| 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 | 40.1 | Very low | 55.8 | Low | 241 Ų | 241 | 120.1 Ų | 120.1 | 100% | 1.187 | 58% | 0.576 | S | S | * | * | 0 | 98.7 | 0 | -82.5 | 168.5 | 148.5 | 0 | 0 | 107.5 | |||||
| 2 | L | 47.4 | Very low | 56.1 | Low | 179 Ų | 179 | 113.3 Ų | 113.3 | 94% | 0.937 | 55% | 0.545 | S | S | * | . | trans | -78.8 | 121.7 | 170.8 | -88 | 147.7 | 0 | 0 | 0 | 106.6 | S4 | L2-S4 PolarHBondContact O-N 3.22Š| ||
| 3 | F | 50 | Low | 56.4 | Low | 134 Ų | 134 | 105.4 Ų | 105.4 | 59% | 0.588 | 51% | 0.511 | S | S | * | . | trans | -45.3 | 131.6 | 176.1 | -76.9 | -86.6 | 0 | 0 | 0 | 110.4 | L5 W11 | F3-L5 PolarHBondContact O-N 2.96Å; F3-W11 AromaticContact CE1-CH2 3.97Å; F3-W11 HydrophobicContact CE1-CH2 3.97Å; F3-W11 AromaticContact CE1-CZ3 3.87Å; F3-W11 HydrophobicContact CE1-CZ3 3.87Å | ||
| 4 | S | 66.9 | Low | 56.9 | Low | 58 Ų | 58 | 98.6 Ų | 98.6 | 41% | 0.406 | 48% | 0.478 | S | S | . | . | trans | -62.7 | 134.1 | 175.3 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | L2 R6 E7 L8 | L2-S4 PolarHBondContact O-N 3.22Å; S4-R6 PolarHBondContact O-N 3.37Å; S4-E7 PolarHBondContact N-OE2 3.26Å; S4-E7 WeakPolarHBondContact O-CA 3.49Å; S4-E7 WeakPolarHBondContact O-CB 3.47Å; S4-E7 PolarHBondContact O-N 3.28Å; S4-L8 PolarHBondContact O-N 3.03Å; S4-L8 VanDerWaalsContact O-N 3.08Å | ||
| 5 | L | 55.3 | Low | 57.8 | Low | 114 Ų | 114 | 94 Ų | 94 | 60% | 0.597 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -51.2 | -29.4 | 176.7 | -87 | 161.3 | 0 | 0 | 0 | 112.1 | F3 V9 I19 | F3-L5 PolarHBondContact O-N 2.96Å; L5-V9 VanDerWaalsContact O-CB 3.26Å; L5-V9 WeakPolarHBondContact O-CB 3.41Å; L5-V9 WeakPolarHBondContact O-CG2 3.17Å; L5-V9 PolarHBondContact O-N 3.25Å; L5-I19 HydrophobicContact CD2-CD1 4.42Å |
| 6 | R | 58.8 | Low | 58.8 | Low | 205 Ų | 205 | 94.2 Ų | 94.2 | 77% | 0.774 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.3 | -42.4 | 174.3 | -71.9 | -175 | -177.2 | -142.8 | 0.6 | 113 | S4 V9 Q10 | S4-R6 PolarHBondContact O-N 3.37Å; R6-V9 PolarHBondContact O-N 3.29Å; R6-Q10 WeakPolarHBondContact O-CB 3.38Å; R6-Q10 PolarHBondContact O-N 3.36Å |
| 7 | E | 58.8 | Low | 59.8 | Low | 92 Ų | 92 | 94.8 Ų | 94.8 | 43% | 0.43 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 177.5 | -69.7 | 169.7 | 164.1 | 0 | 0 | 110.3 | S4 Q10 W11 | S4-E7 PolarHBondContact N-OE2 3.26Å; S4-E7 WeakPolarHBondContact O-CA 3.49Å; S4-E7 WeakPolarHBondContact O-CB 3.47Å; S4-E7 PolarHBondContact O-N 3.28Å; E7-Q10 CarbonylContact O-C 3.6Å; E7-Q10 PolarHBondContact O-N 3.49Å; E7-W11 VanDerWaalsContact O-CB 3.27Å; E7-W11 WeakPolarHBondContact O-CB 3.48Å; E7-W11 PolarHBondContact O-N 3.16Å |
| 8 | L | 58.1 | Low | 60.8 | Low | 67 Ų | 67 | 89.7 Ų | 89.7 | 35% | 0.351 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 175.8 | -164.7 | 73.5 | 0 | 0 | 0 | 111.4 | S4 Q10 W11 L12 | S4-L8 PolarHBondContact O-N 3.03Å; S4-L8 VanDerWaalsContact O-N 3.08Å; L8-Q10 VanDerWaalsContact C-N 3.28Å; L8-Q10 PolarHBondContact O-N 3.5Å; L8-W11 PolarHBondContact O-N 3.09Å; L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 PolarHBondContact O-N 3.4Å |
| 9 | V | 61.9 | Low | 61.9 | Low | 37 Ų | 37 | 87.5 Ų | 87.5 | 22% | 0.224 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.2 | -38.7 | 173.8 | 161.8 | 0 | 0 | 0 | 0 | 111.4 | L5 R6 G13 F14 I19 | L5-V9 VanDerWaalsContact O-CB 3.26Å; L5-V9 WeakPolarHBondContact O-CB 3.41Å; L5-V9 WeakPolarHBondContact O-CG2 3.17Å; L5-V9 PolarHBondContact O-N 3.25Å; R6-V9 PolarHBondContact O-N 3.29Å; V9-G13 CarbonylContact O-C 3.6Å; V9-G13 WeakPolarHBondContact O-CA 3.46Å; V9-G13 PolarHBondContact O-N 3.01Å; V9-F14 WeakPolarHBondContact CG1-O 3.34Å; V9-F14 WeakPolarHBondContact CG2-O 3.45Å; V9-I19 HydrophobicContact CG2-CD1 3.93Å |
| 10 | Q | 60 | Low | 63 | Low | 123 Ų | 123 | 89.5 Ų | 89.5 | 58% | 0.575 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -72.7 | -34.3 | 178.9 | -167.6 | 162.9 | -20 | 0 | 0 | 112.4 | R6 E7 L8 | R6-Q10 WeakPolarHBondContact O-CB 3.38Å; R6-Q10 PolarHBondContact O-N 3.36Å; E7-Q10 CarbonylContact O-C 3.6Å; E7-Q10 PolarHBondContact O-N 3.49Å; L8-Q10 VanDerWaalsContact C-N 3.28Å; L8-Q10 PolarHBondContact O-N 3.5Å |
| 11 | W | 56.9 | Low | 64 | Low | 71 Ų | 71 | 86.3 Ų | 86.3 | 27% | 0.269 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -84.8 | -38.7 | -178 | -72.6 | 23.8 | 0 | 0 | 0 | 113.4 | F3 E7 L8 R131 A132 | F3-W11 AromaticContact CE1-CH2 3.97Å; F3-W11 HydrophobicContact CE1-CH2 3.97Å; F3-W11 AromaticContact CE1-CZ3 3.87Å; F3-W11 HydrophobicContact CE1-CZ3 3.87Å; E7-W11 VanDerWaalsContact O-CB 3.27Å; E7-W11 WeakPolarHBondContact O-CB 3.48Å; E7-W11 PolarHBondContact O-N 3.16Å; L8-W11 PolarHBondContact O-N 3.09Å; W11-R131 WeakPolarHBondContact O-CD 3.43Å; W11-R131 VanDerWaalsContact O-CZ 3.29Å; W11-R131 PolarHBondContact O-NH1 2.97Å; W11-A132 HydrophobicContact CD2-CB 4.39Å; W11-A132 HydrophobicContact CE3-CB 3.81Å; W11-A132 HydrophobicContact CH2-CB 3.43Å; W11-A132 VanDerWaalsContact CH2-CB 3.43Å; W11-A132 HydrophobicContact CZ2-CB 4.04Å; W11-A132 HydrophobicContact CZ3-CB 3.3Å |
| 12 | L | 58.8 | Low | 66.2 | Low | 39 Ų | 39 | 76.6 Ų | 76.6 | 20% | 0.204 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -82 | -28.7 | 177.3 | -132.6 | 80 | 0 | 0 | 0 | 110 | L8 F14 L128 | L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 PolarHBondContact O-N 3.4Å; L12-F14 HydrophobicContact CB-CB 4.41Å; L12-F14 HydrophobicContact CB-CD2 3.64Å; L12-F14 HydrophobicContact CB-CE2 4.46Å; L12-F14 HydrophobicContact CB-CG 4.49Å; L12-F14 HydrophobicContact CD2-CB 4.37Å; L12-F14 HydrophobicContact CD2-CD2 3.27Å; L12-F14 HydrophobicContact CD2-CE2 3.71Å; L12-F14 HydrophobicContact CD2-CG 4.03Å; L12-F14 HydrophobicContact CG-CD2 3.4Å; L12-F14 HydrophobicContact CG-CE2 3.8Å; L12-F14 HydrophobicContact CG-CG 4.47Å; L12-F14 WeakPolarHBondContact O-CD2 3.43Å; L12-F14 PolarHBondContact O-N 3.08Å; L12-L128 HydrophobicContact CD1-CD1 4.14Å; L12-L128 HydrophobicContact CD1-CD2 3.63Å |
| 13 | G | 60.4 | Low | 68 | Low | 10 Ų | 10 | 73.3 Ų | 73.3 | 10% | 0.103 | 36% | 0.359 | C | S | . | . | trans | 77.1 | 1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V9 | V9-G13 CarbonylContact O-C 3.6Å; V9-G13 WeakPolarHBondContact O-CA 3.46Å; V9-G13 PolarHBondContact O-N 3.01Å | ||
| 14 | F | 63.6 | Low | 69.8 | Low | 11 Ų | 11 | 71.1 Ų | 71.1 | 5% | 0.048 | 35% | 0.353 | C | S | . | . | trans | -80.4 | 140.3 | -179.2 | -77.4 | -90.9 | 0 | 0 | 0 | 111.4 | V9 L12 E18 I87 I90 L91 | V9-F14 WeakPolarHBondContact CG1-O 3.34Å; V9-F14 WeakPolarHBondContact CG2-O 3.45Å; L12-F14 HydrophobicContact CB-CB 4.41Å; L12-F14 HydrophobicContact CB-CD2 3.64Å; L12-F14 HydrophobicContact CB-CE2 4.46Å; L12-F14 HydrophobicContact CB-CG 4.49Å; L12-F14 HydrophobicContact CD2-CB 4.37Å; L12-F14 HydrophobicContact CD2-CD2 3.27Å; L12-F14 HydrophobicContact CD2-CE2 3.71Å; L12-F14 HydrophobicContact CD2-CG 4.03Å; L12-F14 HydrophobicContact CG-CD2 3.4Å; L12-F14 HydrophobicContact CG-CE2 3.8Å; L12-F14 HydrophobicContact CG-CG 4.47Å; L12-F14 WeakPolarHBondContact O-CD2 3.43Å; L12-F14 PolarHBondContact O-N 3.08Å; F14-E18 WeakPolarHBondContact CA-OE2 3.43Å; F14-E18 HydrophobicContact CB-CB 4.32Å; F14-E18 WeakPolarHBondContact CB-OE2 3.35Å; F14-E18 HydrophobicContact CD1-CB 3.73Å; F14-E18 HydrophobicContact CD1-CG 4.21Å; F14-E18 WeakPolarHBondContact CD1-OE2 3.37Å; F14-I87 HydrophobicContact CE1-CG2 4.24Å; F14-I87 HydrophobicContact CE2-CG2 4.38Å; F14-I87 HydrophobicContact CZ-CG2 4.04Å; F14-I90 HydrophobicContact CE2-CG2 4.01Å; F14-I90 HydrophobicContact CZ-CG2 4.27Å; F14-L91 HydrophobicContact CE1-CD1 4.1Å; F14-L91 HydrophobicContact CZ-CD1 4.32Å | ||
| 15 | A | 70 | Confident | 70.7 | Confident | 29 Ų | 29 | 68.7 Ų | 68.7 | 24% | 0.24 | 34% | 0.337 | C | S | . | . | trans | -68.7 | 152.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F17 E18 I19 F63 | A15-F17 PolarHBondContact O-N 2.99Å; A15-F17 VanDerWaalsContact O-N 3.08Å; A15-E18 HydrophobicContact CB-CG 4.39Å; A15-E18 PolarHBondContact N-OE2 3.16Å; A15-E18 PolarHBondContact O-N 3.2Å; A15-I19 PolarHBondContact O-N 3.24Å; A15-F63 HydrophobicContact CB-CD1 4.42Å; A15-F63 HydrophobicContact CB-CE1 3.68Å; A15-F63 HydrophobicContact CB-CZ 4.37Å | ||
| 16 | T | 74.1 | Confident | 72.3 | Confident | 97 Ų | 97 | 67.8 Ų | 67.8 | 60% | 0.595 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -53.7 | -31.5 | 173.5 | -47.3 | 0 | 0 | 0 | 0 | 112.1 | I19 F20 | T16-I19 PolarHBondContact O-N 3.42Å; T16-F20 PolarHBondContact O-N 2.98Å; T16-F20 VanDerWaalsContact O-N 3.09Å |
| 17 | F | 75.4 | Confident | 73.6 | Confident | 105 Ų | 105 | 62.8 Ų | 62.8 | 46% | 0.461 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 174.8 | 179.7 | -107.2 | 0 | 0 | 0 | 113.3 | A15 I19 F20 L21 | A15-F17 PolarHBondContact O-N 2.99Å; A15-F17 VanDerWaalsContact O-N 3.08Å; F17-I19 VanDerWaalsContact C-N 3.35Å; F17-F20 WeakPolarHBondContact O-CB 3.12Å; F17-F20 PolarHBondContact O-N 3.47Å; F17-L21 HydrophobicContact CD1-CD1 3.83Å; F17-L21 HydrophobicContact CE1-CD1 3.22Å; F17-L21 HydrophobicContact CE1-CG 4.22Å; F17-L21 HydrophobicContact CE2-CD1 4.44Å; F17-L21 HydrophobicContact CZ-CD1 3.58Å; F17-L21 HydrophobicContact CZ-CG 4.17Å; F17-L21 PolarHBondContact O-N 3.31Å |
| 18 | E | 78.1 | Confident | 75 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.8 | -38.3 | 179.2 | -65.9 | 170.5 | 140.8 | 0 | 0 | 110.7 | F14 A15 F20 L21 H22 F63 T64 | F14-E18 WeakPolarHBondContact CA-OE2 3.43Å; F14-E18 HydrophobicContact CB-CB 4.32Å; F14-E18 WeakPolarHBondContact CB-OE2 3.35Å; F14-E18 HydrophobicContact CD1-CB 3.73Å; F14-E18 HydrophobicContact CD1-CG 4.21Å; F14-E18 WeakPolarHBondContact CD1-OE2 3.37Å; A15-E18 HydrophobicContact CB-CG 4.39Å; A15-E18 PolarHBondContact N-OE2 3.16Å; A15-E18 PolarHBondContact O-N 3.2Å; E18-F20 VanDerWaalsContact C-N 3.33Å; E18-F20 PolarHBondContact O-N 3.33Å; E18-L21 WeakPolarHBondContact O-CB 3.37Å; E18-L21 PolarHBondContact O-N 3.07Å; E18-H22 PolarHBondContact O-CD2 3.3Å; E18-H22 PolarHBondContact O-N 2.94Å; E18-F63 HydrophobicContact CG-CD1 4.18Å; E18-T64 PolarHBondContact OE1-OG1 2.89Å |
| 19 | I | 80.5 | Confident | 76.4 | Confident | 47 Ų | 47 | 59.9 Ų | 59.9 | 24% | 0.241 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 172.9 | -61.2 | 173.3 | 0 | 0 | 0 | 110.5 | L5 V9 A15 T16 F17 L21 H22 L23 | L5-I19 HydrophobicContact CD2-CD1 4.42Å; V9-I19 HydrophobicContact CG2-CD1 3.93Å; A15-I19 PolarHBondContact O-N 3.24Å; T16-I19 PolarHBondContact O-N 3.42Å; F17-I19 VanDerWaalsContact C-N 3.35Å; I19-L21 VanDerWaalsContact C-N 3.35Å; I19-L21 PolarHBondContact O-N 3.38Å; I19-H22 PolarHBondContact O-N 3.01Å; I19-L23 WeakPolarHBondContact O-CB 3.28Å; I19-L23 PolarHBondContact O-N 3.17Å |
| 20 | F | 83.9 | Confident | 77.5 | Confident | 127 Ų | 127 | 60.5 Ų | 60.5 | 56% | 0.557 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.9 | -41 | 177.3 | -178 | -101.5 | 0 | 0 | 0 | 112.2 | T16 F17 E18 L23 L24 | T16-F20 PolarHBondContact O-N 2.98Å; T16-F20 VanDerWaalsContact O-N 3.09Å; F17-F20 WeakPolarHBondContact O-CB 3.12Å; F17-F20 PolarHBondContact O-N 3.47Å; E18-F20 VanDerWaalsContact C-N 3.33Å; E18-F20 PolarHBondContact O-N 3.33Å; F20-L23 PolarHBondContact O-N 2.97Å; F20-L24 WeakPolarHBondContact O-CB 3.5Å; F20-L24 PolarHBondContact O-N 2.96Å |
| 21 | L | 85.5 | Confident | 78.8 | Confident | 23 Ų | 23 | 58.2 Ų | 58.2 | 12% | 0.12 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 174.9 | -102.7 | 164.3 | 0 | 0 | 0 | 112.6 | F17 E18 I19 L23 L24 A25 L59 | F17-L21 HydrophobicContact CD1-CD1 3.83Å; F17-L21 HydrophobicContact CE1-CD1 3.22Å; F17-L21 HydrophobicContact CE1-CG 4.22Å; F17-L21 HydrophobicContact CE2-CD1 4.44Å; F17-L21 HydrophobicContact CZ-CD1 3.58Å; F17-L21 HydrophobicContact CZ-CG 4.17Å; F17-L21 PolarHBondContact O-N 3.31Å; E18-L21 WeakPolarHBondContact O-CB 3.37Å; E18-L21 PolarHBondContact O-N 3.07Å; I19-L21 VanDerWaalsContact C-N 3.35Å; I19-L21 PolarHBondContact O-N 3.38Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L21-L24 PolarHBondContact O-N 2.74Å; L21-A25 WeakPolarHBondContact O-CB 3.49Å; L21-A25 PolarHBondContact O-N 3.13Å; L21-L59 HydrophobicContact CD1-CB 4.34Å; L21-L59 HydrophobicContact CD1-CD2 3.55Å; L21-L59 HydrophobicContact CD1-CG 3.9Å; L21-L59 HydrophobicContact CD2-CD2 3.72Å; L21-L59 HydrophobicContact CG-CD2 4.27Å |
| 22 | H | 84.8 | Confident | 80.1 | Confident | 38 Ų | 38 | 56.6 Ų | 56.6 | 18% | 0.176 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.5 | -36.2 | 177.1 | -73.4 | -58.4 | 0 | 0 | 0 | 112.2 | E18 I19 A25 L26 S60 | E18-H22 PolarHBondContact O-CD2 3.3Å; E18-H22 PolarHBondContact O-N 2.94Å; I19-H22 PolarHBondContact O-N 3.01Å; H22-A25 PolarHBondContact O-N 3.36Å; H22-L26 WeakPolarHBondContact O-CB 3.26Å; H22-L26 PolarHBondContact O-N 2.89Å; H22-S60 PolarHBondContact NE2-OG 2.9Å; H22-S60 VanDerWaalsContact NE2-OG 3.14Å |
| 23 | L | 85.9 | Confident | 81.3 | Confident | 109 Ų | 109 | 57.8 Ų | 57.8 | 57% | 0.571 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.3 | -43.7 | 174.4 | -173.6 | 67.6 | 0 | 0 | 0 | 111.5 | I19 F20 L21 L26 L27 | I19-L23 WeakPolarHBondContact O-CB 3.28Å; I19-L23 PolarHBondContact O-N 3.17Å; F20-L23 PolarHBondContact O-N 2.97Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L23-L26 PolarHBondContact O-N 2.73Å; L23-L27 PolarHBondContact O-N 2.9Å |
| 24 | L | 87.1 | Confident | 82.4 | Confident | 88 Ų | 88 | 61.6 Ų | 61.6 | 46% | 0.461 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 175.7 | -175.3 | 68.3 | 0 | 0 | 0 | 111 | F20 L21 L26 L27 V28 | F20-L24 WeakPolarHBondContact O-CB 3.5Å; F20-L24 PolarHBondContact O-N 2.96Å; L21-L24 PolarHBondContact O-N 2.74Å; L24-L26 VanDerWaalsContact C-N 3.31Å; L24-L26 PolarHBondContact O-N 3.49Å; L24-L27 WeakPolarHBondContact O-CB 3.11Å; L24-L27 PolarHBondContact O-N 3.39Å; L24-V28 WeakPolarHBondContact O-CG2 3.39Å; L24-V28 PolarHBondContact O-N 3.18Å |
| 25 | A | 87.7 | Confident | 83.3 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 6% | 0.058 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L21 H22 L27 V28 F29 P52 F53 A56 | L21-A25 WeakPolarHBondContact O-CB 3.49Å; L21-A25 PolarHBondContact O-N 3.13Å; H22-A25 PolarHBondContact O-N 3.36Å; A25-L27 VanDerWaalsContact C-N 3.34Å; A25-L27 PolarHBondContact O-N 3.5Å; A25-V28 PolarHBondContact O-N 3.09Å; A25-F29 VanDerWaalsContact O-CB 3.22Å; A25-F29 WeakPolarHBondContact O-CB 3.13Å; A25-F29 PolarHBondContact O-N 2.76Å; A25-P52 HydrophobicContact CB-CB 4.47Å; A25-P52 WeakPolarHBondContact CB-O 3.34Å; A25-F53 HydrophobicContact CB-CD1 4.13Å; A25-F53 HydrophobicContact CB-CE1 4.46Å; A25-A56 HydrophobicContact CB-CB 3.59Å |
| 26 | L | 87.1 | Confident | 83.8 | Confident | 96 Ų | 96 | 65.9 Ų | 65.9 | 50% | 0.503 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 175.7 | -171.5 | 149.4 | 0 | 0 | 0 | 111.9 | H22 L23 L24 S30 F53 | H22-L26 WeakPolarHBondContact O-CB 3.26Å; H22-L26 PolarHBondContact O-N 2.89Å; L23-L26 PolarHBondContact O-N 2.73Å; L24-L26 VanDerWaalsContact C-N 3.31Å; L24-L26 PolarHBondContact O-N 3.49Å; L26-S30 WeakPolarHBondContact O-CB 3.46Å; L26-S30 PolarHBondContact O-N 2.95Å; L26-F53 HydrophobicContact CB-CE1 4.1Å; L26-F53 HydrophobicContact CB-CZ 4.21Å; L26-F53 HydrophobicContact CG-CZ 4.35Å |
| 27 | L | 87.6 | Confident | 84 | Confident | 100 Ų | 100 | 66.3 Ų | 66.3 | 52% | 0.524 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.4 | -47.1 | 175.8 | -162.4 | 164.8 | 0 | 0 | 0 | 111 | L23 L24 A25 F29 S30 V31 | L23-L27 PolarHBondContact O-N 2.9Å; L24-L27 WeakPolarHBondContact O-CB 3.11Å; L24-L27 PolarHBondContact O-N 3.39Å; A25-L27 VanDerWaalsContact C-N 3.34Å; A25-L27 PolarHBondContact O-N 3.5Å; L27-F29 VanDerWaalsContact C-N 3.32Å; L27-F29 PolarHBondContact O-N 3.28Å; L27-S30 PolarHBondContact O-N 3.25Å; L27-S30 PolarHBondContact O-OG 3.08Å; L27-V31 HydrophobicContact CD2-CG2 4.24Å; L27-V31 WeakPolarHBondContact O-CG2 3.19Å; L27-V31 PolarHBondContact O-N 3.49Å; L27-V31 VanDerWaalsContact O-N 3.17Å |
| 28 | V | 88.4 | Confident | 84.2 | Confident | 61 Ų | 61 | 67.6 Ų | 67.6 | 37% | 0.37 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 176.9 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | L24 A25 V31 L32 P52 | L24-V28 WeakPolarHBondContact O-CG2 3.39Å; L24-V28 PolarHBondContact O-N 3.18Å; A25-V28 PolarHBondContact O-N 3.09Å; V28-V31 PolarHBondContact O-N 3.43Å; V28-L32 HydrophobicContact CG1-CD1 3.84Å; V28-L32 WeakPolarHBondContact O-CD1 3.36Å; V28-L32 WeakPolarHBondContact O-CG 3.37Å; V28-L32 PolarHBondContact O-N 2.94Å; V28-P52 HydrophobicContact CB-CB 4.16Å; V28-P52 HydrophobicContact CB-CG 4.3Å; V28-P52 HydrophobicContact CG1-CB 3.97Å; V28-P52 HydrophobicContact CG1-CG 3.64Å |
| 29 | F | 87 | Confident | 83.9 | Confident | 36 Ų | 36 | 70.3 Ų | 70.3 | 16% | 0.158 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.8 | -44 | 174.6 | 173.9 | -94.4 | 0 | 0 | 0 | 112.2 | A25 L27 V31 L32 L33 V49 F50 F53 | A25-F29 VanDerWaalsContact O-CB 3.22Å; A25-F29 WeakPolarHBondContact O-CB 3.13Å; A25-F29 PolarHBondContact O-N 2.76Å; L27-F29 VanDerWaalsContact C-N 3.32Å; L27-F29 PolarHBondContact O-N 3.28Å; F29-V31 VanDerWaalsContact C-N 3.32Å; F29-V31 PolarHBondContact O-N 2.91Å; F29-L32 PolarHBondContact O-N 3.33Å; F29-L33 HydrophobicContact CE1-CB 4.39Å; F29-L33 HydrophobicContact CE1-CD1 3.71Å; F29-L33 HydrophobicContact CZ-CD1 3.62Å; F29-L33 VanDerWaalsContact O-CB 3.26Å; F29-L33 WeakPolarHBondContact O-CB 3.36Å; F29-L33 PolarHBondContact O-N 3.04Å; F29-V49 HydrophobicContact CD2-CG1 3.84Å; F29-V49 VanDerWaalsContact CD2-O 3.26Å; F29-V49 WeakPolarHBondContact CD2-O 3.09Å; F29-V49 HydrophobicContact CE2-CG1 3.64Å; F29-V49 HydrophobicContact CZ-CG1 4.4Å; F29-F50 HydrophobicContact CE2-CD1 4.01Å; F29-F50 AromaticContact CE2-CE1 3.88Å; F29-F50 HydrophobicContact CE2-CE1 3.88Å; F29-F50 HydrophobicContact CE2-CE2 4.43Å; F29-F50 HydrophobicContact CE2-CG 4.34Å; F29-F50 HydrophobicContact CE2-CZ 4.1Å; F29-F50 HydrophobicContact CZ-CE1 4.28Å; F29-F50 HydrophobicContact CZ-CZ 4.31Å; F29-F53 HydrophobicContact CB-CD2 4.02Å; F29-F53 HydrophobicContact CB-CE2 3.5Å; F29-F53 HydrophobicContact CB-CZ 3.84Å; F29-F53 HydrophobicContact CD1-CD2 4.47Å; F29-F53 AromaticContact CD1-CE2 3.45Å; F29-F53 HydrophobicContact CD1-CE2 3.45Å; F29-F53 VanDerWaalsContact CD1-CE2 3.45Å; F29-F53 AromaticContact CD1-CZ 3.94Å; F29-F53 HydrophobicContact CD1-CZ 3.94Å; F29-F53 AromaticContact CD2-CD2 3.45Å; F29-F53 HydrophobicContact CD2-CD2 3.45Å; F29-F53 VanDerWaalsContact CD2-CD2 3.45Å; F29-F53 AromaticContact CD2-CE2 3.23Å; F29-F53 HydrophobicContact CD2-CE2 3.23Å; F29-F53 HydrophobicContact CD2-CZ 4.34Å; F29-F53 AromaticContact CE1-CE2 3.9Å; F29-F53 HydrophobicContact CE1-CE2 3.9Å; F29-F53 AromaticContact CE2-CD2 3.96Å; F29-F53 HydrophobicContact CE2-CD2 3.96Å; F29-F53 AromaticContact CE2-CE2 3.71Å; F29-F53 HydrophobicContact CE2-CE2 3.71Å; F29-F53 AromaticContact CG-CD2 3.75Å; F29-F53 HydrophobicContact CG-CD2 3.75Å; F29-F53 AromaticContact CG-CE2 3.09Å; F29-F53 HydrophobicContact CG-CE2 3.09Å; F29-F53 AromaticContact CG-CZ 3.8Å; F29-F53 HydrophobicContact CG-CZ 3.8Å; F29-F53 HydrophobicContact CZ-CE2 4.02Å |
| 30 | S | 85.7 | Confident | 82.6 | Confident | 51 Ų | 51 | 77.8 Ų | 77.8 | 36% | 0.357 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | -179.1 | 74.1 | 0 | 0 | 0 | 0 | 111.8 | L26 L27 L33 V34 | L26-S30 WeakPolarHBondContact O-CB 3.46Å; L26-S30 PolarHBondContact O-N 2.95Å; L27-S30 PolarHBondContact O-N 3.25Å; L27-S30 PolarHBondContact O-OG 3.08Å; S30-L33 PolarHBondContact O-N 2.93Å; S30-V34 WeakPolarHBondContact O-CG2 3.4Å; S30-V34 PolarHBondContact O-N 3.31Å |
| 31 | V | 87 | Confident | 81.3 | Confident | 75 Ų | 75 | 75 Ų | 75 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 173.5 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | L27 V28 F29 L33 V34 L35 | L27-V31 HydrophobicContact CD2-CG2 4.24Å; L27-V31 WeakPolarHBondContact O-CG2 3.19Å; L27-V31 PolarHBondContact O-N 3.49Å; L27-V31 VanDerWaalsContact O-N 3.17Å; V28-V31 PolarHBondContact O-N 3.43Å; F29-V31 VanDerWaalsContact C-N 3.32Å; F29-V31 PolarHBondContact O-N 2.91Å; V31-L33 VanDerWaalsContact C-N 3.29Å; V31-L33 PolarHBondContact O-N 2.99Å; V31-V34 PolarHBondContact O-N 3.4Å; V31-L35 HydrophobicContact CG1-CD1 4.1Å; V31-L35 VanDerWaalsContact O-CG 3.31Å; V31-L35 WeakPolarHBondContact O-CG 3.5Å; V31-L35 PolarHBondContact O-N 3.46Å |
| 32 | L | 84.3 | Confident | 79.7 | Confident | 37 Ų | 37 | 75.3 Ų | 75.3 | 19% | 0.194 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.2 | -36.3 | 176.9 | -77.7 | 158.9 | 0 | 0 | 0 | 112.5 | V28 F29 L35 K36 V49 P52 | V28-L32 HydrophobicContact CG1-CD1 3.84Å; V28-L32 WeakPolarHBondContact O-CD1 3.36Å; V28-L32 WeakPolarHBondContact O-CG 3.37Å; V28-L32 PolarHBondContact O-N 2.94Å; F29-L32 PolarHBondContact O-N 3.33Å; L32-L35 PolarHBondContact O-N 2.91Å; L32-K36 WeakPolarHBondContact O-CB 3.2Å; L32-K36 PolarHBondContact O-N 2.92Å; L32-V49 HydrophobicContact CB-CG1 4.09Å; L32-P52 HydrophobicContact CD1-CG 3.47Å; L32-P52 VanDerWaalsContact CD1-CG 3.47Å |
| 33 | L | 82.8 | Confident | 78.4 | Confident | 63 Ų | 63 | 82.8 Ų | 82.8 | 33% | 0.33 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.3 | -45.4 | 178.2 | -174.1 | 121.7 | 0 | 0 | 0 | 111 | F29 S30 V31 L35 K36 V37 V49 | F29-L33 HydrophobicContact CE1-CB 4.39Å; F29-L33 HydrophobicContact CE1-CD1 3.71Å; F29-L33 HydrophobicContact CZ-CD1 3.62Å; F29-L33 VanDerWaalsContact O-CB 3.26Å; F29-L33 WeakPolarHBondContact O-CB 3.36Å; F29-L33 PolarHBondContact O-N 3.04Å; S30-L33 PolarHBondContact O-N 2.93Å; V31-L33 VanDerWaalsContact C-N 3.29Å; V31-L33 PolarHBondContact O-N 2.99Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 PolarHBondContact O-N 2.84Å; L33-K36 PolarHBondContact O-N 2.85Å; L33-V37 WeakPolarHBondContact O-CG2 3.44Å; L33-V37 PolarHBondContact O-N 3.44Å; L33-V49 HydrophobicContact CB-CG1 4.45Å |
| 34 | V | 84.4 | Confident | 77.4 | Confident | 91 Ų | 91 | 80.5 Ų | 80.5 | 55% | 0.552 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -60.5 | -46.1 | 175 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | S30 V31 K36 V37 D38 | S30-V34 WeakPolarHBondContact O-CG2 3.4Å; S30-V34 PolarHBondContact O-N 3.31Å; V31-V34 PolarHBondContact O-N 3.4Å; V34-K36 VanDerWaalsContact C-N 3.29Å; V34-K36 PolarHBondContact O-N 3.14Å; V34-V37 PolarHBondContact O-N 3.43Å; V34-D38 VanDerWaalsContact O-CB 3.29Å; V34-D38 WeakPolarHBondContact O-CB 3.39Å; V34-D38 PolarHBondContact O-N 3.33Å |
| 35 | L | 82.1 | Confident | 76.9 | Confident | 88 Ų | 88 | 78.9 Ų | 78.9 | 46% | 0.461 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.8 | -37.6 | 176.7 | -70.8 | 170.9 | 0 | 0 | 0 | 112.6 | V31 L32 L33 S39 | V31-L35 HydrophobicContact CG1-CD1 4.1Å; V31-L35 VanDerWaalsContact O-CG 3.31Å; V31-L35 WeakPolarHBondContact O-CG 3.5Å; V31-L35 PolarHBondContact O-N 3.46Å; L32-L35 PolarHBondContact O-N 2.91Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 PolarHBondContact O-N 2.84Å; L35-S39 VanDerWaalsContact O-CB 3.32Å; L35-S39 WeakPolarHBondContact O-CB 3Å; L35-S39 PolarHBondContact O-N 2.87Å; L35-S39 VanDerWaalsContact O-N 3.08Å |
| 36 | K | 79.9 | Confident | 76.3 | Confident | 41 Ų | 41 | 82 Ų | 82 | 18% | 0.178 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -68.7 | -36.2 | 177.6 | 179.9 | 61.9 | -171.3 | 174.8 | 0 | 112.5 | L32 L33 V34 S42 L44 W46 V49 | L32-K36 WeakPolarHBondContact O-CB 3.2Å; L32-K36 PolarHBondContact O-N 2.92Å; L33-K36 PolarHBondContact O-N 2.85Å; V34-K36 VanDerWaalsContact C-N 3.29Å; V34-K36 PolarHBondContact O-N 3.14Å; K36-S42 PolarHBondContact NZ-O 3.3Å; K36-L44 HydrophobicContact CD-CB 4.14Å; K36-L44 WeakPolarHBondContact CE-O 3.41Å; K36-L44 PolarHBondContact NZ-O 3.36Å; K36-W46 HydrophobicContact CG-CE3 4.44Å; K36-W46 HydrophobicContact CG-CH2 4.16Å; K36-W46 HydrophobicContact CG-CZ3 4.02Å; K36-V49 HydrophobicContact CB-CG2 4.11Å; K36-V49 HydrophobicContact CG-CG2 4.21Å |
| 37 | V | 79.4 | Confident | 75.8 | Confident | 106 Ų | 106 | 82.8 Ų | 82.8 | 64% | 0.642 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -77.1 | -39.6 | 179.7 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | L33 V34 | L33-V37 WeakPolarHBondContact O-CG2 3.44Å; L33-V37 PolarHBondContact O-N 3.44Å; V34-V37 PolarHBondContact O-N 3.43Å |
| 38 | D | 79.8 | Confident | 75.4 | Confident | 133 Ų | 133 | 80.5 Ų | 80.5 | 71% | 0.711 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -79.6 | -31.6 | -175.7 | -160.6 | 44.7 | 0 | 0 | 0 | 112.7 | V34 E40 | V34-D38 VanDerWaalsContact O-CB 3.29Å; V34-D38 WeakPolarHBondContact O-CB 3.39Å; V34-D38 PolarHBondContact O-N 3.33Å; D38-E40 PolarHBondContact O-N 3.31Å |
| 39 | S | 70.6 | Confident | 75.2 | Confident | 60 Ų | 60 | 77.7 Ų | 77.7 | 42% | 0.42 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -83.1 | 92.4 | 170.2 | -72.6 | 0 | 0 | 0 | 0 | 110.8 | L35 G41 S42 | L35-S39 VanDerWaalsContact O-CB 3.32Å; L35-S39 WeakPolarHBondContact O-CB 3Å; L35-S39 PolarHBondContact O-N 2.87Å; L35-S39 VanDerWaalsContact O-N 3.08Å; S39-G41 PolarHBondContact O-N 3.25Å; S39-S42 PolarHBondContact O-N 3Å |
| 40 | E | 54.4 | Low | 75 | Confident | 204 Ų | 204 | 76.4 Ų | 76.4 | 95% | 0.953 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 11.1 | 177.5 | -69.9 | -156.3 | 146 | 0 | 0 | 116.7 | D38 | D38-E40 PolarHBondContact O-N 3.31Š|
| 41 | G | 55.1 | Low | 75 | Confident | 69 Ų | 69 | 78.6 Ų | 78.6 | 71% | 0.711 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -166.8 | 20.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S39 M43 | S39-G41 PolarHBondContact O-N 3.25Å; G41-M43 PolarHBondContact O-N 3.04Å |
| 42 | S | 53.7 | Low | 75 | Confident | 28 Ų | 28 | 76 Ų | 76 | 20% | 0.196 | 42% | 0.415 | C | S | . | . | trans | -68.7 | 130.6 | -178.7 | 69.4 | 0 | 0 | 0 | 0 | 111.3 | K36 S39 L44 | K36-S42 PolarHBondContact NZ-O 3.3Å; S39-S42 PolarHBondContact O-N 3Å; S42-L44 PolarHBondContact O-N 2.85Å | ||
| 43 | M | 56.7 | Low | 74.9 | Confident | 196 Ų | 196 | 75.7 Ų | 75.7 | 97% | 0.966 | 41% | 0.412 | S | S | * | . | trans | -60.3 | 6.3 | 168.6 | -58.1 | -163.5 | 91 | 0 | 0 | 113.6 | G41 S45 | G41-M43 PolarHBondContact O-N 3.04Å; M43-S45 PolarHBondContact O-N 3.49Å | ||
| 44 | L | 64.2 | Low | 75 | Confident | 61 Ų | 61 | 74.8 Ų | 74.8 | 32% | 0.319 | 41% | 0.405 | S | S | . | . | trans | -65.1 | 107.2 | 175.1 | -74.6 | 164.3 | 0 | 0 | 0 | 108.6 | K36 S42 T48 | K36-L44 HydrophobicContact CD-CB 4.14Å; K36-L44 WeakPolarHBondContact CE-O 3.41Å; K36-L44 PolarHBondContact NZ-O 3.36Å; S42-L44 PolarHBondContact O-N 2.85Å; L44-T48 HydrophobicContact CD2-CG2 3.81Å | ||
| 45 | S | 77.8 | Confident | 75.2 | Confident | 53 Ų | 53 | 73.5 Ų | 73.5 | 37% | 0.371 | 40% | 0.404 | S | S | . | . | trans | -62.9 | 146.2 | 172.7 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | M43 W47 T48 | M43-S45 PolarHBondContact O-N 3.49Å; S45-W47 PolarHBondContact O-N 2.7Å; S45-W47 VanDerWaalsContact O-N 3.12Å; S45-T48 WeakPolarHBondContact O-CA 3.4Å; S45-T48 WeakPolarHBondContact O-CB 3.49Å; S45-T48 PolarHBondContact O-N 3.39Å; S45-T48 PolarHBondContact O-OG1 2.94Å | ||
| 46 | W | 74.8 | Confident | 75.4 | Confident | 72 Ų | 72 | 69.5 Ų | 69.5 | 27% | 0.273 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -54.6 | -31 | 172.2 | -68.6 | 104.9 | 0 | 0 | 0 | 111.3 | K36 T48 V49 F50 L105 V106 | K36-W46 HydrophobicContact CG-CE3 4.44Å; K36-W46 HydrophobicContact CG-CH2 4.16Å; K36-W46 HydrophobicContact CG-CZ3 4.02Å; W46-T48 VanDerWaalsContact C-N 3.26Å; W46-T48 PolarHBondContact O-N 2.98Å; W46-V49 WeakPolarHBondContact O-CB 3.45Å; W46-V49 PolarHBondContact O-N 3.36Å; W46-V49 VanDerWaalsContact O-N 3.09Å; W46-F50 VanDerWaalsContact O-CD2 3.31Å; W46-F50 WeakPolarHBondContact O-CD2 3.36Å; W46-F50 PolarHBondContact O-N 3.31Å; W46-L105 HydrophobicContact CD2-CB 3.89Å; W46-L105 HydrophobicContact CD2-CD2 3.99Å; W46-L105 HydrophobicContact CE3-CB 4.18Å; W46-L105 HydrophobicContact CE3-CD2 3.43Å; W46-L105 VanDerWaalsContact CE3-CD2 3.43Å; W46-L105 HydrophobicContact CE3-CG 4.41Å; W46-L105 HydrophobicContact CG-CB 4.1Å; W46-L105 HydrophobicContact CH2-CD2 3.78Å; W46-L105 HydrophobicContact CZ2-CD2 4.28Å; W46-L105 HydrophobicContact CZ3-CD2 3.34Å; W46-L105 PolarHBondContact NE1-O 3.48Å; W46-L105 VanDerWaalsContact NE1-O 3.13Å; W46-V106 HydrophobicContact CB-CG2 3.63Å; W46-V106 HydrophobicContact CG-CG2 4.23Å |
| 47 | W | 76.9 | Confident | 75.6 | Confident | 114 Ų | 114 | 67.9 Ų | 67.9 | 43% | 0.432 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -51 | -43 | 169.7 | -72.3 | 103.1 | 0 | 0 | 0 | 113.1 | S45 V49 F50 I51 F54 M99 | S45-W47 PolarHBondContact O-N 2.7Å; S45-W47 VanDerWaalsContact O-N 3.12Å; W47-V49 PolarHBondContact O-N 2.89Å; W47-F50 PolarHBondContact O-N 2.96Å; W47-I51 WeakPolarHBondContact O-CG1 3.27Å; W47-I51 PolarHBondContact O-N 3.47Å; W47-F54 HydrophobicContact CE3-CE2 4.35Å; W47-F54 HydrophobicContact CZ3-CE2 4.34Å; W47-F54 HydrophobicContact CZ3-CZ 4.45Å; W47-M99 HydrophobicContact CH2-CE 3.76Å; W47-M99 HydrophobicContact CH2-SD 4.17Å; W47-M99 HydrophobicContact CZ3-CE 4.12Å; W47-M99 HydrophobicContact CZ3-SD 3.98Å |
| 48 | T | 79.4 | Confident | 75.8 | Confident | 52 Ų | 52 | 64.8 Ų | 64.8 | 32% | 0.319 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.7 | -36.6 | 179.7 | -49.3 | 0 | 0 | 0 | 0 | 112.3 | L44 S45 W46 F50 I51 | L44-T48 HydrophobicContact CD2-CG2 3.81Å; S45-T48 WeakPolarHBondContact O-CA 3.4Å; S45-T48 WeakPolarHBondContact O-CB 3.49Å; S45-T48 PolarHBondContact O-N 3.39Å; S45-T48 PolarHBondContact O-OG1 2.94Å; W46-T48 VanDerWaalsContact C-N 3.26Å; W46-T48 PolarHBondContact O-N 2.98Å; T48-F50 VanDerWaalsContact C-N 3.29Å; T48-F50 PolarHBondContact O-N 3.19Å; T48-I51 HydrophobicContact CG2-CD1 4.15Å; T48-I51 PolarHBondContact O-N 3.43Å |
| 49 | V | 83.1 | Confident | 76.2 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.1 | -35.7 | 177.6 | -175.4 | 0 | 0 | 0 | 0 | 110.5 | F29 L32 L33 K36 W46 W47 P52 | F29-V49 HydrophobicContact CD2-CG1 3.84Å; F29-V49 VanDerWaalsContact CD2-O 3.26Å; F29-V49 WeakPolarHBondContact CD2-O 3.09Å; F29-V49 HydrophobicContact CE2-CG1 3.64Å; F29-V49 HydrophobicContact CZ-CG1 4.4Å; L32-V49 HydrophobicContact CB-CG1 4.09Å; L33-V49 HydrophobicContact CB-CG1 4.45Å; K36-V49 HydrophobicContact CB-CG2 4.11Å; K36-V49 HydrophobicContact CG-CG2 4.21Å; W46-V49 WeakPolarHBondContact O-CB 3.45Å; W46-V49 PolarHBondContact O-N 3.36Å; W46-V49 VanDerWaalsContact O-N 3.09Å; W47-V49 PolarHBondContact O-N 2.89Å; V49-P52 VanDerWaalsContact O-CD 3.23Å; V49-P52 WeakPolarHBondContact O-CD 3.45Å |
| 50 | F | 83.4 | Confident | 76.8 | Confident | 10 Ų | 10 | 59.3 Ų | 59.3 | 4% | 0.044 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -84.4 | -10 | 179.5 | -77.6 | -83.2 | 0 | 0 | 0 | 115.1 | F29 W46 W47 T48 F53 F54 L101 C102 L105 | F29-F50 HydrophobicContact CE2-CD1 4.01Å; F29-F50 AromaticContact CE2-CE1 3.88Å; F29-F50 HydrophobicContact CE2-CE1 3.88Å; F29-F50 HydrophobicContact CE2-CE2 4.43Å; F29-F50 HydrophobicContact CE2-CG 4.34Å; F29-F50 HydrophobicContact CE2-CZ 4.1Å; F29-F50 HydrophobicContact CZ-CE1 4.28Å; F29-F50 HydrophobicContact CZ-CZ 4.31Å; W46-F50 VanDerWaalsContact O-CD2 3.31Å; W46-F50 WeakPolarHBondContact O-CD2 3.36Å; W46-F50 PolarHBondContact O-N 3.31Å; W47-F50 PolarHBondContact O-N 2.96Å; T48-F50 VanDerWaalsContact C-N 3.29Å; T48-F50 PolarHBondContact O-N 3.19Å; F50-F53 HydrophobicContact CD1-CD2 4.17Å; F50-F53 PolarHBondContact O-N 3.45Å; F50-F53 VanDerWaalsContact O-N 3.08Å; F50-F54 HydrophobicContact CB-CD2 4.08Å; F50-F54 HydrophobicContact CB-CE2 3.58Å; F50-F54 HydrophobicContact CB-CZ 4.33Å; F50-F54 VanDerWaalsContact O-CD2 3.23Å; F50-F54 WeakPolarHBondContact O-CD2 3.45Å; F50-F54 PolarHBondContact O-N 2.8Å; F50-L101 HydrophobicContact CE1-CB 4.48Å; F50-L101 HydrophobicContact CZ-CB 4.27Å; F50-C102 HydrophobicContact CD2-CB 3.84Å; F50-C102 HydrophobicContact CE2-CB 4.06Å; F50-C102 HydrophobicContact CG-CB 4.2Å; F50-L105 HydrophobicContact CE2-CD2 4.42Å |
| 51 | I | 85.3 | Confident | 78.2 | Confident | 97 Ų | 97 | 51.8 Ų | 51.8 | 50% | 0.497 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -49.3 | -46.3 | 177.5 | -69.3 | 173.3 | 0 | 0 | 0 | 113.5 | W47 T48 F53 F54 A55 | W47-I51 WeakPolarHBondContact O-CG1 3.27Å; W47-I51 PolarHBondContact O-N 3.47Å; T48-I51 HydrophobicContact CG2-CD1 4.15Å; T48-I51 PolarHBondContact O-N 3.43Å; I51-F53 VanDerWaalsContact C-N 3.26Å; I51-F53 PolarHBondContact O-N 3.08Å; I51-F54 PolarHBondContact O-N 3.37Å; I51-A55 WeakPolarHBondContact O-CB 3.47Å; I51-A55 PolarHBondContact O-N 2.93Å |
| 52 | P | 86.1 | Confident | 79.7 | Confident | 21 Ų | 21 | 55.9 Ų | 55.9 | 14% | 0.136 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.7 | -35.4 | -178.5 | -20.1 | 31.2 | 0 | 0 | 0 | 112.9 | A25 V28 L32 V49 A56 | A25-P52 HydrophobicContact CB-CB 4.47Å; A25-P52 WeakPolarHBondContact CB-O 3.34Å; V28-P52 HydrophobicContact CB-CB 4.16Å; V28-P52 HydrophobicContact CB-CG 4.3Å; V28-P52 HydrophobicContact CG1-CB 3.97Å; V28-P52 HydrophobicContact CG1-CG 3.64Å; L32-P52 HydrophobicContact CD1-CG 3.47Å; L32-P52 VanDerWaalsContact CD1-CG 3.47Å; V49-P52 VanDerWaalsContact O-CD 3.23Å; V49-P52 WeakPolarHBondContact O-CD 3.45Å; P52-A56 WeakPolarHBondContact O-CB 3.39Å; P52-A56 PolarHBondContact O-N 2.85Å |
| 53 | F | 83.5 | Confident | 81 | Confident | 29 Ų | 29 | 58 Ų | 58 | 13% | 0.127 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.4 | -45.3 | 176.6 | -79.2 | -53.8 | 0 | 0 | 0 | 111.7 | A25 L26 F29 F50 I51 A55 A56 D57 | A25-F53 HydrophobicContact CB-CD1 4.13Å; A25-F53 HydrophobicContact CB-CE1 4.46Å; L26-F53 HydrophobicContact CB-CE1 4.1Å; L26-F53 HydrophobicContact CB-CZ 4.21Å; L26-F53 HydrophobicContact CG-CZ 4.35Å; F29-F53 HydrophobicContact CB-CD2 4.02Å; F29-F53 HydrophobicContact CB-CE2 3.5Å; F29-F53 HydrophobicContact CB-CZ 3.84Å; F29-F53 HydrophobicContact CD1-CD2 4.47Å; F29-F53 AromaticContact CD1-CE2 3.45Å; F29-F53 HydrophobicContact CD1-CE2 3.45Å; F29-F53 VanDerWaalsContact CD1-CE2 3.45Å; F29-F53 AromaticContact CD1-CZ 3.94Å; F29-F53 HydrophobicContact CD1-CZ 3.94Å; F29-F53 AromaticContact CD2-CD2 3.45Å; F29-F53 HydrophobicContact CD2-CD2 3.45Å; F29-F53 VanDerWaalsContact CD2-CD2 3.45Å; F29-F53 AromaticContact CD2-CE2 3.23Å; F29-F53 HydrophobicContact CD2-CE2 3.23Å; F29-F53 HydrophobicContact CD2-CZ 4.34Å; F29-F53 AromaticContact CE1-CE2 3.9Å; F29-F53 HydrophobicContact CE1-CE2 3.9Å; F29-F53 AromaticContact CE2-CD2 3.96Å; F29-F53 HydrophobicContact CE2-CD2 3.96Å; F29-F53 AromaticContact CE2-CE2 3.71Å; F29-F53 HydrophobicContact CE2-CE2 3.71Å; F29-F53 AromaticContact CG-CD2 3.75Å; F29-F53 HydrophobicContact CG-CD2 3.75Å; F29-F53 AromaticContact CG-CE2 3.09Å; F29-F53 HydrophobicContact CG-CE2 3.09Å; F29-F53 AromaticContact CG-CZ 3.8Å; F29-F53 HydrophobicContact CG-CZ 3.8Å; F29-F53 HydrophobicContact CZ-CE2 4.02Å; F50-F53 HydrophobicContact CD1-CD2 4.17Å; F50-F53 PolarHBondContact O-N 3.45Å; F50-F53 VanDerWaalsContact O-N 3.08Å; I51-F53 VanDerWaalsContact C-N 3.26Å; I51-F53 PolarHBondContact O-N 3.08Å; F53-A55 VanDerWaalsContact C-N 3.32Å; F53-A55 PolarHBondContact O-N 3.19Å; F53-A56 PolarHBondContact O-N 2.87Å; F53-D57 WeakPolarHBondContact O-CB 3.5Å; F53-D57 PolarHBondContact O-N 2.89Å |
| 54 | F | 84.5 | Confident | 82.1 | Confident | 45 Ų | 45 | 49.2 Ų | 49.2 | 20% | 0.197 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62 | -39.5 | 175 | -65.9 | -53.9 | 0 | 0 | 0 | 112.6 | W47 F50 I51 D57 G58 F95 E98 M99 | W47-F54 HydrophobicContact CE3-CE2 4.35Å; W47-F54 HydrophobicContact CZ3-CE2 4.34Å; W47-F54 HydrophobicContact CZ3-CZ 4.45Å; F50-F54 HydrophobicContact CB-CD2 4.08Å; F50-F54 HydrophobicContact CB-CE2 3.58Å; F50-F54 HydrophobicContact CB-CZ 4.33Å; F50-F54 VanDerWaalsContact O-CD2 3.23Å; F50-F54 WeakPolarHBondContact O-CD2 3.45Å; F50-F54 PolarHBondContact O-N 2.8Å; I51-F54 PolarHBondContact O-N 3.37Å; F54-D57 PolarHBondContact O-N 3.45Å; F54-G58 PolarHBondContact O-N 2.96Å; F54-F95 AromaticContact CD1-CD2 3.81Å; F54-F95 HydrophobicContact CD1-CD2 3.81Å; F54-F95 AromaticContact CD1-CE2 3.4Å; F54-F95 HydrophobicContact CD1-CE2 3.4Å; F54-F95 VanDerWaalsContact CD1-CE2 3.4Å; F54-F95 HydrophobicContact CD1-CZ 4.42Å; F54-F95 AromaticContact CE1-CD2 3.91Å; F54-F95 HydrophobicContact CE1-CD2 3.91Å; F54-F95 AromaticContact CE1-CE2 3.48Å; F54-F95 HydrophobicContact CE1-CE2 3.48Å; F54-F95 VanDerWaalsContact CE1-CE2 3.48Å; F54-F95 HydrophobicContact CE1-CZ 4.2Å; F54-E98 HydrophobicContact CE1-CB 4.37Å; F54-M99 HydrophobicContact CE1-CG 3.93Å; F54-M99 HydrophobicContact CE1-SD 3.55Å; F54-M99 VanDerWaalsContact CE1-SD 3.55Å; F54-M99 HydrophobicContact CE2-SD 4.46Å; F54-M99 HydrophobicContact CZ-CG 4.19Å; F54-M99 HydrophobicContact CZ-SD 3.39Å; F54-M99 WeakPolarHBondContact CZ-SD 3.2Å |
| 55 | A | 87.6 | Confident | 82.9 | Confident | 63 Ų | 63 | 49.4 Ų | 49.4 | 52% | 0.521 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I51 F53 L59 | I51-A55 WeakPolarHBondContact O-CB 3.47Å; I51-A55 PolarHBondContact O-N 2.93Å; F53-A55 VanDerWaalsContact C-N 3.32Å; F53-A55 PolarHBondContact O-N 3.19Å; A55-L59 WeakPolarHBondContact O-CB 3.17Å; A55-L59 PolarHBondContact O-N 2.79Å |
| 56 | A | 86.7 | Confident | 83.1 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.9 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A25 P52 F53 L59 S60 | A25-A56 HydrophobicContact CB-CB 3.59Å; P52-A56 WeakPolarHBondContact O-CB 3.39Å; P52-A56 PolarHBondContact O-N 2.85Å; F53-A56 PolarHBondContact O-N 2.87Å; A56-L59 PolarHBondContact O-N 3.28Å; A56-S60 WeakPolarHBondContact O-CB 3.38Å; A56-S60 PolarHBondContact O-N 3.29Å; A56-S60 PolarHBondContact O-OG 3.39Å; A56-S60 VanDerWaalsContact O-OG 3.04Å |
| 57 | D | 84.6 | Confident | 83.2 | Confident | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.043 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 177 | -158.5 | 72.2 | 0 | 0 | 0 | 112.3 | F53 F54 S60 T61 L91 K94 | F53-D57 WeakPolarHBondContact O-CB 3.5Å; F53-D57 PolarHBondContact O-N 2.89Å; F54-D57 PolarHBondContact O-N 3.45Å; D57-S60 PolarHBondContact O-N 3.08Å; D57-T61 PolarHBondContact O-N 3.27Å; D57-T61 PolarHBondContact O-OG1 3.06Å; D57-L91 VanDerWaalsContact CG-CD2 3.4Å; D57-L91 WeakPolarHBondContact OD1-CD2 3.31Å; D57-L91 WeakPolarHBondContact OD1-CG 3.45Å; D57-L91 WeakPolarHBondContact OD2-CD2 3.44Å; D57-K94 IonicContact OD1-NZ 3.47Å; D57-K94 PolarHBondContact OD1-NZ 2.91Å |
| 58 | G | 84.3 | Confident | 82.9 | Confident | 40 Ų | 40 | 44.3 Ų | 44.3 | 41% | 0.412 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F54 T61 Y62 | F54-G58 PolarHBondContact O-N 2.96Å; G58-T61 WeakPolarHBondContact O-CB 3.23Å; G58-T61 PolarHBondContact O-N 3.03Å; G58-Y62 WeakPolarHBondContact O-CB 3.4Å; G58-Y62 PolarHBondContact O-N 2.7Å |
| 59 | L | 86.7 | Confident | 82.9 | Confident | 79 Ų | 79 | 45.8 Ų | 45.8 | 41% | 0.414 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.2 | -38.2 | 179.2 | -166.9 | 60.4 | 0 | 0 | 0 | 112.1 | L21 A55 A56 Y62 F63 | L21-L59 HydrophobicContact CD1-CB 4.34Å; L21-L59 HydrophobicContact CD1-CD2 3.55Å; L21-L59 HydrophobicContact CD1-CG 3.9Å; L21-L59 HydrophobicContact CD2-CD2 3.72Å; L21-L59 HydrophobicContact CG-CD2 4.27Å; A55-L59 WeakPolarHBondContact O-CB 3.17Å; A55-L59 PolarHBondContact O-N 2.79Å; A56-L59 PolarHBondContact O-N 3.28Å; L59-Y62 PolarHBondContact O-N 3.39Å; L59-F63 PolarHBondContact O-N 3.32Å |
| 60 | S | 84.1 | Confident | 82.6 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 171.7 | -67.6 | 0 | 0 | 0 | 0 | 111.5 | H22 A56 D57 Y62 F63 T64 | H22-S60 PolarHBondContact NE2-OG 2.9Å; H22-S60 VanDerWaalsContact NE2-OG 3.14Å; A56-S60 WeakPolarHBondContact O-CB 3.38Å; A56-S60 PolarHBondContact O-N 3.29Å; A56-S60 PolarHBondContact O-OG 3.39Å; A56-S60 VanDerWaalsContact O-OG 3.04Å; D57-S60 PolarHBondContact O-N 3.08Å; S60-Y62 VanDerWaalsContact C-N 3.34Å; S60-Y62 PolarHBondContact O-N 2.85Å; S60-F63 PolarHBondContact O-N 3.38Å; S60-T64 WeakPolarHBondContact O-CB 3.26Å; S60-T64 PolarHBondContact O-N 3.41Å; S60-T64 PolarHBondContact O-OG1 3.23Å |
| 61 | T | 84.8 | Confident | 82 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 28% | 0.282 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 175.2 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | D57 G58 T65 L91 | D57-T61 PolarHBondContact O-N 3.27Å; D57-T61 PolarHBondContact O-OG1 3.06Å; G58-T61 WeakPolarHBondContact O-CB 3.23Å; G58-T61 PolarHBondContact O-N 3.03Å; T61-T65 WeakPolarHBondContact O-CB 3.36Å; T61-T65 PolarHBondContact O-N 3.43Å; T61-T65 PolarHBondContact O-OG1 3.19Å; T61-L91 WeakPolarHBondContact OG1-CD2 3.47Å |
| 62 | Y | 85.2 | Confident | 81.3 | Confident | 154 Ų | 154 | 55.8 Ų | 55.8 | 60% | 0.604 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.3 | -46.9 | 178.3 | 177.9 | -102.5 | 0 | 0 | 0 | 111.4 | G58 L59 S60 T65 I66 | G58-Y62 WeakPolarHBondContact O-CB 3.4Å; G58-Y62 PolarHBondContact O-N 2.7Å; L59-Y62 PolarHBondContact O-N 3.39Å; S60-Y62 VanDerWaalsContact C-N 3.34Å; S60-Y62 PolarHBondContact O-N 2.85Å; Y62-T65 PolarHBondContact O-N 3.12Å; Y62-I66 HydrophobicContact CD1-CD1 3.81Å; Y62-I66 HydrophobicContact CE1-CD1 3.27Å; Y62-I66 HydrophobicContact CE1-CG1 4.46Å; Y62-I66 HydrophobicContact CE2-CD1 4.11Å; Y62-I66 HydrophobicContact CG-CD1 4.44Å; Y62-I66 VanDerWaalsContact CZ-CD1 3.44Å; Y62-I66 WeakPolarHBondContact O-CG1 3.07Å; Y62-I66 PolarHBondContact O-N 2.87Å; Y62-I66 VanDerWaalsContact O-N 3.07Å |
| 63 | F | 82.2 | Confident | 80.8 | Confident | 73 Ų | 73 | 62 Ų | 62 | 32% | 0.32 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.6 | -49.2 | 178.6 | -173.5 | -97 | 0 | 0 | 0 | 112.1 | A15 E18 L59 S60 T65 I66 V67 | A15-F63 HydrophobicContact CB-CD1 4.42Å; A15-F63 HydrophobicContact CB-CE1 3.68Å; A15-F63 HydrophobicContact CB-CZ 4.37Å; E18-F63 HydrophobicContact CG-CD1 4.18Å; L59-F63 PolarHBondContact O-N 3.32Å; S60-F63 PolarHBondContact O-N 3.38Å; F63-T65 PolarHBondContact O-N 3.4Å; F63-I66 PolarHBondContact O-N 2.86Å; F63-V67 HydrophobicContact CD1-CG2 4.08Å; F63-V67 HydrophobicContact CE1-CG2 3.66Å; F63-V67 HydrophobicContact CE2-CG2 4.5Å; F63-V67 HydrophobicContact CZ-CG2 3.9Å; F63-V67 WeakPolarHBondContact O-CG2 3.46Å; F63-V67 PolarHBondContact O-N 3.43Å |
| 64 | T | 78.3 | Confident | 80.4 | Confident | 12 Ų | 12 | 66.8 Ų | 66.8 | 7% | 0.074 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.4 | -38.2 | 177.1 | -73.5 | 0 | 0 | 0 | 0 | 111.8 | E18 S60 S68 I87 | E18-T64 PolarHBondContact OE1-OG1 2.89Å; S60-T64 WeakPolarHBondContact O-CB 3.26Å; S60-T64 PolarHBondContact O-N 3.41Å; S60-T64 PolarHBondContact O-OG1 3.23Å; T64-S68 WeakPolarHBondContact O-CB 3.44Å; T64-S68 PolarHBondContact O-N 2.9Å; T64-S68 VanDerWaalsContact O-N 3.08Å; T64-S68 PolarHBondContact O-OG 3.46Å; T64-I87 HydrophobicContact CG2-CB 4.01Å; T64-I87 HydrophobicContact CG2-CD1 4.09Å; T64-I87 HydrophobicContact CG2-CG2 3.7Å |
| 65 | T | 81.6 | Confident | 79.4 | Confident | 64 Ų | 64 | 67.2 Ų | 67.2 | 39% | 0.393 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.9 | -47 | 176.9 | -59 | 0 | 0 | 0 | 0 | 111.3 | T61 Y62 F63 V67 S68 V69 | T61-T65 WeakPolarHBondContact O-CB 3.36Å; T61-T65 PolarHBondContact O-N 3.43Å; T61-T65 PolarHBondContact O-OG1 3.19Å; Y62-T65 PolarHBondContact O-N 3.12Å; F63-T65 PolarHBondContact O-N 3.4Å; T65-V67 PolarHBondContact O-N 3Å; T65-S68 PolarHBondContact O-N 3.37Å; T65-V69 WeakPolarHBondContact O-CG2 3.42Å; T65-V69 PolarHBondContact O-N 3.01Å |
| 66 | I | 82.4 | Confident | 78.3 | Confident | 56 Ų | 56 | 70.1 Ų | 70.1 | 29% | 0.287 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 178 | -70.3 | 170.3 | 0 | 0 | 0 | 111.7 | Y62 F63 S68 V69 R70 | Y62-I66 HydrophobicContact CD1-CD1 3.81Å; Y62-I66 HydrophobicContact CE1-CD1 3.27Å; Y62-I66 HydrophobicContact CE1-CG1 4.46Å; Y62-I66 HydrophobicContact CE2-CD1 4.11Å; Y62-I66 HydrophobicContact CG-CD1 4.44Å; Y62-I66 VanDerWaalsContact CZ-CD1 3.44Å; Y62-I66 WeakPolarHBondContact O-CG1 3.07Å; Y62-I66 PolarHBondContact O-N 2.87Å; Y62-I66 VanDerWaalsContact O-N 3.07Å; F63-I66 PolarHBondContact O-N 2.86Å; I66-S68 PolarHBondContact O-N 2.74Å; I66-V69 PolarHBondContact O-N 3.23Å; I66-R70 PolarHBondContact O-N 3.25Å; I66-R70 VanDerWaalsContact O-N 3.09Å |
| 67 | V | 76.1 | Confident | 77.3 | Confident | 60 Ų | 60 | 75.2 Ų | 75.2 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.2 | -37.8 | -179.8 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | F63 T65 R70 L71 | F63-V67 HydrophobicContact CD1-CG2 4.08Å; F63-V67 HydrophobicContact CE1-CG2 3.66Å; F63-V67 HydrophobicContact CE2-CG2 4.5Å; F63-V67 HydrophobicContact CZ-CG2 3.9Å; F63-V67 WeakPolarHBondContact O-CG2 3.46Å; F63-V67 PolarHBondContact O-N 3.43Å; T65-V67 PolarHBondContact O-N 3Å; V67-R70 PolarHBondContact O-N 3.23Å; V67-L71 WeakPolarHBondContact O-CB 3.42Å; V67-L71 PolarHBondContact O-N 3.02Å |
| 68 | S | 71.6 | Confident | 76.5 | Confident | 17 Ų | 17 | 85.8 Ų | 85.8 | 12% | 0.119 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -74.9 | -34.7 | -179.1 | -56.6 | 0 | 0 | 0 | 0 | 113.3 | T64 T65 I66 R70 L71 F72 L84 | T64-S68 WeakPolarHBondContact O-CB 3.44Å; T64-S68 PolarHBondContact O-N 2.9Å; T64-S68 VanDerWaalsContact O-N 3.08Å; T64-S68 PolarHBondContact O-OG 3.46Å; T65-S68 PolarHBondContact O-N 3.37Å; I66-S68 PolarHBondContact O-N 2.74Å; S68-R70 VanDerWaalsContact C-N 3.32Å; S68-L71 PolarHBondContact O-N 3.5Å; S68-F72 WeakPolarHBondContact O-CB 3.43Å; S68-F72 PolarHBondContact O-N 3.37Å; S68-L84 WeakPolarHBondContact OG-CD1 3.23Å |
| 69 | V | 78.8 | Confident | 75.6 | Confident | 82 Ų | 82 | 89.6 Ų | 89.6 | 50% | 0.497 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 171.5 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | T65 I66 F72 Q73 | T65-V69 WeakPolarHBondContact O-CG2 3.42Å; T65-V69 PolarHBondContact O-N 3.01Å; I66-V69 PolarHBondContact O-N 3.23Å; V69-F72 WeakPolarHBondContact O-CB 3.25Å; V69-F72 PolarHBondContact O-N 3.4Å; V69-Q73 PolarHBondContact O-N 3.17Å |
| 70 | R | 77.6 | Confident | 74.7 | Confident | 168 Ų | 168 | 86 Ų | 86 | 63% | 0.634 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.4 | -47.4 | 175.6 | -70 | -176.9 | 179.5 | 177.8 | 0.4 | 111.8 | I66 V67 S68 F72 Q73 D74 | I66-R70 PolarHBondContact O-N 3.25Å; I66-R70 VanDerWaalsContact O-N 3.09Å; V67-R70 PolarHBondContact O-N 3.23Å; S68-R70 VanDerWaalsContact C-N 3.32Å; R70-F72 PolarHBondContact O-N 2.91Å; R70-Q73 WeakPolarHBondContact O-CB 3.26Å; R70-Q73 PolarHBondContact O-N 3.27Å; R70-D74 PolarHBondContact O-N 3.44Å |
| 71 | L | 70 | Confident | 74.1 | Confident | 53 Ų | 53 | 89.9 Ų | 89.9 | 28% | 0.277 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.1 | -27 | 179.7 | -163.2 | 65.8 | 0 | 0 | 0 | 112.8 | V67 S68 Q73 D74 A80 | V67-L71 WeakPolarHBondContact O-CB 3.42Å; V67-L71 PolarHBondContact O-N 3.02Å; S68-L71 PolarHBondContact O-N 3.5Å; L71-Q73 VanDerWaalsContact C-N 3.34Å; L71-D74 PolarHBondContact O-N 2.9Å; L71-A80 HydrophobicContact CB-CB 3.99Å; L71-A80 HydrophobicContact CD2-CB 3.49Å; L71-A80 VanDerWaalsContact CD2-CB 3.49Å; L71-A80 HydrophobicContact CG-CB 3.68Å |
| 72 | F | 71.4 | Confident | 73.5 | Confident | 97 Ų | 97 | 93.7 Ų | 93.7 | 43% | 0.425 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.5 | -31 | 172.8 | -169.3 | -95.8 | 0 | 0 | 0 | 113 | S68 V69 R70 K77 V81 | S68-F72 WeakPolarHBondContact O-CB 3.43Å; S68-F72 PolarHBondContact O-N 3.37Å; V69-F72 WeakPolarHBondContact O-CB 3.25Å; V69-F72 PolarHBondContact O-N 3.4Å; R70-F72 PolarHBondContact O-N 2.91Å; F72-K77 HydrophobicContact CD2-CB 3.91Å; F72-K77 HydrophobicContact CD2-CD 4.19Å; F72-K77 HydrophobicContact CD2-CG 3.69Å; F72-K77 HydrophobicContact CE1-CD 4.2Å; F72-K77 HydrophobicContact CE2-CB 3.77Å; F72-K77 HydrophobicContact CE2-CD 3.63Å; F72-K77 HydrophobicContact CE2-CG 3.61Å; F72-K77 HydrophobicContact CG-CG 4.25Å; F72-K77 HydrophobicContact CZ-CD 3.64Å; F72-K77 HydrophobicContact CZ-CG 4.09Å; F72-V81 HydrophobicContact CD2-CG2 4.49Å |
| 73 | Q | 74.8 | Confident | 72.9 | Confident | 152 Ų | 152 | 91.5 Ų | 91.5 | 71% | 0.71 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -74 | -30.9 | 176.1 | -67.4 | 176.7 | -14 | 0 | 0 | 112 | V69 R70 L71 G75 | V69-Q73 PolarHBondContact O-N 3.17Å; R70-Q73 WeakPolarHBondContact O-CB 3.26Å; R70-Q73 PolarHBondContact O-N 3.27Å; L71-Q73 VanDerWaalsContact C-N 3.34Å; Q73-G75 VanDerWaalsContact C-N 3.26Å; Q73-G75 PolarHBondContact O-N 3.31Å |
| 74 | D | 74.9 | Confident | 72.4 | Confident | 129 Ų | 129 | 90.1 Ų | 90.1 | 69% | 0.69 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 0.1 | -178.7 | -66.4 | -30.3 | 0 | 0 | 0 | 114.8 | R70 L71 | R70-D74 PolarHBondContact O-N 3.44Å; L71-D74 PolarHBondContact O-N 2.9Å |
| 75 | G | 63.2 | Low | 72.3 | Confident | 55 Ų | 55 | 96.2 Ų | 96.2 | 57% | 0.567 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.8 | -13.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q73 K77 | Q73-G75 VanDerWaalsContact C-N 3.26Å; Q73-G75 PolarHBondContact O-N 3.31Å; G75-K77 VanDerWaalsContact C-N 3.33Å; G75-K77 PolarHBondContact O-N 3.25Å; G75-K77 VanDerWaalsContact O-N 3.16Å |
| 76 | E | 64.3 | Low | 72.1 | Confident | 124 Ų | 124 | 95.7 Ų | 95.7 | 58% | 0.579 | 47% | 0.465 | S | S | * | . | trans | -91 | 54.7 | 178.1 | -68.4 | -129.7 | 139.1 | 0 | 0 | 113.4 | R78 L79 A80 | E76-R78 VanDerWaalsContact C-N 3.34Å; E76-R78 PolarHBondContact O-N 3Å; E76-L79 PolarHBondContact O-N 2.83Å; E76-A80 WeakPolarHBondContact O-CB 3.22Å; E76-A80 PolarHBondContact O-N 2.93Å; E76-A80 VanDerWaalsContact O-N 3.16Å | ||
| 77 | K | 66.1 | Low | 71.8 | Confident | 110 Ų | 110 | 93.4 Ų | 93.4 | 48% | 0.478 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -57.4 | -39 | -169 | -61.7 | -178.7 | 175.9 | 177.3 | 0 | 114.4 | F72 G75 V81 | F72-K77 HydrophobicContact CD2-CB 3.91Å; F72-K77 HydrophobicContact CD2-CD 4.19Å; F72-K77 HydrophobicContact CD2-CG 3.69Å; F72-K77 HydrophobicContact CE1-CD 4.2Å; F72-K77 HydrophobicContact CE2-CB 3.77Å; F72-K77 HydrophobicContact CE2-CD 3.63Å; F72-K77 HydrophobicContact CE2-CG 3.61Å; F72-K77 HydrophobicContact CG-CG 4.25Å; F72-K77 HydrophobicContact CZ-CD 3.64Å; F72-K77 HydrophobicContact CZ-CG 4.09Å; G75-K77 VanDerWaalsContact C-N 3.33Å; G75-K77 PolarHBondContact O-N 3.25Å; G75-K77 VanDerWaalsContact O-N 3.16Å; K77-V81 WeakPolarHBondContact O-CB 3.48Å; K77-V81 WeakPolarHBondContact O-CG2 3.49Å; K77-V81 PolarHBondContact O-N 3.4Å; K77-V81 VanDerWaalsContact O-N 3.13Å |
| 78 | R | 67.6 | Low | 72 | Confident | 231 Ų | 231 | 94.5 Ų | 94.5 | 87% | 0.872 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -72.9 | -44.6 | -173.4 | -122.1 | -178.9 | -178.1 | -177.7 | 0.6 | 112.5 | E76 L82 | E76-R78 VanDerWaalsContact C-N 3.34Å; E76-R78 PolarHBondContact O-N 3Å; R78-L82 WeakPolarHBondContact O-CB 3.42Å; R78-L82 PolarHBondContact O-N 3.46Å |
| 79 | L | 67.1 | Low | 72.3 | Confident | 120 Ų | 120 | 95.6 Ų | 95.6 | 63% | 0.628 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -68.8 | -40.9 | 179.1 | -163.8 | 86.7 | 0 | 0 | 0 | 110.6 | E76 L82 R83 | E76-L79 PolarHBondContact O-N 2.83Å; L79-L82 PolarHBondContact O-N 3.19Å; L79-R83 WeakPolarHBondContact O-CB 3.45Å; L79-R83 PolarHBondContact O-N 3.42Å |
| 80 | A | 66.5 | Low | 72.3 | Confident | 3 Ų | 3 | 92.1 Ų | 92.1 | 3% | 0.025 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59.5 | -48.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L71 E76 L82 R83 L84 | L71-A80 HydrophobicContact CB-CB 3.99Å; L71-A80 HydrophobicContact CD2-CB 3.49Å; L71-A80 VanDerWaalsContact CD2-CB 3.49Å; L71-A80 HydrophobicContact CG-CB 3.68Å; E76-A80 WeakPolarHBondContact O-CB 3.22Å; E76-A80 PolarHBondContact O-N 2.93Å; E76-A80 VanDerWaalsContact O-N 3.16Å; A80-L82 PolarHBondContact O-N 3.18Å; A80-R83 PolarHBondContact O-N 3.09Å; A80-L84 PolarHBondContact O-N 3.49Å |
| 81 | V | 72.1 | Confident | 72.4 | Confident | 81 Ų | 81 | 84.6 Ų | 84.6 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 179.6 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | F72 K77 R83 L84 F85 | F72-V81 HydrophobicContact CD2-CG2 4.49Å; K77-V81 WeakPolarHBondContact O-CB 3.48Å; K77-V81 WeakPolarHBondContact O-CG2 3.49Å; K77-V81 PolarHBondContact O-N 3.4Å; K77-V81 VanDerWaalsContact O-N 3.13Å; V81-R83 VanDerWaalsContact C-N 3.34Å; V81-R83 PolarHBondContact O-N 3.28Å; V81-L84 PolarHBondContact O-N 3.47Å; V81-F85 VanDerWaalsContact O-CB 3.28Å; V81-F85 WeakPolarHBondContact O-CB 3.38Å; V81-F85 PolarHBondContact O-N 2.68Å |
| 82 | L | 71.9 | Confident | 72.8 | Confident | 127 Ų | 127 | 84.6 Ų | 84.6 | 67% | 0.665 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -67.8 | -36.9 | -179.9 | -153.3 | 143.9 | 0 | 0 | 0 | 111.4 | R78 L79 A80 W86 | R78-L82 WeakPolarHBondContact O-CB 3.42Å; R78-L82 PolarHBondContact O-N 3.46Å; L79-L82 PolarHBondContact O-N 3.19Å; A80-L82 PolarHBondContact O-N 3.18Å; L82-W86 WeakPolarHBondContact O-CB 3.45Å; L82-W86 PolarHBondContact O-N 2.91Å |
| 83 | R | 71.5 | Confident | 73.2 | Confident | 107 Ų | 107 | 81.7 Ų | 81.7 | 40% | 0.404 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.6 | -45.2 | 172.7 | -169.7 | -177.2 | -165.2 | 177.8 | 6.4 | 112.2 | L79 A80 V81 W86 I87 | L79-R83 WeakPolarHBondContact O-CB 3.45Å; L79-R83 PolarHBondContact O-N 3.42Å; A80-R83 PolarHBondContact O-N 3.09Å; V81-R83 VanDerWaalsContact C-N 3.34Å; V81-R83 PolarHBondContact O-N 3.28Å; R83-W86 WeakPolarHBondContact O-CB 3.32Å; R83-W86 PolarHBondContact O-N 3.32Å; R83-I87 HydrophobicContact CG-CD1 4.09Å; R83-I87 WeakPolarHBondContact O-CG1 3.35Å; R83-I87 PolarHBondContact O-N 3.46Å |
| 84 | L | 72.3 | Confident | 73.5 | Confident | 45 Ų | 45 | 76.7 Ų | 76.7 | 24% | 0.236 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 177 | 178.8 | 140.7 | 0 | 0 | 0 | 110.7 | S68 A80 V81 W86 I87 L88 | S68-L84 WeakPolarHBondContact OG-CD1 3.23Å; A80-L84 PolarHBondContact O-N 3.49Å; V81-L84 PolarHBondContact O-N 3.47Å; L84-W86 PolarHBondContact O-N 3.4Å; L84-I87 PolarHBondContact O-N 2.99Å; L84-L88 HydrophobicContact CD2-CD1 4.26Å; L84-L88 WeakPolarHBondContact O-CB 3.5Å; L84-L88 PolarHBondContact O-N 3.13Å |
| 85 | F | 77.3 | Confident | 73.8 | Confident | 140 Ų | 140 | 74.4 Ų | 74.4 | 61% | 0.614 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -57.9 | -40.6 | 177.9 | -176.8 | -97.9 | 0 | 0 | 0 | 111.3 | V81 T89 | V81-F85 VanDerWaalsContact O-CB 3.28Å; V81-F85 WeakPolarHBondContact O-CB 3.38Å; V81-F85 PolarHBondContact O-N 2.68Å; F85-T89 WeakPolarHBondContact O-CB 3.07Å; F85-T89 PolarHBondContact O-N 3.38Å; F85-T89 PolarHBondContact O-OG1 2.83Å |
| 86 | W | 76.7 | Confident | 74.6 | Confident | 52 Ų | 52 | 75 Ų | 75 | 20% | 0.197 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.6 | -51.9 | 175.5 | -176 | -90.4 | 0 | 0 | 0 | 112.9 | L82 R83 L84 L88 T89 I90 L127 R131 | L82-W86 WeakPolarHBondContact O-CB 3.45Å; L82-W86 PolarHBondContact O-N 2.91Å; R83-W86 WeakPolarHBondContact O-CB 3.32Å; R83-W86 PolarHBondContact O-N 3.32Å; L84-W86 PolarHBondContact O-N 3.4Å; W86-L88 VanDerWaalsContact C-N 3.31Å; W86-L88 PolarHBondContact O-N 3.26Å; W86-T89 PolarHBondContact O-N 3.14Å; W86-I90 HydrophobicContact CZ2-CD1 4.45Å; W86-I90 PolarHBondContact O-N 3.26Å; W86-L127 HydrophobicContact CH2-CB 3.72Å; W86-L127 HydrophobicContact CH2-CD2 3.85Å; W86-L127 HydrophobicContact CH2-CG 4.31Å; W86-L127 WeakPolarHBondContact CH2-O 3.32Å; W86-L127 HydrophobicContact CZ2-CB 4.06Å; W86-L127 HydrophobicContact CZ3-CD2 4.06Å; W86-R131 HydrophobicContact CH2-CB 4.48Å; W86-R131 HydrophobicContact CZ2-CB 4.13Å; W86-R131 VanDerWaalsContact NE1-NH1 3.1Å |
| 87 | I | 75.4 | Confident | 75.4 | Confident | 8 Ų | 8 | 71.3 Ų | 71.3 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.7 | -42.7 | -179.5 | -63.6 | 166.4 | 0 | 0 | 0 | 110.2 | F14 T64 R83 L84 T89 I90 L91 | F14-I87 HydrophobicContact CE1-CG2 4.24Å; F14-I87 HydrophobicContact CE2-CG2 4.38Å; F14-I87 HydrophobicContact CZ-CG2 4.04Å; T64-I87 HydrophobicContact CG2-CB 4.01Å; T64-I87 HydrophobicContact CG2-CD1 4.09Å; T64-I87 HydrophobicContact CG2-CG2 3.7Å; R83-I87 HydrophobicContact CG-CD1 4.09Å; R83-I87 WeakPolarHBondContact O-CG1 3.35Å; R83-I87 PolarHBondContact O-N 3.46Å; L84-I87 PolarHBondContact O-N 2.99Å; I87-T89 VanDerWaalsContact C-N 3.32Å; I87-T89 PolarHBondContact O-N 3.33Å; I87-I90 PolarHBondContact O-N 3.4Å; I87-L91 VanDerWaalsContact O-CB 3.25Å; I87-L91 WeakPolarHBondContact O-CB 3.49Å; I87-L91 PolarHBondContact O-N 2.84Å |
| 88 | L | 80.1 | Confident | 76 | Confident | 83 Ų | 83 | 66.7 Ų | 66.7 | 44% | 0.435 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 177.8 | -166 | 144.8 | 0 | 0 | 0 | 111.6 | L84 W86 L91 S92 | L84-L88 HydrophobicContact CD2-CD1 4.26Å; L84-L88 WeakPolarHBondContact O-CB 3.5Å; L84-L88 PolarHBondContact O-N 3.13Å; W86-L88 VanDerWaalsContact C-N 3.31Å; W86-L88 PolarHBondContact O-N 3.26Å; L88-L91 PolarHBondContact O-N 3.12Å; L88-S92 VanDerWaalsContact O-CB 3.26Å; L88-S92 WeakPolarHBondContact O-CB 3.46Å; L88-S92 PolarHBondContact O-N 3.41Å; L88-S92 PolarHBondContact O-OG 3.02Å |
| 89 | T | 79.4 | Confident | 76.4 | Confident | 41 Ų | 41 | 58 Ų | 58 | 25% | 0.252 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.7 | -48.8 | 174 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | F85 W86 I87 L91 S92 L93 | F85-T89 WeakPolarHBondContact O-CB 3.07Å; F85-T89 PolarHBondContact O-N 3.38Å; F85-T89 PolarHBondContact O-OG1 2.83Å; W86-T89 PolarHBondContact O-N 3.14Å; I87-T89 VanDerWaalsContact C-N 3.32Å; I87-T89 PolarHBondContact O-N 3.33Å; T89-L91 VanDerWaalsContact C-N 3.33Å; T89-L91 PolarHBondContact O-N 3.46Å; T89-S92 PolarHBondContact O-N 3.34Å; T89-S92 PolarHBondContact O-OG 3.28Å; T89-L93 WeakPolarHBondContact O-CB 3.39Å; T89-L93 PolarHBondContact O-N 3.5Å |
| 90 | I | 78.3 | Confident | 76.8 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.4 | -48 | 177.3 | -72 | -174.6 | 0 | 0 | 0 | 111.4 | F14 W86 I87 L93 K94 L124 L128 | F14-I90 HydrophobicContact CE2-CG2 4.01Å; F14-I90 HydrophobicContact CZ-CG2 4.27Å; W86-I90 HydrophobicContact CZ2-CD1 4.45Å; W86-I90 PolarHBondContact O-N 3.26Å; I87-I90 PolarHBondContact O-N 3.4Å; I90-L93 PolarHBondContact O-N 2.95Å; I90-K94 PolarHBondContact O-N 3.46Å; I90-L124 HydrophobicContact CB-CD1 3.91Å; I90-L124 HydrophobicContact CD1-CD1 4.04Å; I90-L124 HydrophobicContact CG1-CD1 3.55Å; I90-L124 HydrophobicContact CG2-CD1 3.61Å; I90-L128 HydrophobicContact CD1-CD2 4.32Å |
| 91 | L | 79.3 | Confident | 77.1 | Confident | 11 Ų | 11 | 56 Ų | 56 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.5 | -40.1 | -175.2 | -161.3 | 148.3 | 0 | 0 | 0 | 110.8 | F14 D57 T61 I87 L88 T89 L93 K94 F95 | F14-L91 HydrophobicContact CE1-CD1 4.1Å; F14-L91 HydrophobicContact CZ-CD1 4.32Å; D57-L91 VanDerWaalsContact CG-CD2 3.4Å; D57-L91 WeakPolarHBondContact OD1-CD2 3.31Å; D57-L91 WeakPolarHBondContact OD1-CG 3.45Å; D57-L91 WeakPolarHBondContact OD2-CD2 3.44Å; T61-L91 WeakPolarHBondContact OG1-CD2 3.47Å; I87-L91 VanDerWaalsContact O-CB 3.25Å; I87-L91 WeakPolarHBondContact O-CB 3.49Å; I87-L91 PolarHBondContact O-N 2.84Å; L88-L91 PolarHBondContact O-N 3.12Å; T89-L91 VanDerWaalsContact C-N 3.33Å; T89-L91 PolarHBondContact O-N 3.46Å; L91-L93 VanDerWaalsContact C-N 3.31Å; L91-L93 PolarHBondContact O-N 3.44Å; L91-K94 PolarHBondContact O-N 2.88Å; L91-F95 WeakPolarHBondContact O-CB 3.34Å; L91-F95 PolarHBondContact O-N 3.24Å |
| 92 | S | 78.8 | Confident | 77.3 | Confident | 53 Ų | 53 | 52.1 Ų | 52.1 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.2 | -38.4 | 171.9 | 73.4 | 0 | 0 | 0 | 0 | 112.9 | L88 T89 F95 V96 | L88-S92 VanDerWaalsContact O-CB 3.26Å; L88-S92 WeakPolarHBondContact O-CB 3.46Å; L88-S92 PolarHBondContact O-N 3.41Å; L88-S92 PolarHBondContact O-OG 3.02Å; T89-S92 PolarHBondContact O-N 3.34Å; T89-S92 PolarHBondContact O-OG 3.28Å; S92-F95 PolarHBondContact O-N 3.01Å; S92-V96 VanDerWaalsContact O-CG2 3.28Å; S92-V96 WeakPolarHBondContact O-CG2 3.28Å; S92-V96 PolarHBondContact O-N 3.36Å |
| 93 | L | 79.4 | Confident | 77.3 | Confident | 35 Ų | 35 | 50.1 Ų | 50.1 | 18% | 0.183 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.2 | -38.2 | -179.6 | -146.3 | 65.3 | 0 | 0 | 0 | 111.3 | T89 I90 L91 F97 P120 I123 L124 | T89-L93 WeakPolarHBondContact O-CB 3.39Å; T89-L93 PolarHBondContact O-N 3.5Å; I90-L93 PolarHBondContact O-N 2.95Å; L91-L93 VanDerWaalsContact C-N 3.31Å; L91-L93 PolarHBondContact O-N 3.44Å; L93-F97 PolarHBondContact O-N 3.21Å; L93-F97 VanDerWaalsContact O-N 3.09Å; L93-P120 HydrophobicContact CD1-CB 4.38Å; L93-P120 VanDerWaalsContact CD2-O 3.26Å; L93-P120 WeakPolarHBondContact CD2-O 3.36Å; L93-P120 HydrophobicContact CG-CB 3.94Å; L93-I123 HydrophobicContact CD2-CB 4Å; L93-I123 HydrophobicContact CD2-CG2 3.76Å; L93-L124 HydrophobicContact CD2-CB 4.13Å |
| 94 | K | 81.5 | Confident | 77.4 | Confident | 47 Ų | 47 | 46.5 Ų | 46.5 | 20% | 0.204 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 170.3 | 176.2 | -174.4 | 161.2 | -69.1 | 0 | 111.4 | D57 I90 L91 V96 F97 E98 | D57-K94 IonicContact OD1-NZ 3.47Å; D57-K94 PolarHBondContact OD1-NZ 2.91Å; I90-K94 PolarHBondContact O-N 3.46Å; L91-K94 PolarHBondContact O-N 2.88Å; K94-V96 PolarHBondContact O-N 3Å; K94-F97 WeakPolarHBondContact O-CB 3.26Å; K94-F97 PolarHBondContact O-N 3.09Å; K94-E98 WeakPolarHBondContact CE-OE1 3.32Å; K94-E98 IonicContact NZ-OE1 2.83Å; K94-E98 PolarHBondContact NZ-OE1 3.43Å; K94-E98 IonicContact NZ-OE2 2.68Å; K94-E98 PolarHBondContact NZ-OE2 3.42Å; K94-E98 WeakPolarHBondContact O-CG 3.21Å; K94-E98 PolarHBondContact O-N 3.22Å |
| 95 | F | 80.4 | Confident | 77.3 | Confident | 82 Ų | 82 | 47.1 Ų | 47.1 | 36% | 0.36 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.3 | -44.4 | 177.1 | 178.8 | -96.3 | 0 | 0 | 0 | 111.9 | F54 L91 S92 F97 E98 M99 | F54-F95 AromaticContact CD1-CD2 3.81Å; F54-F95 HydrophobicContact CD1-CD2 3.81Å; F54-F95 AromaticContact CD1-CE2 3.4Å; F54-F95 HydrophobicContact CD1-CE2 3.4Å; F54-F95 VanDerWaalsContact CD1-CE2 3.4Å; F54-F95 HydrophobicContact CD1-CZ 4.42Å; F54-F95 AromaticContact CE1-CD2 3.91Å; F54-F95 HydrophobicContact CE1-CD2 3.91Å; F54-F95 AromaticContact CE1-CE2 3.48Å; F54-F95 HydrophobicContact CE1-CE2 3.48Å; F54-F95 VanDerWaalsContact CE1-CE2 3.48Å; F54-F95 HydrophobicContact CE1-CZ 4.2Å; L91-F95 WeakPolarHBondContact O-CB 3.34Å; L91-F95 PolarHBondContact O-N 3.24Å; S92-F95 PolarHBondContact O-N 3.01Å; F95-F97 VanDerWaalsContact C-N 3.31Å; F95-F97 PolarHBondContact O-N 3.49Å; F95-E98 PolarHBondContact O-N 3.48Å; F95-M99 HydrophobicContact CD1-CG 4Å; F95-M99 HydrophobicContact CE1-CG 3.56Å; F95-M99 HydrophobicContact CE1-SD 4.33Å; F95-M99 HydrophobicContact CE2-CG 4.17Å; F95-M99 HydrophobicContact CE2-SD 4.41Å; F95-M99 HydrophobicContact CG-CG 4.47Å; F95-M99 HydrophobicContact CZ-CG 3.65Å; F95-M99 HydrophobicContact CZ-SD 3.88Å; F95-M99 WeakPolarHBondContact O-CB 3.48Å; F95-M99 VanDerWaalsContact O-CG 3.31Å; F95-M99 WeakPolarHBondContact O-CG 3.49Å; F95-M99 PolarHBondContact O-N 2.98Å |
| 96 | V | 81.6 | Confident | 77.1 | Confident | 67 Ų | 67 | 43.5 Ų | 43.5 | 41% | 0.406 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 176 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | S92 K94 M99 L100 P120 | S92-V96 VanDerWaalsContact O-CG2 3.28Å; S92-V96 WeakPolarHBondContact O-CG2 3.28Å; S92-V96 PolarHBondContact O-N 3.36Å; K94-V96 PolarHBondContact O-N 3Å; V96-M99 PolarHBondContact O-N 3.38Å; V96-L100 HydrophobicContact CG1-CD1 3.73Å; V96-L100 HydrophobicContact CG1-CG 4.34Å; V96-L100 WeakPolarHBondContact O-CB 3.34Å; V96-L100 WeakPolarHBondContact O-CD1 3.26Å; V96-L100 VanDerWaalsContact O-CG 3.24Å; V96-L100 WeakPolarHBondContact O-CG 3.26Å; V96-L100 PolarHBondContact O-N 2.9Å; V96-P120 HydrophobicContact CG1-CG 4.38Å |
| 97 | F | 80.1 | Confident | 76.5 | Confident | 46 Ų | 46 | 47.3 Ų | 47.3 | 20% | 0.202 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.2 | -48.3 | 174 | 173.6 | -106 | 0 | 0 | 0 | 112.5 | L93 K94 F95 M99 L100 L101 I117 M118 P120 V121 | L93-F97 PolarHBondContact O-N 3.21Å; L93-F97 VanDerWaalsContact O-N 3.09Å; K94-F97 WeakPolarHBondContact O-CB 3.26Å; K94-F97 PolarHBondContact O-N 3.09Å; F95-F97 VanDerWaalsContact C-N 3.31Å; F95-F97 PolarHBondContact O-N 3.49Å; F97-M99 VanDerWaalsContact C-N 3.34Å; F97-M99 PolarHBondContact O-N 3.22Å; F97-L100 PolarHBondContact O-N 3.4Å; F97-L101 HydrophobicContact CD1-CD1 3.88Å; F97-L101 HydrophobicContact CD2-CD1 4.48Å; F97-L101 HydrophobicContact CE1-CD1 3.3Å; F97-L101 HydrophobicContact CE1-CG 4.27Å; F97-L101 HydrophobicContact CE2-CD1 3.98Å; F97-L101 HydrophobicContact CE2-CG 4.16Å; F97-L101 HydrophobicContact CG-CD1 4.46Å; F97-L101 HydrophobicContact CZ-CD1 3.37Å; F97-L101 HydrophobicContact CZ-CD2 4.48Å; F97-L101 HydrophobicContact CZ-CG 4.04Å; F97-L101 WeakPolarHBondContact O-CB 3.32Å; F97-L101 WeakPolarHBondContact O-CG 3.5Å; F97-L101 PolarHBondContact O-N 3.08Å; F97-I117 HydrophobicContact CD2-CG2 4.26Å; F97-I117 WeakPolarHBondContact CD2-O 3.31Å; F97-I117 HydrophobicContact CE2-CG2 3.97Å; F97-I117 WeakPolarHBondContact CE2-O 3.45Å; F97-M118 HydrophobicContact CE2-SD 4.08Å; F97-P120 HydrophobicContact CB-CB 4.23Å; F97-V121 HydrophobicContact CD1-CG2 4.29Å; F97-V121 HydrophobicContact CD2-CG2 3.57Å; F97-V121 HydrophobicContact CE1-CG2 4.3Å; F97-V121 HydrophobicContact CE2-CG2 3.59Å; F97-V121 HydrophobicContact CG-CG2 3.92Å; F97-V121 HydrophobicContact CZ-CG2 3.95Å |
| 98 | E | 78.3 | Confident | 75.7 | Confident | 14 Ų | 14 | 55 Ų | 55 | 7% | 0.065 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 178.3 | -73 | 172.7 | -174.1 | 0 | 0 | 111.8 | F54 K94 F95 L101 C102 | F54-E98 HydrophobicContact CE1-CB 4.37Å; K94-E98 WeakPolarHBondContact CE-OE1 3.32Å; K94-E98 IonicContact NZ-OE1 2.83Å; K94-E98 PolarHBondContact NZ-OE1 3.43Å; K94-E98 IonicContact NZ-OE2 2.68Å; K94-E98 PolarHBondContact NZ-OE2 3.42Å; K94-E98 WeakPolarHBondContact O-CG 3.21Å; K94-E98 PolarHBondContact O-N 3.22Å; F95-E98 PolarHBondContact O-N 3.48Å; E98-L101 PolarHBondContact O-N 2.79Å; E98-C102 WeakPolarHBondContact O-CB 3.48Å; E98-C102 PolarHBondContact O-N 2.96Å |
| 99 | M | 76.3 | Confident | 74.4 | Confident | 48 Ų | 48 | 53.2 Ų | 53.2 | 24% | 0.236 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 175.6 | -74 | -67.5 | -68.7 | 0 | 0 | 112.4 | W47 F54 F95 V96 F97 L101 C102 Q103 | W47-M99 HydrophobicContact CH2-CE 3.76Å; W47-M99 HydrophobicContact CH2-SD 4.17Å; W47-M99 HydrophobicContact CZ3-CE 4.12Å; W47-M99 HydrophobicContact CZ3-SD 3.98Å; F54-M99 HydrophobicContact CE1-CG 3.93Å; F54-M99 HydrophobicContact CE1-SD 3.55Å; F54-M99 VanDerWaalsContact CE1-SD 3.55Å; F54-M99 HydrophobicContact CE2-SD 4.46Å; F54-M99 HydrophobicContact CZ-CG 4.19Å; F54-M99 HydrophobicContact CZ-SD 3.39Å; F54-M99 WeakPolarHBondContact CZ-SD 3.2Å; F95-M99 HydrophobicContact CD1-CG 4Å; F95-M99 HydrophobicContact CE1-CG 3.56Å; F95-M99 HydrophobicContact CE1-SD 4.33Å; F95-M99 HydrophobicContact CE2-CG 4.17Å; F95-M99 HydrophobicContact CE2-SD 4.41Å; F95-M99 HydrophobicContact CG-CG 4.47Å; F95-M99 HydrophobicContact CZ-CG 3.65Å; F95-M99 HydrophobicContact CZ-SD 3.88Å; F95-M99 WeakPolarHBondContact O-CB 3.48Å; F95-M99 VanDerWaalsContact O-CG 3.31Å; F95-M99 WeakPolarHBondContact O-CG 3.49Å; F95-M99 PolarHBondContact O-N 2.98Å; V96-M99 PolarHBondContact O-N 3.38Å; F97-M99 VanDerWaalsContact C-N 3.34Å; F97-M99 PolarHBondContact O-N 3.22Å; M99-L101 VanDerWaalsContact C-N 3.32Å; M99-L101 PolarHBondContact O-N 3.35Å; M99-C102 PolarHBondContact O-N 3.44Å; M99-Q103 WeakPolarHBondContact O-CG 3.48Å; M99-Q103 PolarHBondContact O-N 3.49Å |
| 100 | L | 75 | Confident | 73 | Confident | 33 Ų | 33 | 62.8 Ų | 62.8 | 17% | 0.173 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.1 | -39 | 176.7 | -76.2 | 165.5 | 0 | 0 | 0 | 111.5 | V96 F97 K104 L112 P120 | V96-L100 HydrophobicContact CG1-CD1 3.73Å; V96-L100 HydrophobicContact CG1-CG 4.34Å; V96-L100 WeakPolarHBondContact O-CB 3.34Å; V96-L100 WeakPolarHBondContact O-CD1 3.26Å; V96-L100 VanDerWaalsContact O-CG 3.24Å; V96-L100 WeakPolarHBondContact O-CG 3.26Å; V96-L100 PolarHBondContact O-N 2.9Å; F97-L100 PolarHBondContact O-N 3.4Å; L100-K104 WeakPolarHBondContact O-CB 3.41Å; L100-K104 PolarHBondContact O-N 2.99Å; L100-L112 HydrophobicContact CD2-CD2 4.16Å; L100-P120 HydrophobicContact CD1-CG 4.25Å |
| 101 | L | 74.4 | Confident | 71.8 | Confident | 47 Ų | 47 | 70.2 Ų | 70.2 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 173.3 | -79 | 177.9 | 0 | 0 | 0 | 111.7 | F50 F97 E98 M99 Q103 K104 L105 I117 | F50-L101 HydrophobicContact CE1-CB 4.48Å; F50-L101 HydrophobicContact CZ-CB 4.27Å; F97-L101 HydrophobicContact CD1-CD1 3.88Å; F97-L101 HydrophobicContact CD2-CD1 4.48Å; F97-L101 HydrophobicContact CE1-CD1 3.3Å; F97-L101 HydrophobicContact CE1-CG 4.27Å; F97-L101 HydrophobicContact CE2-CD1 3.98Å; F97-L101 HydrophobicContact CE2-CG 4.16Å; F97-L101 HydrophobicContact CG-CD1 4.46Å; F97-L101 HydrophobicContact CZ-CD1 3.37Å; F97-L101 HydrophobicContact CZ-CD2 4.48Å; F97-L101 HydrophobicContact CZ-CG 4.04Å; F97-L101 WeakPolarHBondContact O-CB 3.32Å; F97-L101 WeakPolarHBondContact O-CG 3.5Å; F97-L101 PolarHBondContact O-N 3.08Å; E98-L101 PolarHBondContact O-N 2.79Å; M99-L101 VanDerWaalsContact C-N 3.32Å; M99-L101 PolarHBondContact O-N 3.35Å; L101-Q103 VanDerWaalsContact C-N 3.34Å; L101-Q103 PolarHBondContact O-N 2.72Å; L101-K104 PolarHBondContact O-N 2.87Å; L101-L105 WeakPolarHBondContact O-CD1 3.43Å; L101-L105 PolarHBondContact O-N 3.35Å; L101-I117 HydrophobicContact CD2-CG2 3.64Å; L101-I117 HydrophobicContact CG-CG2 4.02Å |
| 102 | C | 75.1 | Confident | 70.7 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 178.5 | -171.8 | 0 | 0 | 0 | 0 | 111.1 | F50 E98 M99 K104 L105 V106 | F50-C102 HydrophobicContact CD2-CB 3.84Å; F50-C102 HydrophobicContact CE2-CB 4.06Å; F50-C102 HydrophobicContact CG-CB 4.2Å; E98-C102 WeakPolarHBondContact O-CB 3.48Å; E98-C102 PolarHBondContact O-N 2.96Å; M99-C102 PolarHBondContact O-N 3.44Å; C102-K104 PolarHBondContact O-N 3.31Å; C102-L105 PolarHBondContact O-N 2.92Å; C102-V106 WeakPolarHBondContact O-CB 3.31Å; C102-V106 VanDerWaalsContact O-CG2 3.24Å; C102-V106 WeakPolarHBondContact O-CG2 3.24Å; C102-V106 PolarHBondContact O-N 3.35Å |
| 103 | Q | 72.6 | Confident | 70.1 | Confident | 85 Ų | 85 | 79.3 Ų | 79.3 | 40% | 0.397 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.1 | -45 | 175.5 | -75.9 | -178.9 | -11.5 | 0 | 0 | 112.3 | M99 L101 L105 V106 E107 | M99-Q103 WeakPolarHBondContact O-CG 3.48Å; M99-Q103 PolarHBondContact O-N 3.49Å; L101-Q103 VanDerWaalsContact C-N 3.34Å; L101-Q103 PolarHBondContact O-N 2.72Å; Q103-L105 VanDerWaalsContact C-N 3.31Å; Q103-L105 PolarHBondContact O-N 3.02Å; Q103-V106 PolarHBondContact O-N 3.04Å; Q103-E107 WeakPolarHBondContact O-CB 3.48Å; Q103-E107 PolarHBondContact O-N 3.27Å |
| 104 | K | 73 | Confident | 69.4 | Low | 32 Ų | 32 | 86.3 Ų | 86.3 | 14% | 0.139 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 177.1 | -175.9 | 69.1 | 176.2 | -170.2 | 0 | 112.3 | L100 L101 C102 H108 T109 L112 I117 | L100-K104 WeakPolarHBondContact O-CB 3.41Å; L100-K104 PolarHBondContact O-N 2.99Å; L101-K104 PolarHBondContact O-N 2.87Å; C102-K104 PolarHBondContact O-N 3.31Å; K104-H108 PolarHBondContact O-N 3.23Å; K104-T109 PolarHBondContact NZ-O 3.28Å; K104-L112 HydrophobicContact CD-CB 3.95Å; K104-L112 PolarHBondContact NZ-O 2.93Å; K104-I117 HydrophobicContact CB-CD1 3.97Å; K104-I117 HydrophobicContact CD-CD1 4.02Å; K104-I117 HydrophobicContact CG-CD1 3.82Å |
| 105 | L | 70.6 | Confident | 68.7 | Low | 58 Ų | 58 | 86.7 Ų | 86.7 | 30% | 0.304 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -74.8 | -37.6 | 179.7 | -89.1 | 83.4 | 0 | 0 | 0 | 112.9 | W46 F50 L101 C102 Q103 | W46-L105 HydrophobicContact CD2-CB 3.89Å; W46-L105 HydrophobicContact CD2-CD2 3.99Å; W46-L105 HydrophobicContact CE3-CB 4.18Å; W46-L105 HydrophobicContact CE3-CD2 3.43Å; W46-L105 VanDerWaalsContact CE3-CD2 3.43Å; W46-L105 HydrophobicContact CE3-CG 4.41Å; W46-L105 HydrophobicContact CG-CB 4.1Å; W46-L105 HydrophobicContact CH2-CD2 3.78Å; W46-L105 HydrophobicContact CZ2-CD2 4.28Å; W46-L105 HydrophobicContact CZ3-CD2 3.34Å; W46-L105 PolarHBondContact NE1-O 3.48Å; W46-L105 VanDerWaalsContact NE1-O 3.13Å; F50-L105 HydrophobicContact CE2-CD2 4.42Å; L101-L105 WeakPolarHBondContact O-CD1 3.43Å; L101-L105 PolarHBondContact O-N 3.35Å; C102-L105 PolarHBondContact O-N 2.92Å; Q103-L105 VanDerWaalsContact C-N 3.31Å; Q103-L105 PolarHBondContact O-N 3.02Å |
| 106 | V | 71.9 | Confident | 68.2 | Low | 63 Ų | 63 | 87.9 Ų | 87.9 | 38% | 0.382 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 177.2 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | W46 C102 Q103 | W46-V106 HydrophobicContact CB-CG2 3.63Å; W46-V106 HydrophobicContact CG-CG2 4.23Å; C102-V106 WeakPolarHBondContact O-CB 3.31Å; C102-V106 VanDerWaalsContact O-CG2 3.24Å; C102-V106 WeakPolarHBondContact O-CG2 3.24Å; C102-V106 PolarHBondContact O-N 3.35Å; Q103-V106 PolarHBondContact O-N 3.04Å |
| 107 | E | 64.6 | Low | 67.7 | Low | 133 Ų | 133 | 84.9 Ų | 84.9 | 62% | 0.621 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -102.2 | -3.5 | -159.6 | -152.6 | 160.8 | -134.3 | 0 | 0 | 111.8 | Q103 T109 | Q103-E107 WeakPolarHBondContact O-CB 3.48Å; Q103-E107 PolarHBondContact O-N 3.27Å; E107-T109 WeakPolarHBondContact CB-OG1 3.16Å; E107-T109 VanDerWaalsContact CG-OG1 3.31Å; E107-T109 WeakPolarHBondContact CG-OG1 3.43Å; E107-T109 PolarHBondContact O-N 3.48Å; E107-T109 PolarHBondContact O-OG1 2.9Å |
| 108 | H | 59.3 | Low | 67.3 | Low | 170 Ų | 170 | 86.6 Ų | 86.6 | 79% | 0.787 | 41% | 0.41 | S | S | * | . | trans | 44.1 | 28.6 | -176.1 | -150.5 | 66.3 | 0 | 0 | 0 | 112.2 | K104 R110 | K104-H108 PolarHBondContact O-N 3.23Å; H108-R110 PolarHBondContact O-N 3.42Å | ||
| 109 | T | 52.6 | Low | 67.4 | Low | 45 Ų | 45 | 88.2 Ų | 88.2 | 28% | 0.276 | 42% | 0.422 | S | S | . | . | trans | -71.1 | 108.8 | -166.5 | -36.9 | 0 | 0 | 0 | 0 | 107.7 | K104 E107 E111 | K104-T109 PolarHBondContact NZ-O 3.28Å; E107-T109 WeakPolarHBondContact CB-OG1 3.16Å; E107-T109 VanDerWaalsContact CG-OG1 3.31Å; E107-T109 WeakPolarHBondContact CG-OG1 3.43Å; E107-T109 PolarHBondContact O-N 3.48Å; E107-T109 PolarHBondContact O-OG1 2.9Å; T109-E111 PolarHBondContact O-N 2.89Å | ||
| 110 | R | 50.8 | Low | 67.5 | Low | 242 Ų | 242 | 86.5 Ų | 86.5 | 91% | 0.913 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -5.6 | -174.3 | -136.5 | 169.4 | 175.4 | 169.9 | -2.6 | 113.7 | H108 | H108-R110 PolarHBondContact O-N 3.42Š|
| 111 | E | 53 | Low | 67.6 | Low | 164 Ų | 164 | 87.5 Ų | 87.5 | 77% | 0.766 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.2 | -11 | -168.7 | -59.9 | -117.6 | 146.3 | 0 | 0 | 115.5 | T109 W113 | T109-E111 PolarHBondContact O-N 2.89Å; E111-W113 PolarHBondContact O-N 3.34Å; E111-W113 VanDerWaalsContact O-N 3.12Å |
| 112 | L | 55.6 | Low | 67.8 | Low | 42 Ų | 42 | 91 Ų | 91 | 22% | 0.22 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -75.1 | 107.6 | 170.5 | -96.9 | 100.9 | 0 | 0 | 0 | 109.7 | L100 K104 Y114 I117 | L100-L112 HydrophobicContact CD2-CD2 4.16Å; K104-L112 HydrophobicContact CD-CB 3.95Å; K104-L112 PolarHBondContact NZ-O 2.93Å; L112-Y114 PolarHBondContact O-N 3.48Å; L112-I117 HydrophobicContact CB-CD1 4.41Å; L112-I117 HydrophobicContact CD2-CG1 4.2Å |
| 113 | W | 65.1 | Low | 68.1 | Low | 213 Ų | 213 | 94.4 Ų | 94.4 | 81% | 0.807 | 45% | 0.453 | S | S | * | . | trans | -60 | 130.7 | 174.1 | -75.1 | 80.7 | 0 | 0 | 0 | 110.3 | E111 G115 L116 I117 | E111-W113 PolarHBondContact O-N 3.34Å; E111-W113 VanDerWaalsContact O-N 3.12Å; W113-G115 PolarHBondContact O-N 2.96Å; W113-L116 PolarHBondContact O-N 3.31Å; W113-I117 PolarHBondContact O-N 2.97Å | ||
| 114 | Y | 65.3 | Low | 68.3 | Low | 181 Ų | 181 | 92.1 Ų | 92.1 | 71% | 0.71 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -52.8 | -28.2 | 175.4 | -78.3 | -84.1 | 0 | 0 | 0 | 112.6 | L112 L116 I117 M118 | L112-Y114 PolarHBondContact O-N 3.48Å; Y114-L116 PolarHBondContact O-N 3.28Å; Y114-I117 PolarHBondContact O-N 3.05Å; Y114-M118 WeakPolarHBondContact O-CB 3.38Å; Y114-M118 VanDerWaalsContact O-CG 3.27Å; Y114-M118 WeakPolarHBondContact O-CG 3.46Å; Y114-M118 PolarHBondContact O-N 3.33Å |
| 115 | G | 66.5 | Low | 68.5 | Low | 55 Ų | 55 | 96.1 Ų | 96.1 | 57% | 0.567 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.6 | -36.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | W113 S119 | W113-G115 PolarHBondContact O-N 2.96Å; G115-S119 WeakPolarHBondContact O-CB 3.36Å; G115-S119 PolarHBondContact O-N 3.02Å; G115-S119 VanDerWaalsContact O-N 3.08Å |
| 116 | L | 69.6 | Low | 69 | Low | 108 Ų | 108 | 99 Ų | 99 | 57% | 0.565 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -73.2 | -38.5 | 178.7 | -170.4 | 67 | 0 | 0 | 0 | 111.2 | W113 Y114 S119 P120 | W113-L116 PolarHBondContact O-N 3.31Å; Y114-L116 PolarHBondContact O-N 3.28Å; L116-S119 WeakPolarHBondContact O-CB 3.36Å; L116-S119 PolarHBondContact O-N 2.93Å; L116-P120 WeakPolarHBondContact O-CD 3.45Å |
| 117 | I | 72.6 | Confident | 69.3 | Low | 4 Ų | 4 | 98.1 Ų | 98.1 | 2% | 0.021 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 176.4 | -62.1 | 171.1 | 0 | 0 | 0 | 110.5 | F97 L101 K104 L112 W113 Y114 P120 | F97-I117 HydrophobicContact CD2-CG2 4.26Å; F97-I117 WeakPolarHBondContact CD2-O 3.31Å; F97-I117 HydrophobicContact CE2-CG2 3.97Å; F97-I117 WeakPolarHBondContact CE2-O 3.45Å; L101-I117 HydrophobicContact CD2-CG2 3.64Å; L101-I117 HydrophobicContact CG-CG2 4.02Å; K104-I117 HydrophobicContact CB-CD1 3.97Å; K104-I117 HydrophobicContact CD-CD1 4.02Å; K104-I117 HydrophobicContact CG-CD1 3.82Å; L112-I117 HydrophobicContact CB-CD1 4.41Å; L112-I117 HydrophobicContact CD2-CG1 4.2Å; W113-I117 PolarHBondContact O-N 2.97Å; Y114-I117 PolarHBondContact O-N 3.05Å; I117-P120 VanDerWaalsContact O-CD 3.29Å; I117-P120 WeakPolarHBondContact O-CD 3.37Å |
| 118 | M | 71.6 | Confident | 69.7 | Low | 82 Ų | 82 | 93.7 Ų | 93.7 | 40% | 0.404 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -81.7 | -14.6 | -178.9 | -63.3 | -65.3 | -89.1 | 0 | 0 | 113.4 | F97 Y114 V121 F122 | F97-M118 HydrophobicContact CE2-SD 4.08Å; Y114-M118 WeakPolarHBondContact O-CB 3.38Å; Y114-M118 VanDerWaalsContact O-CG 3.27Å; Y114-M118 WeakPolarHBondContact O-CG 3.46Å; Y114-M118 PolarHBondContact O-N 3.33Å; M118-V121 WeakPolarHBondContact O-CB 3.29Å; M118-V121 PolarHBondContact O-N 2.9Å; M118-F122 HydrophobicContact CB-CD2 3.98Å; M118-F122 HydrophobicContact CB-CE2 3.78Å; M118-F122 VanDerWaalsContact O-CD2 3.23Å; M118-F122 WeakPolarHBondContact O-CD2 3.13Å; M118-F122 PolarHBondContact O-N 2.98Å; M118-F122 VanDerWaalsContact O-N 3.07Å |
| 119 | S | 79.3 | Confident | 70.6 | Confident | 48 Ų | 48 | 91.4 Ų | 91.4 | 34% | 0.336 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -54.1 | -45.9 | -178 | 178.5 | 0 | 0 | 0 | 0 | 114.2 | G115 L116 V121 F122 I123 | G115-S119 WeakPolarHBondContact O-CB 3.36Å; G115-S119 PolarHBondContact O-N 3.02Å; G115-S119 VanDerWaalsContact O-N 3.08Å; L116-S119 WeakPolarHBondContact O-CB 3.36Å; L116-S119 PolarHBondContact O-N 2.93Å; S119-V121 VanDerWaalsContact C-N 3.26Å; S119-V121 PolarHBondContact O-N 3.36Å; S119-F122 PolarHBondContact O-N 2.92Å; S119-I123 WeakPolarHBondContact O-CG1 3.47Å; S119-I123 PolarHBondContact O-N 3.32Å |
| 120 | P | 78.5 | Confident | 71.8 | Confident | 12 Ų | 12 | 94.1 Ų | 94.1 | 8% | 0.078 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -57.3 | -37.3 | 175.1 | -24.7 | 35 | 0 | 0 | 0 | 113.2 | L93 V96 F97 L100 L116 I117 L124 | L93-P120 HydrophobicContact CD1-CB 4.38Å; L93-P120 VanDerWaalsContact CD2-O 3.26Å; L93-P120 WeakPolarHBondContact CD2-O 3.36Å; L93-P120 HydrophobicContact CG-CB 3.94Å; V96-P120 HydrophobicContact CG1-CG 4.38Å; F97-P120 HydrophobicContact CB-CB 4.23Å; L100-P120 HydrophobicContact CD1-CG 4.25Å; L116-P120 WeakPolarHBondContact O-CD 3.45Å; I117-P120 VanDerWaalsContact O-CD 3.29Å; I117-P120 WeakPolarHBondContact O-CD 3.37Å; P120-L124 WeakPolarHBondContact O-CB 3.24Å; P120-L124 PolarHBondContact O-N 3.21Å |
| 121 | V | 77.3 | Confident | 72.7 | Confident | 54 Ų | 54 | 85 Ų | 85 | 33% | 0.327 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -70.4 | -41.4 | 178.7 | -180 | 0 | 0 | 0 | 0 | 111 | F97 M118 S119 L124 L125 | F97-V121 HydrophobicContact CD1-CG2 4.29Å; F97-V121 HydrophobicContact CD2-CG2 3.57Å; F97-V121 HydrophobicContact CE1-CG2 4.3Å; F97-V121 HydrophobicContact CE2-CG2 3.59Å; F97-V121 HydrophobicContact CG-CG2 3.92Å; F97-V121 HydrophobicContact CZ-CG2 3.95Å; M118-V121 WeakPolarHBondContact O-CB 3.29Å; M118-V121 PolarHBondContact O-N 2.9Å; S119-V121 VanDerWaalsContact C-N 3.26Å; S119-V121 PolarHBondContact O-N 3.36Å; V121-L124 WeakPolarHBondContact O-CB 3.27Å; V121-L124 PolarHBondContact O-N 3.36Å; V121-L125 WeakPolarHBondContact O-CB 3.49Å; V121-L125 PolarHBondContact O-N 3.37Å |
| 122 | F | 78.9 | Confident | 73.5 | Confident | 119 Ų | 119 | 78.2 Ų | 78.2 | 52% | 0.522 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 176.1 | -79.4 | -71.9 | 0 | 0 | 0 | 112.2 | M118 S119 L124 L125 Q126 | M118-F122 HydrophobicContact CB-CD2 3.98Å; M118-F122 HydrophobicContact CB-CE2 3.78Å; M118-F122 VanDerWaalsContact O-CD2 3.23Å; M118-F122 WeakPolarHBondContact O-CD2 3.13Å; M118-F122 PolarHBondContact O-N 2.98Å; M118-F122 VanDerWaalsContact O-N 3.07Å; S119-F122 PolarHBondContact O-N 2.92Å; F122-L124 VanDerWaalsContact C-N 3.33Å; F122-L125 PolarHBondContact O-N 3.24Å; F122-Q126 WeakPolarHBondContact O-CG 3.33Å; F122-Q126 PolarHBondContact O-N 3.2Å |
| 123 | I | 80.5 | Confident | 74.1 | Confident | 73 Ų | 73 | 80.7 Ų | 80.7 | 37% | 0.374 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 175.2 | -65.5 | 164.9 | 0 | 0 | 0 | 110 | L93 S119 L125 Q126 L127 | L93-I123 HydrophobicContact CD2-CB 4Å; L93-I123 HydrophobicContact CD2-CG2 3.76Å; S119-I123 WeakPolarHBondContact O-CG1 3.47Å; S119-I123 PolarHBondContact O-N 3.32Å; I123-L125 VanDerWaalsContact C-N 3.34Å; I123-L125 PolarHBondContact O-N 3.44Å; I123-Q126 PolarHBondContact O-N 2.72Å; I123-L127 HydrophobicContact CG2-CD1 4.03Å; I123-L127 HydrophobicContact CG2-CG 4.46Å; I123-L127 WeakPolarHBondContact O-CB 3.23Å; I123-L127 WeakPolarHBondContact O-CG 3.5Å; I123-L127 PolarHBondContact O-N 2.99Å |
| 124 | L | 78.5 | Confident | 74.2 | Confident | 37 Ų | 37 | 80.6 Ų | 80.6 | 19% | 0.194 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 175.9 | -176.4 | 63.6 | 0 | 0 | 0 | 111.8 | I90 L93 P120 V121 F122 Q126 L127 L128 | I90-L124 HydrophobicContact CB-CD1 3.91Å; I90-L124 HydrophobicContact CD1-CD1 4.04Å; I90-L124 HydrophobicContact CG1-CD1 3.55Å; I90-L124 HydrophobicContact CG2-CD1 3.61Å; L93-L124 HydrophobicContact CD2-CB 4.13Å; P120-L124 WeakPolarHBondContact O-CB 3.24Å; P120-L124 PolarHBondContact O-N 3.21Å; V121-L124 WeakPolarHBondContact O-CB 3.27Å; V121-L124 PolarHBondContact O-N 3.36Å; F122-L124 VanDerWaalsContact C-N 3.33Å; L124-Q126 PolarHBondContact O-N 3.13Å; L124-L127 PolarHBondContact O-N 2.98Å; L124-L128 HydrophobicContact CG-CD1 4.24Å; L124-L128 WeakPolarHBondContact O-CG 3.16Å; L124-L128 PolarHBondContact O-N 3.01Å |
| 125 | L | 77.3 | Confident | 73.9 | Confident | 116 Ų | 116 | 75.2 Ų | 75.2 | 61% | 0.607 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.7 | -41.5 | -179.8 | -155.9 | 82.5 | 0 | 0 | 0 | 111.7 | V121 F122 I123 L128 M129 | V121-L125 WeakPolarHBondContact O-CB 3.49Å; V121-L125 PolarHBondContact O-N 3.37Å; F122-L125 PolarHBondContact O-N 3.24Å; I123-L125 VanDerWaalsContact C-N 3.34Å; I123-L125 PolarHBondContact O-N 3.44Å; L125-L128 PolarHBondContact O-N 3.19Å; L125-M129 PolarHBondContact O-N 3.02Å |
| 126 | Q | 80.4 | Confident | 72.8 | Confident | 117 Ų | 117 | 82.6 Ų | 82.6 | 55% | 0.547 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 176.3 | -72.3 | 173.4 | 8.7 | 0 | 0 | 111.9 | F122 I123 L124 L128 M129 I130 | F122-Q126 WeakPolarHBondContact O-CG 3.33Å; F122-Q126 PolarHBondContact O-N 3.2Å; I123-Q126 PolarHBondContact O-N 2.72Å; L124-Q126 PolarHBondContact O-N 3.13Å; Q126-L128 VanDerWaalsContact C-N 3.33Å; Q126-L128 PolarHBondContact O-N 3.08Å; Q126-M129 PolarHBondContact O-N 3.32Å; Q126-I130 WeakPolarHBondContact O-CG1 3.29Å; Q126-I130 PolarHBondContact O-N 3.03Å |
| 127 | L | 78.1 | Confident | 73 | Confident | 46 Ų | 46 | 81.4 Ų | 81.4 | 24% | 0.241 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 175.6 | -75.7 | 171.8 | 0 | 0 | 0 | 111.9 | W86 I123 L124 I130 R131 | W86-L127 HydrophobicContact CH2-CB 3.72Å; W86-L127 HydrophobicContact CH2-CD2 3.85Å; W86-L127 HydrophobicContact CH2-CG 4.31Å; W86-L127 WeakPolarHBondContact CH2-O 3.32Å; W86-L127 HydrophobicContact CZ2-CB 4.06Å; W86-L127 HydrophobicContact CZ3-CD2 4.06Å; I123-L127 HydrophobicContact CG2-CD1 4.03Å; I123-L127 HydrophobicContact CG2-CG 4.46Å; I123-L127 WeakPolarHBondContact O-CB 3.23Å; I123-L127 WeakPolarHBondContact O-CG 3.5Å; I123-L127 PolarHBondContact O-N 2.99Å; L124-L127 PolarHBondContact O-N 2.98Å; L127-I130 PolarHBondContact O-N 3.5Å; L127-R131 PolarHBondContact O-N 3.42Å; L127-R131 VanDerWaalsContact O-N 3.14Å |
| 128 | L | 73.5 | Confident | 73 | Confident | 39 Ų | 39 | 85.4 Ų | 85.4 | 20% | 0.204 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 175.2 | -72.7 | 169.7 | 0 | 0 | 0 | 112 | L12 I90 L124 L125 Q126 R131 A132 | L12-L128 HydrophobicContact CD1-CD1 4.14Å; L12-L128 HydrophobicContact CD1-CD2 3.63Å; I90-L128 HydrophobicContact CD1-CD2 4.32Å; L124-L128 HydrophobicContact CG-CD1 4.24Å; L124-L128 WeakPolarHBondContact O-CG 3.16Å; L124-L128 PolarHBondContact O-N 3.01Å; L125-L128 PolarHBondContact O-N 3.19Å; Q126-L128 VanDerWaalsContact C-N 3.33Å; Q126-L128 PolarHBondContact O-N 3.08Å; L128-R131 PolarHBondContact O-N 3.43Å; L128-A132 WeakPolarHBondContact O-CB 3.46Å; L128-A132 PolarHBondContact O-N 3.07Å |
| 129 | M | 77.7 | Confident | 73.1 | Confident | 123 Ų | 123 | 85.6 Ų | 85.6 | 61% | 0.606 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.4 | -45.2 | 177.1 | -168.3 | -176.3 | 78.7 | 0 | 0 | 112 | L125 Q126 R131 A132 C133 | L125-M129 PolarHBondContact O-N 3.02Å; Q126-M129 PolarHBondContact O-N 3.32Å; M129-R131 VanDerWaalsContact C-N 3.29Å; M129-R131 PolarHBondContact O-N 3.35Å; M129-A132 WeakPolarHBondContact O-CB 3.47Å; M129-A132 PolarHBondContact O-N 2.92Å; M129-C133 PolarHBondContact O-N 2.82Å; M129-C133 VanDerWaalsContact O-N 3.13Å; M129-C133 PolarHBondContact O-SG 3.03Å; M129-C133 VanDerWaalsContact O-SG 3.35Å |
| 130 | I | 78.2 | Confident | 72.7 | Confident | 102 Ų | 102 | 87.8 Ų | 87.8 | 52% | 0.523 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 177.7 | -66.5 | 165.5 | 0 | 0 | 0 | 110.8 | Q126 L127 C133 R134 | Q126-I130 WeakPolarHBondContact O-CG1 3.29Å; Q126-I130 PolarHBondContact O-N 3.03Å; L127-I130 PolarHBondContact O-N 3.5Å; I130-C133 PolarHBondContact O-N 3.47Å; I130-R134 WeakPolarHBondContact O-CG 3.34Å; I130-R134 PolarHBondContact O-N 3.47Å |
| 131 | R | 70.1 | Confident | 72.4 | Confident | 51 Ų | 51 | 92.6 Ų | 92.6 | 19% | 0.192 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -67.6 | -41.5 | 177.9 | -167.1 | 179.3 | -177.7 | -179.8 | 8.1 | 111.7 | W11 W86 L127 L128 M129 C133 R134 V135 | W11-R131 WeakPolarHBondContact O-CD 3.43Å; W11-R131 VanDerWaalsContact O-CZ 3.29Å; W11-R131 PolarHBondContact O-NH1 2.97Å; W86-R131 HydrophobicContact CH2-CB 4.48Å; W86-R131 HydrophobicContact CZ2-CB 4.13Å; W86-R131 VanDerWaalsContact NE1-NH1 3.1Å; L127-R131 PolarHBondContact O-N 3.42Å; L127-R131 VanDerWaalsContact O-N 3.14Å; L128-R131 PolarHBondContact O-N 3.43Å; M129-R131 VanDerWaalsContact C-N 3.29Å; M129-R131 PolarHBondContact O-N 3.35Å; R131-C133 VanDerWaalsContact C-N 3.25Å; R131-C133 PolarHBondContact O-N 2.9Å; R131-R134 PolarHBondContact O-N 2.88Å; R131-V135 HydrophobicContact CG-CG2 4.09Å; R131-V135 VanDerWaalsContact O-CG2 3.26Å; R131-V135 WeakPolarHBondContact O-CG2 3.31Å; R131-V135 PolarHBondContact O-N 3.12Å; R131-V135 VanDerWaalsContact O-N 3.12Å |
| 132 | A | 68.6 | Low | 72 | Confident | 20 Ų | 20 | 95.1 Ų | 95.1 | 17% | 0.165 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -55.7 | -41.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W11 L128 M129 R134 | W11-A132 HydrophobicContact CD2-CB 4.39Å; W11-A132 HydrophobicContact CE3-CB 3.81Å; W11-A132 HydrophobicContact CH2-CB 3.43Å; W11-A132 VanDerWaalsContact CH2-CB 3.43Å; W11-A132 HydrophobicContact CZ2-CB 4.04Å; W11-A132 HydrophobicContact CZ3-CB 3.3Å; L128-A132 WeakPolarHBondContact O-CB 3.46Å; L128-A132 PolarHBondContact O-N 3.07Å; M129-A132 WeakPolarHBondContact O-CB 3.47Å; M129-A132 PolarHBondContact O-N 2.92Å; A132-R134 VanDerWaalsContact C-N 3.31Å; A132-R134 PolarHBondContact O-N 2.76Å |
| 133 | C | 69.2 | Low | 71.5 | Confident | 95 Ų | 95 | 93.4 Ų | 93.4 | 64% | 0.642 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -71.4 | -20.1 | 177 | -62.8 | 0 | 0 | 0 | 0 | 114.4 | M129 I130 R131 | M129-C133 PolarHBondContact O-N 2.82Å; M129-C133 VanDerWaalsContact O-N 3.13Å; M129-C133 PolarHBondContact O-SG 3.03Å; M129-C133 VanDerWaalsContact O-SG 3.35Å; I130-C133 PolarHBondContact O-N 3.47Å; R131-C133 VanDerWaalsContact C-N 3.25Å; R131-C133 PolarHBondContact O-N 2.9Å |
| 134 | R | 65.6 | Low | 70.9 | Confident | 211 Ų | 211 | 95 Ų | 95 | 80% | 0.796 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -93.8 | -16.7 | -179.6 | -75.8 | -82.9 | -82 | -174.3 | -4.7 | 113.8 | I130 R131 A132 | I130-R134 WeakPolarHBondContact O-CG 3.34Å; I130-R134 PolarHBondContact O-N 3.47Å; R131-R134 PolarHBondContact O-N 2.88Å; A132-R134 VanDerWaalsContact C-N 3.31Å; A132-R134 PolarHBondContact O-N 2.76Å |
| 135 | V | 59.4 | Low | 70.2 | Confident | 68 Ų | 68 | 99.8 Ų | 99.8 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | trans | -94.9 | -0.3 | -175.6 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | R131 | R131-V135 HydrophobicContact CG-CG2 4.09Å; R131-V135 VanDerWaalsContact O-CG2 3.26Å; R131-V135 WeakPolarHBondContact O-CG2 3.31Å; R131-V135 PolarHBondContact O-N 3.12Å; R131-V135 VanDerWaalsContact O-N 3.12Å | ||
| 136 | N | 44.5 | Very low | 69.6 | Low | 210 Ų | 210 | 98.4 Ų | 98.4 | 100% | 1.123 | 50% | 0.496 | S | S | * | . | trans | -98 | 0 | 174.8 | -145.3 | 50.4 | 0 | 0 | 0 | 110.8 |
Retrieved 136 of 136 residues in 138 ms
(Link to these results)