2.86Å; R101-E118 IonicContact NH2-OE1 3.38Å; R101-E118 PolarHBondContact NH2-OE1 2.82Å; R101-I119 HydrophobicContact CB-CD1 3.56Å; R101-S268 PolarHBondContact NH1-OG 3.01Å |
| 102 | L | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 171.7 | -71.4 | 170.7 | 0 | 0 | 0 | 111.3 | E98 A104 A105 M106 L116 I119 V131 Y135 L143 | E98-L102 WeakPolarHBondContact O-CB 3.45Å; E98-L102 VanDerWaalsContact O-CG 3.28Å; E98-L102 WeakPolarHBondContact O-CG 3.23Å; E98-L102 PolarHBondContact O-N 2.82Å; L102-A104 VanDerWaalsContact C-N 3.33Å; L102-A104 PolarHBondContact O-N 3.46Å; L102-A105 PolarHBondContact O-N 3.16Å; L102-M106 HydrophobicContact CB-CE 4.28Å; L102-M106 VanDerWaalsContact O-CE 3.25Å; L102-M106 WeakPolarHBondContact O-CE 3.38Å; L102-M106 PolarHBondContact O-N 3.23Å; L102-M106 VanDerWaalsContact O-N 3.16Å; L102-L116 HydrophobicContact CD2-CD2 3.53Å; L102-I119 HydrophobicContact CD1-CG2 4.3Å; L102-I119 HydrophobicContact CD2-CB 4.14Å; L102-I119 HydrophobicContact CD2-CD1 3.94Å; L102-I119 HydrophobicContact CD2-CG2 4.11Å; L102-I119 HydrophobicContact CG-CD1 3.94Å; L102-I119 HydrophobicContact CG-CG2 4.17Å; L102-V131 HydrophobicContact CD1-CG1 3.69Å; L102-Y135 HydrophobicContact CB-CE2 4.44Å; L102-L143 HydrophobicContact CB-CD1 4.46Å; L102-L143 HydrophobicContact CD1-CD1 4.16Å; L102-L143 HydrophobicContact CD1-CD2 3.85Å |
| 103 | K | 97.9 | Very high | 95.1 | Very high | 49 Ų | 49 | 44 Ų | 44 | 21% | 0.213 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 178.2 | -176.7 | 63.6 | -164.4 | 146.7 | 0 | 111.9 | A99 Q100 R101 M106 A107 Y135 Y139 E146 | A99-K103 WeakPolarHBondContact O-CB 3.35Å; A99-K103 PolarHBondContact O-N 3.3Å; Q100-K103 PolarHBondContact O-N 3.03Å; R101-K103 VanDerWaalsContact C-N 3.34Å; R101-K103 PolarHBondContact O-N 3.32Å; K103-M106 CarbonylContact O-C 3.37Å; K103-M106 PolarHBondContact O-N 2.95Å; K103-A107 WeakPolarHBondContact O-CB 3.29Å; K103-A107 PolarHBondContact O-N 2.94Å; K103-Y135 HydrophobicContact CB-CE2 3.8Å; K103-Y135 HydrophobicContact CD-CE2 4.19Å; K103-Y135 WeakPolarHBondContact CD-OH 3.34Å; K103-Y139 HydrophobicContact CB-CD2 4.3Å; K103-Y139 HydrophobicContact CB-CE1 4.42Å; K103-Y139 HydrophobicContact CB-CE2 3.73Å; K103-Y139 HydrophobicContact CD-CD1 4.5Å; K103-Y139 HydrophobicContact CD-CD2 4.41Å; K103-Y139 HydrophobicContact CD-CG 4.36Å; K103-Y139 HydrophobicContact CG-CD1 4.3Å; K103-Y139 HydrophobicContact CG-CD2 4.38Å; K103-Y139 HydrophobicContact CG-CE1 4.02Å; K103-Y139 HydrophobicContact CG-CE2 4.1Å; K103-Y139 HydrophobicContact CG-CG 4.48Å; K103-E146 IonicContact NZ-OE2 2.75Å; K103-E146 PolarHBondContact NZ-OE2 2.93Å |
| 104 | A | 96.3 | Very high | 95 | Very high | 67 Ų | 67 | 43.8 Ų | 43.8 | 55% | 0.554 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67.3 | -39.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q100 R101 L102 M106 A107 | Q100-A104 WeakPolarHBondContact O-CB 3.41Å; Q100-A104 PolarHBondContact O-N 3.02Å; R101-A104 PolarHBondContact O-N 3.3Å; L102-A104 VanDerWaalsContact C-N 3.33Å; L102-A104 PolarHBondContact O-N 3.46Å; A104-M106 PolarHBondContact O-N 2.87Å; A104-A107 WeakPolarHBondContact O-CB 3.28Å; A104-A107 PolarHBondContact O-N 2.78Å; A104-A107 VanDerWaalsContact O-N 3.14Å |
| 105 | A | 96.6 | Very high | 94.9 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.7 | -25.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R101 L102 T111 D112 T115 L116 | R101-A105 WeakPolarHBondContact O-CB 3.45Å; R101-A105 PolarHBondContact O-N 2.84Å; L102-A105 PolarHBondContact O-N 3.16Å; A105-T111 CarbonylContact O-C 3.56Å; A105-T111 WeakPolarHBondContact O-CA 3.49Å; A105-D112 HydrophobicContact CB-CB 4.05Å; A105-D112 PolarHBondContact O-N 3Å; A105-T115 HydrophobicContact CB-CG2 4.12Å; A105-L116 HydrophobicContact CB-CD2 3.86Å; A105-L116 HydrophobicContact CB-CG 3.96Å |
| 106 | M | 96.7 | Very high | 94.8 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 12.8 | 176.3 | -72.5 | -174.4 | -67.7 | 0 | 0 | 113.3 | L102 K103 A104 L116 Y135 L143 E146 L147 E150 | L102-M106 HydrophobicContact CB-CE 4.28Å; L102-M106 VanDerWaalsContact O-CE 3.25Å; L102-M106 WeakPolarHBondContact O-CE 3.38Å; L102-M106 PolarHBondContact O-N 3.23Å; L102-M106 VanDerWaalsContact O-N 3.16Å; K103-M106 CarbonylContact O-C 3.37Å; K103-M106 PolarHBondContact O-N 2.95Å; A104-M106 PolarHBondContact O-N 2.87Å; M106-L116 HydrophobicContact CG-CD1 4.24Å; M106-L116 HydrophobicContact CG-CD2 4.02Å; M106-Y135 HydrophobicContact CE-CE2 4.03Å; M106-Y135 WeakPolarHBondContact CE-OH 3.35Å; M106-L143 HydrophobicContact CE-CD1 3.78Å; M106-E146 HydrophobicContact CE-CB 4.16Å; M106-E146 HydrophobicContact SD-CB 3.91Å; M106-L147 HydrophobicContact CE-CD2 4.4Å; M106-L147 HydrophobicContact SD-CD2 3.68Å; M106-L147 HydrophobicContact SD-CG 4.12Å; M106-E150 HydrophobicContact CB-CG 3.95Å; M106-E150 HydrophobicContact CG-CB 4.18Å; M106-E150 HydrophobicContact CG-CG 3.97Å; M106-E150 HydrophobicContact SD-CB 4.45Å; M106-E150 HydrophobicContact SD-CG 4.14Å |
| 107 | A | 91.9 | Very high | 94.7 | Very high | 58 Ų | 58 | 36.4 Ų | 36.4 | 48% | 0.479 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -104.3 | 138.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K103 A104 | K103-A107 WeakPolarHBondContact O-CB 3.29Å; K103-A107 PolarHBondContact O-N 2.94Å; A104-A107 WeakPolarHBondContact O-CB 3.28Å; A104-A107 PolarHBondContact O-N 2.78Å; A104-A107 VanDerWaalsContact O-N 3.14Å |
| 108 | G | 87.2 | Confident | 94.6 | Very high | 67 Ų | 67 | 36.2 Ų | 36.2 | 69% | 0.691 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 98.5 | -153.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 109 | L | 79.8 | Confident | 94.5 | Very high | 192 Ų | 192 | 36 Ų | 36 | 100% | 1.005 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -91.1 | 108.8 | 176.6 | -67.5 | 176.9 | 0 | 0 | 0 | 109 | ||
| 110 | G | 86.3 | Confident | 94.5 | Very high | 52 Ų | 52 | 36 Ų | 36 | 54% | 0.536 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 92.2 | -178.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 111 | T | 92.6 | Very high | 94.3 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 13% | 0.129 | 22% | 0.223 | C | C | . | . | trans | -125.5 | 144.4 | -175.1 | -59.7 | 0 | 0 | 0 | 0 | 108.3 | A105 E113 L116 E150 | A105-T111 CarbonylContact O-C 3.56Å; A105-T111 WeakPolarHBondContact O-CA 3.49Å; T111-E113 HydrophobicContact CG2-CG 4.39Å; T111-E113 VanDerWaalsContact O-CD 3.22Å; T111-E113 PolarHBondContact O-N 3.5Å; T111-L116 HydrophobicContact CG2-CD1 3.31Å; T111-L116 HydrophobicContact CG2-CG 4.23Å; T111-E150 PolarHBondContact OG1-O 3.43Å; T111-E150 VanDerWaalsContact OG1-O 3.04Å | ||
| 112 | D | 94.9 | Very high | 93.9 | Very high | 41 Ų | 41 | 35.5 Ų | 35.5 | 22% | 0.219 | 24% | 0.235 | C | C | . | . | trans | -88.9 | 80.2 | 168.9 | -168.4 | -43.4 | 0 | 0 | 0 | 107.7 | A105 E114 T115 L116 K258 | A105-D112 HydrophobicContact CB-CB 4.05Å; A105-D112 PolarHBondContact O-N 3Å; D112-E114 VanDerWaalsContact C-N 3.26Å; D112-E114 PolarHBondContact O-N 2.98Å; D112-T115 PolarHBondContact O-N 3.46Å; D112-T115 VanDerWaalsContact OD1-CB 3.26Å; D112-T115 WeakPolarHBondContact OD1-CB 3.34Å; D112-T115 PolarHBondContact OD1-N 3.32Å; D112-T115 PolarHBondContact OD1-OG1 3.43Å; D112-T115 PolarHBondContact OD2-OG1 3.28Å; D112-L116 PolarHBondContact O-N 3.08Å; D112-L116 VanDerWaalsContact O-N 3.1Å; D112-K258 IonicContact OD2-NZ 3.48Å; D112-K258 PolarHBondContact OD2-NZ 2.89Å | ||
| 113 | E | 95.9 | Very high | 93.7 | Very high | 48 Ų | 48 | 36.5 Ų | 36.5 | 22% | 0.224 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.9 | -37.2 | -171.5 | -64.6 | 81.2 | -170.6 | 0 | 0 | 112.1 | T111 L116 L117 F155 L234 | T111-E113 HydrophobicContact CG2-CG 4.39Å; T111-E113 VanDerWaalsContact O-CD 3.22Å; T111-E113 PolarHBondContact O-N 3.5Å; E113-L116 WeakPolarHBondContact O-CB 3.39Å; E113-L116 PolarHBondContact O-N 3.33Å; E113-L117 WeakPolarHBondContact O-CB 3.36Å; E113-L117 WeakPolarHBondContact O-CD1 3.49Å; E113-L117 WeakPolarHBondContact O-CG 3.29Å; E113-L117 PolarHBondContact O-N 3.42Å; E113-F155 HydrophobicContact CB-CE1 4.17Å; E113-F155 HydrophobicContact CB-CZ 3.78Å; E113-F155 HydrophobicContact CG-CE1 3.63Å; E113-F155 HydrophobicContact CG-CZ 3.79Å; E113-L234 HydrophobicContact CB-CD2 4.02Å |
| 114 | E | 94.8 | Very high | 93.4 | Very high | 61 Ų | 61 | 37 Ų | 37 | 29% | 0.285 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.1 | -37.6 | 179.9 | -69.4 | -165.8 | 132.3 | 0 | 0 | 112.4 | D112 L117 E118 L234 R237 Y249 R253 | D112-E114 VanDerWaalsContact C-N 3.26Å; D112-E114 PolarHBondContact O-N 2.98Å; E114-L117 PolarHBondContact O-N 3.28Å; E114-E118 WeakPolarHBondContact O-CB 3.38Å; E114-E118 PolarHBondContact O-N 2.82Å; E114-L234 HydrophobicContact CG-CD1 4.12Å; E114-L234 HydrophobicContact CG-CD2 4Å; E114-L234 HydrophobicContact CG-CG 4.47Å; E114-R237 IonicContact OE1-NH2 3.51Å; E114-Y249 PolarHBondContact O-OH 3.1Å; E114-R253 IonicContact OE2-CZ 3.65Å; E114-R253 IonicContact OE2-NH1 3.68Å; E114-R253 PolarHBondContact OE2-NH1 2.96Å |
| 115 | T | 95.4 | Very high | 93.2 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 9% | 0.092 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.3 | -39 | 174.1 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | A105 D112 E118 I119 R253 | A105-T115 HydrophobicContact CB-CG2 4.12Å; D112-T115 PolarHBondContact O-N 3.46Å; D112-T115 VanDerWaalsContact OD1-CB 3.26Å; D112-T115 WeakPolarHBondContact OD1-CB 3.34Å; D112-T115 PolarHBondContact OD1-N 3.32Å; D112-T115 PolarHBondContact OD1-OG1 3.43Å; D112-T115 PolarHBondContact OD2-OG1 3.28Å; T115-E118 PolarHBondContact O-N 3.29Å; T115-I119 HydrophobicContact CG2-CD1 4.21Å; T115-I119 WeakPolarHBondContact O-CG1 3.29Å; T115-I119 PolarHBondContact O-N 2.65Å; T115-R253 PolarHBondContact OG1-NH2 3.3Å |
| 116 | L | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.4 | -51.1 | 172 | -73.7 | -177.1 | 0 | 0 | 0 | 111.3 | L102 A105 M106 T111 D112 E113 E118 I119 L120 L147 T151 | L102-L116 HydrophobicContact CD2-CD2 3.53Å; A105-L116 HydrophobicContact CB-CD2 3.86Å; A105-L116 HydrophobicContact CB-CG 3.96Å; M106-L116 HydrophobicContact CG-CD1 4.24Å; M106-L116 HydrophobicContact CG-CD2 4.02Å; T111-L116 HydrophobicContact CG2-CD1 3.31Å; T111-L116 HydrophobicContact CG2-CG 4.23Å; D112-L116 PolarHBondContact O-N 3.08Å; D112-L116 VanDerWaalsContact O-N 3.1Å; E113-L116 WeakPolarHBondContact O-CB 3.39Å; E113-L116 PolarHBondContact O-N 3.33Å; L116-E118 PolarHBondContact O-N 3.33Å; L116-I119 PolarHBondContact O-N 2.87Å; L116-L120 WeakPolarHBondContact O-CB 3.46Å; L116-L120 WeakPolarHBondContact O-CG 3.25Å; L116-L120 PolarHBondContact O-N 3.48Å; L116-L147 HydrophobicContact CD1-CD2 4.11Å; L116-L147 HydrophobicContact CD2-CD2 3.86Å; L116-T151 HydrophobicContact CD1-CG2 4.49Å |
| 117 | L | 97.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.3 | -40.4 | -179.2 | -73.3 | 163.3 | 0 | 0 | 0 | 111.9 | E113 E114 I119 L120 C121 F155 L162 L234 V238 | E113-L117 WeakPolarHBondContact O-CB 3.36Å; E113-L117 WeakPolarHBondContact O-CD1 3.49Å; E113-L117 WeakPolarHBondContact O-CG 3.29Å; E113-L117 PolarHBondContact O-N 3.42Å; E114-L117 PolarHBondContact O-N 3.28Å; L117-I119 PolarHBondContact O-N 2.71Å; L117-L120 PolarHBondContact O-N 2.89Å; L117-C121 WeakPolarHBondContact O-CB 3.35Å; L117-C121 PolarHBondContact O-N 2.78Å; L117-C121 PolarHBondContact O-SG 3.48Å; L117-F155 HydrophobicContact CD1-CE2 3.96Å; L117-F155 HydrophobicContact CD1-CZ 4.29Å; L117-F155 HydrophobicContact CD2-CE2 4Å; L117-F155 HydrophobicContact CG-CE2 4.11Å; L117-F155 HydrophobicContact CG-CZ 4.3Å; L117-L162 HydrophobicContact CD2-CD1 4.04Å; L117-L234 HydrophobicContact CD1-CG 4.1Å; L117-V238 HydrophobicContact CB-CB 4.24Å; L117-V238 HydrophobicContact CB-CG1 3.75Å; L117-V238 HydrophobicContact CD1-CB 4.18Å; L117-V238 HydrophobicContact CD1-CG2 4.11Å |
| 118 | E | 95.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -54.4 | -50.9 | 176.9 | -179 | -165.6 | 124.1 | 0 | 0 | 111.4 | R101 E114 T115 L116 S122 Y249 L250 R253 I265 | R101-E118 IonicContact CZ-OE1 3.75Å; R101-E118 IonicContact NH1-OE1 2.86Å; R101-E118 IonicContact NH2-OE1 3.38Å; R101-E118 PolarHBondContact NH2-OE1 2.82Å; E114-E118 WeakPolarHBondContact O-CB 3.38Å; E114-E118 PolarHBondContact O-N 2.82Å; T115-E118 PolarHBondContact O-N 3.29Å; L116-E118 PolarHBondContact O-N 3.33Å; E118-S122 VanDerWaalsContact O-CB 3.28Å; E118-S122 WeakPolarHBondContact O-CB 3.43Å; E118-S122 PolarHBondContact O-N 3.14Å; E118-S122 VanDerWaalsContact O-N 3.09Å; E118-S122 PolarHBondContact O-OG 3.44Å; E118-Y249 HydrophobicContact CB-CE1 3.89Å; E118-Y249 HydrophobicContact CG-CE1 3.89Å; E118-L250 HydrophobicContact CG-CD2 3.69Å; E118-R253 IonicContact OE2-CZ 3.36Å; E118-R253 IonicContact OE2-NE 3.46Å; E118-R253 PolarHBondContact OE2-NE 2.94Å; E118-R253 VanDerWaalsContact OE2-NE 3.16Å; E118-R253 IonicContact OE2-NH2 3.46Å; E118-R253 PolarHBondContact OE2-NH2 3.45Å; E118-I265 VanDerWaalsContact OE1-CG1 3.27Å; E118-I265 WeakPolarHBondContact OE1-CG1 3.34Å |
| 119 | I | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.8 | -46.7 | -179 | -61.4 | 169.9 | 0 | 0 | 0 | 110.6 | E98 R101 L102 T115 L116 L117 C121 S122 R123 | E98-I119 HydrophobicContact CB-CG2 4.18Å; E98-I119 HydrophobicContact CG-CG2 4.38Å; E98-I119 WeakPolarHBondContact OE2-CD1 3.38Å; E98-I119 WeakPolarHBondContact OE2-CG1 3.33Å; R101-I119 HydrophobicContact CB-CD1 3.56Å; L102-I119 HydrophobicContact CD1-CG2 4.3Å; L102-I119 HydrophobicContact CD2-CB 4.14Å; L102-I119 HydrophobicContact CD2-CD1 3.94Å; L102-I119 HydrophobicContact CD2-CG2 4.11Å; L102-I119 HydrophobicContact CG-CD1 3.94Å; L102-I119 HydrophobicContact CG-CG2 4.17Å; T115-I119 HydrophobicContact CG2-CD1 4.21Å; T115-I119 WeakPolarHBondContact O-CG1 3.29Å; T115-I119 PolarHBondContact O-N 2.65Å; L116-I119 PolarHBondContact O-N 2.87Å; L117-I119 PolarHBondContact O-N 2.71Å; I119-C121 VanDerWaalsContact C-N 3.32Å; I119-C121 PolarHBondContact O-N 3.02Å; I119-S122 PolarHBondContact O-OG 2.76Å; I119-R123 HydrophobicContact CG2-CG 4.31Å; I119-R123 WeakPolarHBondContact O-CB 3.41Å; I119-R123 VanDerWaalsContact O-CG 3.3Å; I119-R123 WeakPolarHBondContact O-CG 3.15Å; I119-R123 PolarHBondContact O-N 3.22Å |
| 120 | L | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.9 | -31.5 | -176.9 | -69 | 173.1 | 0 | 0 | 0 | 112.6 | L116 L117 L128 V159 L162 L163 K165 | L116-L120 WeakPolarHBondContact O-CB 3.46Å; L116-L120 WeakPolarHBondContact O-CG 3.25Å; L116-L120 PolarHBondContact O-N 3.48Å; L117-L120 PolarHBondContact O-N 2.89Å; L120-L128 HydrophobicContact CD2-CD1 4.44Å; L120-L128 HydrophobicContact CD2-CD2 4.06Å; L120-V159 HydrophobicContact CD1-CB 4.4Å; L120-V159 HydrophobicContact CD1-CG1 3.7Å; L120-V159 HydrophobicContact CD1-CG2 4.49Å; L120-L162 HydrophobicContact CB-CB 3.96Å; L120-L162 HydrophobicContact CB-CD1 4.32Å; L120-L163 HydrophobicContact CD2-CB 4.23Å; L120-L163 HydrophobicContact CD2-CD1 4.18Å; L120-K165 WeakPolarHBondContact O-CE 3.48Å; L120-K165 PolarHBondContact O-NZ 2.93Å |
| 121 | C | 94.1 | Very high | 95.3 | Very high | 15 Ų | 15 | 38.2 Ų | 38.2 | 10% | 0.101 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -79.5 | -42.7 | 177.9 | -64.7 | 0 | 0 | 0 | 0 | 111.7 | L117 I119 K165 L239 C242 | L117-C121 WeakPolarHBondContact O-CB 3.35Å; L117-C121 PolarHBondContact O-N 2.78Å; L117-C121 PolarHBondContact O-SG 3.48Å; I119-C121 VanDerWaalsContact C-N 3.32Å; I119-C121 PolarHBondContact O-N 3.02Å; C121-K165 PolarHBondContact O-NZ 3Å; C121-L239 HydrophobicContact CB-CD1 4.41Å; C121-C242 HydrophobicContact CB-CB 3.72Å |
| 122 | S | 90.7 | Very high | 95.6 | Very high | 48 Ų | 48 | 38.5 Ų | 38.5 | 34% | 0.336 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -77.4 | -27.1 | -172.9 | 66.8 | 0 | 0 | 0 | 0 | 114.5 | E118 I119 | E118-S122 VanDerWaalsContact O-CB 3.28Å; E118-S122 WeakPolarHBondContact O-CB 3.43Å; E118-S122 PolarHBondContact O-N 3.14Å; E118-S122 VanDerWaalsContact O-N 3.09Å; E118-S122 PolarHBondContact O-OG 3.44Å; I119-S122 PolarHBondContact O-OG 2.76Å |
| 123 | R | 93 | Very high | 95.8 | Very high | 22 Ų | 22 | 38.9 Ų | 38.9 | 8% | 0.083 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -89.2 | 144.1 | -174.3 | -59.9 | -63 | 168.6 | -150.3 | 4.3 | 113.2 | E98 I119 T127 L128 K165 S268 E272 | E98-R123 IonicContact OE1-CZ 3.82Å; E98-R123 IonicContact OE1-NE 2.77Å; E98-R123 PolarHBondContact OE1-NE 3.26Å; E98-R123 IonicContact OE1-NH2 2.73Å; E98-R123 PolarHBondContact OE1-NH2 3.43Å; I119-R123 HydrophobicContact CG2-CG 4.31Å; I119-R123 WeakPolarHBondContact O-CB 3.41Å; I119-R123 VanDerWaalsContact O-CG 3.3Å; I119-R123 WeakPolarHBondContact O-CG 3.15Å; I119-R123 PolarHBondContact O-N 3.22Å; R123-T127 HydrophobicContact CB-CG2 4.32Å; R123-T127 HydrophobicContact CG-CG2 4.5Å; R123-L128 HydrophobicContact CB-CD1 4.48Å; R123-L128 HydrophobicContact CB-CD2 3.78Å; R123-L128 HydrophobicContact CB-CG 3.82Å; R123-L128 HydrophobicContact CG-CD2 4.5Å; R123-K165 PolarHBondContact O-NZ 3.36Å; R123-S268 PolarHBondContact NH2-O 3.43Å; R123-S268 PolarHBondContact NH2-OG 2.98Å; R123-E272 IonicContact CZ-OE2 2.71Å; R123-E272 IonicContact NH1-OE1 3.02Å; R123-E272 IonicContact NH1-OE2 2.62Å; R123-E272 PolarHBondContact NH1-OE2 2.92Å; R123-E272 IonicContact NH2-OE2 3.74Å |
| 124 | S | 92.3 | Very high | 95.9 | Very high | 60 Ų | 60 | 37.7 Ų | 37.7 | 42% | 0.42 | 20% | 0.2 | S | C | . | . | trans | -65.7 | 158.4 | 175.7 | 83.9 | 0 | 0 | 0 | 0 | 111.1 | K126 T127 L128 | S124-K126 VanDerWaalsContact C-N 3.25Å; S124-K126 PolarHBondContact O-N 2.84Å; S124-K126 PolarHBondContact OG-N 3.33Å; S124-T127 PolarHBondContact O-N 2.94Å; S124-T127 PolarHBondContact OG-N 2.75Å; S124-T127 VanDerWaalsContact OG-N 3.12Å; S124-T127 PolarHBondContact OG-OG1 3.13Å; S124-L128 WeakPolarHBondContact O-CG 3.3Å; S124-L128 PolarHBondContact O-N 3.07Å | ||
| 125 | R | 92.8 | Very high | 96.1 | Very high | 117 Ų | 117 | 34.8 Ų | 34.8 | 44% | 0.442 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -53.3 | -45.4 | 174 | -174.5 | -165.6 | -174.2 | 161.3 | 5 | 111.9 | L128 Q129 K165 | R125-L128 PolarHBondContact O-N 3.4Å; R125-Q129 WeakPolarHBondContact O-CG 3.4Å; R125-Q129 PolarHBondContact O-N 3.41Å; R125-K165 HydrophobicContact CB-CB 4.08Å; R125-K165 WeakPolarHBondContact CD-O 3.17Å; R125-K165 HydrophobicContact CG-CB 4.28Å; R125-K165 WeakPolarHBondContact CG-O 3.41Å; R125-K165 VanDerWaalsContact CZ-O 3.27Å; R125-K165 PolarHBondContact NE-O 3.27Å |
| 126 | K | 94.4 | Very high | 96.2 | Very high | 142 Ų | 142 | 42 Ų | 42 | 62% | 0.617 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -60.8 | -49.5 | -178.7 | -177.9 | -174.8 | 172 | -168.8 | 0 | 110.4 | S124 L128 Q129 E130 | S124-K126 VanDerWaalsContact C-N 3.25Å; S124-K126 PolarHBondContact O-N 2.84Å; S124-K126 PolarHBondContact OG-N 3.33Å; K126-L128 VanDerWaalsContact C-N 3.33Å; K126-L128 PolarHBondContact O-N 2.69Å; K126-Q129 WeakPolarHBondContact O-CB 3.47Å; K126-Q129 PolarHBondContact O-N 2.86Å; K126-E130 WeakPolarHBondContact CE-OE1 3.4Å; K126-E130 WeakPolarHBondContact O-CG 3.45Å; K126-E130 PolarHBondContact O-N 3.3Å; K126-E130 VanDerWaalsContact O-N 3.11Å |
| 127 | T | 95.6 | Very high | 96.3 | Very high | 38 Ų | 38 | 48.2 Ų | 48.2 | 23% | 0.233 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.8 | -43.6 | 177.6 | -50.1 | 0 | 0 | 0 | 0 | 111.4 | R123 S124 Q129 E130 V131 | R123-T127 HydrophobicContact CB-CG2 4.32Å; R123-T127 HydrophobicContact CG-CG2 4.5Å; S124-T127 PolarHBondContact O-N 2.94Å; S124-T127 PolarHBondContact OG-N 2.75Å; S124-T127 VanDerWaalsContact OG-N 3.12Å; S124-T127 PolarHBondContact OG-OG1 3.13Å; T127-Q129 VanDerWaalsContact C-N 3.3Å; T127-Q129 PolarHBondContact O-N 2.63Å; T127-E130 PolarHBondContact O-N 3.37Å; T127-E130 VanDerWaalsContact O-N 3.16Å; T127-V131 HydrophobicContact CG2-CG2 4.41Å; T127-V131 VanDerWaalsContact O-CG2 3.28Å; T127-V131 WeakPolarHBondContact O-CG2 3.39Å; T127-V131 PolarHBondContact O-N 3.11Å |
| 128 | L | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.4 | -32.7 | 178.4 | -72 | 175.2 | 0 | 0 | 0 | 113.2 | L120 R123 S124 R125 K126 A132 L162 L163 K165 | L120-L128 HydrophobicContact CD2-CD1 4.44Å; L120-L128 HydrophobicContact CD2-CD2 4.06Å; R123-L128 HydrophobicContact CB-CD1 4.48Å; R123-L128 HydrophobicContact CB-CD2 3.78Å; R123-L128 HydrophobicContact CB-CG 3.82Å; R123-L128 HydrophobicContact CG-CD2 4.5Å; S124-L128 WeakPolarHBondContact O-CG 3.3Å; S124-L128 PolarHBondContact O-N 3.07Å; R125-L128 PolarHBondContact O-N 3.4Å; K126-L128 VanDerWaalsContact C-N 3.33Å; K126-L128 PolarHBondContact O-N 2.69Å; L128-A132 WeakPolarHBondContact O-CB 3.23Å; L128-A132 PolarHBondContact O-N 3.28Å; L128-L162 VanDerWaalsContact CD1-O 3.28Å; L128-L162 WeakPolarHBondContact CD1-O 3.24Å; L128-L163 HydrophobicContact CB-CD1 4.38Å; L128-K165 HydrophobicContact CD1-CD 4.38Å |
| 129 | Q | 97.8 | Very high | 96.5 | Very high | 102 Ų | 102 | 54.8 Ų | 54.8 | 48% | 0.477 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 172.8 | -71.8 | 175.8 | -23.9 | 0 | 0 | 111.9 | R125 K126 T127 A132 A133 | R125-Q129 WeakPolarHBondContact O-CG 3.4Å; R125-Q129 PolarHBondContact O-N 3.41Å; K126-Q129 WeakPolarHBondContact O-CB 3.47Å; K126-Q129 PolarHBondContact O-N 2.86Å; T127-Q129 VanDerWaalsContact C-N 3.3Å; T127-Q129 PolarHBondContact O-N 2.63Å; Q129-A132 PolarHBondContact O-N 3.28Å; Q129-A133 PolarHBondContact O-N 3.17Å |
| 130 | E | 98.1 | Very high | 96.5 | Very high | 71 Ų | 71 | 62.9 Ų | 62.9 | 33% | 0.332 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.4 | -44.7 | 175.1 | -66 | 163.1 | 170.1 | 0 | 0 | 110.6 | E95 K126 T127 A132 A133 V134 | E95-E130 HydrophobicContact CG-CB 3.89Å; K126-E130 WeakPolarHBondContact CE-OE1 3.4Å; K126-E130 WeakPolarHBondContact O-CG 3.45Å; K126-E130 PolarHBondContact O-N 3.3Å; K126-E130 VanDerWaalsContact O-N 3.11Å; T127-E130 PolarHBondContact O-N 3.37Å; T127-E130 VanDerWaalsContact O-N 3.16Å; E130-A132 PolarHBondContact O-N 2.9Å; E130-A133 WeakPolarHBondContact O-CB 3.29Å; E130-A133 PolarHBondContact O-N 3.32Å; E130-V134 WeakPolarHBondContact O-CB 3.35Å; E130-V134 WeakPolarHBondContact O-CG2 3.26Å; E130-V134 PolarHBondContact O-N 3.32Å |
| 131 | V | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.8 | -45 | 173.1 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | E95 E98 A99 L102 T127 A133 V134 Y135 L143 | E95-V131 HydrophobicContact CB-CG2 4.01Å; E95-V131 HydrophobicContact CG-CG2 4.37Å; E98-V131 HydrophobicContact CB-CG1 4.11Å; E98-V131 HydrophobicContact CB-CG2 3.8Å; E98-V131 HydrophobicContact CG-CG2 4.39Å; A99-V131 HydrophobicContact CB-CG1 4.29Å; L102-V131 HydrophobicContact CD1-CG1 3.69Å; T127-V131 HydrophobicContact CG2-CG2 4.41Å; T127-V131 VanDerWaalsContact O-CG2 3.28Å; T127-V131 WeakPolarHBondContact O-CG2 3.39Å; T127-V131 PolarHBondContact O-N 3.11Å; V131-A133 VanDerWaalsContact C-N 3.34Å; V131-A133 PolarHBondContact O-N 2.92Å; V131-V134 PolarHBondContact O-N 2.92Å; V131-Y135 VanDerWaalsContact O-CB 3.22Å; V131-Y135 WeakPolarHBondContact O-CB 3.43Å; V131-Y135 PolarHBondContact O-N 2.85Å; V131-L143 HydrophobicContact CG1-CD2 4.43Å |
| 132 | A | 98.6 | Very high | 96.8 | Very high | 27 Ų | 27 | 69.4 Ų | 69.4 | 22% | 0.223 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L128 Q129 E130 R136 L143 | L128-A132 WeakPolarHBondContact O-CB 3.23Å; L128-A132 PolarHBondContact O-N 3.28Å; Q129-A132 PolarHBondContact O-N 3.28Å; E130-A132 PolarHBondContact O-N 2.9Å; A132-R136 PolarHBondContact O-N 3.31Å; A132-R136 VanDerWaalsContact O-N 3.1Å; A132-L143 HydrophobicContact CB-CB 4.35Å; A132-L143 HydrophobicContact CB-CD2 4.02Å |
| 133 | A | 98.5 | Very high | 97.1 | Very high | 49 Ų | 49 | 67.3 Ų | 67.3 | 41% | 0.405 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q129 E130 V131 R136 Q137 | Q129-A133 PolarHBondContact O-N 3.17Å; E130-A133 WeakPolarHBondContact O-CB 3.29Å; E130-A133 PolarHBondContact O-N 3.32Å; V131-A133 VanDerWaalsContact C-N 3.34Å; V131-A133 PolarHBondContact O-N 2.92Å; A133-R136 PolarHBondContact O-N 3.41Å; A133-Q137 WeakPolarHBondContact O-CG 3.5Å; A133-Q137 PolarHBondContact O-N 2.98Å |
| 134 | V | 98.6 | Very high | 97.4 | Very high | 24 Ų | 24 | 68.7 Ų | 68.7 | 15% | 0.145 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64 | -43.3 | 177.1 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | E95 Q96 A99 E130 V131 R136 Q137 M138 | E95-V134 HydrophobicContact CB-CB 4.4Å; E95-V134 HydrophobicContact CB-CG2 4.02Å; Q96-V134 HydrophobicContact CB-CG1 4.24Å; Q96-V134 HydrophobicContact CG-CG1 3.62Å; A99-V134 HydrophobicContact CB-CG1 4.18Å; E130-V134 WeakPolarHBondContact O-CB 3.35Å; E130-V134 WeakPolarHBondContact O-CG2 3.26Å; E130-V134 PolarHBondContact O-N 3.32Å; V131-V134 PolarHBondContact O-N 2.92Å; V134-R136 VanDerWaalsContact C-N 3.29Å; V134-R136 PolarHBondContact O-N 3.46Å; V134-Q137 WeakPolarHBondContact O-CA 3.18Å; V134-Q137 WeakPolarHBondContact O-CB 3.22Å; V134-Q137 PolarHBondContact O-N 3.09Å; V134-M138 HydrophobicContact CG1-CG 4.1Å; V134-M138 HydrophobicContact CG1-SD 3.5Å; V134-M138 WeakPolarHBondContact CG1-SD 3.35Å; V134-M138 WeakPolarHBondContact O-CB 3.28Å; V134-M138 WeakPolarHBondContact O-CG 3.15Å; V134-M138 PolarHBondContact O-N 3.27Å |
| 135 | Y | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.8 | -44.5 | 174.9 | -170.7 | -81.9 | 0 | 0 | 0 | 111.3 | A99 L102 K103 M106 V131 Q137 M138 Y139 K141 L143 E146 | A99-Y135 HydrophobicContact CB-CD2 4.01Å; A99-Y135 HydrophobicContact CB-CG 4.5Å; A99-Y135 WeakPolarHBondContact O-CD2 3.31Å; L102-Y135 HydrophobicContact CB-CE2 4.44Å; K103-Y135 HydrophobicContact CB-CE2 3.8Å; K103-Y135 HydrophobicContact CD-CE2 4.19Å; K103-Y135 WeakPolarHBondContact CD-OH 3.34Å; M106-Y135 HydrophobicContact CE-CE2 4.03Å; M106-Y135 WeakPolarHBondContact CE-OH 3.35Å; V131-Y135 VanDerWaalsContact O-CB 3.22Å; V131-Y135 WeakPolarHBondContact O-CB 3.43Å; V131-Y135 PolarHBondContact O-N 2.85Å; Y135-Q137 VanDerWaalsContact C-N 3.34Å; Y135-Q137 PolarHBondContact O-N 2.97Å; Y135-M138 PolarHBondContact O-N 3.37Å; Y135-Y139 HydrophobicContact CD1-CD2 4.06Å; Y135-Y139 AromaticContact CD2-CD2 3.63Å; Y135-Y139 HydrophobicContact CD2-CD2 3.63Å; Y135-Y139 AromaticContact CD2-CE2 3.83Å; Y135-Y139 HydrophobicContact CD2-CE2 3.83Å; Y135-Y139 HydrophobicContact CE1-CD2 4.1Å; Y135-Y139 AromaticContact CE2-CD2 3.67Å; Y135-Y139 HydrophobicContact CE2-CD2 3.67Å; Y135-Y139 AromaticContact CE2-CE2 3.92Å; Y135-Y139 HydrophobicContact CE2-CE2 3.92Å; Y135-Y139 AromaticContact CG-CD2 3.83Å; Y135-Y139 HydrophobicContact CG-CD2 3.83Å; Y135-Y139 HydrophobicContact CG-CE2 4.4Å; Y135-Y139 AromaticContact CZ-CD2 3.91Å; Y135-Y139 WeakPolarHBondContact O-CD2 3.35Å; Y135-Y139 PolarHBondContact O-N 3.4Å; Y135-K141 HydrophobicContact CE1-CB 4.11Å; Y135-L143 HydrophobicContact CD1-CB 3.88Å; Y135-L143 HydrophobicContact CD1-CD1 4.28Å; Y135-L143 HydrophobicContact CD2-CD1 3.96Å; Y135-L143 HydrophobicContact CE1-CB 4.38Å; Y135-L143 HydrophobicContact CE1-CD1 4.27Å; Y135-L143 HydrophobicContact CE2-CD1 3.95Å; Y135-L143 HydrophobicContact CG-CB 4.09Å; Y135-L143 HydrophobicContact CG-CD1 4.13Å; Y135-E146 HydrophobicContact CE1-CG 4.2Å |
| 136 | R | 98.5 | Very high | 97.9 | Very high | 165 Ų | 165 | 68.8 Ų | 68.8 | 62% | 0.623 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64 | -37.9 | 175 | -175.3 | 177 | 177 | 179 | -1.3 | 112.7 | A132 A133 V134 K140 K141 | A132-R136 PolarHBondContact O-N 3.31Å; A132-R136 VanDerWaalsContact O-N 3.1Å; A133-R136 PolarHBondContact O-N 3.41Å; V134-R136 VanDerWaalsContact C-N 3.29Å; V134-R136 PolarHBondContact O-N 3.46Å; R136-K140 WeakPolarHBondContact O-CA 3.32Å; R136-K140 PolarHBondContact O-N 2.87Å; R136-K141 WeakPolarHBondContact CA-O 3.15Å |
| 137 | Q | 98.3 | Very high | 98.1 | Very high | 131 Ų | 131 | 62 Ų | 62 | 61% | 0.612 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -67.4 | -45.8 | 176.6 | -70.3 | 176.8 | 4.5 | 0 | 0 | 112 | A133 V134 Y135 K140 | A133-Q137 WeakPolarHBondContact O-CG 3.5Å; A133-Q137 PolarHBondContact O-N 2.98Å; V134-Q137 WeakPolarHBondContact O-CA 3.18Å; V134-Q137 WeakPolarHBondContact O-CB 3.22Å; V134-Q137 PolarHBondContact O-N 3.09Å; Y135-Q137 VanDerWaalsContact C-N 3.34Å; Y135-Q137 PolarHBondContact O-N 2.97Å; Q137-K140 WeakPolarHBondContact O-CE 3.34Å; Q137-K140 PolarHBondContact O-NZ 2.98Å |
| 138 | M | 97.7 | Very high | 98.1 | Very high | 71 Ų | 71 | 65.3 Ų | 65.3 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.3 | -46.6 | -176.7 | -70.2 | 174.8 | 70.7 | 0 | 0 | 112.4 | Q96 A99 V134 Y135 | Q96-M138 HydrophobicContact CB-CE 4.44Å; Q96-M138 HydrophobicContact CB-SD 3.99Å; Q96-M138 HydrophobicContact CG-SD 3.98Å; A99-M138 HydrophobicContact CB-SD 4.09Å; V134-M138 HydrophobicContact CG1-CG 4.1Å; V134-M138 HydrophobicContact CG1-SD 3.5Å; V134-M138 WeakPolarHBondContact CG1-SD 3.35Å; V134-M138 WeakPolarHBondContact O-CB 3.28Å; V134-M138 WeakPolarHBondContact O-CG 3.15Å; V134-M138 PolarHBondContact O-N 3.27Å; Y135-M138 PolarHBondContact O-N 3.37Å |
| 139 | Y | 98.1 | Very high | 98.1 | Very high | 68 Ų | 68 | 68.8 Ų | 68.8 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -108.8 | -4.7 | -169.4 | -55.7 | -60.3 | 0 | 0 | 0 | 114.2 | A99 Q100 K103 Y135 K141 | A99-Y139 HydrophobicContact CB-CE2 4.45Å; Q100-Y139 VanDerWaalsContact CA-OH 3.29Å; Q100-Y139 WeakPolarHBondContact CA-OH 3.41Å; K103-Y139 HydrophobicContact CB-CD2 4.3Å; K103-Y139 HydrophobicContact CB-CE1 4.42Å; K103-Y139 HydrophobicContact CB-CE2 3.73Å; K103-Y139 HydrophobicContact CD-CD1 4.5Å; K103-Y139 HydrophobicContact CD-CD2 4.41Å; K103-Y139 HydrophobicContact CD-CG 4.36Å; K103-Y139 HydrophobicContact CG-CD1 4.3Å; K103-Y139 HydrophobicContact CG-CD2 4.38Å; K103-Y139 HydrophobicContact CG-CE1 4.02Å; K103-Y139 HydrophobicContact CG-CE2 4.1Å; K103-Y139 HydrophobicContact CG-CG 4.48Å; Y135-Y139 HydrophobicContact CD1-CD2 4.06Å; Y135-Y139 AromaticContact CD2-CD2 3.63Å; Y135-Y139 HydrophobicContact CD2-CD2 3.63Å; Y135-Y139 AromaticContact CD2-CE2 3.83Å; Y135-Y139 HydrophobicContact CD2-CE2 3.83Å; Y135-Y139 HydrophobicContact CE1-CD2 4.1Å; Y135-Y139 AromaticContact CE2-CD2 3.67Å; Y135-Y139 HydrophobicContact CE2-CD2 3.67Å; Y135-Y139 AromaticContact CE2-CE2 3.92Å; Y135-Y139 HydrophobicContact CE2-CE2 3.92Å; Y135-Y139 AromaticContact CG-CD2 3.83Å; Y135-Y139 HydrophobicContact CG-CD2 3.83Å; Y135-Y139 HydrophobicContact CG-CE2 4.4Å; Y135-Y139 AromaticContact CZ-CD2 3.91Å; Y135-Y139 WeakPolarHBondContact O-CD2 3.35Å; Y135-Y139 PolarHBondContact O-N 3.4Å; Y139-K141 WeakPolarHBondContact O-CG 3.49Å; Y139-K141 PolarHBondContact O-N 3.32Å |
| 140 | K | 98.2 | Very high | 98 | Very high | 171 Ų | 171 | 67.2 Ų | 67.2 | 74% | 0.743 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 56 | 28.4 | -175.2 | -50.7 | -52.3 | -176 | -158.2 | 0 | 113.2 | R136 Q137 | R136-K140 WeakPolarHBondContact O-CA 3.32Å; R136-K140 PolarHBondContact O-N 2.87Å; Q137-K140 WeakPolarHBondContact O-CE 3.34Å; Q137-K140 PolarHBondContact O-NZ 2.98Å |
| 141 | K | 97.9 | Very high | 97.9 | Very high | 87 Ų | 87 | 64.6 Ų | 64.6 | 38% | 0.378 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -126.8 | 152 | -178.9 | -70 | -170.2 | 171 | -153.3 | 0 | 110.8 | Y135 R136 Y139 E146 | Y135-K141 HydrophobicContact CE1-CB 4.11Å; R136-K141 WeakPolarHBondContact CA-O 3.15Å; Y139-K141 WeakPolarHBondContact O-CG 3.49Å; Y139-K141 PolarHBondContact O-N 3.32Å; K141-E146 HydrophobicContact CB-CG 4.17Å; K141-E146 HydrophobicContact CD-CG 4.04Å; K141-E146 WeakPolarHBondContact CD-OE1 3.18Å; K141-E146 WeakPolarHBondContact CD-OE2 3.32Å; K141-E146 IonicContact NZ-OE1 3.89Å; K141-E146 PolarHBondContact NZ-OE1 2.94Å; K141-E146 IonicContact NZ-OE2 2.67Å; K141-E146 PolarHBondContact NZ-OE2 3.47Å |
| 142 | D | 98.3 | Very high | 97.8 | Very high | 65 Ų | 65 | 68.9 Ų | 68.9 | 35% | 0.348 | 35% | 0.345 | S | S | . | . | trans | -86.8 | 123.9 | 175.9 | -178.2 | -91.2 | 0 | 0 | 0 | 109.8 | E144 K145 E146 | D142-E144 PolarHBondContact O-N 3.21Å; D142-E144 PolarHBondContact OD1-N 3.04Å; D142-K145 HydrophobicContact CB-CB 4.06Å; D142-K145 HydrophobicContact CB-CD 3.98Å; D142-K145 HydrophobicContact CB-CG 4.07Å; D142-K145 PolarHBondContact O-N 2.93Å; D142-K145 WeakPolarHBondContact OD1-CG 3.32Å; D142-K145 PolarHBondContact OD1-N 3.44Å; D142-E146 WeakPolarHBondContact O-CG 3.19Å; D142-E146 PolarHBondContact O-N 3.36Å | ||
| 143 | L | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.2 | -42.5 | -174.6 | 176.8 | 58.4 | 0 | 0 | 0 | 112 | L102 M106 V131 A132 Y135 K145 E146 L147 L163 | L102-L143 HydrophobicContact CB-CD1 4.46Å; L102-L143 HydrophobicContact CD1-CD1 4.16Å; L102-L143 HydrophobicContact CD1-CD2 3.85Å; M106-L143 HydrophobicContact CE-CD1 3.78Å; V131-L143 HydrophobicContact CG1-CD2 4.43Å; A132-L143 HydrophobicContact CB-CB 4.35Å; A132-L143 HydrophobicContact CB-CD2 4.02Å; Y135-L143 HydrophobicContact CD1-CB 3.88Å; Y135-L143 HydrophobicContact CD1-CD1 4.28Å; Y135-L143 HydrophobicContact CD2-CD1 3.96Å; Y135-L143 HydrophobicContact CE1-CB 4.38Å; Y135-L143 HydrophobicContact CE1-CD1 4.27Å; Y135-L143 HydrophobicContact CE2-CD1 3.95Å; Y135-L143 HydrophobicContact CG-CB 4.09Å; Y135-L143 HydrophobicContact CG-CD1 4.13Å; L143-K145 VanDerWaalsContact C-N 3.33Å; L143-K145 PolarHBondContact O-N 3.21Å; L143-E146 PolarHBondContact O-N 3.14Å; L143-L147 HydrophobicContact CD1-CD1 4.19Å; L143-L147 HydrophobicContact CD1-CG 4.17Å; L143-L147 HydrophobicContact CG-CD1 4.07Å; L143-L147 WeakPolarHBondContact O-CG 3.37Å; L143-L147 PolarHBondContact O-N 3.33Å; L143-L163 HydrophobicContact CD2-CD1 3.83Å; L143-L163 HydrophobicContact CG-CD1 4.47Å; L143-L163 HydrophobicContact CG-CD2 4.37Å |
| 144 | E | 98.4 | Very high | 97.7 | Very high | 52 Ų | 52 | 70.9 Ų | 70.9 | 24% | 0.243 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 179.5 | -169.4 | -177.1 | 127.2 | 0 | 0 | 111.5 | D142 L147 K148 V160 L163 N164 | D142-E144 PolarHBondContact O-N 3.21Å; D142-E144 PolarHBondContact OD1-N 3.04Å; E144-L147 PolarHBondContact O-N 2.97Å; E144-K148 HydrophobicContact CG-CD 4.34Å; E144-K148 WeakPolarHBondContact O-CB 3.43Å; E144-K148 WeakPolarHBondContact O-CG 3.48Å; E144-K148 PolarHBondContact O-N 2.64Å; E144-K148 WeakPolarHBondContact OE1-CE 3.21Å; E144-K148 IonicContact OE1-NZ 2.99Å; E144-K148 PolarHBondContact OE1-NZ 2.53Å; E144-V160 HydrophobicContact CG-CG1 4.08Å; E144-V160 HydrophobicContact CG-CG2 4.19Å; E144-L163 HydrophobicContact CB-CD2 3.75Å; E144-L163 HydrophobicContact CG-CD2 4.15Å; E144-N164 PolarHBondContact OE2-ND2 3.14Å |
| 145 | K | 98.1 | Very high | 97.7 | Very high | 152 Ų | 152 | 70 Ų | 70 | 66% | 0.661 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65 | -41.1 | 175.2 | -71 | -178.3 | -172.5 | 179.3 | 0 | 112.7 | D142 L143 K148 A149 | D142-K145 HydrophobicContact CB-CB 4.06Å; D142-K145 HydrophobicContact CB-CD 3.98Å; D142-K145 HydrophobicContact CB-CG 4.07Å; D142-K145 PolarHBondContact O-N 2.93Å; D142-K145 WeakPolarHBondContact OD1-CG 3.32Å; D142-K145 PolarHBondContact OD1-N 3.44Å; L143-K145 VanDerWaalsContact C-N 3.33Å; L143-K145 PolarHBondContact O-N 3.21Å; K145-K148 PolarHBondContact O-N 3.43Å; K145-A149 WeakPolarHBondContact O-CB 3.36Å; K145-A149 PolarHBondContact O-N 3.11Å |
| 146 | E | 97.9 | Very high | 97.7 | Very high | 27 Ų | 27 | 70.7 Ų | 70.7 | 13% | 0.126 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63 | -47.3 | 174.8 | -69 | -85.6 | 108 | 0 | 0 | 110.1 | K103 M106 Y135 K141 D142 L143 K148 A149 E150 | K103-E146 IonicContact NZ-OE2 2.75Å; K103-E146 PolarHBondContact NZ-OE2 2.93Å; M106-E146 HydrophobicContact CE-CB 4.16Å; M106-E146 HydrophobicContact SD-CB 3.91Å; Y135-E146 HydrophobicContact CE1-CG 4.2Å; K141-E146 HydrophobicContact CB-CG 4.17Å; K141-E146 HydrophobicContact CD-CG 4.04Å; K141-E146 WeakPolarHBondContact CD-OE1 3.18Å; K141-E146 WeakPolarHBondContact CD-OE2 3.32Å; K141-E146 IonicContact NZ-OE1 3.89Å; K141-E146 PolarHBondContact NZ-OE1 2.94Å; K141-E146 IonicContact NZ-OE2 2.67Å; K141-E146 PolarHBondContact NZ-OE2 3.47Å; D142-E146 WeakPolarHBondContact O-CG 3.19Å; D142-E146 PolarHBondContact O-N 3.36Å; L143-E146 PolarHBondContact O-N 3.14Å; E146-K148 VanDerWaalsContact C-N 3.29Å; E146-K148 PolarHBondContact O-N 3.25Å; E146-A149 WeakPolarHBondContact O-CB 3.43Å; E146-A149 PolarHBondContact O-N 3.24Å; E146-E150 WeakPolarHBondContact O-CG 3.27Å; E146-E150 PolarHBondContact O-N 3.29Å |
| 147 | L | 97.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.9 | -42.1 | 177.3 | -69.9 | 167.9 | 0 | 0 | 0 | 112 | M106 L116 L143 E144 A149 E150 T151 V159 L163 | M106-L147 HydrophobicContact CE-CD2 4.4Å; M106-L147 HydrophobicContact SD-CD2 3.68Å; M106-L147 HydrophobicContact SD-CG 4.12Å; L116-L147 HydrophobicContact CD1-CD2 4.11Å; L116-L147 HydrophobicContact CD2-CD2 3.86Å; L143-L147 HydrophobicContact CD1-CD1 4.19Å; L143-L147 HydrophobicContact CD1-CG 4.17Å; L143-L147 HydrophobicContact CG-CD1 4.07Å; L143-L147 WeakPolarHBondContact O-CG 3.37Å; L143-L147 PolarHBondContact O-N 3.33Å; E144-L147 PolarHBondContact O-N 2.97Å; L147-A149 VanDerWaalsContact C-N 3.27Å; L147-A149 PolarHBondContact O-N 2.92Å; L147-E150 PolarHBondContact O-N 3.26Å; L147-T151 WeakPolarHBondContact O-CB 3.45Å; L147-T151 PolarHBondContact O-N 3.06Å; L147-T151 VanDerWaalsContact O-N 3.13Å; L147-T151 PolarHBondContact O-OG1 3.5Å; L147-V159 HydrophobicContact CB-CG1 3.84Å; L147-V159 HydrophobicContact CD1-CG1 3.89Å; L147-V159 HydrophobicContact CD2-CG1 3.7Å; L147-V159 HydrophobicContact CG-CG1 4.01Å; L147-L163 HydrophobicContact CD1-CB 4.42Å; L147-L163 HydrophobicContact CD1-CD2 3.96Å |
| 148 | K | 97 | Very high | 97.7 | Very high | 107 Ų | 107 | 62.8 Ų | 62.8 | 47% | 0.465 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.5 | -26.2 | 175.6 | -76.7 | 172.9 | 172.8 | 170.6 | 0 | 113.8 | E144 K145 E146 T151 V160 | E144-K148 HydrophobicContact CG-CD 4.34Å; E144-K148 WeakPolarHBondContact O-CB 3.43Å; E144-K148 WeakPolarHBondContact O-CG 3.48Å; E144-K148 PolarHBondContact O-N 2.64Å; E144-K148 WeakPolarHBondContact OE1-CE 3.21Å; E144-K148 IonicContact OE1-NZ 2.99Å; E144-K148 PolarHBondContact OE1-NZ 2.53Å; K145-K148 PolarHBondContact O-N 3.43Å; E146-K148 VanDerWaalsContact C-N 3.29Å; E146-K148 PolarHBondContact O-N 3.25Å; K148-T151 VanDerWaalsContact O-O 3.13Å; K148-V160 HydrophobicContact CD-CG2 4.22Å; K148-V160 HydrophobicContact CG-CG2 3.61Å |
| 149 | A | 96.3 | Very high | 97.7 | Very high | 72 Ų | 72 | 59.4 Ų | 59.4 | 60% | 0.595 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -82.3 | -35.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K145 E146 L147 | K145-A149 WeakPolarHBondContact O-CB 3.36Å; K145-A149 PolarHBondContact O-N 3.11Å; E146-A149 WeakPolarHBondContact O-CB 3.43Å; E146-A149 PolarHBondContact O-N 3.24Å; L147-A149 VanDerWaalsContact C-N 3.27Å; L147-A149 PolarHBondContact O-N 2.92Å |
| 150 | E | 96.3 | Very high | 97.7 | Very high | 70 Ų | 70 | 57.2 Ų | 57.2 | 33% | 0.327 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -90.2 | -3.5 | -177 | -59.8 | -56.2 | 143.7 | 0 | 0 | 113.8 | M106 T111 E146 L147 | M106-E150 HydrophobicContact CB-CG 3.95Å; M106-E150 HydrophobicContact CG-CB 4.18Å; M106-E150 HydrophobicContact CG-CG 3.97Å; M106-E150 HydrophobicContact SD-CB 4.45Å; M106-E150 HydrophobicContact SD-CG 4.14Å; T111-E150 PolarHBondContact OG1-O 3.43Å; T111-E150 VanDerWaalsContact OG1-O 3.04Å; E146-E150 WeakPolarHBondContact O-CG 3.27Å; E146-E150 PolarHBondContact O-N 3.29Å; L147-E150 PolarHBondContact O-N 3.26Å |
| 151 | T | 96.4 | Very high | 97.7 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 10% | 0.098 | 27% | 0.273 | C | S | . | . | trans | -134.5 | 162.8 | 179.7 | 66.9 | 0 | 0 | 0 | 0 | 111 | L116 L147 K148 F155 A156 | L116-T151 HydrophobicContact CD1-CG2 4.49Å; L147-T151 WeakPolarHBondContact O-CB 3.45Å; L147-T151 PolarHBondContact O-N 3.06Å; L147-T151 VanDerWaalsContact O-N 3.13Å; L147-T151 PolarHBondContact O-OG1 3.5Å; K148-T151 VanDerWaalsContact O-O 3.13Å; T151-F155 HydrophobicContact CG2-CD1 3.82Å; T151-F155 HydrophobicContact CG2-CE1 3.56Å; T151-A156 WeakPolarHBondContact OG1-CA 3.34Å; T151-A156 WeakPolarHBondContact OG1-CB 3.41Å | ||
| 152 | S | 96.2 | Very high | 97.6 | Very high | 89 Ų | 89 | 46 Ų | 46 | 62% | 0.622 | 26% | 0.255 | S | S | * | . | trans | -141.2 | 167.5 | -178.9 | 71.4 | 0 | 0 | 0 | 0 | 113.8 | F155 A156 | S152-F155 PolarHBondContact O-N 3.49Å; S152-A156 PolarHBondContact O-N 2.81Å | ||
| 153 | G | 97.3 | Very high | 97.6 | Very high | 56 Ų | 56 | 43.2 Ų | 43.2 | 58% | 0.577 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | 57.7 | -143.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F155 A156 R157 | G153-F155 PolarHBondContact O-N 2.82Å; G153-A156 PolarHBondContact O-N 3.42Å; G153-R157 PolarHBondContact O-N 3.4Å |
| 154 | D | 98.2 | Very high | 97.4 | Very high | 62 Ų | 62 | 46.6 Ų | 46.6 | 33% | 0.332 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.9 | -23.9 | 179 | -69.6 | -41 | 0 | 0 | 0 | 112.9 | R157 L158 A190 F232 | D154-R157 PolarHBondContact O-N 2.85Å; D154-R157 IonicContact OD1-CZ 3.96Å; D154-R157 IonicContact OD1-NE 3.09Å; D154-R157 IonicContact OD1-NH1 3.69Å; D154-R157 PolarHBondContact OD1-NH1 3.41Å; D154-L158 WeakPolarHBondContact O-CB 3.26Å; D154-L158 PolarHBondContact O-N 3.12Å; D154-A190 HydrophobicContact CB-CB 3.77Å; D154-A190 WeakPolarHBondContact OD2-CB 3.03Å; D154-F232 HydrophobicContact CB-CB 4.26Å; D154-F232 HydrophobicContact CB-CD1 4.07Å; D154-F232 HydrophobicContact CB-CD2 3.69Å; D154-F232 HydrophobicContact CB-CE1 4.37Å; D154-F232 HydrophobicContact CB-CE2 4.04Å; D154-F232 HydrophobicContact CB-CG 3.72Å; D154-F232 HydrophobicContact CB-CZ 4.37Å; D154-F232 WeakPolarHBondContact O-CD2 3.41Å |
| 155 | F | 98.1 | Very high | 97.1 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.3 | -45.8 | 173.3 | -176.6 | -119.7 | 0 | 0 | 0 | 111.7 | E113 L117 T151 S152 G153 R157 L158 V159 D231 F232 | E113-F155 HydrophobicContact CB-CE1 4.17Å; E113-F155 HydrophobicContact CB-CZ 3.78Å; E113-F155 HydrophobicContact CG-CE1 3.63Å; E113-F155 HydrophobicContact CG-CZ 3.79Å; L117-F155 HydrophobicContact CD1-CE2 3.96Å; L117-F155 HydrophobicContact CD1-CZ 4.29Å; L117-F155 HydrophobicContact CD2-CE2 4Å; L117-F155 HydrophobicContact CG-CE2 4.11Å; L117-F155 HydrophobicContact CG-CZ 4.3Å; T151-F155 HydrophobicContact CG2-CD1 3.82Å; T151-F155 HydrophobicContact CG2-CE1 3.56Å; S152-F155 PolarHBondContact O-N 3.49Å; G153-F155 PolarHBondContact O-N 2.82Å; F155-R157 VanDerWaalsContact C-N 3.27Å; F155-R157 PolarHBondContact O-N 3Å; F155-L158 WeakPolarHBondContact O-CB 3.47Å; F155-L158 PolarHBondContact O-N 3.07Å; F155-L158 VanDerWaalsContact O-N 3.14Å; F155-V159 HydrophobicContact CD1-CG2 4.43Å; F155-V159 HydrophobicContact CD2-CG2 4.24Å; F155-V159 HydrophobicContact CE1-CG2 4.03Å; F155-V159 HydrophobicContact CE2-CG2 3.82Å; F155-V159 HydrophobicContact CZ-CG2 3.69Å; F155-V159 WeakPolarHBondContact O-CG2 3.41Å; F155-V159 PolarHBondContact O-N 3.32Å; F155-D231 HydrophobicContact CB-CB 3.98Å; F155-D231 HydrophobicContact CD1-CB 3.67Å; F155-D231 HydrophobicContact CD2-CB 3.91Å; F155-D231 WeakPolarHBondContact CD2-O 3.38Å; F155-D231 HydrophobicContact CE1-CB 4.11Å; F155-D231 HydrophobicContact CE2-CB 4.32Å; F155-D231 HydrophobicContact CG-CB 3.57Å; F155-D231 HydrophobicContact CZ-CB 4.43Å; F155-F232 HydrophobicContact CB-CB 4.37Å |
| 156 | A | 97.9 | Very high | 96.5 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 11% | 0.107 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.8 | -40.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T151 S152 G153 V159 V160 | T151-A156 WeakPolarHBondContact OG1-CA 3.34Å; T151-A156 WeakPolarHBondContact OG1-CB 3.41Å; S152-A156 PolarHBondContact O-N 2.81Å; G153-A156 PolarHBondContact O-N 3.42Å; A156-V159 PolarHBondContact O-N 2.65Å; A156-V160 WeakPolarHBondContact O-CB 3.03Å; A156-V160 WeakPolarHBondContact O-CG2 3.49Å; A156-V160 PolarHBondContact O-N 3.33Å |
| 157 | R | 98.3 | Very high | 95.9 | Very high | 130 Ų | 130 | 43.8 Ų | 43.8 | 49% | 0.491 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 176.2 | -67 | 173.1 | 60.7 | -160.2 | 3.4 | 111.6 | G153 D154 F155 A161 I194 | G153-R157 PolarHBondContact O-N 3.4Å; D154-R157 PolarHBondContact O-N 2.85Å; D154-R157 IonicContact OD1-CZ 3.96Å; D154-R157 IonicContact OD1-NE 3.09Å; D154-R157 IonicContact OD1-NH1 3.69Å; D154-R157 PolarHBondContact OD1-NH1 3.41Å; F155-R157 VanDerWaalsContact C-N 3.27Å; F155-R157 PolarHBondContact O-N 3Å; R157-A161 VanDerWaalsContact O-CB 3.31Å; R157-A161 WeakPolarHBondContact O-CB 3.2Å; R157-A161 PolarHBondContact O-N 3.1Å; R157-I194 HydrophobicContact CB-CD1 3.79Å |
| 158 | L | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -50.1 | 176.6 | 178.4 | 62.5 | 0 | 0 | 0 | 111.8 | D154 F155 V160 A161 L162 I194 T198 F232 L239 | D154-L158 WeakPolarHBondContact O-CB 3.26Å; D154-L158 PolarHBondContact O-N 3.12Å; F155-L158 WeakPolarHBondContact O-CB 3.47Å; F155-L158 PolarHBondContact O-N 3.07Å; F155-L158 VanDerWaalsContact O-N 3.14Å; L158-V160 VanDerWaalsContact C-N 3.34Å; L158-V160 PolarHBondContact O-N 2.9Å; L158-A161 WeakPolarHBondContact O-CB 3.21Å; L158-A161 PolarHBondContact O-N 2.96Å; L158-A161 VanDerWaalsContact O-N 3.12Å; L158-L162 HydrophobicContact CD1-CD1 4.3Å; L158-L162 HydrophobicContact CD1-CG 4.34Å; L158-L162 HydrophobicContact CG-CD1 4.1Å; L158-L162 WeakPolarHBondContact O-CG 3.4Å; L158-L162 PolarHBondContact O-N 2.95Å; L158-I194 HydrophobicContact CB-CD1 4.49Å; L158-I194 HydrophobicContact CB-CG1 4.2Å; L158-I194 HydrophobicContact CD1-CG1 4.21Å; L158-T198 HydrophobicContact CD1-CG2 3.82Å; L158-F232 HydrophobicContact CB-CD2 4.25Å; L158-F232 HydrophobicContact CB-CE2 4.07Å; L158-F232 HydrophobicContact CD2-CD2 4.2Å; L158-F232 HydrophobicContact CD2-CE2 4.15Å; L158-L239 HydrophobicContact CD1-CD2 4.08Å |
| 159 | V | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.1 | -44.2 | -179.5 | 164.8 | 0 | 0 | 0 | 0 | 111.5 | L120 L147 F155 A156 A161 L162 L163 | L120-V159 HydrophobicContact CD1-CB 4.4Å; L120-V159 HydrophobicContact CD1-CG1 3.7Å; L120-V159 HydrophobicContact CD1-CG2 4.49Å; L147-V159 HydrophobicContact CB-CG1 3.84Å; L147-V159 HydrophobicContact CD1-CG1 3.89Å; L147-V159 HydrophobicContact CD2-CG1 3.7Å; L147-V159 HydrophobicContact CG-CG1 4.01Å; F155-V159 HydrophobicContact CD1-CG2 4.43Å; F155-V159 HydrophobicContact CD2-CG2 4.24Å; F155-V159 HydrophobicContact CE1-CG2 4.03Å; F155-V159 HydrophobicContact CE2-CG2 3.82Å; F155-V159 HydrophobicContact CZ-CG2 3.69Å; F155-V159 WeakPolarHBondContact O-CG2 3.41Å; F155-V159 PolarHBondContact O-N 3.32Å; A156-V159 PolarHBondContact O-N 2.65Å; V159-A161 VanDerWaalsContact C-N 3.34Å; V159-A161 PolarHBondContact O-N 3.2Å; V159-L162 PolarHBondContact O-N 2.88Å; V159-L163 PolarHBondContact O-N 2.91Å |
| 160 | V | 98 | Very high | 94.9 | Very high | 23 Ų | 23 | 44.6 Ų | 44.6 | 14% | 0.139 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.6 | -36.8 | 176.4 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | E144 K148 A156 L158 L163 N164 | E144-V160 HydrophobicContact CG-CG1 4.08Å; E144-V160 HydrophobicContact CG-CG2 4.19Å; K148-V160 HydrophobicContact CD-CG2 4.22Å; K148-V160 HydrophobicContact CG-CG2 3.61Å; A156-V160 WeakPolarHBondContact O-CB 3.03Å; A156-V160 WeakPolarHBondContact O-CG2 3.49Å; A156-V160 PolarHBondContact O-N 3.33Å; L158-V160 VanDerWaalsContact C-N 3.34Å; L158-V160 PolarHBondContact O-N 2.9Å; V160-L163 PolarHBondContact O-N 3.49Å; V160-N164 WeakPolarHBondContact O-CB 3.45Å; V160-N164 PolarHBondContact O-N 3.05Å; V160-N164 PolarHBondContact O-ND2 3.37Å; V160-N164 VanDerWaalsContact O-ND2 3.07Å |
| 161 | A | 97.8 | Very high | 94.9 | Very high | 21 Ų | 21 | 43.5 Ų | 43.5 | 17% | 0.174 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.5 | -36.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R157 L158 V159 N164 K165 I194 T198 | R157-A161 VanDerWaalsContact O-CB 3.31Å; R157-A161 WeakPolarHBondContact O-CB 3.2Å; R157-A161 PolarHBondContact O-N 3.1Å; L158-A161 WeakPolarHBondContact O-CB 3.21Å; L158-A161 PolarHBondContact O-N 2.96Å; L158-A161 VanDerWaalsContact O-N 3.12Å; V159-A161 VanDerWaalsContact C-N 3.34Å; V159-A161 PolarHBondContact O-N 3.2Å; A161-N164 CarbonylContact O-C 3.59Å; A161-N164 VanDerWaalsContact O-C 3.26Å; A161-N164 PolarHBondContact O-N 3.45Å; A161-K165 PolarHBondContact O-N 3.33Å; A161-K165 VanDerWaalsContact O-N 3.1Å; A161-I194 HydrophobicContact CB-CG2 3.59Å; A161-T198 HydrophobicContact CB-CG2 4.01Å; A161-T198 WeakPolarHBondContact CB-OG1 3.31Å |
| 162 | L | 97.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.7 | -32.8 | 172.6 | -72.1 | 169.5 | 0 | 0 | 0 | 113.1 | L117 L120 L128 L158 V159 N164 K165 T198 L239 | L117-L162 HydrophobicContact CD2-CD1 4.04Å; L120-L162 HydrophobicContact CB-CB 3.96Å; L120-L162 HydrophobicContact CB-CD1 4.32Å; L128-L162 VanDerWaalsContact CD1-O 3.28Å; L128-L162 WeakPolarHBondContact CD1-O 3.24Å; L158-L162 HydrophobicContact CD1-CD1 4.3Å; L158-L162 HydrophobicContact CD1-CG 4.34Å; L158-L162 HydrophobicContact CG-CD1 4.1Å; L158-L162 WeakPolarHBondContact O-CG 3.4Å; L158-L162 PolarHBondContact O-N 2.95Å; V159-L162 PolarHBondContact O-N 2.88Å; L162-N164 VanDerWaalsContact C-N 3.31Å; L162-K165 WeakPolarHBondContact O-CE 3.18Å; L162-K165 VanDerWaalsContact O-CG 3.3Å; L162-K165 WeakPolarHBondContact O-CG 3.1Å; L162-T198 HydrophobicContact CD2-CG2 3.68Å; L162-T198 HydrophobicContact CG-CG2 3.84Å; L162-L239 HydrophobicContact CD2-CD1 3.85Å; L162-L239 HydrophobicContact CD2-CD2 4.08Å |
| 163 | L | 97.6 | Very high | 95 | Very high | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 171.1 | -179 | 66.6 | 0 | 0 | 0 | 110.9 | L120 L128 L143 E144 L147 V159 V160 | L120-L163 HydrophobicContact CD2-CB 4.23Å; L120-L163 HydrophobicContact CD2-CD1 4.18Å; L128-L163 HydrophobicContact CB-CD1 4.38Å; L143-L163 HydrophobicContact CD2-CD1 3.83Å; L143-L163 HydrophobicContact CG-CD1 4.47Å; L143-L163 HydrophobicContact CG-CD2 4.37Å; E144-L163 HydrophobicContact CB-CD2 3.75Å; E144-L163 HydrophobicContact CG-CD2 4.15Å; L147-L163 HydrophobicContact CD1-CB 4.42Å; L147-L163 HydrophobicContact CD1-CD2 3.96Å; V159-L163 PolarHBondContact O-N 2.91Å; V160-L163 PolarHBondContact O-N 3.49Å |
| 164 | N | 95.6 | Very high | 95 | Very high | 73 Ų | 73 | 52 Ų | 52 | 39% | 0.39 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 35.4 | -174.3 | -68.1 | -62.7 | 0 | 0 | 0 | 113.3 | E144 V160 A161 L162 A166 | E144-N164 PolarHBondContact OE2-ND2 3.14Å; V160-N164 WeakPolarHBondContact O-CB 3.45Å; V160-N164 PolarHBondContact O-N 3.05Å; V160-N164 PolarHBondContact O-ND2 3.37Å; V160-N164 VanDerWaalsContact O-ND2 3.07Å; A161-N164 CarbonylContact O-C 3.59Å; A161-N164 VanDerWaalsContact O-C 3.26Å; A161-N164 PolarHBondContact O-N 3.45Å; L162-N164 VanDerWaalsContact C-N 3.31Å; N164-A166 PolarHBondContact O-N 3.28Å |
| 165 | K | 91.1 | Very high | 95 | Very high | 36 Ų | 36 | 49.6 Ų | 49.6 | 16% | 0.157 | 29% | 0.289 | C | S | . | . | trans | -39.9 | 127.9 | -176.3 | -75.7 | 172.3 | -168.5 | -174.7 | 0 | 111.6 | L120 C121 R123 R125 L128 A161 L162 | L120-K165 WeakPolarHBondContact O-CE 3.48Å; L120-K165 PolarHBondContact O-NZ 2.93Å; C121-K165 PolarHBondContact O-NZ 3Å; R123-K165 PolarHBondContact O-NZ 3.36Å; R125-K165 HydrophobicContact CB-CB 4.08Å; R125-K165 WeakPolarHBondContact CD-O 3.17Å; R125-K165 HydrophobicContact CG-CB 4.28Å; R125-K165 WeakPolarHBondContact CG-O 3.41Å; R125-K165 VanDerWaalsContact CZ-O 3.27Å; R125-K165 PolarHBondContact NE-O 3.27Å; L128-K165 HydrophobicContact CD1-CD 4.38Å; A161-K165 PolarHBondContact O-N 3.33Å; A161-K165 VanDerWaalsContact O-N 3.1Å; L162-K165 WeakPolarHBondContact O-CE 3.18Å; L162-K165 VanDerWaalsContact O-CG 3.3Å; L162-K165 WeakPolarHBondContact O-CG 3.1Å | ||
| 166 | A | 85.8 | Confident | 95.1 | Very high | 41 Ų | 41 | 49.4 Ų | 49.4 | 34% | 0.339 | 29% | 0.288 | S | S | . | . | trans | -93.4 | 161.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | N164 T168 T198 S199 | N164-A166 PolarHBondContact O-N 3.28Å; A166-T168 HydrophobicContact CB-CG2 4.24Å; A166-T198 PolarHBondContact N-O 3.25Å; A166-S199 CarbonylContact C-O 3.14Å; A166-S199 CarbonylContact O-C 3.58Å; A166-S199 WeakPolarHBondContact O-CA 3.49Å; A166-S199 VanDerWaalsContact O-O 3.12Å | ||
| 167 | A | 85.9 | Confident | 95 | Very high | 95 Ų | 95 | 53.6 Ų | 53.6 | 79% | 0.785 | 31% | 0.305 | S | S | * | . | trans | -125.6 | 85.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | S199 | A167-S199 WeakPolarHBondContact CA-O 3.39Š| ||
| 168 | T | 89.6 | Confident | 95 | Very high | 63 Ų | 63 | 49.2 Ų | 49.2 | 39% | 0.387 | 30% | 0.297 | S | S | . | . | trans | -114.3 | 131.4 | -177.9 | 51.1 | 0 | 0 | 0 | 0 | 109.2 | A166 G170 S199 R200 | A166-T168 HydrophobicContact CB-CG2 4.24Å; T168-G170 PolarHBondContact O-N 2.98Å; T168-S199 PolarHBondContact N-O 3.34Å; T168-S199 WeakPolarHBondContact OG1-CB 3.26Å; T168-S199 PolarHBondContact OG1-O 3.31Å; T168-S199 PolarHBondContact OG1-OG 2.73Å; T168-R200 WeakPolarHBondContact O-CD 3.21Å; T168-R200 PolarHBondContact OG1-NH1 3.04Å | ||
| 169 | A | 89.1 | Confident | 95 | Very high | 104 Ų | 104 | 49.2 Ų | 49.2 | 86% | 0.86 | 30% | 0.297 | S | S | * | . | trans | -62.1 | 135.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 170 | G | 89.6 | Confident | 95 | Very high | 30 Ų | 30 | 50.1 Ų | 50.1 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | trans | -114.2 | 168.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T168 R200 H204 | T168-G170 PolarHBondContact O-N 2.98Å; G170-R200 VanDerWaalsContact CA-NE 3.31Å; G170-H204 VanDerWaalsContact C-CE1 3.45Å | ||
| 171 | S | 96.6 | Very high | 94.9 | Very high | 46 Ų | 46 | 51.7 Ų | 51.7 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | trans | -111.1 | 122.4 | 162.2 | 163.9 | 0 | 0 | 0 | 0 | 106.6 | Q173 R174 D175 | S171-Q173 VanDerWaalsContact C-N 3.27Å; S171-Q173 PolarHBondContact O-N 3.02Å; S171-R174 PolarHBondContact O-N 3.34Å; S171-D175 PolarHBondContact O-N 3.38Å | ||
| 172 | V | 97.6 | Very high | 94.9 | Very high | 29 Ų | 29 | 50.9 Ų | 50.9 | 18% | 0.176 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -52.2 | -51.7 | -177.4 | 178.2 | 0 | 0 | 0 | 0 | 109.6 | R174 D175 V176 H204 K207 V208 E211 | V172-R174 VanDerWaalsContact C-N 3.34Å; V172-R174 PolarHBondContact O-N 3.31Å; V172-D175 PolarHBondContact O-N 2.84Å; V172-D175 VanDerWaalsContact O-N 3.16Å; V172-V176 HydrophobicContact CG1-CG2 4.07Å; V172-V176 WeakPolarHBondContact O-CB 3.14Å; V172-V176 WeakPolarHBondContact O-CG2 3.4Å; V172-V176 PolarHBondContact O-N 3.25Å; V172-H204 PolarHBondContact N-CE1 2.91Å; V172-K207 HydrophobicContact CG1-CB 4.13Å; V172-K207 HydrophobicContact CG2-CB 4.13Å; V172-V208 HydrophobicContact CB-CG2 4.23Å; V172-V208 HydrophobicContact CG1-CG2 3.87Å; V172-V208 HydrophobicContact CG2-CG2 4.33Å; V172-E211 VanDerWaalsContact CG1-CD 3.42Å; V172-E211 HydrophobicContact CG1-CG 4.34Å; V172-E211 WeakPolarHBondContact CG1-OE1 3.19Å; V172-E211 WeakPolarHBondContact CG1-OE2 3.4Å |
| 173 | Q | 97.6 | Very high | 94.8 | Very high | 129 Ų | 129 | 51.7 Ų | 51.7 | 60% | 0.603 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -54.2 | -44.1 | 177.2 | -171.6 | 179.8 | 19.8 | 0 | 0 | 113.7 | S171 Q177 | S171-Q173 VanDerWaalsContact C-N 3.27Å; S171-Q173 PolarHBondContact O-N 3.02Å; Q173-Q177 WeakPolarHBondContact O-CB 3.48Å; Q173-Q177 WeakPolarHBondContact O-CG 3.43Å; Q173-Q177 PolarHBondContact O-N 2.94Å |
| 174 | R | 97.9 | Very high | 94.4 | Very high | 182 Ų | 182 | 56.4 Ų | 56.4 | 69% | 0.687 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -69.9 | -40.1 | 179.8 | -69.5 | -175.3 | -177.4 | 155.9 | 1 | 112.2 | S171 V172 Q177 A178 | S171-R174 PolarHBondContact O-N 3.34Å; V172-R174 VanDerWaalsContact C-N 3.34Å; V172-R174 PolarHBondContact O-N 3.31Å; R174-Q177 PolarHBondContact O-N 2.88Å; R174-A178 WeakPolarHBondContact O-CB 3.24Å; R174-A178 PolarHBondContact O-N 3.33Å |
| 175 | D | 98.3 | Very high | 94 | Very high | 12 Ų | 12 | 54.7 Ų | 54.7 | 6% | 0.064 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.9 | -41.5 | 180 | -71.9 | -26.6 | 0 | 0 | 0 | 110.5 | S171 V172 A178 L179 I196 R200 H204 V208 | S171-D175 PolarHBondContact O-N 3.38Å; V172-D175 PolarHBondContact O-N 2.84Å; V172-D175 VanDerWaalsContact O-N 3.16Å; D175-A178 PolarHBondContact O-N 2.72Å; D175-L179 WeakPolarHBondContact O-CG 3.3Å; D175-L179 PolarHBondContact O-N 3.05Å; D175-I196 HydrophobicContact CB-CD1 3.88Å; D175-I196 HydrophobicContact CB-CG1 4.28Å; D175-I196 HydrophobicContact CB-CG2 4.14Å; D175-R200 IonicContact OD1-CZ 2.73Å; D175-R200 IonicContact OD1-NE 2.98Å; D175-R200 IonicContact OD1-NH2 3.98Å; D175-R200 PolarHBondContact OD1-NH2 3.04Å; D175-R200 IonicContact OD2-CZ 3.62Å; D175-R200 IonicContact OD2-NE 3.69Å; D175-R200 PolarHBondContact OD2-NE 3.36Å; D175-R200 IonicContact OD2-NH2 3.76Å; D175-R200 PolarHBondContact OD2-NH2 3Å; D175-H204 IonicContact OD2-CD2 3.51Å; D175-H204 IonicContact OD2-CE1 2.83Å; D175-H204 PolarHBondContact OD2-CE1 3.33Å; D175-H204 IonicContact OD2-NE2 2.76Å; D175-H204 PolarHBondContact OD2-NE2 3.49Å; D175-V208 HydrophobicContact CB-CG1 4.17Å; D175-V208 HydrophobicContact CB-CG2 3.85Å |
| 176 | V | 98.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.018 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.2 | -50.6 | 172.5 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | V172 A178 L179 A180 V208 E211 E215 | V172-V176 HydrophobicContact CG1-CG2 4.07Å; V172-V176 WeakPolarHBondContact O-CB 3.14Å; V172-V176 WeakPolarHBondContact O-CG2 3.4Å; V172-V176 PolarHBondContact O-N 3.25Å; V176-A178 VanDerWaalsContact C-N 3.3Å; V176-A178 PolarHBondContact O-N 3.08Å; V176-L179 PolarHBondContact O-N 2.81Å; V176-A180 WeakPolarHBondContact O-CB 3.48Å; V176-A180 PolarHBondContact O-N 2.87Å; V176-V208 HydrophobicContact CG2-CB 4.34Å; V176-V208 HydrophobicContact CG2-CG1 4.06Å; V176-V208 HydrophobicContact CG2-CG2 4.45Å; V176-E211 HydrophobicContact CG1-CB 4.39Å; V176-E211 HydrophobicContact CG2-CB 3.62Å; V176-E215 WeakPolarHBondContact CG1-OE2 3.41Å |
| 177 | Q | 97.8 | Very high | 94 | Very high | 101 Ų | 101 | 69.5 Ų | 69.5 | 47% | 0.472 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 177.1 | -75.4 | 172.1 | -4.7 | 0 | 0 | 112.4 | Q173 R174 A181 | Q173-Q177 WeakPolarHBondContact O-CB 3.48Å; Q173-Q177 WeakPolarHBondContact O-CG 3.43Å; Q173-Q177 PolarHBondContact O-N 2.94Å; R174-Q177 PolarHBondContact O-N 2.88Å; Q177-A181 WeakPolarHBondContact O-CB 3.34Å; Q177-A181 PolarHBondContact O-N 2.75Å |
| 178 | A | 98.1 | Very high | 94.4 | Very high | 38 Ų | 38 | 65.9 Ų | 65.9 | 31% | 0.314 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R174 D175 V176 S182 I196 | R174-A178 WeakPolarHBondContact O-CB 3.24Å; R174-A178 PolarHBondContact O-N 3.33Å; D175-A178 PolarHBondContact O-N 2.72Å; V176-A178 VanDerWaalsContact C-N 3.3Å; V176-A178 PolarHBondContact O-N 3.08Å; A178-S182 WeakPolarHBondContact O-CB 3.3Å; A178-S182 PolarHBondContact O-N 2.86Å; A178-I196 HydrophobicContact CB-CD1 4.11Å |
| 179 | L | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.8 | -48.1 | 174.7 | -67.2 | 178.5 | 0 | 0 | 0 | 110.9 | D175 V176 A181 S182 L183 P192 W193 I196 V208 L212 | D175-L179 WeakPolarHBondContact O-CG 3.3Å; D175-L179 PolarHBondContact O-N 3.05Å; V176-L179 PolarHBondContact O-N 2.81Å; L179-A181 PolarHBondContact O-N 3.23Å; L179-S182 WeakPolarHBondContact O-CB 3.34Å; L179-S182 PolarHBondContact O-N 3.2Å; L179-S182 VanDerWaalsContact O-N 3.15Å; L179-S182 PolarHBondContact O-OG 3.04Å; L179-L183 WeakPolarHBondContact O-CG 3.3Å; L179-L183 PolarHBondContact O-N 3.37Å; L179-P192 HydrophobicContact CD2-CB 4.35Å; L179-W193 HydrophobicContact CD2-CB 4.41Å; L179-W193 HydrophobicContact CD2-CD2 3.81Å; L179-W193 HydrophobicContact CD2-CE3 4.42Å; L179-W193 HydrophobicContact CD2-CG 3.81Å; L179-W193 HydrophobicContact CD2-CZ2 4.45Å; L179-I196 HydrophobicContact CD1-CD1 4.46Å; L179-I196 HydrophobicContact CD2-CD1 3.83Å; L179-I196 HydrophobicContact CG-CD1 3.78Å; L179-V208 HydrophobicContact CD1-CG1 3.63Å; L179-L212 HydrophobicContact CB-CD1 3.99Å; L179-L212 HydrophobicContact CB-CD2 4.05Å; L179-L212 HydrophobicContact CD1-CD2 3.98Å |
| 180 | A | 97 | Very high | 95.1 | Very high | 19 Ų | 19 | 64.2 Ų | 64.2 | 16% | 0.157 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | V176 S182 L183 S184 L212 | V176-A180 WeakPolarHBondContact O-CB 3.48Å; V176-A180 PolarHBondContact O-N 2.87Å; A180-S182 VanDerWaalsContact C-N 3.32Å; A180-S182 PolarHBondContact O-N 2.65Å; A180-L183 WeakPolarHBondContact O-CB 2.94Å; A180-L183 PolarHBondContact O-N 2.62Å; A180-L183 VanDerWaalsContact O-N 3.08Å; A180-S184 PolarHBondContact O-N 3.38Å; A180-L212 HydrophobicContact CB-CD1 4.2Å |
| 181 | A | 96.8 | Very high | 95.5 | Very high | 56 Ų | 56 | 64 Ų | 64 | 46% | 0.463 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q177 L179 L183 S184 | Q177-A181 WeakPolarHBondContact O-CB 3.34Å; Q177-A181 PolarHBondContact O-N 2.75Å; L179-A181 PolarHBondContact O-N 3.23Å; A181-L183 PolarHBondContact O-N 2.75Å; A181-S184 WeakPolarHBondContact O-CB 3.42Å; A181-S184 PolarHBondContact O-N 2.96Å; A181-S184 VanDerWaalsContact O-N 3.09Å; A181-S184 PolarHBondContact O-OG 3.46Å |
| 182 | S | 97 | Very high | 95.5 | Very high | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.3 | -18.7 | 177.7 | 82 | 0 | 0 | 0 | 0 | 113.7 | A178 L179 A180 A188 E189 W193 | A178-S182 WeakPolarHBondContact O-CB 3.3Å; A178-S182 PolarHBondContact O-N 2.86Å; L179-S182 WeakPolarHBondContact O-CB 3.34Å; L179-S182 PolarHBondContact O-N 3.2Å; L179-S182 VanDerWaalsContact O-N 3.15Å; L179-S182 PolarHBondContact O-OG 3.04Å; A180-S182 VanDerWaalsContact C-N 3.32Å; A180-S182 PolarHBondContact O-N 2.65Å; S182-A188 CarbonylContact O-C 3.57Å; S182-A188 WeakPolarHBondContact O-CA 3.28Å; S182-E189 PolarHBondContact O-N 3Å; S182-W193 PolarHBondContact OG-NE1 3.19Å |
| 183 | L | 95.6 | Very high | 95.6 | Very high | 19 Ų | 19 | 61.9 Ų | 61.9 | 10% | 0.099 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -94.6 | -14.9 | -179.9 | -61.3 | 177.3 | 0 | 0 | 0 | 113.6 | L179 A180 A181 G185 A188 W193 L223 R227 F228 | L179-L183 WeakPolarHBondContact O-CG 3.3Å; L179-L183 PolarHBondContact O-N 3.37Å; A180-L183 WeakPolarHBondContact O-CB 2.94Å; A180-L183 PolarHBondContact O-N 2.62Å; A180-L183 VanDerWaalsContact O-N 3.08Å; A181-L183 PolarHBondContact O-N 2.75Å; L183-G185 PolarHBondContact O-N 2.9Å; L183-A188 HydrophobicContact CD2-CB 4.01Å; L183-W193 HydrophobicContact CD1-CZ2 4.17Å; L183-W193 HydrophobicContact CD2-CZ2 3.93Å; L183-W193 HydrophobicContact CG-CZ2 4.28Å; L183-L223 HydrophobicContact CD1-CD1 4.17Å; L183-L223 HydrophobicContact CD1-CD2 4.05Å; L183-R227 HydrophobicContact CD2-CB 4.1Å; L183-R227 HydrophobicContact CD2-CG 4.04Å; L183-R227 PolarHBondContact O-NH2 3.39Å; L183-F228 HydrophobicContact CD2-CE2 4.42Å; L183-F228 HydrophobicContact CD2-CZ 4.43Å |
| 184 | S | 89.7 | Confident | 95.6 | Very high | 105 Ų | 105 | 56.2 Ų | 56.2 | 73% | 0.734 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -71.9 | -22.9 | -170.9 | 66.8 | 0 | 0 | 0 | 0 | 114.9 | A180 A181 | A180-S184 PolarHBondContact O-N 3.38Å; A181-S184 WeakPolarHBondContact O-CB 3.42Å; A181-S184 PolarHBondContact O-N 2.96Å; A181-S184 VanDerWaalsContact O-N 3.09Å; A181-S184 PolarHBondContact O-OG 3.46Å |
| 185 | G | 86.8 | Confident | 95.5 | Very high | 38 Ų | 38 | 52.1 Ų | 52.1 | 39% | 0.392 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -78.1 | 177.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L183 K187 R227 | L183-G185 PolarHBondContact O-N 2.9Å; G185-K187 VanDerWaalsContact C-N 3.26Å; G185-K187 PolarHBondContact O-N 3.23Å; G185-R227 PolarHBondContact O-NH2 3.46Å |
| 186 | K | 87.1 | Confident | 95.5 | Very high | 207 Ų | 207 | 51.7 Ų | 51.7 | 90% | 0.9 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -62.4 | -35.4 | 173.5 | -173.6 | 175.7 | -179.2 | 177.5 | 0 | 112 | ||
| 187 | K | 88.6 | Confident | 95.4 | Very high | 180 Ų | 180 | 51.8 Ų | 51.8 | 78% | 0.783 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -119.8 | 141.6 | 171.9 | -67 | -175.1 | 176.4 | -175.2 | 0 | 108.2 | G185 | G185-K187 VanDerWaalsContact C-N 3.26Å; G185-K187 PolarHBondContact O-N 3.23Å |
| 188 | A | 94.3 | Very high | 95.3 | Very high | 20 Ų | 20 | 47.6 Ų | 47.6 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | trans | -74.1 | 148 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S182 L183 R227 F228 | S182-A188 CarbonylContact O-C 3.57Å; S182-A188 WeakPolarHBondContact O-CA 3.28Å; L183-A188 HydrophobicContact CD2-CB 4.01Å; A188-R227 HydrophobicContact CB-CB 3.93Å; A188-F228 HydrophobicContact CB-CD1 4.24Å; A188-F228 HydrophobicContact CB-CE1 3.53Å; A188-F228 HydrophobicContact CB-CE2 4.41Å; A188-F228 HydrophobicContact CB-CZ 3.63Å | ||
| 189 | E | 96.8 | Very high | 95.1 | Very high | 125 Ų | 125 | 46 Ų | 46 | 58% | 0.584 | 26% | 0.263 | S | S | * | . | trans | -92.7 | 121.8 | 178.9 | -62.9 | -178.7 | -148.8 | 0 | 0 | 111.1 | S182 G191 | S182-E189 PolarHBondContact O-N 3Å; E189-G191 VanDerWaalsContact C-N 3.33Å; E189-G191 PolarHBondContact O-N 2.91Å | ||
| 190 | A | 97.4 | Very high | 95 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.3 | -28.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D154 W193 I194 F232 | D154-A190 HydrophobicContact CB-CB 3.77Å; D154-A190 WeakPolarHBondContact OD2-CB 3.03Å; A190-W193 PolarHBondContact O-N 2.52Å; A190-I194 HydrophobicContact CB-CD1 4.14Å; A190-I194 WeakPolarHBondContact O-CG1 3.42Å; A190-I194 PolarHBondContact O-N 3.36Å; A190-F232 HydrophobicContact CB-CD1 4.28Å; A190-F232 HydrophobicContact CB-CE1 3.43Å; A190-F232 VanDerWaalsContact CB-CE1 3.43Å; A190-F232 HydrophobicContact CB-CE2 4.23Å; A190-F232 HydrophobicContact CB-CZ 3.42Å; A190-F232 VanDerWaalsContact CB-CZ 3.42Å |
| 191 | G | 97.8 | Very high | 94.7 | Very high | 25 Ų | 25 | 51 Ų | 51 | 26% | 0.258 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.8 | -52.9 | -171 | 0 | 0 | 0 | 0 | 0 | 114.5 | E189 W193 I194 N195 | E189-G191 VanDerWaalsContact C-N 3.33Å; E189-G191 PolarHBondContact O-N 2.91Å; G191-W193 VanDerWaalsContact C-N 3.35Å; G191-W193 PolarHBondContact O-N 3.42Å; G191-I194 PolarHBondContact O-N 3.46Å; G191-N195 WeakPolarHBondContact O-CB 3.3Å; G191-N195 PolarHBondContact O-N 3.38Å |
| 192 | P | 97.8 | Very high | 94.2 | Very high | 30 Ų | 30 | 51.5 Ų | 51.5 | 20% | 0.195 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.7 | -42.8 | 176.9 | -29.1 | 38.5 | 0 | 0 | 0 | 113.3 | L179 N195 I196 | L179-P192 HydrophobicContact CD2-CB 4.35Å; P192-N195 PolarHBondContact O-N 2.69Å; P192-I196 WeakPolarHBondContact O-CB 3.32Å; P192-I196 WeakPolarHBondContact O-CD1 3.29Å; P192-I196 VanDerWaalsContact O-CG1 3.29Å; P192-I196 WeakPolarHBondContact O-CG1 3.44Å; P192-I196 PolarHBondContact O-N 3.2Å |
| 193 | W | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.9 | -48 | 178.4 | -72 | 77 | 0 | 0 | 0 | 112.1 | L179 S182 L183 A190 G191 L197 L212 V220 V224 F228 L236 | L179-W193 HydrophobicContact CD2-CB 4.41Å; L179-W193 HydrophobicContact CD2-CD2 3.81Å; L179-W193 HydrophobicContact CD2-CE3 4.42Å; L179-W193 HydrophobicContact CD2-CG 3.81Å; L179-W193 HydrophobicContact CD2-CZ2 4.45Å; S182-W193 PolarHBondContact OG-NE1 3.19Å; L183-W193 HydrophobicContact CD1-CZ2 4.17Å; L183-W193 HydrophobicContact CD2-CZ2 3.93Å; L183-W193 HydrophobicContact CG-CZ2 4.28Å; A190-W193 PolarHBondContact O-N 2.52Å; G191-W193 VanDerWaalsContact C-N 3.35Å; G191-W193 PolarHBondContact O-N 3.42Å; W193-L197 HydrophobicContact CE3-CD1 3.78Å; W193-L197 HydrophobicContact CZ3-CD1 4.42Å; W193-L197 VanDerWaalsContact O-CB 3.28Å; W193-L197 WeakPolarHBondContact O-CB 3.46Å; W193-L197 VanDerWaalsContact O-CG 3.29Å; W193-L197 WeakPolarHBondContact O-CG 3.38Å; W193-L197 PolarHBondContact O-N 2.77Å; W193-L212 HydrophobicContact CH2-CD2 3.88Å; W193-L212 HydrophobicContact CZ2-CD2 4.16Å; W193-V220 HydrophobicContact CH2-CG1 4.38Å; W193-V220 HydrophobicContact CZ3-CG1 4.19Å; W193-V224 HydrophobicContact CH2-CG2 4.32Å; W193-V224 HydrophobicContact CZ3-CG2 3.94Å; W193-F228 AromaticContact CD1-CZ 3.62Å; W193-F228 HydrophobicContact CD2-CE2 4.03Å; W193-F228 HydrophobicContact CD2-CZ 4.07Å; W193-F228 AromaticContact CE2-CE2 3.83Å; W193-F228 AromaticContact CE2-CZ 3.87Å; W193-F228 HydrophobicContact CG-CE2 4.37Å; W193-F228 AromaticContact CG-CZ 3.95Å; W193-F228 HydrophobicContact CG-CZ 3.95Å; W193-F228 HydrophobicContact CZ2-CE2 4.21Å; W193-F228 AromaticContact NE1-CZ 3.57Å; W193-L236 HydrophobicContact CB-CD1 4.39Å; W193-L236 HydrophobicContact CB-CD2 4.03Å; W193-L236 HydrophobicContact CD2-CD1 4.3Å; W193-L236 HydrophobicContact CE3-CD1 4.08Å; W193-L236 HydrophobicContact CE3-CD2 4.28Å; W193-L236 HydrophobicContact CG-CD1 4.43Å |
| 194 | I | 97.9 | Very high | 93.9 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 6% | 0.056 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.8 | -52.8 | 176.9 | -65.7 | 166.1 | 0 | 0 | 0 | 109.8 | R157 L158 A161 A190 G191 I196 T198 F232 | R157-I194 HydrophobicContact CB-CD1 3.79Å; L158-I194 HydrophobicContact CB-CD1 4.49Å; L158-I194 HydrophobicContact CB-CG1 4.2Å; L158-I194 HydrophobicContact CD1-CG1 4.21Å; A161-I194 HydrophobicContact CB-CG2 3.59Å; A190-I194 HydrophobicContact CB-CD1 4.14Å; A190-I194 WeakPolarHBondContact O-CG1 3.42Å; A190-I194 PolarHBondContact O-N 3.36Å; G191-I194 PolarHBondContact O-N 3.46Å; I194-I196 PolarHBondContact O-N 2.77Å; I194-T198 WeakPolarHBondContact O-CB 3.38Å; I194-T198 WeakPolarHBondContact O-CG2 3.41Å; I194-T198 PolarHBondContact O-N 3.1Å; I194-T198 PolarHBondContact O-OG1 2.86Å; I194-F232 HydrophobicContact CD1-CE2 3.78Å; I194-F232 HydrophobicContact CD1-CZ 4.12Å; I194-F232 HydrophobicContact CG1-CE2 3.64Å; I194-F232 HydrophobicContact CG1-CZ 3.91Å |
| 195 | N | 96.9 | Very high | 94.2 | Very high | 95 Ų | 95 | 51.5 Ų | 51.5 | 51% | 0.508 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.2 | -51.3 | -175.8 | -175.8 | 11.1 | 0 | 0 | 0 | 111.3 | G191 P192 S199 | G191-N195 WeakPolarHBondContact O-CB 3.3Å; G191-N195 PolarHBondContact O-N 3.38Å; P192-N195 PolarHBondContact O-N 2.69Å; N195-S199 WeakPolarHBondContact O-CB 3.41Å; N195-S199 PolarHBondContact O-N 3.4Å; N195-S199 PolarHBondContact O-OG 3.07Å |
| 196 | I | 97.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.4 | -52.7 | -174.2 | -66.8 | 165.3 | 0 | 0 | 0 | 110.4 | D175 A178 L179 P192 I194 T198 S199 R200 L205 V208 | D175-I196 HydrophobicContact CB-CD1 3.88Å; D175-I196 HydrophobicContact CB-CG1 4.28Å; D175-I196 HydrophobicContact CB-CG2 4.14Å; A178-I196 HydrophobicContact CB-CD1 4.11Å; L179-I196 HydrophobicContact CD1-CD1 4.46Å; L179-I196 HydrophobicContact CD2-CD1 3.83Å; L179-I196 HydrophobicContact CG-CD1 3.78Å; P192-I196 WeakPolarHBondContact O-CB 3.32Å; P192-I196 WeakPolarHBondContact O-CD1 3.29Å; P192-I196 VanDerWaalsContact O-CG1 3.29Å; P192-I196 WeakPolarHBondContact O-CG1 3.44Å; P192-I196 PolarHBondContact O-N 3.2Å; I194-I196 PolarHBondContact O-N 2.77Å; I196-T198 VanDerWaalsContact C-N 3.25Å; I196-T198 PolarHBondContact O-N 3.33Å; I196-S199 PolarHBondContact O-N 2.95Å; I196-R200 HydrophobicContact CG2-CG 4.16Å; I196-R200 WeakPolarHBondContact O-CG 3.34Å; I196-R200 PolarHBondContact O-N 3.05Å; I196-L205 HydrophobicContact CG2-CD2 3.88Å; I196-V208 HydrophobicContact CG2-CG1 4.48Å |
| 197 | L | 95.8 | Very high | 94.9 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.6 | -17.3 | -172.3 | -60.4 | 173.9 | 0 | 0 | 0 | 114.2 | W193 L205 L209 L236 L239 I243 | W193-L197 HydrophobicContact CE3-CD1 3.78Å; W193-L197 HydrophobicContact CZ3-CD1 4.42Å; W193-L197 VanDerWaalsContact O-CB 3.28Å; W193-L197 WeakPolarHBondContact O-CB 3.46Å; W193-L197 VanDerWaalsContact O-CG 3.29Å; W193-L197 WeakPolarHBondContact O-CG 3.38Å; W193-L197 PolarHBondContact O-N 2.77Å; L197-L205 HydrophobicContact CD2-CD2 4Å; L197-L209 HydrophobicContact CD2-CD2 4.08Å; L197-L236 HydrophobicContact CD1-CD2 3.87Å; L197-L239 HydrophobicContact CB-CD2 3.48Å; L197-L239 VanDerWaalsContact CB-CD2 3.48Å; L197-L239 HydrophobicContact CB-CG 4.21Å; L197-L239 HydrophobicContact CD1-CD2 4.28Å; L197-I243 HydrophobicContact CD2-CD1 4.14Å |
| 198 | T | 96.1 | Very high | 95.3 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 8% | 0.08 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | 4.1 | 177.9 | 75.7 | 0 | 0 | 0 | 0 | 114.1 | L158 A161 L162 A166 I194 I196 L239 | L158-T198 HydrophobicContact CD1-CG2 3.82Å; A161-T198 HydrophobicContact CB-CG2 4.01Å; A161-T198 WeakPolarHBondContact CB-OG1 3.31Å; L162-T198 HydrophobicContact CD2-CG2 3.68Å; L162-T198 HydrophobicContact CG-CG2 3.84Å; A166-T198 PolarHBondContact N-O 3.25Å; I194-T198 WeakPolarHBondContact O-CB 3.38Å; I194-T198 WeakPolarHBondContact O-CG2 3.41Å; I194-T198 PolarHBondContact O-N 3.1Å; I194-T198 PolarHBondContact O-OG1 2.86Å; I196-T198 VanDerWaalsContact C-N 3.25Å; I196-T198 PolarHBondContact O-N 3.33Å; T198-L239 HydrophobicContact CG2-CD2 4.16Å |
| 199 | S | 95 | Very high | 95.5 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.7 | -13.7 | -176.2 | 70.1 | 0 | 0 | 0 | 0 | 116.3 | A166 A167 T168 N195 I196 | A166-S199 CarbonylContact C-O 3.14Å; A166-S199 CarbonylContact O-C 3.58Å; A166-S199 WeakPolarHBondContact O-CA 3.49Å; A166-S199 VanDerWaalsContact O-O 3.12Å; A167-S199 WeakPolarHBondContact CA-O 3.39Å; T168-S199 PolarHBondContact N-O 3.34Å; T168-S199 WeakPolarHBondContact OG1-CB 3.26Å; T168-S199 PolarHBondContact OG1-O 3.31Å; T168-S199 PolarHBondContact OG1-OG 2.73Å; N195-S199 WeakPolarHBondContact O-CB 3.41Å; N195-S199 PolarHBondContact O-N 3.4Å; N195-S199 PolarHBondContact O-OG 3.07Å; I196-S199 PolarHBondContact O-N 2.95Å |
| 200 | R | 94.4 | Very high | 95.4 | Very high | 37 Ų | 37 | 38.7 Ų | 38.7 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -95.7 | 157.9 | 177.2 | -56.6 | -63.8 | -179 | -86.4 | -14.7 | 111.1 | T168 G170 D175 I196 H204 L205 | T168-R200 WeakPolarHBondContact O-CD 3.21Å; T168-R200 PolarHBondContact OG1-NH1 3.04Å; G170-R200 VanDerWaalsContact CA-NE 3.31Å; D175-R200 IonicContact OD1-CZ 2.73Å; D175-R200 IonicContact OD1-NE 2.98Å; D175-R200 IonicContact OD1-NH2 3.98Å; D175-R200 PolarHBondContact OD1-NH2 3.04Å; D175-R200 IonicContact OD2-CZ 3.62Å; D175-R200 IonicContact OD2-NE 3.69Å; D175-R200 PolarHBondContact OD2-NE 3.36Å; D175-R200 IonicContact OD2-NH2 3.76Å; D175-R200 PolarHBondContact OD2-NH2 3Å; I196-R200 HydrophobicContact CG2-CG 4.16Å; I196-R200 WeakPolarHBondContact O-CG 3.34Å; I196-R200 PolarHBondContact O-N 3.05Å; R200-H204 HydrophobicContact CB-CB 4.41Å; R200-L205 HydrophobicContact CB-CD1 4.28Å; R200-L205 HydrophobicContact CB-CD2 3.58Å; R200-L205 HydrophobicContact CB-CG 3.69Å; R200-L205 HydrophobicContact CG-CD2 3.99Å |
| 201 | D | 90.8 | Very high | 95.4 | Very high | 88 Ų | 88 | 42.3 Ų | 42.3 | 47% | 0.471 | 23% | 0.226 | S | C | . | . | trans | -72.9 | 161.7 | 170.3 | 61.1 | 92.7 | 0 | 0 | 0 | 112.2 | D203 H204 L205 | D201-D203 PolarHBondContact O-N 3.17Å; D201-D203 PolarHBondContact OD1-N 3.06Å; D201-H204 PolarHBondContact O-N 3.4Å; D201-H204 WeakPolarHBondContact OD1-CB 3.43Å; D201-H204 PolarHBondContact OD1-N 3.39Å; D201-H204 WeakPolarHBondContact OD2-CB 3.5Å; D201-L205 WeakPolarHBondContact O-CG 3.25Å; D201-L205 PolarHBondContact O-N 3.02Å | ||
| 202 | S | 88 | Confident | 95.4 | Very high | 66 Ų | 66 | 41.1 Ų | 41.1 | 46% | 0.462 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.5 | -45.9 | -175.6 | 49.3 | 0 | 0 | 0 | 0 | 112.9 | H204 L205 D206 | S202-H204 VanDerWaalsContact C-N 3.3Å; S202-H204 PolarHBondContact O-N 3.5Å; S202-L205 PolarHBondContact O-N 3.4Å; S202-L205 VanDerWaalsContact O-N 3.1Å; S202-D206 PolarHBondContact O-N 3.35Å |
| 203 | D | 90.3 | Very high | 95.4 | Very high | 105 Ų | 105 | 42.8 Ų | 42.8 | 56% | 0.561 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -66.1 | -36.2 | -175.9 | -64.9 | 5.2 | 0 | 0 | 0 | 111.5 | D201 K207 | D201-D203 PolarHBondContact O-N 3.17Å; D201-D203 PolarHBondContact OD1-N 3.06Å; D203-K207 WeakPolarHBondContact O-CG 3.14Å; D203-K207 PolarHBondContact O-N 3.45Å |
| 204 | H | 95.1 | Very high | 95.4 | Very high | 17 Ų | 17 | 49 Ų | 49 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.1 | -45.7 | 171.6 | -178.8 | 95.5 | 0 | 0 | 0 | 111.5 | G170 V172 D175 R200 D201 S202 D206 K207 V208 | G170-H204 VanDerWaalsContact C-CE1 3.45Å; V172-H204 PolarHBondContact N-CE1 2.91Å; D175-H204 IonicContact OD2-CD2 3.51Å; D175-H204 IonicContact OD2-CE1 2.83Å; D175-H204 PolarHBondContact OD2-CE1 3.33Å; D175-H204 IonicContact OD2-NE2 2.76Å; D175-H204 PolarHBondContact OD2-NE2 3.49Å; R200-H204 HydrophobicContact CB-CB 4.41Å; D201-H204 PolarHBondContact O-N 3.4Å; D201-H204 WeakPolarHBondContact OD1-CB 3.43Å; D201-H204 PolarHBondContact OD1-N 3.39Å; D201-H204 WeakPolarHBondContact OD2-CB 3.5Å; S202-H204 VanDerWaalsContact C-N 3.3Å; S202-H204 PolarHBondContact O-N 3.5Å; H204-D206 PolarHBondContact O-N 3.14Å; H204-K207 PolarHBondContact O-N 3.16Å; H204-V208 WeakPolarHBondContact NE2-CG2 3.45Å; H204-V208 WeakPolarHBondContact O-CG2 3.47Å; H204-V208 PolarHBondContact O-N 2.96Å |
| 205 | L | 95.2 | Very high | 95.3 | Very high | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.5 | -41 | -179.9 | -70.7 | 178.5 | 0 | 0 | 0 | 112.2 | I196 L197 R200 D201 S202 K207 V208 L209 I243 | I196-L205 HydrophobicContact CG2-CD2 3.88Å; L197-L205 HydrophobicContact CD2-CD2 4Å; R200-L205 HydrophobicContact CB-CD1 4.28Å; R200-L205 HydrophobicContact CB-CD2 3.58Å; R200-L205 HydrophobicContact CB-CG 3.69Å; R200-L205 HydrophobicContact CG-CD2 3.99Å; D201-L205 WeakPolarHBondContact O-CG 3.25Å; D201-L205 PolarHBondContact O-N 3.02Å; S202-L205 PolarHBondContact O-N 3.4Å; S202-L205 VanDerWaalsContact O-N 3.1Å; L205-K207 VanDerWaalsContact C-N 3.29Å; L205-K207 PolarHBondContact O-N 3.37Å; L205-V208 PolarHBondContact O-N 3.28Å; L205-L209 WeakPolarHBondContact O-CB 3.48Å; L205-L209 VanDerWaalsContact O-CG 3.23Å; L205-L209 WeakPolarHBondContact O-CG 3.42Å; L205-L209 PolarHBondContact O-N 3.4Å; L205-I243 HydrophobicContact CB-CD1 4.44Å; L205-I243 HydrophobicContact CB-CG2 3.99Å; L205-I243 HydrophobicContact CD1-CD1 3.63Å; L205-I243 HydrophobicContact CD1-CG1 4.15Å |
| 206 | D | 93.4 | Very high | 95.2 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 34% | 0.342 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.4 | -42.6 | 176.3 | -78.4 | -25.5 | 0 | 0 | 0 | 111.8 | S202 H204 M210 | S202-D206 PolarHBondContact O-N 3.35Å; H204-D206 PolarHBondContact O-N 3.14Å; D206-M210 VanDerWaalsContact O-CB 3.28Å; D206-M210 WeakPolarHBondContact O-CB 3.34Å; D206-M210 PolarHBondContact O-N 3.3Å |
| 207 | K | 96.2 | Very high | 95.1 | Very high | 117 Ų | 117 | 54.7 Ų | 54.7 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.8 | -44.6 | 176.1 | -68.1 | 169.2 | -172.1 | 163.7 | 0 | 112.1 | V172 D203 H204 L205 L209 M210 E211 | V172-K207 HydrophobicContact CG1-CB 4.13Å; V172-K207 HydrophobicContact CG2-CB 4.13Å; D203-K207 WeakPolarHBondContact O-CG 3.14Å; D203-K207 PolarHBondContact O-N 3.45Å; H204-K207 PolarHBondContact O-N 3.16Å; L205-K207 VanDerWaalsContact C-N 3.29Å; L205-K207 PolarHBondContact O-N 3.37Å; K207-L209 VanDerWaalsContact C-N 3.34Å; K207-L209 PolarHBondContact O-N 2.6Å; K207-M210 PolarHBondContact O-N 3.42Å; K207-E211 WeakPolarHBondContact O-CB 3.2Å; K207-E211 WeakPolarHBondContact O-CG 3.41Å; K207-E211 PolarHBondContact O-N 2.9Å |
| 208 | V | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 177.5 | 168.3 | 0 | 0 | 0 | 0 | 111 | V172 D175 V176 L179 I196 H204 L205 L212 | V172-V208 HydrophobicContact CB-CG2 4.23Å; V172-V208 HydrophobicContact CG1-CG2 3.87Å; V172-V208 HydrophobicContact CG2-CG2 4.33Å; D175-V208 HydrophobicContact CB-CG1 4.17Å; D175-V208 HydrophobicContact CB-CG2 3.85Å; V176-V208 HydrophobicContact CG2-CB 4.34Å; V176-V208 HydrophobicContact CG2-CG1 4.06Å; V176-V208 HydrophobicContact CG2-CG2 4.45Å; L179-V208 HydrophobicContact CD1-CG1 3.63Å; I196-V208 HydrophobicContact CG2-CG1 4.48Å; H204-V208 WeakPolarHBondContact NE2-CG2 3.45Å; H204-V208 WeakPolarHBondContact O-CG2 3.47Å; H204-V208 PolarHBondContact O-N 2.96Å; L205-V208 PolarHBondContact O-N 3.28Å; V208-L212 VanDerWaalsContact O-CB 3.26Å; V208-L212 WeakPolarHBondContact O-CB 3.47Å; V208-L212 PolarHBondContact O-N 3.23Å |
| 209 | L | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 179.6 | -67.9 | 179.9 | 0 | 0 | 0 | 110.8 | L197 L205 K207 L212 E213 V220 V240 I243 Q244 | L197-L209 HydrophobicContact CD2-CD2 4.08Å; L205-L209 WeakPolarHBondContact O-CB 3.48Å; L205-L209 VanDerWaalsContact O-CG 3.23Å; L205-L209 WeakPolarHBondContact O-CG 3.42Å; L205-L209 PolarHBondContact O-N 3.4Å; K207-L209 VanDerWaalsContact C-N 3.34Å; K207-L209 PolarHBondContact O-N 2.6Å; L209-L212 PolarHBondContact O-N 3.13Å; L209-E213 WeakPolarHBondContact O-CG 3.38Å; L209-E213 PolarHBondContact O-N 3.31Å; L209-E213 VanDerWaalsContact O-N 3.07Å; L209-V220 HydrophobicContact CB-CG2 4.04Å; L209-V220 HydrophobicContact CD2-CG1 4.1Å; L209-V220 HydrophobicContact CD2-CG2 3.91Å; L209-V220 HydrophobicContact CG-CG2 4.47Å; L209-V240 HydrophobicContact CD1-CG1 4.24Å; L209-V240 HydrophobicContact CD1-CG2 4.4Å; L209-I243 HydrophobicContact CD1-CG2 4.46Å; L209-Q244 HydrophobicContact CD1-CG 4.5Å |
| 210 | M | 96 | Very high | 95.2 | Very high | 120 Ų | 120 | 59.2 Ų | 59.2 | 59% | 0.591 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.2 | -48.2 | 175.5 | -179.4 | -178 | 174.4 | 0 | 0 | 112.4 | D206 K207 L212 E213 L214 | D206-M210 VanDerWaalsContact O-CB 3.28Å; D206-M210 WeakPolarHBondContact O-CB 3.34Å; D206-M210 PolarHBondContact O-N 3.3Å; K207-M210 PolarHBondContact O-N 3.42Å; M210-L212 VanDerWaalsContact C-N 3.32Å; M210-L212 PolarHBondContact O-N 3.45Å; M210-E213 PolarHBondContact O-N 3.32Å; M210-L214 HydrophobicContact CE-CD1 4.48Å; M210-L214 WeakPolarHBondContact O-CG 3.45Å; M210-L214 PolarHBondContact O-N 2.86Å; M210-L214 VanDerWaalsContact O-N 3.12Å |
| 211 | E | 98 | Very high | 95.2 | Very high | 84 Ų | 84 | 61.3 Ų | 61.3 | 39% | 0.393 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.2 | -34.2 | 178.9 | -75.9 | -174.8 | -154.6 | 0 | 0 | 112.3 | V172 V176 K207 L214 E215 | V172-E211 VanDerWaalsContact CG1-CD 3.42Å; V172-E211 HydrophobicContact CG1-CG 4.34Å; V172-E211 WeakPolarHBondContact CG1-OE1 3.19Å; V172-E211 WeakPolarHBondContact CG1-OE2 3.4Å; V176-E211 HydrophobicContact CG1-CB 4.39Å; V176-E211 HydrophobicContact CG2-CB 3.62Å; K207-E211 WeakPolarHBondContact O-CB 3.2Å; K207-E211 WeakPolarHBondContact O-CG 3.41Å; K207-E211 PolarHBondContact O-N 2.9Å; E211-L214 PolarHBondContact O-N 3.11Å; E211-E215 WeakPolarHBondContact O-CB 3.28Å; E211-E215 PolarHBondContact O-N 3.38Å |
| 212 | L | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 173.2 | -178.5 | 67.6 | 0 | 0 | 0 | 111.8 | L179 A180 W193 V208 L209 M210 L214 E215 T216 L223 | L179-L212 HydrophobicContact CB-CD1 3.99Å; L179-L212 HydrophobicContact CB-CD2 4.05Å; L179-L212 HydrophobicContact CD1-CD2 3.98Å; A180-L212 HydrophobicContact CB-CD1 4.2Å; W193-L212 HydrophobicContact CH2-CD2 3.88Å; W193-L212 HydrophobicContact CZ2-CD2 4.16Å; V208-L212 VanDerWaalsContact O-CB 3.26Å; V208-L212 WeakPolarHBondContact O-CB 3.47Å; V208-L212 PolarHBondContact O-N 3.23Å; L209-L212 PolarHBondContact O-N 3.13Å; M210-L212 VanDerWaalsContact C-N 3.32Å; M210-L212 PolarHBondContact O-N 3.45Å; L212-L214 VanDerWaalsContact C-N 3.32Å; L212-E215 PolarHBondContact O-N 2.71Å; L212-T216 HydrophobicContact CD1-CG2 3.82Å; L212-T216 HydrophobicContact CG-CG2 4.31Å; L212-T216 WeakPolarHBondContact O-CB 3.4Å; L212-T216 VanDerWaalsContact O-CG2 3.29Å; L212-T216 WeakPolarHBondContact O-CG2 3.46Å; L212-T216 PolarHBondContact O-N 2.7Å; L212-T216 PolarHBondContact O-OG1 3.2Å; L212-L223 HydrophobicContact CD2-CD1 4.19Å; L212-L223 HydrophobicContact CG-CD1 4.22Å |
| 213 | E | 97.2 | Very high | 95.9 | Very high | 64 Ų | 64 | 58.8 Ų | 58.8 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 175.3 | -65.6 | -172.9 | 157.8 | 0 | 0 | 111.6 | L209 M210 G217 Q218 T219 V220 | L209-E213 WeakPolarHBondContact O-CG 3.38Å; L209-E213 PolarHBondContact O-N 3.31Å; L209-E213 VanDerWaalsContact O-N 3.07Å; M210-E213 PolarHBondContact O-N 3.32Å; E213-G217 VanDerWaalsContact O-CA 3.31Å; E213-G217 WeakPolarHBondContact O-CA 3.38Å; E213-G217 PolarHBondContact O-N 3.07Å; E213-Q218 WeakPolarHBondContact CA-O 3.39Å; E213-Q218 WeakPolarHBondContact CG-O 3.38Å; E213-T219 VanDerWaalsContact OE1-CA 3.24Å; E213-T219 WeakPolarHBondContact OE1-CA 3.24Å; E213-V220 HydrophobicContact CG-CG2 3.72Å; E213-V220 PolarHBondContact OE1-N 3.46Å |
| 214 | L | 96.9 | Very high | 96.2 | Very high | 130 Ų | 130 | 53.8 Ų | 53.8 | 68% | 0.681 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.7 | -43.7 | 175.9 | -68.2 | 172.8 | 0 | 0 | 0 | 112.1 | M210 E211 L212 | M210-L214 HydrophobicContact CE-CD1 4.48Å; M210-L214 WeakPolarHBondContact O-CG 3.45Å; M210-L214 PolarHBondContact O-N 2.86Å; M210-L214 VanDerWaalsContact O-N 3.12Å; E211-L214 PolarHBondContact O-N 3.11Å; L212-L214 VanDerWaalsContact C-N 3.32Å |
| 215 | E | 95.6 | Very high | 96.2 | Very high | 117 Ų | 117 | 56.6 Ų | 56.6 | 55% | 0.547 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.5 | -39.1 | -179.4 | -175.5 | 172 | 156.2 | 0 | 0 | 112.3 | V176 E211 L212 | V176-E215 WeakPolarHBondContact CG1-OE2 3.41Å; E211-E215 WeakPolarHBondContact O-CB 3.28Å; E211-E215 PolarHBondContact O-N 3.38Å; L212-E215 PolarHBondContact O-N 2.71Å |
| 216 | T | 94.9 | Very high | 96.2 | Very high | 46 Ų | 46 | 63.1 Ų | 63.1 | 28% | 0.282 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -90.7 | -19.6 | -175.6 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | L212 Q218 L223 | L212-T216 HydrophobicContact CD1-CG2 3.82Å; L212-T216 HydrophobicContact CG-CG2 4.31Å; L212-T216 WeakPolarHBondContact O-CB 3.4Å; L212-T216 VanDerWaalsContact O-CG2 3.29Å; L212-T216 WeakPolarHBondContact O-CG2 3.46Å; L212-T216 PolarHBondContact O-N 2.7Å; L212-T216 PolarHBondContact O-OG1 3.2Å; T216-Q218 PolarHBondContact O-N 3.27Å; T216-Q218 PolarHBondContact OG1-N 3.39Å; T216-Q218 PolarHBondContact OG1-O 3.11Å; T216-L223 HydrophobicContact CG2-CD1 4.24Å |
| 217 | G | 96.4 | Very high | 96.4 | Very high | 68 Ų | 68 | 63.3 Ų | 63.3 | 70% | 0.701 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 67.9 | 15.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E213 | E213-G217 VanDerWaalsContact O-CA 3.31Å; E213-G217 WeakPolarHBondContact O-CA 3.38Å; E213-G217 PolarHBondContact O-N 3.07Å |
| 218 | Q | 96.3 | Very high | 96.4 | Very high | 57 Ų | 57 | 58.6 Ų | 58.6 | 27% | 0.266 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -129.2 | 145.1 | 178.6 | -54.9 | -161 | -99.8 | 0 | 0 | 109.7 | E213 T216 L223 | E213-Q218 WeakPolarHBondContact CA-O 3.39Å; E213-Q218 WeakPolarHBondContact CG-O 3.38Å; T216-Q218 PolarHBondContact O-N 3.27Å; T216-Q218 PolarHBondContact OG1-N 3.39Å; T216-Q218 PolarHBondContact OG1-O 3.11Å; Q218-L223 HydrophobicContact CB-CD2 3.8Å; Q218-L223 HydrophobicContact CB-CG 3.92Å; Q218-L223 HydrophobicContact CG-CD2 4.23Å |
| 219 | T | 96.6 | Very high | 96.3 | Very high | 57 Ų | 57 | 62.9 Ų | 62.9 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | trans | -64.6 | 152.3 | 173.2 | 62.3 | 0 | 0 | 0 | 0 | 110.6 | E213 D221 Q222 L223 | E213-T219 VanDerWaalsContact OE1-CA 3.24Å; E213-T219 WeakPolarHBondContact OE1-CA 3.24Å; T219-D221 PolarHBondContact O-N 2.95Å; T219-Q222 WeakPolarHBondContact O-CB 3.37Å; T219-Q222 PolarHBondContact O-N 3.01Å; T219-Q222 VanDerWaalsContact O-N 3.13Å; T219-Q222 WeakPolarHBondContact OG1-CB 3.37Å; T219-Q222 VanDerWaalsContact OG1-CD 3.24Å; T219-Q222 WeakPolarHBondContact OG1-CG 3.39Å; T219-Q222 PolarHBondContact OG1-N 3.45Å; T219-L223 WeakPolarHBondContact O-CG 3.01Å; T219-L223 PolarHBondContact O-N 2.85Å | ||
| 220 | V | 96.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.2 | -40.1 | 176.8 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | W193 L209 E213 L223 V224 V240 | W193-V220 HydrophobicContact CH2-CG1 4.38Å; W193-V220 HydrophobicContact CZ3-CG1 4.19Å; L209-V220 HydrophobicContact CB-CG2 4.04Å; L209-V220 HydrophobicContact CD2-CG1 4.1Å; L209-V220 HydrophobicContact CD2-CG2 3.91Å; L209-V220 HydrophobicContact CG-CG2 4.47Å; E213-V220 HydrophobicContact CG-CG2 3.72Å; E213-V220 PolarHBondContact OE1-N 3.46Å; V220-L223 WeakPolarHBondContact O-CB 3.5Å; V220-L223 PolarHBondContact O-N 3.3Å; V220-V224 HydrophobicContact CG1-CG2 4.15Å; V220-V224 WeakPolarHBondContact O-CB 3.21Å; V220-V224 WeakPolarHBondContact O-CG2 3.38Å; V220-V224 PolarHBondContact O-N 3.12Å; V220-V240 HydrophobicContact CB-CG1 4.47Å; V220-V240 HydrophobicContact CG1-CG1 3.98Å; V220-V240 HydrophobicContact CG1-CG2 3.79Å |
| 221 | D | 94.5 | Very high | 96.3 | Very high | 81 Ų | 81 | 62.5 Ų | 62.5 | 43% | 0.433 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.5 | -50.4 | 177 | -176.3 | 77.6 | 0 | 0 | 0 | 111.9 | T219 L223 V224 E225 | T219-D221 PolarHBondContact O-N 2.95Å; D221-L223 VanDerWaalsContact C-N 3.31Å; D221-L223 PolarHBondContact O-N 3.34Å; D221-V224 PolarHBondContact O-N 3.45Å; D221-E225 WeakPolarHBondContact O-CB 3.24Å; D221-E225 WeakPolarHBondContact O-CG 3.41Å; D221-E225 PolarHBondContact O-N 3.32Å |
| 222 | Q | 95.9 | Very high | 96.3 | Very high | 96 Ų | 96 | 59.3 Ų | 59.3 | 45% | 0.449 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58 | -40.1 | 174.1 | -71.3 | 168.8 | -1.4 | 0 | 0 | 113 | T219 K226 | T219-Q222 WeakPolarHBondContact O-CB 3.37Å; T219-Q222 PolarHBondContact O-N 3.01Å; T219-Q222 VanDerWaalsContact O-N 3.13Å; T219-Q222 WeakPolarHBondContact OG1-CB 3.37Å; T219-Q222 VanDerWaalsContact OG1-CD 3.24Å; T219-Q222 WeakPolarHBondContact OG1-CG 3.39Å; T219-Q222 PolarHBondContact OG1-N 3.45Å; Q222-K226 WeakPolarHBondContact O-CB 3.28Å; Q222-K226 PolarHBondContact O-N 2.97Å |
| 223 | L | 96.6 | Very high | 96.3 | Very high | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.3 | -47.5 | 176.4 | -67.3 | 171.5 | 0 | 0 | 0 | 110.4 | L183 L212 T216 Q218 T219 V220 D221 E225 K226 R227 | L183-L223 HydrophobicContact CD1-CD1 4.17Å; L183-L223 HydrophobicContact CD1-CD2 4.05Å; L212-L223 HydrophobicContact CD2-CD1 4.19Å; L212-L223 HydrophobicContact CG-CD1 4.22Å; T216-L223 HydrophobicContact CG2-CD1 4.24Å; Q218-L223 HydrophobicContact CB-CD2 3.8Å; Q218-L223 HydrophobicContact CB-CG 3.92Å; Q218-L223 HydrophobicContact CG-CD2 4.23Å; T219-L223 WeakPolarHBondContact O-CG 3.01Å; T219-L223 PolarHBondContact O-N 2.85Å; V220-L223 WeakPolarHBondContact O-CB 3.5Å; V220-L223 PolarHBondContact O-N 3.3Å; D221-L223 VanDerWaalsContact C-N 3.31Å; D221-L223 PolarHBondContact O-N 3.34Å; L223-E225 PolarHBondContact O-N 3.41Å; L223-K226 PolarHBondContact O-N 2.96Å; L223-R227 WeakPolarHBondContact O-CB 3.49Å; L223-R227 WeakPolarHBondContact O-CG 3.44Å; L223-R227 PolarHBondContact O-N 2.92Å |
| 224 | V | 96.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | -180 | 168.2 | 0 | 0 | 0 | 0 | 111 | W193 V220 D221 K226 F228 R233 L236 R237 | W193-V224 HydrophobicContact CH2-CG2 4.32Å; W193-V224 HydrophobicContact CZ3-CG2 3.94Å; V220-V224 HydrophobicContact CG1-CG2 4.15Å; V220-V224 WeakPolarHBondContact O-CB 3.21Å; V220-V224 WeakPolarHBondContact O-CG2 3.38Å; V220-V224 PolarHBondContact O-N 3.12Å; D221-V224 PolarHBondContact O-N 3.45Å; V224-K226 PolarHBondContact O-N 3.26Å; V224-F228 PolarHBondContact O-N 3.09Å; V224-F228 VanDerWaalsContact O-N 3.1Å; V224-R233 HydrophobicContact CG1-CG 3.78Å; V224-L236 HydrophobicContact CG1-CB 3.92Å; V224-L236 HydrophobicContact CG2-CB 4.15Å; V224-R237 HydrophobicContact CG1-CB 4.34Å |
| 225 | E | 95.8 | Very high | 96.3 | Very high | 76 Ų | 76 | 55.5 Ų | 55.5 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 179 | -76.6 | -59.2 | 146.1 | 0 | 0 | 113.6 | D221 L223 R233 | D221-E225 WeakPolarHBondContact O-CB 3.24Å; D221-E225 WeakPolarHBondContact O-CG 3.41Å; D221-E225 PolarHBondContact O-N 3.32Å; L223-E225 PolarHBondContact O-N 3.41Å; E225-R233 WeakPolarHBondContact OE2-CD 3.39Å; E225-R233 IonicContact OE2-CZ 2.82Å; E225-R233 IonicContact OE2-NE 3.56Å; E225-R233 IonicContact OE2-NH1 3.4Å; E225-R233 PolarHBondContact OE2-NH1 3.31Å |
| 226 | K | 95.4 | Very high | 96.4 | Very high | 141 Ų | 141 | 49.9 Ų | 49.9 | 61% | 0.613 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -77.9 | -29.5 | -177.3 | -177.2 | 179.1 | 175.6 | -174.5 | 0 | 113.2 | Q222 L223 V224 | Q222-K226 WeakPolarHBondContact O-CB 3.28Å; Q222-K226 PolarHBondContact O-N 2.97Å; L223-K226 PolarHBondContact O-N 2.96Å; V224-K226 PolarHBondContact O-N 3.26Å |
| 227 | R | 96.3 | Very high | 96.4 | Very high | 68 Ų | 68 | 51.3 Ų | 51.3 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -110 | -21.4 | -164.3 | -56.1 | -61.4 | -67.6 | 152.7 | -4.9 | 114 | L183 G185 A188 L223 | L183-R227 HydrophobicContact CD2-CB 4.1Å; L183-R227 HydrophobicContact CD2-CG 4.04Å; L183-R227 PolarHBondContact O-NH2 3.39Å; G185-R227 PolarHBondContact O-NH2 3.46Å; A188-R227 HydrophobicContact CB-CB 3.93Å; L223-R227 WeakPolarHBondContact O-CB 3.49Å; L223-R227 WeakPolarHBondContact O-CG 3.44Å; L223-R227 PolarHBondContact O-N 2.92Å |
| 228 | F | 96.5 | Very high | 96.4 | Very high | 18 Ų | 18 | 48.1 Ų | 48.1 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | trans | -120.1 | 167.3 | 177.8 | -55.8 | -74.4 | 0 | 0 | 0 | 111.3 | L183 A188 W193 V224 F232 R233 L236 | L183-F228 HydrophobicContact CD2-CE2 4.42Å; L183-F228 HydrophobicContact CD2-CZ 4.43Å; A188-F228 HydrophobicContact CB-CD1 4.24Å; A188-F228 HydrophobicContact CB-CE1 3.53Å; A188-F228 HydrophobicContact CB-CE2 4.41Å; A188-F228 HydrophobicContact CB-CZ 3.63Å; W193-F228 AromaticContact CD1-CZ 3.62Å; W193-F228 HydrophobicContact CD2-CE2 4.03Å; W193-F228 HydrophobicContact CD2-CZ 4.07Å; W193-F228 AromaticContact CE2-CE2 3.83Å; W193-F228 AromaticContact CE2-CZ 3.87Å; W193-F228 HydrophobicContact CG-CE2 4.37Å; W193-F228 AromaticContact CG-CZ 3.95Å; W193-F228 HydrophobicContact CG-CZ 3.95Å; W193-F228 HydrophobicContact CZ2-CE2 4.21Å; W193-F228 AromaticContact NE1-CZ 3.57Å; V224-F228 PolarHBondContact O-N 3.09Å; V224-F228 VanDerWaalsContact O-N 3.1Å; F228-F232 HydrophobicContact CB-CD1 4.33Å; F228-F232 AromaticContact CD1-CD1 3.73Å; F228-F232 HydrophobicContact CD1-CD1 3.73Å; F228-F232 AromaticContact CD1-CE1 3.49Å; F228-F232 HydrophobicContact CD1-CE1 3.49Å; F228-F232 VanDerWaalsContact CD1-CE1 3.49Å; F228-F232 HydrophobicContact CE1-CD1 4.39Å; F228-F232 AromaticContact CE1-CE1 3.7Å; F228-F232 HydrophobicContact CE1-CE1 3.7Å; F228-F232 HydrophobicContact CG-CD1 4.2Å; F228-F232 HydrophobicContact CG-CE1 4.15Å; F228-R233 HydrophobicContact CB-CB 3.9Å; F228-R233 HydrophobicContact CB-CG 4.4Å; F228-R233 WeakPolarHBondContact O-CD 3.3Å; F228-L236 HydrophobicContact CD1-CD1 4.27Å; F228-L236 HydrophobicContact CD2-CD1 3.48Å; F228-L236 VanDerWaalsContact CD2-CD1 3.48Å; F228-L236 HydrophobicContact CE1-CD1 4.37Å; F228-L236 HydrophobicContact CE2-CD1 3.61Å; F228-L236 HydrophobicContact CG-CD1 3.83Å; F228-L236 HydrophobicContact CZ-CD1 4.06Å | ||
| 229 | S | 95.9 | Very high | 96.3 | Very high | 90 Ų | 90 | 45.8 Ų | 45.8 | 63% | 0.629 | 23% | 0.233 | S | C | * | . | trans | -146.8 | 165.8 | -179.8 | 60.2 | 0 | 0 | 0 | 0 | 112 | R233 | S229-R233 PolarHBondContact O-N 2.92Š| ||
| 230 | G | 96.1 | Very high | 96.1 | Very high | 44 Ų | 44 | 43.5 Ų | 43.5 | 45% | 0.454 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | 60.8 | -151.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | F232 R233 L234 | G230-F232 PolarHBondContact O-N 3.31Å; G230-R233 WeakPolarHBondContact O-CB 3.2Å; G230-R233 PolarHBondContact O-N 3.47Å; G230-R233 VanDerWaalsContact O-N 3.11Å; G230-L234 PolarHBondContact O-N 3.31Å; G230-L234 VanDerWaalsContact O-N 3.17Å |
| 231 | D | 96.6 | Very high | 95.9 | Very high | 69 Ų | 69 | 45.6 Ų | 45.6 | 37% | 0.369 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.6 | -26.9 | -173.2 | -48 | -29.2 | 0 | 0 | 0 | 112.4 | F155 L234 G235 | F155-D231 HydrophobicContact CB-CB 3.98Å; F155-D231 HydrophobicContact CD1-CB 3.67Å; F155-D231 HydrophobicContact CD2-CB 3.91Å; F155-D231 WeakPolarHBondContact CD2-O 3.38Å; F155-D231 HydrophobicContact CE1-CB 4.11Å; F155-D231 HydrophobicContact CE2-CB 4.32Å; F155-D231 HydrophobicContact CG-CB 3.57Å; F155-D231 HydrophobicContact CZ-CB 4.43Å; D231-L234 WeakPolarHBondContact O-CB 3.48Å; D231-L234 PolarHBondContact O-N 2.85Å; D231-G235 PolarHBondContact O-N 3.16Å |
| 232 | F | 97.8 | Very high | 95.8 | Very high | 17 Ų | 17 | 42.5 Ų | 42.5 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.9 | -40.8 | 174.4 | -175.1 | -117.4 | 0 | 0 | 0 | 111.7 | D154 F155 L158 A190 I194 F228 G230 G235 L236 | D154-F232 HydrophobicContact CB-CB 4.26Å; D154-F232 HydrophobicContact CB-CD1 4.07Å; D154-F232 HydrophobicContact CB-CD2 3.69Å; D154-F232 HydrophobicContact CB-CE1 4.37Å; D154-F232 HydrophobicContact CB-CE2 4.04Å; D154-F232 HydrophobicContact CB-CG 3.72Å; D154-F232 HydrophobicContact CB-CZ 4.37Å; D154-F232 WeakPolarHBondContact O-CD2 3.41Å; F155-F232 HydrophobicContact CB-CB 4.37Å; L158-F232 HydrophobicContact CB-CD2 4.25Å; L158-F232 HydrophobicContact CB-CE2 4.07Å; L158-F232 HydrophobicContact CD2-CD2 4.2Å; L158-F232 HydrophobicContact CD2-CE2 4.15Å; A190-F232 HydrophobicContact CB-CD1 4.28Å; A190-F232 HydrophobicContact CB-CE1 3.43Å; A190-F232 VanDerWaalsContact CB-CE1 3.43Å; A190-F232 HydrophobicContact CB-CE2 4.23Å; A190-F232 HydrophobicContact CB-CZ 3.42Å; A190-F232 VanDerWaalsContact CB-CZ 3.42Å; I194-F232 HydrophobicContact CD1-CE2 3.78Å; I194-F232 HydrophobicContact CD1-CZ 4.12Å; I194-F232 HydrophobicContact CG1-CE2 3.64Å; I194-F232 HydrophobicContact CG1-CZ 3.91Å; F228-F232 HydrophobicContact CB-CD1 4.33Å; F228-F232 AromaticContact CD1-CD1 3.73Å; F228-F232 HydrophobicContact CD1-CD1 3.73Å; F228-F232 AromaticContact CD1-CE1 3.49Å; F228-F232 HydrophobicContact CD1-CE1 3.49Å; F228-F232 VanDerWaalsContact CD1-CE1 3.49Å; F228-F232 HydrophobicContact CE1-CD1 4.39Å; F228-F232 AromaticContact CE1-CE1 3.7Å; F228-F232 HydrophobicContact CE1-CE1 3.7Å; F228-F232 HydrophobicContact CG-CD1 4.2Å; F228-F232 HydrophobicContact CG-CE1 4.15Å; G230-F232 PolarHBondContact O-N 3.31Å; F232-G235 PolarHBondContact O-N 3.36Å; F232-L236 HydrophobicContact CD1-CD1 4.27Å; F232-L236 HydrophobicContact CE1-CD1 3.65Å; F232-L236 HydrophobicContact CE1-CG 4.19Å; F232-L236 HydrophobicContact CE2-CD2 4.23Å; F232-L236 HydrophobicContact CE2-CG 4.21Å; F232-L236 HydrophobicContact CZ-CD1 3.79Å; F232-L236 HydrophobicContact CZ-CD2 4.01Å; F232-L236 HydrophobicContact CZ-CG 3.95Å; F232-L236 WeakPolarHBondContact O-CG 3.29Å; F232-L236 PolarHBondContact O-N 3.33Å |
| 233 | R | 97.8 | Very high | 95.4 | Very high | 81 Ų | 81 | 39.3 Ų | 39.3 | 31% | 0.306 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 172.4 | 178.1 | 179.9 | 56.8 | -169.5 | 10.2 | 111.2 | V224 E225 F228 S229 G230 G235 L236 R237 | V224-R233 HydrophobicContact CG1-CG 3.78Å; E225-R233 WeakPolarHBondContact OE2-CD 3.39Å; E225-R233 IonicContact OE2-CZ 2.82Å; E225-R233 IonicContact OE2-NE 3.56Å; E225-R233 IonicContact OE2-NH1 3.4Å; E225-R233 PolarHBondContact OE2-NH1 3.31Å; F228-R233 HydrophobicContact CB-CB 3.9Å; F228-R233 HydrophobicContact CB-CG 4.4Å; F228-R233 WeakPolarHBondContact O-CD 3.3Å; S229-R233 PolarHBondContact O-N 2.92Å; G230-R233 WeakPolarHBondContact O-CB 3.2Å; G230-R233 PolarHBondContact O-N 3.47Å; G230-R233 VanDerWaalsContact O-N 3.11Å; R233-G235 VanDerWaalsContact C-N 3.29Å; R233-G235 PolarHBondContact O-N 3.04Å; R233-L236 PolarHBondContact O-N 2.92Å; R233-R237 WeakPolarHBondContact O-CB 3.45Å; R233-R237 PolarHBondContact O-N 3.03Å |
| 234 | L | 96.9 | Very high | 95.1 | Very high | 32 Ų | 32 | 42.7 Ų | 42.7 | 17% | 0.168 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56 | -47.3 | 175.8 | 175.2 | 60.9 | 0 | 0 | 0 | 110.8 | E113 E114 L117 G230 D231 L236 R237 V238 | E113-L234 HydrophobicContact CB-CD2 4.02Å; E114-L234 HydrophobicContact CG-CD1 4.12Å; E114-L234 HydrophobicContact CG-CD2 4Å; E114-L234 HydrophobicContact CG-CG 4.47Å; L117-L234 HydrophobicContact CD1-CG 4.1Å; G230-L234 PolarHBondContact O-N 3.31Å; G230-L234 VanDerWaalsContact O-N 3.17Å; D231-L234 WeakPolarHBondContact O-CB 3.48Å; D231-L234 PolarHBondContact O-N 2.85Å; L234-L236 PolarHBondContact O-N 3.41Å; L234-R237 PolarHBondContact O-N 3.04Å; L234-V238 HydrophobicContact CD1-CG2 4.03Å; L234-V238 WeakPolarHBondContact O-CG2 3.43Å; L234-V238 PolarHBondContact O-N 3.27Å |
| 235 | G | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58 | -47.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D231 F232 R233 L239 | D231-G235 PolarHBondContact O-N 3.16Å; F232-G235 PolarHBondContact O-N 3.36Å; R233-G235 VanDerWaalsContact C-N 3.29Å; R233-G235 PolarHBondContact O-N 3.04Å; G235-L239 VanDerWaalsContact O-CB 3.29Å; G235-L239 WeakPolarHBondContact O-CB 3.34Å; G235-L239 PolarHBondContact O-N 3.16Å |
| 236 | L | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -43.4 | 176.4 | -69.1 | -177.7 | 0 | 0 | 0 | 112 | W193 L197 V224 F228 F232 R233 L234 L239 V240 | W193-L236 HydrophobicContact CB-CD1 4.39Å; W193-L236 HydrophobicContact CB-CD2 4.03Å; W193-L236 HydrophobicContact CD2-CD1 4.3Å; W193-L236 HydrophobicContact CE3-CD1 4.08Å; W193-L236 HydrophobicContact CE3-CD2 4.28Å; W193-L236 HydrophobicContact CG-CD1 4.43Å; L197-L236 HydrophobicContact CD1-CD2 3.87Å; V224-L236 HydrophobicContact CG1-CB 3.92Å; V224-L236 HydrophobicContact CG2-CB 4.15Å; F228-L236 HydrophobicContact CD1-CD1 4.27Å; F228-L236 HydrophobicContact CD2-CD1 3.48Å; F228-L236 VanDerWaalsContact CD2-CD1 3.48Å; F228-L236 HydrophobicContact CE1-CD1 4.37Å; F228-L236 HydrophobicContact CE2-CD1 3.61Å; F228-L236 HydrophobicContact CG-CD1 3.83Å; F228-L236 HydrophobicContact CZ-CD1 4.06Å; F232-L236 HydrophobicContact CD1-CD1 4.27Å; F232-L236 HydrophobicContact CE1-CD1 3.65Å; F232-L236 HydrophobicContact CE1-CG 4.19Å; F232-L236 HydrophobicContact CE2-CD2 4.23Å; F232-L236 HydrophobicContact CE2-CG 4.21Å; F232-L236 HydrophobicContact CZ-CD1 3.79Å; F232-L236 HydrophobicContact CZ-CD2 4.01Å; F232-L236 HydrophobicContact CZ-CG 3.95Å; F232-L236 WeakPolarHBondContact O-CG 3.29Å; F232-L236 PolarHBondContact O-N 3.33Å; R233-L236 PolarHBondContact O-N 2.92Å; L234-L236 PolarHBondContact O-N 3.41Å; L236-L239 PolarHBondContact O-N 3.24Å; L236-V240 WeakPolarHBondContact O-CB 3.47Å; L236-V240 VanDerWaalsContact O-CG2 3.27Å; L236-V240 WeakPolarHBondContact O-CG2 3.35Å; L236-V240 PolarHBondContact O-N 2.84Å |
| 237 | R | 96.3 | Very high | 94.7 | Very high | 76 Ų | 76 | 39.4 Ų | 39.4 | 29% | 0.287 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.5 | -48.6 | 178.4 | -173.8 | -174 | 66.3 | 145.4 | 4.1 | 111.4 | E114 V224 R233 L234 V240 Q241 | E114-R237 IonicContact OE1-NH2 3.51Å; V224-R237 HydrophobicContact CG1-CB 4.34Å; R233-R237 WeakPolarHBondContact O-CB 3.45Å; R233-R237 PolarHBondContact O-N 3.03Å; L234-R237 PolarHBondContact O-N 3.04Å; R237-V240 PolarHBondContact O-N 3.37Å; R237-Q241 WeakPolarHBondContact O-CG 3.13Å; R237-Q241 PolarHBondContact O-N 2.94Å |
| 238 | V | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 178.1 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | L117 L234 V240 Q241 C242 Y249 | L117-V238 HydrophobicContact CB-CB 4.24Å; L117-V238 HydrophobicContact CB-CG1 3.75Å; L117-V238 HydrophobicContact CD1-CB 4.18Å; L117-V238 HydrophobicContact CD1-CG2 4.11Å; L234-V238 HydrophobicContact CD1-CG2 4.03Å; L234-V238 WeakPolarHBondContact O-CG2 3.43Å; L234-V238 PolarHBondContact O-N 3.27Å; V238-V240 PolarHBondContact O-N 3.37Å; V238-Q241 PolarHBondContact O-N 3.3Å; V238-C242 WeakPolarHBondContact O-CB 3.48Å; V238-C242 PolarHBondContact O-N 3.45Å; V238-C242 PolarHBondContact O-SG 3.47Å; V238-Y249 HydrophobicContact CB-CE2 4.37Å; V238-Y249 HydrophobicContact CG1-CE1 3.99Å; V238-Y249 HydrophobicContact CG1-CE2 3.81Å; V238-Y249 HydrophobicContact CG2-CE2 3.89Å |
| 239 | L | 94 | Very high | 94.6 | Very high | 8 Ų | 8 | 37.3 Ų | 37.3 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 179.5 | -179.3 | 53.9 | 0 | 0 | 0 | 111.9 | C121 L158 L162 L197 T198 G235 L236 C242 I243 | C121-L239 HydrophobicContact CB-CD1 4.41Å; L158-L239 HydrophobicContact CD1-CD2 4.08Å; L162-L239 HydrophobicContact CD2-CD1 3.85Å; L162-L239 HydrophobicContact CD2-CD2 4.08Å; L197-L239 HydrophobicContact CB-CD2 3.48Å; L197-L239 VanDerWaalsContact CB-CD2 3.48Å; L197-L239 HydrophobicContact CB-CG 4.21Å; L197-L239 HydrophobicContact CD1-CD2 4.28Å; T198-L239 HydrophobicContact CG2-CD2 4.16Å; G235-L239 VanDerWaalsContact O-CB 3.29Å; G235-L239 WeakPolarHBondContact O-CB 3.34Å; G235-L239 PolarHBondContact O-N 3.16Å; L236-L239 PolarHBondContact O-N 3.24Å; L239-C242 PolarHBondContact O-N 3.03Å; L239-I243 HydrophobicContact CD1-CD1 4.04Å; L239-I243 HydrophobicContact CD1-CG1 4.31Å; L239-I243 HydrophobicContact CG-CD1 3.97Å; L239-I243 WeakPolarHBondContact O-CD1 3.24Å; L239-I243 VanDerWaalsContact O-CG1 3.23Å; L239-I243 WeakPolarHBondContact O-CG1 3.46Å; L239-I243 PolarHBondContact O-N 3.27Å |
| 240 | V | 93.4 | Very high | 94.7 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 6% | 0.055 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.1 | -45 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | L209 V220 L236 R237 V238 C242 I243 Q244 | L209-V240 HydrophobicContact CD1-CG1 4.24Å; L209-V240 HydrophobicContact CD1-CG2 4.4Å; V220-V240 HydrophobicContact CB-CG1 4.47Å; V220-V240 HydrophobicContact CG1-CG1 3.98Å; V220-V240 HydrophobicContact CG1-CG2 3.79Å; L236-V240 WeakPolarHBondContact O-CB 3.47Å; L236-V240 VanDerWaalsContact O-CG2 3.27Å; L236-V240 WeakPolarHBondContact O-CG2 3.35Å; L236-V240 PolarHBondContact O-N 2.84Å; R237-V240 PolarHBondContact O-N 3.37Å; V238-V240 PolarHBondContact O-N 3.37Å; V240-C242 PolarHBondContact O-N 3.3Å; V240-I243 PolarHBondContact O-N 2.95Å; V240-Q244 WeakPolarHBondContact O-CG 3.38Å; V240-Q244 PolarHBondContact O-N 3.44Å |
| 241 | Q | 92.4 | Very high | 94.8 | Very high | 45 Ų | 45 | 31.1 Ų | 31.1 | 21% | 0.21 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | 176.5 | -73 | 178.7 | -6.9 | 0 | 0 | 112.4 | R237 V238 I243 Q244 N245 | R237-Q241 WeakPolarHBondContact O-CG 3.13Å; R237-Q241 PolarHBondContact O-N 2.94Å; V238-Q241 PolarHBondContact O-N 3.3Å; Q241-I243 VanDerWaalsContact C-N 3.33Å; Q241-I243 PolarHBondContact O-N 3.12Å; Q241-Q244 PolarHBondContact O-N 3.41Å; Q241-N245 CarbonylContact O-C 3.59Å; Q241-N245 WeakPolarHBondContact O-CA 3.35Å; Q241-N245 PolarHBondContact O-N 2.9Å |
| 242 | C | 90.9 | Very high | 94.8 | Very high | 17 Ų | 17 | 31.6 Ų | 31.6 | 12% | 0.115 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.6 | -32.6 | 176.4 | -75.2 | 0 | 0 | 0 | 0 | 112.9 | C121 V238 L239 V240 P246 Y249 | C121-C242 HydrophobicContact CB-CB 3.72Å; V238-C242 WeakPolarHBondContact O-CB 3.48Å; V238-C242 PolarHBondContact O-N 3.45Å; V238-C242 PolarHBondContact O-SG 3.47Å; L239-C242 PolarHBondContact O-N 3.03Å; V240-C242 PolarHBondContact O-N 3.3Å; C242-P246 WeakPolarHBondContact O-CD 3.46Å; C242-Y249 VanDerWaalsContact SG-CD1 3.51Å |
| 243 | I | 88.7 | Confident | 94.8 | Very high | 28 Ų | 28 | 31.4 Ų | 31.4 | 14% | 0.144 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.3 | -50.8 | 174.2 | -70.4 | 158.8 | 0 | 0 | 0 | 109.7 | L197 L205 L209 L239 V240 Q241 | L197-I243 HydrophobicContact CD2-CD1 4.14Å; L205-I243 HydrophobicContact CB-CD1 4.44Å; L205-I243 HydrophobicContact CB-CG2 3.99Å; L205-I243 HydrophobicContact CD1-CD1 3.63Å; L205-I243 HydrophobicContact CD1-CG1 4.15Å; L209-I243 HydrophobicContact CD1-CG2 4.46Å; L239-I243 HydrophobicContact CD1-CD1 4.04Å; L239-I243 HydrophobicContact CD1-CG1 4.31Å; L239-I243 HydrophobicContact CG-CD1 3.97Å; L239-I243 WeakPolarHBondContact O-CD1 3.24Å; L239-I243 VanDerWaalsContact O-CG1 3.23Å; L239-I243 WeakPolarHBondContact O-CG1 3.46Å; L239-I243 PolarHBondContact O-N 3.27Å; V240-I243 PolarHBondContact O-N 2.95Å; Q241-I243 VanDerWaalsContact C-N 3.33Å; Q241-I243 PolarHBondContact O-N 3.12Å |
| 244 | Q | 89.3 | Confident | 94.8 | Very high | 76 Ų | 76 | 27.5 Ų | 27.5 | 36% | 0.355 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -82.6 | -40.4 | -169.9 | -65 | 178.3 | -35.5 | 0 | 0 | 113.5 | L209 V240 Q241 | L209-Q244 HydrophobicContact CD1-CG 4.5Å; V240-Q244 WeakPolarHBondContact O-CG 3.38Å; V240-Q244 PolarHBondContact O-N 3.44Å; Q241-Q244 PolarHBondContact O-N 3.41Å |
| 245 | N | 91.3 | Very high | 94.8 | Very high | 81 Ų | 81 | 29.9 Ų | 29.9 | 43% | 0.433 | 15% | 0.15 | S | C | . | . | trans | -152 | 65.6 | -169.4 | -63.5 | -82.6 | 0 | 0 | 0 | 112.1 | Q241 E247 V248 Y249 | Q241-N245 CarbonylContact O-C 3.59Å; Q241-N245 WeakPolarHBondContact O-CA 3.35Å; Q241-N245 PolarHBondContact O-N 2.9Å; N245-E247 VanDerWaalsContact C-N 3.32Å; N245-E247 PolarHBondContact O-N 3.42Å; N245-V248 HydrophobicContact CB-CB 3.93Å; N245-V248 HydrophobicContact CB-CG2 3.9Å; N245-V248 PolarHBondContact O-N 2.87Å; N245-V248 VanDerWaalsContact O-N 3.08Å; N245-Y249 PolarHBondContact O-N 3.39Å | ||
| 246 | P | 92.7 | Very high | 94.8 | Very high | 44 Ų | 44 | 33.8 Ų | 33.8 | 29% | 0.286 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58.7 | -38.5 | -174.2 | 22.2 | -32.3 | 0 | 0 | 0 | 113.6 | C242 V248 Y249 L250 | C242-P246 WeakPolarHBondContact O-CD 3.46Å; P246-V248 VanDerWaalsContact C-N 3.3Å; P246-V248 PolarHBondContact O-N 2.89Å; P246-Y249 PolarHBondContact O-N 2.89Å; P246-L250 WeakPolarHBondContact O-CG 3.38Å; P246-L250 PolarHBondContact O-N 3.04Å |
| 247 | E | 95.2 | Very high | 94.8 | Very high | 25 Ų | 25 | 34.6 Ų | 34.6 | 12% | 0.117 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.1 | -30.7 | 178.8 | 66.7 | -88.8 | -141.4 | 0 | 0 | 113.1 | N245 A251 R276 I277 A280 | N245-E247 VanDerWaalsContact C-N 3.32Å; N245-E247 PolarHBondContact O-N 3.42Å; E247-A251 WeakPolarHBondContact O-CB 3.43Å; E247-A251 PolarHBondContact O-N 2.99Å; E247-R276 HydrophobicContact CB-CB 3.92Å; E247-R276 HydrophobicContact CG-CB 4.27Å; E247-R276 IonicContact OE1-CZ 3.32Å; E247-R276 IonicContact OE1-NE 3.06Å; E247-R276 PolarHBondContact OE1-NE 3.27Å; E247-R276 IonicContact OE1-NH2 3.6Å; E247-R276 PolarHBondContact OE1-NH2 3.42Å; E247-R276 IonicContact OE2-CZ 3.14Å; E247-R276 IonicContact OE2-NE 3.4Å; E247-R276 IonicContact OE2-NH2 2.67Å; E247-R276 PolarHBondContact OE2-NH2 3.42Å; E247-R276 VanDerWaalsContact OE2-NH2 3.09Å; E247-I277 HydrophobicContact CB-CG1 4.31Å; E247-A280 HydrophobicContact CB-CB 4.24Å; E247-A280 HydrophobicContact CG-CB 3.9Å |
| 248 | V | 96.3 | Very high | 94.8 | Very high | 35 Ų | 35 | 35.6 Ų | 35.6 | 21% | 0.212 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.7 | -42.6 | 177.9 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | N245 P246 A251 Q252 A280 L284 | N245-V248 HydrophobicContact CB-CB 3.93Å; N245-V248 HydrophobicContact CB-CG2 3.9Å; N245-V248 PolarHBondContact O-N 2.87Å; N245-V248 VanDerWaalsContact O-N 3.08Å; P246-V248 VanDerWaalsContact C-N 3.3Å; P246-V248 PolarHBondContact O-N 2.89Å; V248-A251 PolarHBondContact O-N 3.18Å; V248-Q252 VanDerWaalsContact O-CG 3.3Å; V248-Q252 WeakPolarHBondContact O-CG 3.07Å; V248-Q252 PolarHBondContact O-N 2.62Å; V248-A280 HydrophobicContact CG2-CB 4.24Å; V248-L284 HydrophobicContact CG1-CD1 4.03Å; V248-L284 HydrophobicContact CG1-CD2 4.27Å |
| 249 | Y | 95.9 | Very high | 94.8 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.9 | -50.5 | 174.1 | 170.9 | -109.5 | 0 | 0 | 0 | 111.8 | E114 E118 V238 C242 N245 P246 A251 Q252 R253 | E114-Y249 PolarHBondContact O-OH 3.1Å; E118-Y249 HydrophobicContact CB-CE1 3.89Å; E118-Y249 HydrophobicContact CG-CE1 3.89Å; V238-Y249 HydrophobicContact CB-CE2 4.37Å; V238-Y249 HydrophobicContact CG1-CE1 3.99Å; V238-Y249 HydrophobicContact CG1-CE2 3.81Å; V238-Y249 HydrophobicContact CG2-CE2 3.89Å; C242-Y249 VanDerWaalsContact SG-CD1 3.51Å; N245-Y249 PolarHBondContact O-N 3.39Å; P246-Y249 PolarHBondContact O-N 2.89Å; Y249-A251 VanDerWaalsContact C-N 3.31Å; Y249-A251 PolarHBondContact O-N 2.9Å; Y249-Q252 WeakPolarHBondContact O-CB 3.16Å; Y249-Q252 PolarHBondContact O-N 3.3Å; Y249-R253 HydrophobicContact CD2-CG 4.33Å; Y249-R253 HydrophobicContact CE1-CG 4.16Å; Y249-R253 HydrophobicContact CE2-CG 3.88Å; Y249-R253 VanDerWaalsContact O-CG 3.29Å; Y249-R253 WeakPolarHBondContact O-CG 3.34Å; Y249-R253 PolarHBondContact O-N 2.83Å |
| 250 | L | 97.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.5 | -38.9 | 178.3 | -68.2 | 168.3 | 0 | 0 | 0 | 112 | E118 P246 R253 L254 I265 H269 I277 | E118-L250 HydrophobicContact CG-CD2 3.69Å; P246-L250 WeakPolarHBondContact O-CG 3.38Å; P246-L250 PolarHBondContact O-N 3.04Å; L250-R253 WeakPolarHBondContact O-CB 3.17Å; L250-R253 PolarHBondContact O-N 2.9Å; L250-L254 WeakPolarHBondContact O-CG 3.35Å; L250-L254 PolarHBondContact O-N 3.17Å; L250-I265 HydrophobicContact CD2-CD1 4.28Å; L250-I265 HydrophobicContact CD2-CG1 4.44Å; L250-I265 HydrophobicContact CD2-CG2 4.39Å; L250-H269 WeakPolarHBondContact CD1-CE1 3.4Å; L250-I277 HydrophobicContact CB-CD1 4.01Å; L250-I277 HydrophobicContact CB-CG1 4.13Å; L250-I277 HydrophobicContact CB-CG2 4.07Å; L250-I277 HydrophobicContact CD1-CD1 3.54Å; L250-I277 HydrophobicContact CD1-CG1 4.05Å; L250-I277 HydrophobicContact CG-CD1 4.39Å |
| 251 | A | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E247 V248 Y249 R253 L254 L255 I277 A280 F281 L284 | E247-A251 WeakPolarHBondContact O-CB 3.43Å; E247-A251 PolarHBondContact O-N 2.99Å; V248-A251 PolarHBondContact O-N 3.18Å; Y249-A251 VanDerWaalsContact C-N 3.31Å; Y249-A251 PolarHBondContact O-N 2.9Å; A251-R253 VanDerWaalsContact C-N 3.33Å; A251-R253 PolarHBondContact O-N 2.97Å; A251-L254 PolarHBondContact O-N 3.49Å; A251-L255 PolarHBondContact O-N 3.25Å; A251-I277 HydrophobicContact CB-CG2 4.35Å; A251-A280 HydrophobicContact CB-CB 3.87Å; A251-F281 HydrophobicContact CB-CB 3.91Å; A251-F281 HydrophobicContact CB-CD2 4.42Å; A251-F281 WeakPolarHBondContact O-CD2 3.34Å; A251-L284 HydrophobicContact CB-CD1 3.77Å |
| 252 | Q | 96.9 | Very high | 95.3 | Very high | 79 Ų | 79 | 38 Ų | 38 | 37% | 0.369 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.5 | -42.8 | 174 | -73.2 | 171.3 | -5.8 | 0 | 0 | 111.6 | V248 Y249 L254 L255 L284 | V248-Q252 VanDerWaalsContact O-CG 3.3Å; V248-Q252 WeakPolarHBondContact O-CG 3.07Å; V248-Q252 PolarHBondContact O-N 2.62Å; Y249-Q252 WeakPolarHBondContact O-CB 3.16Å; Y249-Q252 PolarHBondContact O-N 3.3Å; Q252-L254 VanDerWaalsContact C-N 3.32Å; Q252-L254 PolarHBondContact O-N 2.94Å; Q252-L255 VanDerWaalsContact O-CB 3.31Å; Q252-L255 WeakPolarHBondContact O-CB 3.38Å; Q252-L255 PolarHBondContact O-N 3.45Å; Q252-L255 VanDerWaalsContact O-N 3.14Å; Q252-L284 HydrophobicContact CG-CD1 3.69Å |
| 253 | R | 97.1 | Very high | 95.6 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 5% | 0.045 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 176.6 | -68.4 | -82.6 | -67.4 | 163 | -0.2 | 111.5 | E114 T115 E118 Y249 L250 A251 L255 T256 L261 I265 | E114-R253 IonicContact OE2-CZ 3.65Å; E114-R253 IonicContact OE2-NH1 3.68Å; E114-R253 PolarHBondContact OE2-NH1 2.96Å; T115-R253 PolarHBondContact OG1-NH2 3.3Å; E118-R253 IonicContact OE2-CZ 3.36Å; E118-R253 IonicContact OE2-NE 3.46Å; E118-R253 PolarHBondContact OE2-NE 2.94Å; E118-R253 VanDerWaalsContact OE2-NE 3.16Å; E118-R253 IonicContact OE2-NH2 3.46Å; E118-R253 PolarHBondContact OE2-NH2 3.45Å; Y249-R253 HydrophobicContact CD2-CG 4.33Å; Y249-R253 HydrophobicContact CE1-CG 4.16Å; Y249-R253 HydrophobicContact CE2-CG 3.88Å; Y249-R253 VanDerWaalsContact O-CG 3.29Å; Y249-R253 WeakPolarHBondContact O-CG 3.34Å; Y249-R253 PolarHBondContact O-N 2.83Å; L250-R253 WeakPolarHBondContact O-CB 3.17Å; L250-R253 PolarHBondContact O-N 2.9Å; A251-R253 VanDerWaalsContact C-N 3.33Å; A251-R253 PolarHBondContact O-N 2.97Å; R253-L255 VanDerWaalsContact C-N 3.25Å; R253-L255 PolarHBondContact O-N 3.04Å; R253-T256 WeakPolarHBondContact O-CB 3.2Å; R253-T256 WeakPolarHBondContact O-CG2 3.49Å; R253-T256 PolarHBondContact O-N 3.35Å; R253-T256 PolarHBondContact O-OG1 3.43Å; R253-L261 HydrophobicContact CB-CD2 4.27Å; R253-L261 VanDerWaalsContact CZ-CD1 3.41Å; R253-L261 VanDerWaalsContact O-CD2 3.25Å; R253-L261 WeakPolarHBondContact O-CD2 3.37Å; R253-I265 HydrophobicContact CB-CD1 3.75Å |
| 254 | L | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.3 | -27.3 | 177.1 | -72.5 | 175 | 0 | 0 | 0 | 113.3 | L250 A251 Q252 T256 M257 L261 V262 I265 M266 I277 F281 L289 | L250-L254 WeakPolarHBondContact O-CG 3.35Å; L250-L254 PolarHBondContact O-N 3.17Å; A251-L254 PolarHBondContact O-N 3.49Å; Q252-L254 VanDerWaalsContact C-N 3.32Å; Q252-L254 PolarHBondContact O-N 2.94Å; L254-T256 PolarHBondContact O-N 3.02Å; L254-T256 VanDerWaalsContact O-N 3.08Å; L254-M257 WeakPolarHBondContact O-CE 3.41Å; L254-M257 PolarHBondContact O-N 3.03Å; L254-L261 HydrophobicContact CD2-CD2 4.38Å; L254-V262 HydrophobicContact CD2-CB 4.27Å; L254-V262 HydrophobicContact CD2-CG1 4.32Å; L254-V262 HydrophobicContact CD2-CG2 4.03Å; L254-I265 HydrophobicContact CD1-CG2 4.2Å; L254-I265 HydrophobicContact CD2-CB 3.98Å; L254-I265 HydrophobicContact CD2-CD1 4.11Å; L254-I265 HydrophobicContact CD2-CG2 3.97Å; L254-I265 HydrophobicContact CG-CD1 4.23Å; L254-I265 HydrophobicContact CG-CG2 4.12Å; L254-M266 HydrophobicContact CD2-CG 4.47Å; L254-I277 HydrophobicContact CD1-CG2 3.64Å; L254-F281 HydrophobicContact CB-CD2 3.86Å; L254-F281 HydrophobicContact CB-CE2 3.81Å; L254-L289 HydrophobicContact CD1-CD1 4.23Å; L254-L289 HydrophobicContact CD1-CD2 3.96Å |
| 255 | L | 97.2 | Very high | 96.5 | Very high | 82 Ų | 82 | 32.2 Ų | 32.2 | 43% | 0.429 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -24.1 | 178.5 | -63.9 | 171.2 | 0 | 0 | 0 | 113.3 | A251 Q252 R253 M257 F281 | A251-L255 PolarHBondContact O-N 3.25Å; Q252-L255 VanDerWaalsContact O-CB 3.31Å; Q252-L255 WeakPolarHBondContact O-CB 3.38Å; Q252-L255 PolarHBondContact O-N 3.45Å; Q252-L255 VanDerWaalsContact O-N 3.14Å; R253-L255 VanDerWaalsContact C-N 3.25Å; R253-L255 PolarHBondContact O-N 3.04Å; L255-M257 PolarHBondContact O-N 2.91Å; L255-F281 HydrophobicContact CD2-CD2 4.21Å; L255-F281 HydrophobicContact CD2-CE1 4.46Å; L255-F281 HydrophobicContact CD2-CE2 3.53Å; L255-F281 HydrophobicContact CD2-CZ 3.67Å; L255-F281 HydrophobicContact CG-CE2 4.09Å |
| 256 | T | 96.3 | Very high | 96.8 | Very high | 82 Ų | 82 | 28.4 Ų | 28.4 | 50% | 0.503 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -25.7 | 176.7 | 65.1 | 0 | 0 | 0 | 0 | 112.7 | R253 L254 K258 | R253-T256 WeakPolarHBondContact O-CB 3.2Å; R253-T256 WeakPolarHBondContact O-CG2 3.49Å; R253-T256 PolarHBondContact O-N 3.35Å; R253-T256 PolarHBondContact O-OG1 3.43Å; L254-T256 PolarHBondContact O-N 3.02Å; L254-T256 VanDerWaalsContact O-N 3.08Å; T256-K258 PolarHBondContact O-N 2.83Å; T256-K258 PolarHBondContact OG1-N 2.77Å |
| 257 | M | 97.1 | Very high | 97.1 | Very high | 16 Ų | 16 | 26.8 Ų | 26.8 | 8% | 0.079 | 14% | 0.144 | C | C | . | . | trans | 51.7 | 20 | -174.4 | -63.5 | -69 | 143.7 | 0 | 0 | 114 | L254 L255 T259 V262 F281 L289 T292 H296 F297 | L254-M257 WeakPolarHBondContact O-CE 3.41Å; L254-M257 PolarHBondContact O-N 3.03Å; L255-M257 PolarHBondContact O-N 2.91Å; M257-T259 PolarHBondContact O-N 2.99Å; M257-V262 HydrophobicContact SD-CG2 4.26Å; M257-F281 HydrophobicContact CE-CE2 3.66Å; M257-F281 HydrophobicContact CE-CZ 3.5Å; M257-F281 VanDerWaalsContact CE-CZ 3.5Å; M257-L289 HydrophobicContact CE-CD1 4.11Å; M257-T292 HydrophobicContact CE-CG2 3.53Å; M257-T292 HydrophobicContact CG-CG2 4.42Å; M257-T292 HydrophobicContact SD-CG2 4Å; M257-H296 HydrophobicContact CB-CB 4.34Å; M257-H296 HydrophobicContact CG-CB 4.41Å; M257-H296 HydrophobicContact SD-CB 4.46Å; M257-F297 HydrophobicContact SD-CE2 4.13Å | ||
| 258 | K | 96.5 | Very high | 97.2 | Very high | 98 Ų | 98 | 26.2 Ų | 26.2 | 43% | 0.426 | 14% | 0.143 | S | C | . | . | trans | -63.8 | 122.1 | 172.6 | 175.9 | -178.6 | 174.4 | -173.4 | 0 | 108 | D112 T256 S260 L261 V262 | D112-K258 IonicContact OD2-NZ 3.48Å; D112-K258 PolarHBondContact OD2-NZ 2.89Å; T256-K258 PolarHBondContact O-N 2.83Å; T256-K258 PolarHBondContact OG1-N 2.77Å; K258-S260 PolarHBondContact O-N 3.17Å; K258-L261 HydrophobicContact CB-CB 4.08Å; K258-L261 HydrophobicContact CD-CB 4.35Å; K258-L261 HydrophobicContact CG-CB 4.27Å; K258-L261 WeakPolarHBondContact O-CB 3.47Å; K258-L261 PolarHBondContact O-N 3.27Å; K258-L261 VanDerWaalsContact O-N 3.08Å; K258-V262 PolarHBondContact O-N 3.44Å | ||
| 259 | T | 96.3 | Very high | 97.2 | Very high | 41 Ų | 41 | 24.7 Ų | 24.7 | 25% | 0.252 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -51.1 | -56.1 | -168.8 | -55.1 | 0 | 0 | 0 | 0 | 113.9 | E82 M257 L261 V262 Q263 F297 | E82-T259 HydrophobicContact CB-CG2 4.27Å; E82-T259 HydrophobicContact CG-CG2 4.02Å; E82-T259 WeakPolarHBondContact OE2-CG2 3.44Å; M257-T259 PolarHBondContact O-N 2.99Å; T259-L261 VanDerWaalsContact C-N 3.27Å; T259-L261 PolarHBondContact O-N 2.75Å; T259-V262 PolarHBondContact O-N 2.67Å; T259-Q263 HydrophobicContact CG2-CG 4.4Å; T259-Q263 WeakPolarHBondContact O-CG 3.21Å; T259-Q263 PolarHBondContact O-N 2.92Å; T259-F297 HydrophobicContact CG2-CE1 4.01Å |
| 260 | S | 95.1 | Very high | 97.3 | Very high | 59 Ų | 59 | 24.4 Ų | 24.4 | 41% | 0.413 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -63.2 | -33 | -178.1 | 55 | 0 | 0 | 0 | 0 | 113.3 | K258 G264 | K258-S260 PolarHBondContact O-N 3.17Å; S260-G264 PolarHBondContact O-N 2.87Å |
| 261 | L | 96.6 | Very high | 97.2 | Very high | 11 Ų | 11 | 26.2 Ų | 26.2 | 6% | 0.058 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.1 | -49 | 175.7 | -179.2 | 158.1 | 0 | 0 | 0 | 110.7 | R253 L254 K258 T259 G264 I265 | R253-L261 HydrophobicContact CB-CD2 4.27Å; R253-L261 VanDerWaalsContact CZ-CD1 3.41Å; R253-L261 VanDerWaalsContact O-CD2 3.25Å; R253-L261 WeakPolarHBondContact O-CD2 3.37Å; L254-L261 HydrophobicContact CD2-CD2 4.38Å; K258-L261 HydrophobicContact CB-CB 4.08Å; K258-L261 HydrophobicContact CD-CB 4.35Å; K258-L261 HydrophobicContact CG-CB 4.27Å; K258-L261 WeakPolarHBondContact O-CB 3.47Å; K258-L261 PolarHBondContact O-N 3.27Å; K258-L261 VanDerWaalsContact O-N 3.08Å; T259-L261 VanDerWaalsContact C-N 3.27Å; T259-L261 PolarHBondContact O-N 2.75Å; L261-G264 PolarHBondContact O-N 3.44Å; L261-I265 HydrophobicContact CD2-CD1 3.54Å; L261-I265 HydrophobicContact CD2-CG1 4.4Å; L261-I265 HydrophobicContact CG-CD1 4.1Å; L261-I265 WeakPolarHBondContact O-CG1 3.34Å; L261-I265 PolarHBondContact O-N 2.99Å |
| 262 | V | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.2 | -48.5 | 178.8 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | L254 M257 K258 T259 M266 L293 F297 L305 | L254-V262 HydrophobicContact CD2-CB 4.27Å; L254-V262 HydrophobicContact CD2-CG1 4.32Å; L254-V262 HydrophobicContact CD2-CG2 4.03Å; M257-V262 HydrophobicContact SD-CG2 4.26Å; K258-V262 PolarHBondContact O-N 3.44Å; T259-V262 PolarHBondContact O-N 2.67Å; V262-M266 HydrophobicContact CG1-CG 4.24Å; V262-M266 HydrophobicContact CG1-SD 3.61Å; V262-M266 WeakPolarHBondContact O-CB 3.4Å; V262-M266 WeakPolarHBondContact O-CG 3.49Å; V262-M266 PolarHBondContact O-N 3.41Å; V262-L293 HydrophobicContact CG1-CD2 3.79Å; V262-F297 HydrophobicContact CB-CZ 4.19Å; V262-F297 HydrophobicContact CG1-CE2 4.16Å; V262-F297 HydrophobicContact CG1-CZ 4.18Å; V262-F297 HydrophobicContact CG2-CZ 4.21Å; V262-L305 HydrophobicContact CG1-CD1 4.3Å; V262-L305 HydrophobicContact CG1-CD2 4.3Å |
| 263 | Q | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.4 | -51 | 176.6 | -69.2 | -179.3 | 6 | 0 | 0 | 111.3 | E82 L86 Q89 T259 I265 M266 V267 L305 | E82-Q263 PolarHBondContact O-NE2 3.38Å; L86-Q263 HydrophobicContact CB-CG 4.3Å; L86-Q263 HydrophobicContact CD1-CB 4.1Å; L86-Q263 HydrophobicContact CD1-CG 4.03Å; L86-Q263 HydrophobicContact CD2-CG 4.47Å; L86-Q263 HydrophobicContact CG-CG 4.5Å; Q89-Q263 VanDerWaalsContact NE2-OE1 3.12Å; T259-Q263 HydrophobicContact CG2-CG 4.4Å; T259-Q263 WeakPolarHBondContact O-CG 3.21Å; T259-Q263 PolarHBondContact O-N 2.92Å; Q263-I265 PolarHBondContact O-N 2.92Å; Q263-M266 PolarHBondContact O-N 3.29Å; Q263-V267 WeakPolarHBondContact O-CB 3.46Å; Q263-V267 VanDerWaalsContact O-CG2 3.3Å; Q263-V267 WeakPolarHBondContact O-CG2 3.32Å; Q263-V267 PolarHBondContact O-N 3.45Å; Q263-L305 HydrophobicContact CG-CD2 4.21Å |
| 264 | G | 97.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.3 | -51 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S260 L261 S268 | S260-G264 PolarHBondContact O-N 2.87Å; L261-G264 PolarHBondContact O-N 3.44Å; G264-S268 WeakPolarHBondContact O-CB 3.47Å; G264-S268 PolarHBondContact O-N 2.92Å |
| 265 | I | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.4 | -49.8 | 177.7 | -68.2 | 177.5 | 0 | 0 | 0 | 110.3 | E118 L250 R253 L254 L261 Q263 V267 S268 H269 | E118-I265 VanDerWaalsContact OE1-CG1 3.27Å; E118-I265 WeakPolarHBondContact OE1-CG1 3.34Å; L250-I265 HydrophobicContact CD2-CD1 4.28Å; L250-I265 HydrophobicContact CD2-CG1 4.44Å; L250-I265 HydrophobicContact CD2-CG2 4.39Å; R253-I265 HydrophobicContact CB-CD1 3.75Å; L254-I265 HydrophobicContact CD1-CG2 4.2Å; L254-I265 HydrophobicContact CD2-CB 3.98Å; L254-I265 HydrophobicContact CD2-CD1 4.11Å; L254-I265 HydrophobicContact CD2-CG2 3.97Å; L254-I265 HydrophobicContact CG-CD1 4.23Å; L254-I265 HydrophobicContact CG-CG2 4.12Å; L261-I265 HydrophobicContact CD2-CD1 3.54Å; L261-I265 HydrophobicContact CD2-CG1 4.4Å; L261-I265 HydrophobicContact CG-CD1 4.1Å; L261-I265 WeakPolarHBondContact O-CG1 3.34Å; L261-I265 PolarHBondContact O-N 2.99Å; Q263-I265 PolarHBondContact O-N 2.92Å; I265-V267 PolarHBondContact O-N 3.11Å; I265-S268 PolarHBondContact O-N 2.84Å; I265-H269 WeakPolarHBondContact O-CB 3.44Å; I265-H269 PolarHBondContact O-CD2 3.22Å; I265-H269 VanDerWaalsContact O-CD2 3.31Å; I265-H269 PolarHBondContact O-N 3.27Å |
| 266 | M | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | -174.9 | -73.1 | -174 | 69.1 | 0 | 0 | 112.2 | L254 V262 Q263 S270 L293 L305 I308 C309 | L254-M266 HydrophobicContact CD2-CG 4.47Å; V262-M266 HydrophobicContact CG1-CG 4.24Å; V262-M266 HydrophobicContact CG1-SD 3.61Å; V262-M266 WeakPolarHBondContact O-CB 3.4Å; V262-M266 WeakPolarHBondContact O-CG 3.49Å; V262-M266 PolarHBondContact O-N 3.41Å; Q263-M266 PolarHBondContact O-N 3.29Å; M266-S270 WeakPolarHBondContact O-CA 3.44Å; M266-S270 WeakPolarHBondContact O-CB 3.5Å; M266-S270 PolarHBondContact O-N 3.17Å; M266-L293 HydrophobicContact CE-CD1 3.77Å; M266-L293 HydrophobicContact SD-CD1 3.94Å; M266-L293 HydrophobicContact SD-CD2 4.08Å; M266-L305 HydrophobicContact CE-CB 4.45Å; M266-L305 WeakPolarHBondContact CE-O 3.45Å; M266-L305 HydrophobicContact SD-CB 4.46Å; M266-L305 HydrophobicContact SD-CD2 3.89Å; M266-I308 HydrophobicContact CB-CG2 4.15Å; M266-I308 HydrophobicContact CE-CB 4.15Å; M266-I308 HydrophobicContact CE-CG2 4.08Å; M266-C309 HydrophobicContact CE-CB 3.78Å |
| 267 | V | 98.4 | Very high | 97 | Very high | 10 Ų | 10 | 28.5 Ų | 28.5 | 6% | 0.061 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.9 | -50 | 177 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | L86 Q89 L90 L97 Q263 I265 H269 S270 I308 | L86-V267 HydrophobicContact CD1-CG2 3.56Å; Q89-V267 HydrophobicContact CB-CG1 4.37Å; Q89-V267 HydrophobicContact CB-CG2 4.33Å; L90-V267 HydrophobicContact CD2-CG1 4.07Å; L90-V267 HydrophobicContact CD2-CG2 3.8Å; L90-V267 HydrophobicContact CG-CG2 4.27Å; L97-V267 HydrophobicContact CD2-CB 4.1Å; L97-V267 HydrophobicContact CD2-CG1 3.59Å; Q263-V267 WeakPolarHBondContact O-CB 3.46Å; Q263-V267 VanDerWaalsContact O-CG2 3.3Å; Q263-V267 WeakPolarHBondContact O-CG2 3.32Å; Q263-V267 PolarHBondContact O-N 3.45Å; I265-V267 PolarHBondContact O-N 3.11Å; V267-H269 PolarHBondContact O-N 3.17Å; V267-S270 PolarHBondContact O-N 3.14Å; V267-S270 PolarHBondContact O-OG 3.42Å; V267-I308 HydrophobicContact CG2-CD1 4.18Å |
| 268 | S | 97.3 | Very high | 97 | Very high | 14 Ų | 14 | 28.3 Ų | 28.3 | 10% | 0.098 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.7 | -32.2 | -176.6 | 177 | 0 | 0 | 0 | 0 | 113.3 | E98 R101 R123 G264 I265 | E98-S268 PolarHBondContact OE1-OG 2.84Å; R101-S268 PolarHBondContact NH1-OG 3.01Å; R123-S268 PolarHBondContact NH2-O 3.43Å; R123-S268 PolarHBondContact NH2-OG 2.98Å; G264-S268 WeakPolarHBondContact O-CB 3.47Å; G264-S268 PolarHBondContact O-N 2.92Å; I265-S268 PolarHBondContact O-N 2.84Å |
| 269 | H | 97.2 | Very high | 97.1 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -104.8 | -5.9 | -178.2 | -71.7 | -86.1 | 0 | 0 | 0 | 114.1 | L250 I265 V267 E271 E272 D273 L274 I277 | L250-H269 WeakPolarHBondContact CD1-CE1 3.4Å; I265-H269 WeakPolarHBondContact O-CB 3.44Å; I265-H269 PolarHBondContact O-CD2 3.22Å; I265-H269 VanDerWaalsContact O-CD2 3.31Å; I265-H269 PolarHBondContact O-N 3.27Å; V267-H269 PolarHBondContact O-N 3.17Å; H269-E271 PolarHBondContact O-N 2.74Å; H269-E272 PolarHBondContact O-N 3.11Å; H269-E272 VanDerWaalsContact O-N 3.13Å; H269-D273 VanDerWaalsContact CB-OD1 3.26Å; H269-D273 WeakPolarHBondContact CB-OD1 3.27Å; H269-D273 IonicContact CE1-OD1 3.8Å; H269-D273 IonicContact CE1-OD2 3.9Å; H269-D273 IonicContact CG-OD1 3.79Å; H269-D273 IonicContact ND1-OD1 2.75Å; H269-D273 PolarHBondContact ND1-OD1 3.36Å; H269-D273 IonicContact ND1-OD2 3.78Å; H269-D273 PolarHBondContact ND1-OD2 3.1Å; H269-D273 PolarHBondContact O-N 3.23Å; H269-L274 HydrophobicContact CB-CB 4.36Å; H269-L274 WeakPolarHBondContact O-CB 3.5Å; H269-L274 PolarHBondContact O-N 3.34Å; H269-L274 VanDerWaalsContact O-N 3.11Å; H269-I277 HydrophobicContact CB-CD1 3.63Å |
| 270 | S | 97.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.007 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -28 | -172.2 | 57.7 | 0 | 0 | 0 | 0 | 114.7 | G15 T16 I17 M266 V267 | G15-S270 CarbonylContact C-O 3.59Å; G15-S270 VanDerWaalsContact CA-O 3.24Å; G15-S270 WeakPolarHBondContact CA-O 3.2Å; T16-S270 PolarHBondContact N-O 3.22Å; T16-S270 PolarHBondContact OG1-O 3.49Å; I17-S270 PolarHBondContact N-O 2.9Å; M266-S270 WeakPolarHBondContact O-CA 3.44Å; M266-S270 WeakPolarHBondContact O-CB 3.5Å; M266-S270 PolarHBondContact O-N 3.17Å; V267-S270 PolarHBondContact O-N 3.14Å; V267-S270 PolarHBondContact O-OG 3.42Å |
| 271 | E | 96.3 | Very high | 97.3 | Very high | 43 Ų | 43 | 20.7 Ų | 20.7 | 20% | 0.201 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -3.8 | -176.4 | -66.5 | 179.3 | -143.6 | 0 | 0 | 113.1 | T13 I17 N52 N53 R56 H269 | T13-E271 WeakPolarHBondContact CB-O 3.27Å; T13-E271 WeakPolarHBondContact CG2-O 3.37Å; T13-E271 PolarHBondContact OG1-O 3.36Å; I17-E271 HydrophobicContact CB-CG 3.91Å; I17-E271 HydrophobicContact CG2-CG 4.02Å; N52-E271 WeakPolarHBondContact CA-OE1 3.47Å; N52-E271 WeakPolarHBondContact CB-OE2 3.39Å; N53-E271 WeakPolarHBondContact CB-OE1 3.22Å; N53-E271 PolarHBondContact N-OE1 2.86Å; N53-E271 PolarHBondContact N-OE2 3.17Å; R56-E271 IonicContact CZ-OE1 3.69Å; R56-E271 IonicContact NH2-OE1 3.23Å; R56-E271 PolarHBondContact NH2-OE1 3.18Å; H269-E271 PolarHBondContact O-N 2.74Å |
| 272 | E | 93.1 | Very high | 97.4 | Very high | 96 Ų | 96 | 23 Ų | 23 | 45% | 0.449 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -60.8 | -172.4 | -66.7 | -177.3 | 174.4 | 0 | 0 | 112.5 | L14 G15 R123 H269 | L14-E272 CarbonylContact C-O 3.46Å; L14-E272 VanDerWaalsContact CA-O 3.29Å; L14-E272 WeakPolarHBondContact CA-O 3.1Å; L14-E272 PolarHBondContact N-O 3.38Å; G15-E272 PolarHBondContact N-O 3.23Å; G15-E272 VanDerWaalsContact N-O 3.14Å; R123-E272 IonicContact CZ-OE2 2.71Å; R123-E272 IonicContact NH1-OE1 3.02Å; R123-E272 IonicContact NH1-OE2 2.62Å; R123-E272 PolarHBondContact NH1-OE2 2.92Å; R123-E272 IonicContact NH2-OE2 3.74Å; H269-E272 PolarHBondContact O-N 3.11Å; H269-E272 VanDerWaalsContact O-N 3.13Å |
| 273 | D | 95.3 | Very high | 97.3 | Very high | 36 Ų | 36 | 30.9 Ų | 30.9 | 19% | 0.193 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -151.2 | 11.1 | -164.8 | 63.1 | -6.6 | 0 | 0 | 0 | 114.8 | L14 H269 L275 R276 I277 | L14-D273 CarbonylContact O-C 3.6Å; L14-D273 WeakPolarHBondContact O-CA 3.35Å; H269-D273 VanDerWaalsContact CB-OD1 3.26Å; H269-D273 WeakPolarHBondContact CB-OD1 3.27Å; H269-D273 IonicContact CE1-OD1 3.8Å; H269-D273 IonicContact CE1-OD2 3.9Å; H269-D273 IonicContact CG-OD1 3.79Å; H269-D273 IonicContact ND1-OD1 2.75Å; H269-D273 PolarHBondContact ND1-OD1 3.36Å; H269-D273 IonicContact ND1-OD2 3.78Å; H269-D273 PolarHBondContact ND1-OD2 3.1Å; H269-D273 PolarHBondContact O-N 3.23Å; D273-L275 PolarHBondContact O-N 2.78Å; D273-R276 WeakPolarHBondContact O-CB 3.33Å; D273-R276 PolarHBondContact O-N 3.19Å; D273-I277 PolarHBondContact O-N 3.03Å |
| 274 | L | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.9 | -25 | -178 | -172.5 | 59.2 | 0 | 0 | 0 | 114 | L14 T16 H269 I277 R278 I308 | L14-L274 PolarHBondContact O-N 2.99Å; T16-L274 HydrophobicContact CG2-CB 4.05Å; T16-L274 HydrophobicContact CG2-CD2 4.14Å; T16-L274 HydrophobicContact CG2-CG 4.07Å; T16-L274 WeakPolarHBondContact OG1-CD2 3.46Å; H269-L274 HydrophobicContact CB-CB 4.36Å; H269-L274 WeakPolarHBondContact O-CB 3.5Å; H269-L274 PolarHBondContact O-N 3.34Å; H269-L274 VanDerWaalsContact O-N 3.11Å; L274-I277 HydrophobicContact CD1-CB 4.22Å; L274-I277 HydrophobicContact CD1-CD1 4.19Å; L274-I277 HydrophobicContact CD1-CG2 4.45Å; L274-I277 PolarHBondContact O-N 3.4Å; L274-R278 WeakPolarHBondContact O-CB 3.38Å; L274-R278 VanDerWaalsContact O-CG 3.27Å; L274-R278 WeakPolarHBondContact O-CG 3.47Å; L274-R278 PolarHBondContact O-N 3.16Å; L274-I308 HydrophobicContact CD2-CG2 3.89Å |
| 275 | L | 97.4 | Very high | 97.3 | Very high | 60 Ų | 60 | 36.7 Ų | 36.7 | 31% | 0.314 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.2 | -37.3 | 172.3 | -67.9 | 170.2 | 0 | 0 | 0 | 112.7 | L14 T16 D273 A279 | L14-L275 VanDerWaalsContact O-CB 3.22Å; L14-L275 WeakPolarHBondContact O-CB 3.38Å; L14-L275 VanDerWaalsContact O-CG 3.3Å; L14-L275 WeakPolarHBondContact O-CG 3.39Å; L14-L275 PolarHBondContact O-N 2.87Å; T16-L275 HydrophobicContact CG2-CD2 3.74Å; T16-L275 HydrophobicContact CG2-CG 3.94Å; D273-L275 PolarHBondContact O-N 2.78Å; L275-A279 PolarHBondContact O-N 3.44Å |
| 276 | R | 96.7 | Very high | 97.2 | Very high | 111 Ų | 111 | 39.8 Ų | 39.8 | 42% | 0.419 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.8 | -42.4 | 175.8 | -66.8 | -178.1 | 65.7 | 178.3 | -0.2 | 110.8 | L14 E247 D273 A279 A280 | L14-R276 HydrophobicContact CB-CG 4.4Å; L14-R276 HydrophobicContact CD1-CG 3.66Å; E247-R276 HydrophobicContact CB-CB 3.92Å; E247-R276 HydrophobicContact CG-CB 4.27Å; E247-R276 IonicContact OE1-CZ 3.32Å; E247-R276 IonicContact OE1-NE 3.06Å; E247-R276 PolarHBondContact OE1-NE 3.27Å; E247-R276 IonicContact OE1-NH2 3.6Å; E247-R276 PolarHBondContact OE1-NH2 3.42Å; E247-R276 IonicContact OE2-CZ 3.14Å; E247-R276 IonicContact OE2-NE 3.4Å; E247-R276 IonicContact OE2-NH2 2.67Å; E247-R276 PolarHBondContact OE2-NH2 3.42Å; E247-R276 VanDerWaalsContact OE2-NH2 3.09Å; D273-R276 WeakPolarHBondContact O-CB 3.33Å; D273-R276 PolarHBondContact O-N 3.19Å; R276-A279 PolarHBondContact O-N 2.98Å; R276-A280 WeakPolarHBondContact O-CB 3.46Å; R276-A280 PolarHBondContact O-N 3.12Å |
| 277 | I | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 178.2 | -57.1 | 172.5 | 0 | 0 | 0 | 110.1 | E247 L250 A251 L254 H269 D273 L274 A279 A280 F281 | E247-I277 HydrophobicContact CB-CG1 4.31Å; L250-I277 HydrophobicContact CB-CD1 4.01Å; L250-I277 HydrophobicContact CB-CG1 4.13Å; L250-I277 HydrophobicContact CB-CG2 4.07Å; L250-I277 HydrophobicContact CD1-CD1 3.54Å; L250-I277 HydrophobicContact CD1-CG1 4.05Å; L250-I277 HydrophobicContact CG-CD1 4.39Å; A251-I277 HydrophobicContact CB-CG2 4.35Å; L254-I277 HydrophobicContact CD1-CG2 3.64Å; H269-I277 HydrophobicContact CB-CD1 3.63Å; D273-I277 PolarHBondContact O-N 3.03Å; L274-I277 HydrophobicContact CD1-CB 4.22Å; L274-I277 HydrophobicContact CD1-CD1 4.19Å; L274-I277 HydrophobicContact CD1-CG2 4.45Å; L274-I277 PolarHBondContact O-N 3.4Å; I277-A279 PolarHBondContact O-N 3.32Å; I277-A280 PolarHBondContact O-N 3.19Å; I277-F281 VanDerWaalsContact O-CB 3.31Å; I277-F281 WeakPolarHBondContact O-CB 3.43Å; I277-F281 PolarHBondContact O-N 3.46Å |
| 278 | R | 98.2 | Very high | 97.1 | Very high | 11 Ų | 11 | 41.4 Ų | 41.4 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.9 | -49.1 | 174.6 | -77.7 | 171.3 | 51.7 | -174.5 | -8.8 | 112.4 | L274 A280 F281 L282 L289 C309 S311 E312 D313 | L274-R278 WeakPolarHBondContact O-CB 3.38Å; L274-R278 VanDerWaalsContact O-CG 3.27Å; L274-R278 WeakPolarHBondContact O-CG 3.47Å; L274-R278 PolarHBondContact O-N 3.16Å; R278-A280 VanDerWaalsContact C-N 3.32Å; R278-A280 PolarHBondContact O-N 3.21Å; R278-F281 WeakPolarHBondContact O-CB 3.5Å; R278-F281 PolarHBondContact O-N 3.47Å; R278-L282 PolarHBondContact O-N 3.32Å; R278-L289 HydrophobicContact CG-CB 4.24Å; R278-L289 HydrophobicContact CG-CD2 3.95Å; R278-C309 PolarHBondContact NH1-O 2.91Å; R278-S311 PolarHBondContact NH2-O 3.13Å; R278-S311 PolarHBondContact NH2-OG 3Å; R278-S311 VanDerWaalsContact NH2-OG 3.16Å; R278-E312 PolarHBondContact NH2-O 3.09Å; R278-D313 WeakPolarHBondContact CB-OD1 3.12Å; R278-D313 IonicContact CZ-OD1 3.96Å; R278-D313 IonicContact NE-OD1 3.87Å; R278-D313 PolarHBondContact NE-OD1 2.77Å; R278-D313 IonicContact NE-OD2 2.64Å; R278-D313 IonicContact NH2-OD1 2.69Å; R278-D313 PolarHBondContact NH2-OD1 2.85Å |
| 279 | A | 97.8 | Very high | 97.2 | Very high | 36 Ų | 36 | 40.8 Ų | 40.8 | 30% | 0.298 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.8 | -39.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L275 R276 I277 R283 | L275-A279 PolarHBondContact O-N 3.44Å; R276-A279 PolarHBondContact O-N 2.98Å; I277-A279 PolarHBondContact O-N 3.32Å; A279-R283 WeakPolarHBondContact O-CG 3.22Å; A279-R283 PolarHBondContact O-N 3.43Å; A279-R283 PolarHBondContact O-NH1 3.15Å |
| 280 | A | 97.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.8 | -41.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E247 V248 A251 R276 I277 R278 L282 R283 L284 | E247-A280 HydrophobicContact CB-CB 4.24Å; E247-A280 HydrophobicContact CG-CB 3.9Å; V248-A280 HydrophobicContact CG2-CB 4.24Å; A251-A280 HydrophobicContact CB-CB 3.87Å; R276-A280 WeakPolarHBondContact O-CB 3.46Å; R276-A280 PolarHBondContact O-N 3.12Å; I277-A280 PolarHBondContact O-N 3.19Å; R278-A280 VanDerWaalsContact C-N 3.32Å; R278-A280 PolarHBondContact O-N 3.21Å; A280-L282 PolarHBondContact O-N 3.1Å; A280-R283 PolarHBondContact O-N 2.9Å; A280-L284 WeakPolarHBondContact O-CG 3.37Å; A280-L284 PolarHBondContact O-N 3.19Å |
| 281 | F | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 176.6 | -172.2 | -80.4 | 0 | 0 | 0 | 112.1 | A251 L254 L255 M257 I277 R278 R283 L284 S285 S287 L289 T292 | A251-F281 HydrophobicContact CB-CB 3.91Å; A251-F281 HydrophobicContact CB-CD2 4.42Å; A251-F281 WeakPolarHBondContact O-CD2 3.34Å; L254-F281 HydrophobicContact CB-CD2 3.86Å; L254-F281 HydrophobicContact CB-CE2 3.81Å; L255-F281 HydrophobicContact CD2-CD2 4.21Å; L255-F281 HydrophobicContact CD2-CE1 4.46Å; L255-F281 HydrophobicContact CD2-CE2 3.53Å; L255-F281 HydrophobicContact CD2-CZ 3.67Å; L255-F281 HydrophobicContact CG-CE2 4.09Å; M257-F281 HydrophobicContact CE-CE2 3.66Å; M257-F281 HydrophobicContact CE-CZ 3.5Å; M257-F281 VanDerWaalsContact CE-CZ 3.5Å; I277-F281 VanDerWaalsContact O-CB 3.31Å; I277-F281 WeakPolarHBondContact O-CB 3.43Å; I277-F281 PolarHBondContact O-N 3.46Å; R278-F281 WeakPolarHBondContact O-CB 3.5Å; R278-F281 PolarHBondContact O-N 3.47Å; F281-R283 PolarHBondContact O-N 3.27Å; F281-L284 PolarHBondContact O-N 2.89Å; F281-S285 WeakPolarHBondContact CE1-OG 3.31Å; F281-S285 WeakPolarHBondContact O-CB 3.33Å; F281-S285 PolarHBondContact O-N 3.41Å; F281-S285 PolarHBondContact O-OG 2.9Å; F281-S287 WeakPolarHBondContact CD1-O 3.42Å; F281-L289 HydrophobicContact CD1-CB 3.97Å; F281-L289 HydrophobicContact CD1-CD1 4.39Å; F281-L289 HydrophobicContact CD2-CD1 4.14Å; F281-L289 HydrophobicContact CE1-CB 4.44Å; F281-L289 HydrophobicContact CE1-CD1 4.32Å; F281-L289 HydrophobicContact CE2-CD1 4.03Å; F281-L289 HydrophobicContact CG-CB 4.22Å; F281-L289 HydrophobicContact CG-CD1 4.32Å; F281-L289 HydrophobicContact CZ-CD1 4.14Å; F281-T292 HydrophobicContact CE1-CG2 4.36Å; F281-T292 HydrophobicContact CZ-CG2 4.03Å |
| 282 | L | 98.1 | Very high | 97.3 | Very high | 59 Ų | 59 | 43.5 Ų | 43.5 | 31% | 0.309 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.9 | -46.1 | 175.4 | 176.6 | 62.8 | 0 | 0 | 0 | 111.2 | R278 A280 L284 G286 D313 | R278-L282 PolarHBondContact O-N 3.32Å; A280-L282 PolarHBondContact O-N 3.1Å; L282-L284 VanDerWaalsContact C-N 3.3Å; L282-L284 PolarHBondContact O-N 3.23Å; L282-G286 WeakPolarHBondContact O-CA 3.28Å; L282-G286 PolarHBondContact O-N 3.47Å; L282-D313 HydrophobicContact CD2-CB 3.82Å |
| 283 | R | 97.7 | Very high | 97.5 | Very high | 167 Ų | 167 | 39 Ų | 39 | 63% | 0.63 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -61.7 | -36.7 | 178.2 | -71.9 | -171.3 | -60.4 | -93.5 | 6.8 | 112.9 | A279 A280 F281 | A279-R283 WeakPolarHBondContact O-CG 3.22Å; A279-R283 PolarHBondContact O-N 3.43Å; A279-R283 PolarHBondContact O-NH1 3.15Å; A280-R283 PolarHBondContact O-N 2.9Å; F281-R283 PolarHBondContact O-N 3.27Å |
| 284 | L | 96.9 | Very high | 97.6 | Very high | 76 Ų | 76 | 41.5 Ų | 41.5 | 40% | 0.398 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -78.8 | -41.4 | -178 | -72 | 172.2 | 0 | 0 | 0 | 113.3 | V248 A251 Q252 A280 F281 L282 | V248-L284 HydrophobicContact CG1-CD1 4.03Å; V248-L284 HydrophobicContact CG1-CD2 4.27Å; A251-L284 HydrophobicContact CB-CD1 3.77Å; Q252-L284 HydrophobicContact CG-CD1 3.69Å; A280-L284 WeakPolarHBondContact O-CG 3.37Å; A280-L284 PolarHBondContact O-N 3.19Å; F281-L284 PolarHBondContact O-N 2.89Å; L282-L284 VanDerWaalsContact C-N 3.3Å; L282-L284 PolarHBondContact O-N 3.23Å |
| 285 | S | 96.7 | Very high | 97.6 | Very high | 47 Ų | 47 | 48.3 Ų | 48.3 | 33% | 0.329 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -100.7 | -17.7 | -170.8 | 68.9 | 0 | 0 | 0 | 0 | 114.3 | F281 S287 | F281-S285 WeakPolarHBondContact CE1-OG 3.31Å; F281-S285 WeakPolarHBondContact O-CB 3.33Å; F281-S285 PolarHBondContact O-N 3.41Å; F281-S285 PolarHBondContact O-OG 2.9Å; S285-S287 PolarHBondContact O-N 3.12Å; S285-S287 PolarHBondContact OG-N 2.86Å; S285-S287 PolarHBondContact OG-O 3.41Å |
| 286 | G | 97 | Very high | 97.7 | Very high | 64 Ų | 64 | 50.9 Ų | 50.9 | 66% | 0.66 | 26% | 0.263 | S | S | * | . | S | Bend | trans | 70.5 | 5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L282 | L282-G286 WeakPolarHBondContact O-CA 3.28Å; L282-G286 PolarHBondContact O-N 3.47Å |
| 287 | S | 96.7 | Very high | 97.7 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -128.4 | 145.8 | 173.3 | -69 | 0 | 0 | 0 | 0 | 109.8 | F281 S285 | F281-S287 WeakPolarHBondContact CD1-O 3.42Å; S285-S287 PolarHBondContact O-N 3.12Å; S285-S287 PolarHBondContact OG-N 2.86Å; S285-S287 PolarHBondContact OG-O 3.41Å |
| 288 | S | 97.9 | Very high | 97.6 | Very high | 6 Ų | 6 | 54.5 Ų | 54.5 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | trans | -62.9 | 156.3 | 175.3 | 71.3 | 0 | 0 | 0 | 0 | 110.8 | Y290 S291 T292 E312 | S288-Y290 PolarHBondContact O-N 3.43Å; S288-S291 VanDerWaalsContact OG-CB 3.31Å; S288-S291 WeakPolarHBondContact OG-CB 3.43Å; S288-S291 PolarHBondContact OG-N 3.41Å; S288-T292 WeakPolarHBondContact O-CB 3.44Å; S288-T292 PolarHBondContact O-N 3.26Å; S288-T292 VanDerWaalsContact O-N 3.07Å; S288-T292 PolarHBondContact O-OG1 3.28Å; S288-E312 WeakPolarHBondContact CB-OE2 3.42Å; S288-E312 PolarHBondContact OG-OE2 3.42Å | ||
| 289 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -41 | 172.3 | 179.8 | 58.9 | 0 | 0 | 0 | 109.8 | L254 M257 R278 F281 S291 T292 L293 | L254-L289 HydrophobicContact CD1-CD1 4.23Å; L254-L289 HydrophobicContact CD1-CD2 3.96Å; M257-L289 HydrophobicContact CE-CD1 4.11Å; R278-L289 HydrophobicContact CG-CB 4.24Å; R278-L289 HydrophobicContact CG-CD2 3.95Å; F281-L289 HydrophobicContact CD1-CB 3.97Å; F281-L289 HydrophobicContact CD1-CD1 4.39Å; F281-L289 HydrophobicContact CD2-CD1 4.14Å; F281-L289 HydrophobicContact CE1-CB 4.44Å; F281-L289 HydrophobicContact CE1-CD1 4.32Å; F281-L289 HydrophobicContact CE2-CD1 4.03Å; F281-L289 HydrophobicContact CG-CB 4.22Å; F281-L289 HydrophobicContact CG-CD1 4.32Å; F281-L289 HydrophobicContact CZ-CD1 4.14Å; L289-S291 PolarHBondContact O-N 3Å; L289-T292 PolarHBondContact O-N 2.94Å; L289-L293 HydrophobicContact CD1-CD1 4.48Å; L289-L293 HydrophobicContact CD1-CD2 4.46Å; L289-L293 HydrophobicContact CD1-CG 4.22Å; L289-L293 HydrophobicContact CG-CD1 4.13Å; L289-L293 HydrophobicContact CG-CG 4.35Å; L289-L293 VanDerWaalsContact O-CG 3.24Å; L289-L293 WeakPolarHBondContact O-CG 3.36Å; L289-L293 PolarHBondContact O-N 2.91Å |
| 290 | Y | 98.2 | Very high | 97.4 | Very high | 54 Ų | 54 | 58.7 Ų | 58.7 | 21% | 0.212 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.8 | -51.6 | -179.2 | -170.1 | -84.2 | 0 | 0 | 0 | 113 | S288 T292 L293 Q294 Q306 C309 S311 E312 | S288-Y290 PolarHBondContact O-N 3.43Å; Y290-T292 VanDerWaalsContact C-N 3.31Å; Y290-T292 PolarHBondContact O-N 3.48Å; Y290-L293 PolarHBondContact O-N 2.85Å; Y290-Q294 PolarHBondContact O-N 3.34Å; Y290-Q306 VanDerWaalsContact CD1-NE2 3.32Å; Y290-Q306 HydrophobicContact CD2-CB 4.26Å; Y290-Q306 HydrophobicContact CD2-CG 4.26Å; Y290-Q306 HydrophobicContact CE2-CB 3.66Å; Y290-Q306 HydrophobicContact CE2-CG 3.93Å; Y290-Q306 PolarHBondContact OH-NE2 3.46Å; Y290-C309 HydrophobicContact CD2-CB 4.18Å; Y290-S311 WeakPolarHBondContact CB-O 3.41Å; Y290-E312 HydrophobicContact CD1-CG 4.11Å; Y290-E312 WeakPolarHBondContact CD1-OE1 3.38Å |
| 291 | S | 97.5 | Very high | 97.3 | Very high | 34 Ų | 34 | 60.1 Ų | 60.1 | 24% | 0.238 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.5 | -33.6 | 177 | -84.3 | 0 | 0 | 0 | 0 | 112.2 | S288 L289 Q294 K295 E312 | S288-S291 VanDerWaalsContact OG-CB 3.31Å; S288-S291 WeakPolarHBondContact OG-CB 3.43Å; S288-S291 PolarHBondContact OG-N 3.41Å; L289-S291 PolarHBondContact O-N 3Å; S291-Q294 PolarHBondContact O-N 3.11Å; S291-K295 PolarHBondContact O-N 2.94Å; S291-E312 PolarHBondContact OG-OE1 3.27Å; S291-E312 PolarHBondContact OG-OE2 3.49Å |
| 292 | T | 98.3 | Very high | 97.3 | Very high | 16 Ų | 16 | 61.3 Ų | 61.3 | 10% | 0.098 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68 | -41.4 | 177 | -54.5 | 0 | 0 | 0 | 0 | 110.9 | M257 F281 S288 L289 Y290 Q294 K295 H296 | M257-T292 HydrophobicContact CE-CG2 3.53Å; M257-T292 HydrophobicContact CG-CG2 4.42Å; M257-T292 HydrophobicContact SD-CG2 4Å; F281-T292 HydrophobicContact CE1-CG2 4.36Å; F281-T292 HydrophobicContact CZ-CG2 4.03Å; S288-T292 WeakPolarHBondContact O-CB 3.44Å; S288-T292 PolarHBondContact O-N 3.26Å; S288-T292 VanDerWaalsContact O-N 3.07Å; S288-T292 PolarHBondContact O-OG1 3.28Å; L289-T292 PolarHBondContact O-N 2.94Å; Y290-T292 VanDerWaalsContact C-N 3.31Å; Y290-T292 PolarHBondContact O-N 3.48Å; T292-Q294 VanDerWaalsContact C-N 3.27Å; T292-Q294 PolarHBondContact O-N 2.81Å; T292-K295 PolarHBondContact O-N 3.4Å; T292-K295 VanDerWaalsContact O-N 3.08Å; T292-H296 PolarHBondContact O-CD2 3.21Å; T292-H296 VanDerWaalsContact O-CD2 3.29Å; T292-H296 PolarHBondContact O-N 3.34Å |
| 293 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.6 | -41.4 | 174.4 | -67.6 | 167.9 | 0 | 0 | 0 | 111.7 | V262 M266 L289 Y290 K295 H296 F297 L302 L305 C309 | V262-L293 HydrophobicContact CG1-CD2 3.79Å; M266-L293 HydrophobicContact CE-CD1 3.77Å; M266-L293 HydrophobicContact SD-CD1 3.94Å; M266-L293 HydrophobicContact SD-CD2 4.08Å; L289-L293 HydrophobicContact CD1-CD1 4.48Å; L289-L293 HydrophobicContact CD1-CD2 4.46Å; L289-L293 HydrophobicContact CD1-CG 4.22Å; L289-L293 HydrophobicContact CG-CD1 4.13Å; L289-L293 HydrophobicContact CG-CG 4.35Å; L289-L293 VanDerWaalsContact O-CG 3.24Å; L289-L293 WeakPolarHBondContact O-CG 3.36Å; L289-L293 PolarHBondContact O-N 2.91Å; Y290-L293 PolarHBondContact O-N 2.85Å; L293-K295 PolarHBondContact O-N 2.98Å; L293-H296 PolarHBondContact O-N 3.45Å; L293-H296 VanDerWaalsContact O-N 3.14Å; L293-F297 HydrophobicContact CB-CD2 4.35Å; L293-F297 HydrophobicContact CD2-CD2 3.72Å; L293-F297 HydrophobicContact CD2-CE2 3.62Å; L293-F297 PolarHBondContact O-N 3.43Å; L293-L302 VanDerWaalsContact C-CD1 3.49Å; L293-L302 HydrophobicContact CB-CD1 4.09Å; L293-L302 WeakPolarHBondContact O-CD1 3.42Å; L293-L305 HydrophobicContact CD1-CB 4.17Å; L293-L305 HydrophobicContact CD2-CB 4.34Å; L293-L305 HydrophobicContact CD2-CD1 4.17Å; L293-C309 HydrophobicContact CD1-CB 4.05Å |
| 294 | Q | 97.3 | Very high | 97.2 | Very high | 89 Ų | 89 | 54.7 Ų | 54.7 | 42% | 0.416 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.7 | -32 | 177.8 | -67.8 | -179.9 | -35.5 | 0 | 0 | 114 | Y290 S291 T292 L302 Q306 | Y290-Q294 PolarHBondContact O-N 3.34Å; S291-Q294 PolarHBondContact O-N 3.11Å; T292-Q294 VanDerWaalsContact C-N 3.27Å; T292-Q294 PolarHBondContact O-N 2.81Å; Q294-L302 HydrophobicContact CG-CD1 4.23Å; Q294-L302 HydrophobicContact CG-CD2 4.37Å; Q294-Q306 VanDerWaalsContact CD-NE2 3.26Å |
| 295 | K | 97.6 | Very high | 97.3 | Very high | 143 Ų | 143 | 51.1 Ų | 51.1 | 62% | 0.622 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -76.1 | -29.5 | -180 | -65.2 | 171.1 | -173.7 | 171.5 | 0 | 111.8 | S291 T292 L293 | S291-K295 PolarHBondContact O-N 2.94Å; T292-K295 PolarHBondContact O-N 3.4Å; T292-K295 VanDerWaalsContact O-N 3.08Å; L293-K295 PolarHBondContact O-N 2.98Å |
| 296 | H | 97.9 | Very high | 97.4 | Very high | 115 Ų | 115 | 49.7 Ų | 49.7 | 53% | 0.532 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -104.7 | -30.5 | -169.9 | -74.8 | -94.2 | 0 | 0 | 0 | 114.3 | M257 T292 L293 | M257-H296 HydrophobicContact CB-CB 4.34Å; M257-H296 HydrophobicContact CG-CB 4.41Å; M257-H296 HydrophobicContact SD-CB 4.46Å; T292-H296 PolarHBondContact O-CD2 3.21Å; T292-H296 VanDerWaalsContact O-CD2 3.29Å; T292-H296 PolarHBondContact O-N 3.34Å; L293-H296 PolarHBondContact O-N 3.45Å; L293-H296 VanDerWaalsContact O-N 3.14Å |
| 297 | F | 97.6 | Very high | 97.4 | Very high | 10 Ų | 10 | 48 Ų | 48 | 4% | 0.044 | 25% | 0.247 | C | C | . | . | trans | -114 | 157.8 | -177.5 | -58.2 | -81.3 | 0 | 0 | 0 | 110.9 | M257 T259 V262 L293 Q301 L302 L305 | M257-F297 HydrophobicContact SD-CE2 4.13Å; T259-F297 HydrophobicContact CG2-CE1 4.01Å; V262-F297 HydrophobicContact CB-CZ 4.19Å; V262-F297 HydrophobicContact CG1-CE2 4.16Å; V262-F297 HydrophobicContact CG1-CZ 4.18Å; V262-F297 HydrophobicContact CG2-CZ 4.21Å; L293-F297 HydrophobicContact CB-CD2 4.35Å; L293-F297 HydrophobicContact CD2-CD2 3.72Å; L293-F297 HydrophobicContact CD2-CE2 3.62Å; L293-F297 PolarHBondContact O-N 3.43Å; F297-Q301 HydrophobicContact CD1-CG 4.39Å; F297-L302 HydrophobicContact CB-CB 4.02Å; F297-L302 HydrophobicContact CB-CD1 4.15Å; F297-L305 HydrophobicContact CB-CD1 4.3Å; F297-L305 HydrophobicContact CD1-CD1 3.85Å; F297-L305 HydrophobicContact CD2-CD1 3.71Å; F297-L305 HydrophobicContact CE1-CD1 4.09Å; F297-L305 HydrophobicContact CE2-CD1 3.97Å; F297-L305 HydrophobicContact CG-CD1 3.66Å; F297-L305 HydrophobicContact CZ-CD1 4.15Å | ||
| 298 | K | 96.5 | Very high | 97.5 | Very high | 177 Ų | 177 | 46.1 Ų | 46.1 | 77% | 0.77 | 23% | 0.234 | S | C | * | . | trans | -138.8 | 169.8 | 178.9 | -63.9 | -173.5 | -178.7 | 179.8 | 0 | 111.1 | L302 | K298-L302 PolarHBondContact O-N 3.03Š| ||
| 299 | G | 95.7 | Very high | 97.5 | Very high | 45 Ų | 45 | 45.9 Ų | 45.9 | 46% | 0.464 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | 60.5 | -150.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q301 L302 L303 | G299-Q301 PolarHBondContact O-N 2.95Å; G299-L302 WeakPolarHBondContact O-CB 3.4Å; G299-L302 PolarHBondContact O-N 3.29Å; G299-L302 VanDerWaalsContact O-N 3.14Å; G299-L303 PolarHBondContact O-N 2.79Å; G299-L303 VanDerWaalsContact O-N 3.11Å |
| 300 | E | 95.4 | Very high | 97.2 | Very high | 89 Ų | 89 | 50.3 Ų | 50.3 | 42% | 0.416 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.3 | -26.4 | -176.9 | -65.7 | 80.9 | -178.4 | 0 | 0 | 112.7 | A41 L83 L303 A304 | A41-E300 HydrophobicContact CB-CG 3.95Å; L83-E300 HydrophobicContact CD1-CB 4.16Å; L83-E300 HydrophobicContact CD2-CB 3.58Å; L83-E300 HydrophobicContact CD2-CG 4.38Å; L83-E300 HydrophobicContact CG-CB 4.49Å; E300-L303 PolarHBondContact O-N 2.84Å; E300-A304 WeakPolarHBondContact O-CB 3.42Å; E300-A304 PolarHBondContact O-N 3.02Å |
| 301 | Q | 95.8 | Very high | 96.8 | Very high | 31 Ų | 31 | 50.4 Ų | 50.4 | 15% | 0.145 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.8 | -45 | 173.1 | -178.6 | 170.3 | 5.9 | 0 | 0 | 111.7 | F297 G299 L303 A304 L305 | F297-Q301 HydrophobicContact CD1-CG 4.39Å; G299-Q301 PolarHBondContact O-N 2.95Å; Q301-L303 VanDerWaalsContact C-N 3.32Å; Q301-A304 PolarHBondContact O-N 3.01Å; Q301-L305 HydrophobicContact CG-CD1 4.19Å; Q301-L305 WeakPolarHBondContact O-CG 3.44Å; Q301-L305 PolarHBondContact O-N 3.12Å |
| 302 | L | 97.6 | Very high | 96.6 | Very high | 26 Ų | 26 | 52.8 Ų | 52.8 | 14% | 0.136 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 172.4 | 174.2 | 63.7 | 0 | 0 | 0 | 110.4 | L293 Q294 F297 K298 G299 A304 L305 Q306 | L293-L302 VanDerWaalsContact C-CD1 3.49Å; L293-L302 HydrophobicContact CB-CD1 4.09Å; L293-L302 WeakPolarHBondContact O-CD1 3.42Å; Q294-L302 HydrophobicContact CG-CD1 4.23Å; Q294-L302 HydrophobicContact CG-CD2 4.37Å; F297-L302 HydrophobicContact CB-CB 4.02Å; F297-L302 HydrophobicContact CB-CD1 4.15Å; K298-L302 PolarHBondContact O-N 3.03Å; G299-L302 WeakPolarHBondContact O-CB 3.4Å; G299-L302 PolarHBondContact O-N 3.29Å; G299-L302 VanDerWaalsContact O-N 3.14Å; L302-A304 VanDerWaalsContact C-N 3.25Å; L302-A304 PolarHBondContact O-N 3.18Å; L302-L305 PolarHBondContact O-N 3.02Å; L302-Q306 HydrophobicContact CD1-CG 3.65Å; L302-Q306 HydrophobicContact CG-CG 4.14Å; L302-Q306 WeakPolarHBondContact O-CB 3.49Å; L302-Q306 VanDerWaalsContact O-CG 3.31Å; L302-Q306 WeakPolarHBondContact O-CG 3.19Å; L302-Q306 PolarHBondContact O-N 3.16Å |
| 303 | L | 97.3 | Very high | 95.7 | Very high | 88 Ų | 88 | 56.6 Ų | 56.6 | 46% | 0.461 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.9 | -43 | 178.7 | -65.9 | 178 | 0 | 0 | 0 | 111.5 | V45 G299 E300 Q301 A307 | V45-L303 HydrophobicContact CG1-CB 4.38Å; G299-L303 PolarHBondContact O-N 2.79Å; G299-L303 VanDerWaalsContact O-N 3.11Å; E300-L303 PolarHBondContact O-N 2.84Å; Q301-L303 VanDerWaalsContact C-N 3.32Å; L303-A307 VanDerWaalsContact O-CB 3.24Å; L303-A307 WeakPolarHBondContact O-CB 3.49Å; L303-A307 PolarHBondContact O-N 2.82Å |
| 304 | A | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.7 | -49.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V45 T49 L83 L86 E300 Q301 L302 Q306 A307 I308 | V45-A304 HydrophobicContact CB-CB 4.47Å; V45-A304 VanDerWaalsContact CG1-CA 3.47Å; V45-A304 HydrophobicContact CG1-CB 3.7Å; V45-A304 HydrophobicContact CG2-CB 3.94Å; T49-A304 HydrophobicContact CG2-CB 4.33Å; L83-A304 HydrophobicContact CD1-CB 4.36Å; L86-A304 HydrophobicContact CD2-CB 3.48Å; L86-A304 VanDerWaalsContact CD2-CB 3.48Å; L86-A304 HydrophobicContact CG-CB 4.44Å; E300-A304 WeakPolarHBondContact O-CB 3.42Å; E300-A304 PolarHBondContact O-N 3.02Å; Q301-A304 PolarHBondContact O-N 3.01Å; L302-A304 VanDerWaalsContact C-N 3.25Å; L302-A304 PolarHBondContact O-N 3.18Å; A304-Q306 VanDerWaalsContact C-N 3.32Å; A304-Q306 PolarHBondContact O-N 2.94Å; A304-A307 PolarHBondContact O-N 2.57Å; A304-A307 VanDerWaalsContact O-N 3.17Å; A304-I308 VanDerWaalsContact O-CG1 3.32Å; A304-I308 WeakPolarHBondContact O-CG1 3.39Å; A304-I308 PolarHBondContact O-N 3.28Å |
| 305 | L | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 178.6 | -68.2 | 175.2 | 0 | 0 | 0 | 111.4 | L86 V262 Q263 M266 L293 F297 Q301 L302 I308 C309 | L86-L305 HydrophobicContact CD1-CD2 4.44Å; L86-L305 HydrophobicContact CD2-CD2 3.91Å; L86-L305 HydrophobicContact CD2-CG 4.08Å; V262-L305 HydrophobicContact CG1-CD1 4.3Å; V262-L305 HydrophobicContact CG1-CD2 4.3Å; Q263-L305 HydrophobicContact CG-CD2 4.21Å; M266-L305 HydrophobicContact CE-CB 4.45Å; M266-L305 WeakPolarHBondContact CE-O 3.45Å; M266-L305 HydrophobicContact SD-CB 4.46Å; M266-L305 HydrophobicContact SD-CD2 3.89Å; L293-L305 HydrophobicContact CD1-CB 4.17Å; L293-L305 HydrophobicContact CD2-CB 4.34Å; L293-L305 HydrophobicContact CD2-CD1 4.17Å; F297-L305 HydrophobicContact CB-CD1 4.3Å; F297-L305 HydrophobicContact CD1-CD1 3.85Å; F297-L305 HydrophobicContact CD2-CD1 3.71Å; F297-L305 HydrophobicContact CE1-CD1 4.09Å; F297-L305 HydrophobicContact CE2-CD1 3.97Å; F297-L305 HydrophobicContact CG-CD1 3.66Å; F297-L305 HydrophobicContact CZ-CD1 4.15Å; Q301-L305 HydrophobicContact CG-CD1 4.19Å; Q301-L305 WeakPolarHBondContact O-CG 3.44Å; Q301-L305 PolarHBondContact O-N 3.12Å; L302-L305 PolarHBondContact O-N 3.02Å; L305-I308 PolarHBondContact O-N 2.91Å; L305-C309 WeakPolarHBondContact O-CB 3.31Å; L305-C309 PolarHBondContact O-N 2.93Å |
| 306 | Q | 97.9 | Very high | 95.4 | Very high | 18 Ų | 18 | 53.2 Ų | 53.2 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.3 | -36.2 | 175.1 | -71.6 | -165.7 | -57.3 | 0 | 0 | 113 | Y290 Q294 L302 A304 I308 C309 R310 | Y290-Q306 VanDerWaalsContact CD1-NE2 3.32Å; Y290-Q306 HydrophobicContact CD2-CB 4.26Å; Y290-Q306 HydrophobicContact CD2-CG 4.26Å; Y290-Q306 HydrophobicContact CE2-CB 3.66Å; Y290-Q306 HydrophobicContact CE2-CG 3.93Å; Y290-Q306 PolarHBondContact OH-NE2 3.46Å; Q294-Q306 VanDerWaalsContact CD-NE2 3.26Å; L302-Q306 HydrophobicContact CD1-CG 3.65Å; L302-Q306 HydrophobicContact CG-CG 4.14Å; L302-Q306 WeakPolarHBondContact O-CB 3.49Å; L302-Q306 VanDerWaalsContact O-CG 3.31Å; L302-Q306 WeakPolarHBondContact O-CG 3.19Å; L302-Q306 PolarHBondContact O-N 3.16Å; A304-Q306 VanDerWaalsContact C-N 3.32Å; A304-Q306 PolarHBondContact O-N 2.94Å; Q306-I308 VanDerWaalsContact C-N 3.32Å; Q306-C309 CarbonylContact O-C 3.26Å; Q306-C309 PolarHBondContact O-N 3.43Å; Q306-R310 WeakPolarHBondContact O-CA 3.29Å; Q306-R310 PolarHBondContact O-N 3.14Å |
| 307 | A | 97.8 | Very high | 95.3 | Very high | 28 Ų | 28 | 49.5 Ų | 49.5 | 23% | 0.231 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.4 | -34.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | T49 L303 A304 R310 | T49-A307 HydrophobicContact CG2-CB 4.03Å; T49-A307 VanDerWaalsContact OG1-CB 3.26Å; T49-A307 WeakPolarHBondContact OG1-CB 3.2Å; L303-A307 VanDerWaalsContact O-CB 3.24Å; L303-A307 WeakPolarHBondContact O-CB 3.49Å; L303-A307 PolarHBondContact O-N 2.82Å; A304-A307 PolarHBondContact O-N 2.57Å; A304-A307 VanDerWaalsContact O-N 3.17Å; A307-R310 WeakPolarHBondContact O-CD 3.34Å; A307-R310 PolarHBondContact O-NE 2.7Å |
| 308 | I | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.1 | -43.9 | 170.1 | -62.3 | 162.1 | 0 | 0 | 0 | 110.3 | T16 I17 T49 L86 L90 M266 V267 L274 A304 L305 Q306 R310 | T16-I308 VanDerWaalsContact CB-O 3.23Å; T16-I308 WeakPolarHBondContact CB-O 3.41Å; T16-I308 PolarHBondContact OG1-O 3.17Å; I17-I308 HydrophobicContact CD1-CG1 4.26Å; I17-I308 HydrophobicContact CD1-CG2 4.37Å; T49-I308 HydrophobicContact CG2-CG1 4.04Å; L86-I308 HydrophobicContact CD1-CD1 3.98Å; L90-I308 HydrophobicContact CD2-CD1 3.91Å; L90-I308 HydrophobicContact CD2-CG1 4.26Å; M266-I308 HydrophobicContact CB-CG2 4.15Å; M266-I308 HydrophobicContact CE-CB 4.15Å; M266-I308 HydrophobicContact CE-CG2 4.08Å; V267-I308 HydrophobicContact CG2-CD1 4.18Å; L274-I308 HydrophobicContact CD2-CG2 3.89Å; A304-I308 VanDerWaalsContact O-CG1 3.32Å; A304-I308 WeakPolarHBondContact O-CG1 3.39Å; A304-I308 PolarHBondContact O-N 3.28Å; L305-I308 PolarHBondContact O-N 2.91Å; Q306-I308 VanDerWaalsContact C-N 3.32Å; I308-R310 VanDerWaalsContact C-N 3.28Å; I308-R310 PolarHBondContact O-N 2.99Å |
| 309 | C | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.4 | -31.3 | 178.1 | -166.5 | 0 | 0 | 0 | 0 | 112.7 | M266 R278 Y290 L293 L305 Q306 S311 | M266-C309 HydrophobicContact CE-CB 3.78Å; R278-C309 PolarHBondContact NH1-O 2.91Å; Y290-C309 HydrophobicContact CD2-CB 4.18Å; L293-C309 HydrophobicContact CD1-CB 4.05Å; L305-C309 WeakPolarHBondContact O-CB 3.31Å; L305-C309 PolarHBondContact O-N 2.93Å; Q306-C309 CarbonylContact O-C 3.26Å; Q306-C309 PolarHBondContact O-N 3.43Å; C309-S311 VanDerWaalsContact C-N 3.34Å; C309-S311 PolarHBondContact O-N 3.2Å |
| 310 | R | 93 | Very high | 95 | Very high | 94 Ų | 94 | 43.6 Ų | 43.6 | 36% | 0.355 | 22% | 0.223 | S | C | . | . | trans | 73.6 | -50.4 | -178.6 | -63.2 | -70.8 | -179.6 | 168.4 | -0.9 | 117.3 | T16 T49 N50 Q306 A307 I308 | T16-R310 WeakPolarHBondContact O-CG 3.45Å; T16-R310 PolarHBondContact O-NE 3.44Å; T49-R310 PolarHBondContact O-NH2 3.48Å; N50-R310 VanDerWaalsContact OD1-CZ 3.3Å; N50-R310 PolarHBondContact OD1-NH1 3.39Å; N50-R310 PolarHBondContact OD1-NH2 2.95Å; Q306-R310 WeakPolarHBondContact O-CA 3.29Å; Q306-R310 PolarHBondContact O-N 3.14Å; A307-R310 WeakPolarHBondContact O-CD 3.34Å; A307-R310 PolarHBondContact O-NE 2.7Å; I308-R310 VanDerWaalsContact C-N 3.28Å; I308-R310 PolarHBondContact O-N 2.99Å | ||
| 311 | S | 90 | Very high | 94.9 | Very high | 55 Ų | 55 | 40.1 Ų | 40.1 | 39% | 0.385 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -156.4 | 169.6 | -170.3 | 73.2 | 0 | 0 | 0 | 0 | 112.3 | R278 Y290 C309 | R278-S311 PolarHBondContact NH2-O 3.13Å; R278-S311 PolarHBondContact NH2-OG 3Å; R278-S311 VanDerWaalsContact NH2-OG 3.16Å; Y290-S311 WeakPolarHBondContact CB-O 3.41Å; C309-S311 VanDerWaalsContact C-N 3.34Å; C309-S311 PolarHBondContact O-N 3.2Å |
| 312 | E | 92.6 | Very high | 94.9 | Very high | 85 Ų | 85 | 40.8 Ų | 40.8 | 40% | 0.397 | 21% | 0.214 | S | C | . | . | trans | -60 | 160.4 | 160 | -69.7 | -68 | 162.3 | 0 | 0 | 111.8 | R278 S288 Y290 S291 | R278-E312 PolarHBondContact NH2-O 3.09Å; S288-E312 WeakPolarHBondContact CB-OE2 3.42Å; S288-E312 PolarHBondContact OG-OE2 3.42Å; Y290-E312 HydrophobicContact CD1-CG 4.11Å; Y290-E312 WeakPolarHBondContact CD1-OE1 3.38Å; S291-E312 PolarHBondContact OG-OE1 3.27Å; S291-E312 PolarHBondContact OG-OE2 3.49Å | ||
| 313 | D | 80.6 | Confident | 94.6 | Very high | 96 Ų | 96 | 42.2 Ų | 42.2 | 51% | 0.513 | 22% | 0.221 | S | C | . | . | trans | -105.7 | 0 | 179.5 | -66.7 | -59.5 | 0 | 0 | 0 | 111.7 | R278 L282 | R278-D313 WeakPolarHBondContact CB-OD1 3.12Å; R278-D313 IonicContact CZ-OD1 3.96Å; R278-D313 IonicContact NE-OD1 3.87Å; R278-D313 PolarHBondContact NE-OD1 2.77Å; R278-D313 IonicContact NE-OD2 2.64Å; R278-D313 IonicContact NH2-OD1 2.69Å; R278-D313 PolarHBondContact NH2-OD1 2.85Å; L282-D313 HydrophobicContact CD2-CB 3.82Å |
Retrieved 313 of 313 residues in 234.7 ms
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