| 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 | 55.3 | Low | 244 Ų | 244 | 120.1 Ų | 120.1 | 100% | 1.202 | 58% | 0.576 | S | S | * | * | 0 | 102.5 | 0 | -80 | 168 | 159.4 | 0 | 0 | 107.3 | |||||
| 2 | L | 47.3 | Very low | 55.6 | Low | 178 Ų | 178 | 113.4 Ų | 113.4 | 93% | 0.932 | 55% | 0.545 | S | S | * | . | trans | -71.8 | 123.9 | 170.1 | -97 | 138.2 | 0 | 0 | 0 | 106.8 | S4 | L2-S4 PolarHBondContact O-N 3.22Š| ||
| 3 | F | 50 | Low | 56 | Low | 135 Ų | 135 | 105.1 Ų | 105.1 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | trans | -42.2 | 131 | 177.3 | -75.6 | -86.8 | 0 | 0 | 0 | 111 | L5 W11 | F3-L5 PolarHBondContact O-N 3.21Å; F3-W11 HydrophobicContact CE1-CH2 4.09Å; F3-W11 HydrophobicContact CE1-CZ3 4.15Å | ||
| 4 | S | 66.2 | Low | 56.5 | Low | 60 Ų | 60 | 98.1 Ų | 98.1 | 42% | 0.42 | 47% | 0.473 | S | S | . | . | trans | -62.5 | 134.3 | 175.9 | 178.7 | 0 | 0 | 0 | 0 | 108.4 | L2 R6 E7 L8 | L2-S4 PolarHBondContact O-N 3.22Å; S4-R6 PolarHBondContact O-N 3.3Å; S4-E7 PolarHBondContact N-OE2 2.97Å; S4-E7 WeakPolarHBondContact O-CA 3.46Å; S4-E7 WeakPolarHBondContact O-CB 3.45Å; S4-E7 PolarHBondContact O-N 3.3Å; S4-L8 PolarHBondContact O-N 3.06Å; S4-L8 VanDerWaalsContact O-N 3.11Å | ||
| 5 | L | 54.5 | Low | 57.4 | Low | 109 Ų | 109 | 93.3 Ų | 93.3 | 57% | 0.571 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -50.9 | -28.6 | 176.3 | -86.6 | 161.6 | 0 | 0 | 0 | 112.2 | F3 V9 | F3-L5 PolarHBondContact O-N 3.21Å; L5-V9 VanDerWaalsContact O-CB 3.28Å; L5-V9 WeakPolarHBondContact O-CB 3.41Å; L5-V9 WeakPolarHBondContact O-CG2 3.49Å; L5-V9 PolarHBondContact O-N 3.3Å |
| 6 | R | 57.9 | Low | 58.5 | Low | 206 Ų | 206 | 93.3 Ų | 93.3 | 78% | 0.777 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -67.1 | -42.2 | 173.7 | -73.8 | -174.3 | 178 | -154.2 | -0.3 | 113.2 | S4 V9 Q10 | S4-R6 PolarHBondContact O-N 3.3Å; R6-V9 PolarHBondContact O-N 3.08Å; R6-Q10 VanDerWaalsContact O-CB 3.24Å; R6-Q10 WeakPolarHBondContact O-CB 3.39Å; R6-Q10 PolarHBondContact O-N 3.32Å |
| 7 | E | 58.1 | Low | 59.4 | Low | 93 Ų | 93 | 94 Ų | 94 | 44% | 0.435 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 177.2 | -69.8 | 169.1 | 157.3 | 0 | 0 | 110.3 | S4 V9 Q10 W11 | S4-E7 PolarHBondContact N-OE2 2.97Å; S4-E7 WeakPolarHBondContact O-CA 3.46Å; S4-E7 WeakPolarHBondContact O-CB 3.45Å; S4-E7 PolarHBondContact O-N 3.3Å; E7-V9 PolarHBondContact O-N 3.21Å; E7-Q10 PolarHBondContact O-N 3.47Å; E7-Q10 VanDerWaalsContact O-N 3.16Å; E7-W11 VanDerWaalsContact O-CB 3.3Å; E7-W11 WeakPolarHBondContact O-CB 3.45Å; E7-W11 PolarHBondContact O-N 3.17Å |
| 8 | L | 57.4 | Low | 60.5 | Low | 69 Ų | 69 | 89 Ų | 89 | 36% | 0.361 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 176.2 | -163.6 | 73.4 | 0 | 0 | 0 | 111.5 | S4 Q10 W11 L12 I19 | S4-L8 PolarHBondContact O-N 3.06Å; S4-L8 VanDerWaalsContact O-N 3.11Å; L8-Q10 VanDerWaalsContact C-N 3.29Å; L8-Q10 PolarHBondContact O-N 3.08Å; L8-W11 PolarHBondContact O-N 3.39Å; L8-L12 VanDerWaalsContact O-CB 3.22Å; L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 PolarHBondContact O-N 3.09Å; L8-I19 HydrophobicContact CD2-CD1 4.4Å |
| 9 | V | 60.7 | Low | 61.5 | Low | 32 Ų | 32 | 86.8 Ų | 86.8 | 19% | 0.194 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 173.7 | 160.9 | 0 | 0 | 0 | 0 | 111.6 | L5 R6 E7 G13 F14 I19 | L5-V9 VanDerWaalsContact O-CB 3.28Å; L5-V9 WeakPolarHBondContact O-CB 3.41Å; L5-V9 WeakPolarHBondContact O-CG2 3.49Å; L5-V9 PolarHBondContact O-N 3.3Å; R6-V9 PolarHBondContact O-N 3.08Å; E7-V9 PolarHBondContact O-N 3.21Å; V9-G13 CarbonylContact O-C 3.58Å; V9-G13 WeakPolarHBondContact O-CA 3.46Å; V9-G13 PolarHBondContact O-N 3.03Å; V9-F14 WeakPolarHBondContact CG1-O 3.42Å; V9-F14 WeakPolarHBondContact CG2-O 3.22Å; V9-I19 HydrophobicContact CG2-CD1 3.94Å |
| 10 | Q | 59.4 | Low | 62.6 | Low | 125 Ų | 125 | 88.7 Ų | 88.7 | 58% | 0.584 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -73 | -33 | 179.2 | -167.6 | 162.9 | -22.7 | 0 | 0 | 112.6 | R6 E7 L8 R131 | R6-Q10 VanDerWaalsContact O-CB 3.24Å; R6-Q10 WeakPolarHBondContact O-CB 3.39Å; R6-Q10 PolarHBondContact O-N 3.32Å; E7-Q10 PolarHBondContact O-N 3.47Å; E7-Q10 VanDerWaalsContact O-N 3.16Å; L8-Q10 VanDerWaalsContact C-N 3.29Å; L8-Q10 PolarHBondContact O-N 3.08Å; Q10-R131 PolarHBondContact O-NH2 3.25Å |
| 11 | W | 56.5 | Low | 63.7 | Low | 70 Ų | 70 | 85.3 Ų | 85.3 | 27% | 0.265 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -83.5 | -42.6 | -179.1 | -73.7 | 29.6 | 0 | 0 | 0 | 112.8 | F3 E7 L8 R131 A132 | F3-W11 HydrophobicContact CE1-CH2 4.09Å; F3-W11 HydrophobicContact CE1-CZ3 4.15Å; E7-W11 VanDerWaalsContact O-CB 3.3Å; E7-W11 WeakPolarHBondContact O-CB 3.45Å; E7-W11 PolarHBondContact O-N 3.17Å; L8-W11 PolarHBondContact O-N 3.39Å; W11-R131 WeakPolarHBondContact O-CD 3.4Å; W11-R131 PolarHBondContact O-NE 2.82Å; W11-R131 PolarHBondContact O-NH1 3.02Å; W11-A132 HydrophobicContact CD2-CB 4.32Å; W11-A132 HydrophobicContact CE3-CB 3.69Å; W11-A132 HydrophobicContact CH2-CB 3.35Å; W11-A132 HydrophobicContact CZ2-CB 4Å; W11-A132 HydrophobicContact CZ3-CB 3.17Å |
| 12 | L | 59.3 | Low | 65.9 | Low | 40 Ų | 40 | 75.4 Ų | 75.4 | 21% | 0.209 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -77.2 | -29.4 | 177 | -130 | 79.9 | 0 | 0 | 0 | 110.2 | L8 F14 L128 | L8-L12 VanDerWaalsContact O-CB 3.22Å; L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 PolarHBondContact O-N 3.09Å; L12-F14 HydrophobicContact CB-CB 4.29Å; L12-F14 HydrophobicContact CB-CD2 3.64Å; L12-F14 HydrophobicContact CB-CG 4.42Å; L12-F14 HydrophobicContact CD2-CB 4.25Å; L12-F14 HydrophobicContact CD2-CD2 3.3Å; L12-F14 HydrophobicContact CD2-CE2 3.77Å; L12-F14 HydrophobicContact CD2-CG 3.96Å; L12-F14 HydrophobicContact CG-CD2 3.44Å; L12-F14 VanDerWaalsContact CG-CD2 3.44Å; L12-F14 HydrophobicContact CG-CE2 3.9Å; L12-F14 HydrophobicContact CG-CG 4.43Å; L12-F14 WeakPolarHBondContact O-CD2 3.36Å; L12-F14 PolarHBondContact O-N 3Å; L12-L128 HydrophobicContact CD1-CD1 4.4Å; L12-L128 HydrophobicContact CD1-CD2 3.7Å |
| 13 | G | 60.2 | Low | 67.7 | Low | 5 Ų | 5 | 72.3 Ų | 72.3 | 5% | 0.052 | 35% | 0.353 | C | S | . | . | trans | 77.2 | -0.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V9 R83 | V9-G13 CarbonylContact O-C 3.58Å; V9-G13 WeakPolarHBondContact O-CA 3.46Å; V9-G13 PolarHBondContact O-N 3.03Å; G13-R83 PolarHBondContact O-NE 2.9Å; G13-R83 PolarHBondContact O-NH2 3.39Å | ||
| 14 | F | 63.3 | Low | 69.4 | Low | 8 Ų | 8 | 70.5 Ų | 70.5 | 4% | 0.035 | 35% | 0.349 | C | S | . | . | trans | -80.9 | 142.4 | -180 | -77.9 | -92.5 | 0 | 0 | 0 | 111.6 | V9 L12 E18 V87 V90 L91 | V9-F14 WeakPolarHBondContact CG1-O 3.42Å; V9-F14 WeakPolarHBondContact CG2-O 3.22Å; L12-F14 HydrophobicContact CB-CB 4.29Å; L12-F14 HydrophobicContact CB-CD2 3.64Å; L12-F14 HydrophobicContact CB-CG 4.42Å; L12-F14 HydrophobicContact CD2-CB 4.25Å; L12-F14 HydrophobicContact CD2-CD2 3.3Å; L12-F14 HydrophobicContact CD2-CE2 3.77Å; L12-F14 HydrophobicContact CD2-CG 3.96Å; L12-F14 HydrophobicContact CG-CD2 3.44Å; L12-F14 VanDerWaalsContact CG-CD2 3.44Å; L12-F14 HydrophobicContact CG-CE2 3.9Å; L12-F14 HydrophobicContact CG-CG 4.43Å; L12-F14 WeakPolarHBondContact O-CD2 3.36Å; L12-F14 PolarHBondContact O-N 3Å; F14-E18 WeakPolarHBondContact CA-OE2 3.05Å; F14-E18 HydrophobicContact CB-CB 4.35Å; F14-E18 WeakPolarHBondContact CB-OE2 3.46Å; F14-E18 HydrophobicContact CD1-CB 3.72Å; F14-E18 HydrophobicContact CD1-CG 4.21Å; F14-E18 WeakPolarHBondContact CD1-OE2 3.49Å; F14-V87 HydrophobicContact CE1-CG1 3.98Å; F14-V87 HydrophobicContact CE2-CG1 4.16Å; F14-V87 HydrophobicContact CZ-CG1 3.82Å; F14-V90 HydrophobicContact CE2-CG1 3.9Å; F14-V90 HydrophobicContact CZ-CG1 4.23Å; F14-L91 HydrophobicContact CE1-CD1 4.32Å; F14-L91 HydrophobicContact CE1-CD2 3.81Å; F14-L91 HydrophobicContact CE1-CG 4.12Å; F14-L91 HydrophobicContact CZ-CD1 4.39Å; F14-L91 HydrophobicContact CZ-CD2 3.71Å; F14-L91 HydrophobicContact CZ-CG 3.8Å | ||
| 15 | A | 70.6 | Confident | 70.5 | Confident | 26 Ų | 26 | 68 Ų | 68 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | trans | -71.1 | 153.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F17 E18 I19 F63 | A15-F17 PolarHBondContact O-N 3.22Å; A15-F17 VanDerWaalsContact O-N 3.1Å; A15-E18 HydrophobicContact CB-CG 4.42Å; A15-E18 PolarHBondContact N-OE2 2.97Å; A15-E18 PolarHBondContact O-N 3.31Å; A15-I19 PolarHBondContact O-N 3.43Å; A15-F63 HydrophobicContact CB-CD1 4.32Å; A15-F63 HydrophobicContact CB-CE1 3.57Å; A15-F63 HydrophobicContact CB-CZ 4.28Å | ||
| 16 | T | 74.1 | Confident | 72 | Confident | 92 Ų | 92 | 67.4 Ų | 67.4 | 56% | 0.564 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -53.9 | -32.3 | 174 | -47.5 | 0 | 0 | 0 | 0 | 112.1 | I19 F20 | T16-I19 PolarHBondContact O-N 2.98Å; T16-F20 PolarHBondContact O-N 3Å; T16-F20 VanDerWaalsContact O-N 3.08Å |
| 17 | F | 74.6 | Confident | 73.4 | Confident | 106 Ų | 106 | 62.4 Ų | 62.4 | 47% | 0.465 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 175 | -178.3 | -101.8 | 0 | 0 | 0 | 112.9 | A15 I19 F20 V21 L59 | A15-F17 PolarHBondContact O-N 3.22Å; A15-F17 VanDerWaalsContact O-N 3.1Å; F17-I19 VanDerWaalsContact C-N 3.31Å; F17-I19 PolarHBondContact O-N 3.09Å; F17-F20 WeakPolarHBondContact O-CB 3.39Å; F17-F20 PolarHBondContact O-N 3.15Å; F17-F20 VanDerWaalsContact O-N 3.14Å; F17-V21 HydrophobicContact CD1-CG2 4.01Å; F17-V21 HydrophobicContact CE1-CG2 3.55Å; F17-V21 HydrophobicContact CE2-CG2 4.21Å; F17-V21 HydrophobicContact CZ-CG2 3.67Å; F17-V21 WeakPolarHBondContact O-CG2 3.4Å; F17-V21 PolarHBondContact O-N 3.43Å; F17-L59 HydrophobicContact CE1-CD2 4.44Å |
| 18 | E | 78.3 | Confident | 74.9 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.019 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65 | -39.1 | 179.3 | -65.3 | 171 | 138.7 | 0 | 0 | 110.7 | F14 A15 F20 V21 H22 S60 F63 T64 | F14-E18 WeakPolarHBondContact CA-OE2 3.05Å; F14-E18 HydrophobicContact CB-CB 4.35Å; F14-E18 WeakPolarHBondContact CB-OE2 3.46Å; F14-E18 HydrophobicContact CD1-CB 3.72Å; F14-E18 HydrophobicContact CD1-CG 4.21Å; F14-E18 WeakPolarHBondContact CD1-OE2 3.49Å; A15-E18 HydrophobicContact CB-CG 4.42Å; A15-E18 PolarHBondContact N-OE2 2.97Å; A15-E18 PolarHBondContact O-N 3.31Å; E18-F20 VanDerWaalsContact C-N 3.32Å; E18-F20 PolarHBondContact O-N 3.42Å; E18-V21 PolarHBondContact O-N 3.38Å; E18-H22 PolarHBondContact O-CD2 2.74Å; E18-H22 PolarHBondContact O-N 2.97Å; E18-S60 VanDerWaalsContact OE1-O 3.07Å; E18-F63 HydrophobicContact CG-CD1 3.99Å; E18-T64 PolarHBondContact OE1-OG1 3.14Å |
| 19 | I | 80.5 | Confident | 76.3 | Confident | 48 Ų | 48 | 59.2 Ų | 59.2 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 173.1 | -60.8 | 173.7 | 0 | 0 | 0 | 110.6 | L8 V9 A15 T16 F17 H22 L23 | L8-I19 HydrophobicContact CD2-CD1 4.4Å; V9-I19 HydrophobicContact CG2-CD1 3.94Å; A15-I19 PolarHBondContact O-N 3.43Å; T16-I19 PolarHBondContact O-N 2.98Å; F17-I19 VanDerWaalsContact C-N 3.31Å; F17-I19 PolarHBondContact O-N 3.09Å; I19-H22 PolarHBondContact O-N 3.29Å; I19-L23 WeakPolarHBondContact O-CB 3.39Å; I19-L23 PolarHBondContact O-N 2.92Å |
| 20 | F | 83.8 | Confident | 77.5 | Confident | 124 Ų | 124 | 60.5 Ų | 60.5 | 54% | 0.544 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 177.6 | -178.2 | -100.7 | 0 | 0 | 0 | 112.3 | T16 F17 E18 L23 L24 | T16-F20 PolarHBondContact O-N 3Å; T16-F20 VanDerWaalsContact O-N 3.08Å; F17-F20 WeakPolarHBondContact O-CB 3.39Å; F17-F20 PolarHBondContact O-N 3.15Å; F17-F20 VanDerWaalsContact O-N 3.14Å; E18-F20 VanDerWaalsContact C-N 3.32Å; E18-F20 PolarHBondContact O-N 3.42Å; F20-L23 WeakPolarHBondContact O-CB 3.26Å; F20-L23 PolarHBondContact O-N 3.3Å; F20-L24 WeakPolarHBondContact O-CB 3.42Å; F20-L24 PolarHBondContact O-N 3Å |
| 21 | V | 85.6 | Confident | 78.9 | Confident | 18 Ų | 18 | 58.2 Ų | 58.2 | 11% | 0.109 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 175.7 | 170.5 | 0 | 0 | 0 | 0 | 111 | F17 E18 L24 A25 A56 L59 | F17-V21 HydrophobicContact CD1-CG2 4.01Å; F17-V21 HydrophobicContact CE1-CG2 3.55Å; F17-V21 HydrophobicContact CE2-CG2 4.21Å; F17-V21 HydrophobicContact CZ-CG2 3.67Å; F17-V21 WeakPolarHBondContact O-CG2 3.4Å; F17-V21 PolarHBondContact O-N 3.43Å; E18-V21 PolarHBondContact O-N 3.38Å; V21-L24 PolarHBondContact O-N 2.9Å; V21-A25 WeakPolarHBondContact O-CB 3.35Å; V21-A25 PolarHBondContact O-N 3.49Å; V21-A56 HydrophobicContact CG1-CB 3.79Å; V21-L59 HydrophobicContact CG1-CD2 4.01Å; V21-L59 HydrophobicContact CG2-CD2 4.03Å |
| 22 | H | 84.8 | Confident | 80.2 | Confident | 36 Ų | 36 | 56.7 Ų | 56.7 | 17% | 0.167 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.7 | -37.2 | 176.1 | -75.5 | -59.5 | 0 | 0 | 0 | 112.6 | E18 I19 A25 L26 S60 | E18-H22 PolarHBondContact O-CD2 2.74Å; E18-H22 PolarHBondContact O-N 2.97Å; I19-H22 PolarHBondContact O-N 3.29Å; H22-A25 PolarHBondContact O-N 3.38Å; H22-L26 WeakPolarHBondContact O-CB 3.47Å; H22-L26 PolarHBondContact O-N 3.19Å; H22-S60 PolarHBondContact NE2-OG 3.22Å |
| 23 | L | 85.8 | Confident | 81.3 | Confident | 113 Ų | 113 | 57.6 Ų | 57.6 | 59% | 0.592 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64 | -44.6 | 174.5 | -168.9 | 79 | 0 | 0 | 0 | 111.3 | I19 F20 A25 L26 L27 | I19-L23 WeakPolarHBondContact O-CB 3.39Å; I19-L23 PolarHBondContact O-N 2.92Å; F20-L23 WeakPolarHBondContact O-CB 3.26Å; F20-L23 PolarHBondContact O-N 3.3Å; L23-A25 VanDerWaalsContact C-N 3.35Å; L23-L26 PolarHBondContact O-N 2.79Å; L23-L27 PolarHBondContact O-N 2.88Å |
| 24 | L | 86.7 | Confident | 82.5 | Confident | 96 Ų | 96 | 59.6 Ų | 59.6 | 50% | 0.503 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 176.6 | -172.9 | 71.5 | 0 | 0 | 0 | 111 | F20 V21 L26 L27 V28 | F20-L24 WeakPolarHBondContact O-CB 3.42Å; F20-L24 PolarHBondContact O-N 3Å; V21-L24 PolarHBondContact O-N 2.9Å; L24-L26 VanDerWaalsContact C-N 3.31Å; L24-L26 PolarHBondContact O-N 3.38Å; L24-L27 PolarHBondContact O-N 3.14Å; L24-V28 WeakPolarHBondContact O-CG2 3.28Å; L24-V28 PolarHBondContact O-N 2.96Å |
| 25 | A | 87.8 | Confident | 83.4 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 6% | 0.058 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V21 H22 L23 V28 F29 P52 F53 A56 | V21-A25 WeakPolarHBondContact O-CB 3.35Å; V21-A25 PolarHBondContact O-N 3.49Å; H22-A25 PolarHBondContact O-N 3.38Å; L23-A25 VanDerWaalsContact C-N 3.35Å; A25-V28 PolarHBondContact O-N 2.76Å; A25-F29 VanDerWaalsContact O-CB 3.22Å; A25-F29 WeakPolarHBondContact O-CB 3.11Å; A25-F29 PolarHBondContact O-N 3.43Å; A25-P52 HydrophobicContact CB-CB 4.48Å; A25-P52 WeakPolarHBondContact CB-O 3.11Å; A25-F53 HydrophobicContact CB-CD1 4.26Å; A25-A56 HydrophobicContact CB-CB 3.57Å |
| 26 | L | 87.1 | Confident | 83.9 | Confident | 97 Ų | 97 | 64.8 Ų | 64.8 | 51% | 0.508 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 175.5 | -171.9 | 145.1 | 0 | 0 | 0 | 112.1 | H22 L23 L24 S30 F53 | H22-L26 WeakPolarHBondContact O-CB 3.47Å; H22-L26 PolarHBondContact O-N 3.19Å; L23-L26 PolarHBondContact O-N 2.79Å; L24-L26 VanDerWaalsContact C-N 3.31Å; L24-L26 PolarHBondContact O-N 3.38Å; L26-S30 WeakPolarHBondContact O-CB 3.15Å; L26-S30 PolarHBondContact O-N 2.95Å; L26-F53 HydrophobicContact CB-CE1 4.12Å; L26-F53 HydrophobicContact CB-CZ 4.26Å; L26-F53 HydrophobicContact CG-CZ 4.35Å |
| 27 | L | 87.6 | Confident | 84.2 | Confident | 102 Ų | 102 | 65.5 Ų | 65.5 | 53% | 0.534 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.1 | -46.7 | 174.8 | -165.5 | 163.3 | 0 | 0 | 0 | 110.9 | L23 L24 F29 S30 V31 | L23-L27 PolarHBondContact O-N 2.88Å; L24-L27 PolarHBondContact O-N 3.14Å; L27-F29 VanDerWaalsContact C-N 3.34Å; L27-F29 PolarHBondContact O-N 3.44Å; L27-S30 PolarHBondContact O-N 3.1Å; L27-S30 PolarHBondContact O-OG 3.5Å; L27-V31 HydrophobicContact CD2-CG2 4.29Å; L27-V31 WeakPolarHBondContact O-CG2 3.32Å; L27-V31 PolarHBondContact O-N 3.08Å |
| 28 | V | 88.5 | Confident | 84.5 | Confident | 63 Ų | 63 | 66 Ų | 66 | 38% | 0.382 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 177 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | L24 A25 S30 V31 L32 P52 | L24-V28 WeakPolarHBondContact O-CG2 3.28Å; L24-V28 PolarHBondContact O-N 2.96Å; A25-V28 PolarHBondContact O-N 2.76Å; V28-S30 PolarHBondContact O-N 3.27Å; V28-V31 PolarHBondContact O-N 3.36Å; V28-L32 HydrophobicContact CG1-CD1 3.6Å; V28-L32 WeakPolarHBondContact O-CD1 3.4Å; V28-L32 PolarHBondContact O-N 2.81Å; V28-P52 HydrophobicContact CB-CB 4.22Å; V28-P52 HydrophobicContact CB-CG 4.4Å; V28-P52 HydrophobicContact CG1-CB 3.91Å; V28-P52 HydrophobicContact CG1-CG 3.64Å |
| 29 | F | 87.2 | Confident | 84.3 | Confident | 32 Ų | 32 | 68 Ų | 68 | 14% | 0.14 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.6 | -44.3 | 175.2 | 173.9 | -94.4 | 0 | 0 | 0 | 112.7 | A25 L27 V31 L32 L33 V49 F50 F53 | A25-F29 VanDerWaalsContact O-CB 3.22Å; A25-F29 WeakPolarHBondContact O-CB 3.11Å; A25-F29 PolarHBondContact O-N 3.43Å; L27-F29 VanDerWaalsContact C-N 3.34Å; L27-F29 PolarHBondContact O-N 3.44Å; F29-V31 VanDerWaalsContact C-N 3.29Å; F29-V31 PolarHBondContact O-N 2.97Å; F29-L32 PolarHBondContact O-N 2.91Å; F29-L33 HydrophobicContact CE1-CB 4.37Å; F29-L33 HydrophobicContact CE1-CD2 3.98Å; F29-L33 HydrophobicContact CZ-CD1 4.4Å; F29-L33 HydrophobicContact CZ-CD2 4.41Å; F29-L33 VanDerWaalsContact O-CB 3.26Å; F29-L33 WeakPolarHBondContact O-CB 3.39Å; F29-L33 PolarHBondContact O-N 2.99Å; F29-V49 HydrophobicContact CD2-CG1 3.85Å; F29-V49 VanDerWaalsContact CD2-O 3.26Å; F29-V49 WeakPolarHBondContact CD2-O 3.41Å; F29-V49 HydrophobicContact CE2-CG1 3.61Å; F29-V49 HydrophobicContact CZ-CG1 4.36Å; F29-F50 AromaticContact CE2-CD1 3.86Å; F29-F50 HydrophobicContact CE2-CD1 3.86Å; F29-F50 HydrophobicContact CE2-CD2 4.35Å; F29-F50 AromaticContact CE2-CE1 3.79Å; F29-F50 HydrophobicContact CE2-CE1 3.79Å; F29-F50 HydrophobicContact CE2-CE2 4.3Å; F29-F50 HydrophobicContact CE2-CG 4.14Å; F29-F50 HydrophobicContact CE2-CZ 4.03Å; F29-F50 HydrophobicContact CZ-CE1 4.14Å; F29-F50 HydrophobicContact CZ-CZ 4.19Å; F29-F53 HydrophobicContact CB-CD2 4.05Å; F29-F53 HydrophobicContact CB-CE2 3.53Å; F29-F53 HydrophobicContact CB-CZ 3.85Å; 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 3.93Å; F29-F53 HydrophobicContact CD1-CZ 3.93Å; F29-F53 AromaticContact CD2-CD2 3.46Å; F29-F53 HydrophobicContact CD2-CD2 3.46Å; F29-F53 VanDerWaalsContact CD2-CD2 3.46Å; F29-F53 AromaticContact CD2-CE2 3.24Å; F29-F53 HydrophobicContact CD2-CE2 3.24Å; F29-F53 HydrophobicContact CD2-CZ 4.33Å; F29-F53 AromaticContact CE1-CE2 3.89Å; F29-F53 HydrophobicContact CE1-CE2 3.89Å; F29-F53 AromaticContact CE2-CD2 3.95Å; F29-F53 HydrophobicContact CE2-CD2 3.95Å; F29-F53 AromaticContact CE2-CE2 3.7Å; F29-F53 HydrophobicContact CE2-CE2 3.7Å; F29-F53 AromaticContact CG-CD2 3.76Å; F29-F53 HydrophobicContact CG-CD2 3.76Å; F29-F53 AromaticContact CG-CE2 3.1Å; F29-F53 HydrophobicContact CG-CE2 3.1Å; F29-F53 AromaticContact CG-CZ 3.8Å; F29-F53 HydrophobicContact CG-CZ 3.8Å; F29-F53 HydrophobicContact CZ-CE2 4.01Å |
| 30 | S | 86.5 | Confident | 83.8 | Confident | 59 Ų | 59 | 71.6 Ų | 71.6 | 41% | 0.413 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64 | -37.1 | -179.1 | 70 | 0 | 0 | 0 | 0 | 111.9 | L26 L27 V28 A34 | L26-S30 WeakPolarHBondContact O-CB 3.15Å; L26-S30 PolarHBondContact O-N 2.95Å; L27-S30 PolarHBondContact O-N 3.1Å; L27-S30 PolarHBondContact O-OG 3.5Å; V28-S30 PolarHBondContact O-N 3.27Å; S30-A34 WeakPolarHBondContact O-CB 3.2Å; S30-A34 PolarHBondContact O-N 2.91Å |
| 31 | V | 87.4 | Confident | 83.1 | Confident | 77 Ų | 77 | 68.5 Ų | 68.5 | 47% | 0.467 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.6 | -48.1 | 173.2 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | L27 V28 F29 L33 A34 L35 | L27-V31 HydrophobicContact CD2-CG2 4.29Å; L27-V31 WeakPolarHBondContact O-CG2 3.32Å; L27-V31 PolarHBondContact O-N 3.08Å; V28-V31 PolarHBondContact O-N 3.36Å; F29-V31 VanDerWaalsContact C-N 3.29Å; F29-V31 PolarHBondContact O-N 2.97Å; V31-L33 VanDerWaalsContact C-N 3.3Å; V31-L33 PolarHBondContact O-N 3.36Å; V31-A34 PolarHBondContact O-N 2.95Å; V31-L35 HydrophobicContact CG1-CD1 4.08Å; V31-L35 VanDerWaalsContact O-CG 3.3Å; V31-L35 WeakPolarHBondContact O-CG 3.46Å; V31-L35 PolarHBondContact O-N 3.08Å |
| 32 | L | 84.1 | Confident | 81.9 | Confident | 38 Ų | 38 | 73.5 Ų | 73.5 | 20% | 0.199 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.4 | -38.1 | 176.8 | -87.5 | 138.8 | 0 | 0 | 0 | 112.4 | V28 F29 R36 L44 V49 P52 | V28-L32 HydrophobicContact CG1-CD1 3.6Å; V28-L32 WeakPolarHBondContact O-CD1 3.4Å; V28-L32 PolarHBondContact O-N 2.81Å; F29-L32 PolarHBondContact O-N 2.91Å; L32-R36 WeakPolarHBondContact O-CB 3.41Å; L32-R36 PolarHBondContact O-N 2.91Å; L32-L44 HydrophobicContact CD2-CD2 4.17Å; L32-V49 HydrophobicContact CB-CG1 4.17Å; L32-P52 HydrophobicContact CD1-CG 3.61Å |
| 33 | L | 83.2 | Confident | 81.1 | Confident | 58 Ų | 58 | 75.2 Ų | 75.2 | 30% | 0.304 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.6 | -46.5 | 176.8 | -174.9 | 70.4 | 0 | 0 | 0 | 110.9 | F29 V31 L35 R36 V37 W46 V49 | F29-L33 HydrophobicContact CE1-CB 4.37Å; F29-L33 HydrophobicContact CE1-CD2 3.98Å; F29-L33 HydrophobicContact CZ-CD1 4.4Å; F29-L33 HydrophobicContact CZ-CD2 4.41Å; F29-L33 VanDerWaalsContact O-CB 3.26Å; F29-L33 WeakPolarHBondContact O-CB 3.39Å; F29-L33 PolarHBondContact O-N 2.99Å; V31-L33 VanDerWaalsContact C-N 3.3Å; V31-L33 PolarHBondContact O-N 3.36Å; L33-L35 PolarHBondContact O-N 2.77Å; L33-R36 WeakPolarHBondContact O-CB 3.49Å; L33-R36 PolarHBondContact O-N 3.38Å; L33-V37 VanDerWaalsContact O-CG2 3.32Å; L33-V37 WeakPolarHBondContact O-CG2 3.43Å; L33-V37 PolarHBondContact O-N 3.39Å; L33-W46 HydrophobicContact CD1-CZ3 4.07Å; L33-V49 HydrophobicContact CB-CG1 4.37Å; L33-V49 HydrophobicContact CD1-CG1 4.42Å |
| 34 | A | 84.6 | Confident | 80.4 | Confident | 48 Ų | 48 | 71.1 Ų | 71.1 | 40% | 0.397 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S30 V31 R36 V37 D38 | S30-A34 WeakPolarHBondContact O-CB 3.2Å; S30-A34 PolarHBondContact O-N 2.91Å; V31-A34 PolarHBondContact O-N 2.95Å; A34-R36 VanDerWaalsContact C-N 3.26Å; A34-R36 PolarHBondContact O-N 3.32Å; A34-V37 PolarHBondContact O-N 3.45Å; A34-V37 VanDerWaalsContact O-N 3.16Å; A34-D38 PolarHBondContact O-N 2.85Å |
| 35 | L | 82.9 | Confident | 80 | Confident | 65 Ų | 65 | 68.7 Ų | 68.7 | 34% | 0.34 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.6 | -35 | 176.3 | -70.3 | 171.5 | 0 | 0 | 0 | 113 | V31 L33 G39 L40 | V31-L35 HydrophobicContact CG1-CD1 4.08Å; V31-L35 VanDerWaalsContact O-CG 3.3Å; V31-L35 WeakPolarHBondContact O-CG 3.46Å; V31-L35 PolarHBondContact O-N 3.08Å; L33-L35 PolarHBondContact O-N 2.77Å; L35-G39 PolarHBondContact O-N 2.86Å; L35-L40 HydrophobicContact CD2-CD2 4.3Å; L35-L40 PolarHBondContact O-N 3.33Å |
| 36 | R | 80.1 | Confident | 79.5 | Confident | 78 Ų | 78 | 71.5 Ų | 71.5 | 29% | 0.294 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -70 | -42.4 | 176.5 | -178.6 | 66.3 | -171.8 | 109.1 | -8.8 | 112 | L32 L33 A34 G39 L44 W46 V49 | L32-R36 WeakPolarHBondContact O-CB 3.41Å; L32-R36 PolarHBondContact O-N 2.91Å; L33-R36 WeakPolarHBondContact O-CB 3.49Å; L33-R36 PolarHBondContact O-N 3.38Å; A34-R36 VanDerWaalsContact C-N 3.26Å; A34-R36 PolarHBondContact O-N 3.32Å; R36-G39 PolarHBondContact O-N 3.26Å; R36-L44 HydrophobicContact CB-CD2 4.06Å; R36-L44 VanDerWaalsContact CD-O 3.31Å; R36-L44 WeakPolarHBondContact CD-O 3.45Å; R36-L44 PolarHBondContact NE-O 2.96Å; R36-W46 HydrophobicContact CG-CH2 4.28Å; R36-W46 HydrophobicContact CG-CZ3 4.25Å; R36-V49 HydrophobicContact CB-CG2 4.21Å; R36-V49 HydrophobicContact CG-CG2 4.34Å |
| 37 | V | 80.1 | Confident | 79 | Confident | 106 Ų | 106 | 72.2 Ų | 72.2 | 64% | 0.642 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.3 | -41.2 | -179.3 | 171 | 0 | 0 | 0 | 0 | 111 | L33 A34 G39 | L33-V37 VanDerWaalsContact O-CG2 3.32Å; L33-V37 WeakPolarHBondContact O-CG2 3.43Å; L33-V37 PolarHBondContact O-N 3.39Å; A34-V37 PolarHBondContact O-N 3.45Å; A34-V37 VanDerWaalsContact O-N 3.16Å; V37-G39 PolarHBondContact O-N 2.98Å |
| 38 | D | 81.8 | Confident | 78.6 | Confident | 117 Ų | 117 | 71.3 Ų | 71.3 | 63% | 0.626 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -6.2 | 177.3 | -68.5 | -26.5 | 0 | 0 | 0 | 113 | A34 L40 | A34-D38 PolarHBondContact O-N 2.85Å; D38-L40 HydrophobicContact CB-CD1 3.94Å; D38-L40 PolarHBondContact O-N 3.29Å; D38-L40 VanDerWaalsContact O-N 3.17Å |
| 39 | G | 75.2 | Confident | 78.3 | Confident | 45 Ų | 45 | 68.3 Ų | 68.3 | 46% | 0.464 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 13.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L35 R36 V37 V41 | L35-G39 PolarHBondContact O-N 2.86Å; R36-G39 PolarHBondContact O-N 3.26Å; V37-G39 PolarHBondContact O-N 2.98Å; G39-V41 PolarHBondContact O-N 3.05Å |
| 40 | L | 68.5 | Low | 78.2 | Confident | 124 Ų | 124 | 67.3 Ų | 67.3 | 65% | 0.649 | 40% | 0.396 | S | S | * | . | trans | -63.1 | -26.4 | -175.6 | -112.9 | 81.3 | 0 | 0 | 0 | 113.3 | L35 D38 P42 | L35-L40 HydrophobicContact CD2-CD2 4.3Å; L35-L40 PolarHBondContact O-N 3.33Å; D38-L40 HydrophobicContact CB-CD1 3.94Å; D38-L40 PolarHBondContact O-N 3.29Å; D38-L40 VanDerWaalsContact O-N 3.17Å; L40-P42 WeakPolarHBondContact O-CD 3.24Å | ||
| 41 | V | 70.4 | Confident | 78.1 | Confident | 60 Ų | 60 | 68.2 Ų | 68.2 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -116.3 | 91.5 | -179 | -169.8 | 0 | 0 | 0 | 0 | 110 | G39 G43 L44 | G39-V41 PolarHBondContact O-N 3.05Å; V41-G43 PolarHBondContact O-N 3.39Å; V41-G43 VanDerWaalsContact O-N 3.14Å; V41-L44 HydrophobicContact CB-CB 4.2Å; V41-L44 HydrophobicContact CB-CD1 4.26Å; V41-L44 HydrophobicContact CG1-CB 4.18Å; V41-L44 HydrophobicContact CG1-CD1 3.89Å; V41-L44 PolarHBondContact O-N 2.86Å |
| 42 | P | 59.9 | Low | 78.1 | Confident | 122 Ų | 122 | 65.5 Ų | 65.5 | 79% | 0.792 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | 113.8 | 175.4 | 25.4 | -31.1 | 0 | 0 | 0 | 109.4 | L40 | L40-P42 WeakPolarHBondContact O-CD 3.24Š|
| 43 | G | 66.6 | Low | 78.1 | Confident | 73 Ų | 73 | 65 Ų | 65 | 75% | 0.753 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 112.8 | -0.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | V41 S45 | V41-G43 PolarHBondContact O-N 3.39Å; V41-G43 VanDerWaalsContact O-N 3.14Å; G43-S45 PolarHBondContact O-N 2.73Å |
| 44 | L | 71.7 | Confident | 78.2 | Confident | 26 Ų | 26 | 64.4 Ų | 64.4 | 14% | 0.136 | 38% | 0.375 | C | S | . | . | trans | -68.5 | 105.7 | 174.6 | -152.5 | 95.1 | 0 | 0 | 0 | 110 | L32 R36 V41 N48 V49 | L32-L44 HydrophobicContact CD2-CD2 4.17Å; R36-L44 HydrophobicContact CB-CD2 4.06Å; R36-L44 VanDerWaalsContact CD-O 3.31Å; R36-L44 WeakPolarHBondContact CD-O 3.45Å; R36-L44 PolarHBondContact NE-O 2.96Å; V41-L44 HydrophobicContact CB-CB 4.2Å; V41-L44 HydrophobicContact CB-CD1 4.26Å; V41-L44 HydrophobicContact CG1-CB 4.18Å; V41-L44 HydrophobicContact CG1-CD1 3.89Å; V41-L44 PolarHBondContact O-N 2.86Å; L44-N48 HydrophobicContact CG-CB 4.44Å; L44-V49 HydrophobicContact CD2-CG2 3.52Å; L44-V49 HydrophobicContact CG-CG2 4.48Å | ||
| 45 | S | 79.4 | Confident | 78.3 | Confident | 45 Ų | 45 | 65 Ų | 65 | 32% | 0.315 | 38% | 0.38 | S | S | . | . | trans | -69.1 | 150.5 | 175.8 | 66.9 | 0 | 0 | 0 | 0 | 110.3 | G43 W47 N48 V49 | G43-S45 PolarHBondContact O-N 2.73Å; S45-W47 PolarHBondContact O-N 3.38Å; S45-N48 WeakPolarHBondContact O-CB 3.43Å; S45-N48 PolarHBondContact O-N 3.35Å; S45-N48 PolarHBondContact OG-N 2.9Å; S45-N48 PolarHBondContact OG-ND2 3.45Å; S45-N48 PolarHBondContact OG-OD1 3.37Å; S45-V49 PolarHBondContact O-N 2.96Å | ||
| 46 | W | 75.9 | Confident | 78.5 | Confident | 67 Ų | 67 | 62.1 Ų | 62.1 | 25% | 0.254 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.7 | -35.3 | 173.3 | -69.8 | 105.4 | 0 | 0 | 0 | 111.3 | L33 R36 N48 V49 F50 L105 A106 | L33-W46 HydrophobicContact CD1-CZ3 4.07Å; R36-W46 HydrophobicContact CG-CH2 4.28Å; R36-W46 HydrophobicContact CG-CZ3 4.25Å; W46-N48 VanDerWaalsContact C-N 3.29Å; W46-N48 PolarHBondContact O-N 3.28Å; W46-V49 WeakPolarHBondContact O-CB 3.39Å; W46-V49 PolarHBondContact O-N 3.48Å; W46-V49 VanDerWaalsContact O-N 3.09Å; W46-F50 VanDerWaalsContact O-CD2 3.31Å; W46-F50 WeakPolarHBondContact O-CD2 3.45Å; W46-F50 PolarHBondContact O-N 2.96Å; W46-L105 VanDerWaalsContact CD1-O 3.31Å; W46-L105 HydrophobicContact CD2-CB 3.89Å; W46-L105 HydrophobicContact CD2-CD2 4.02Å; W46-L105 HydrophobicContact CE3-CB 4.11Å; W46-L105 HydrophobicContact CE3-CD2 3.43Å; W46-L105 VanDerWaalsContact CE3-CD2 3.43Å; W46-L105 HydrophobicContact CE3-CG 4.38Å; W46-L105 HydrophobicContact CG-CB 4.1Å; W46-L105 HydrophobicContact CH2-CD2 3.72Å; W46-L105 HydrophobicContact CZ2-CD2 4.25Å; W46-L105 HydrophobicContact CZ3-CD2 3.29Å; W46-L105 HydrophobicContact CZ3-CG 4.48Å; W46-L105 PolarHBondContact NE1-O 3.46Å; W46-L105 VanDerWaalsContact NE1-O 3.15Å; W46-A106 HydrophobicContact CB-CB 4.18Å |
| 47 | W | 77.5 | Confident | 78.7 | Confident | 112 Ų | 112 | 59 Ų | 59 | 42% | 0.424 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -53.1 | -42.9 | 172 | -68.8 | 102.3 | 0 | 0 | 0 | 113.3 | S45 V49 F50 V51 M99 C102 | S45-W47 PolarHBondContact O-N 3.38Å; W47-V49 VanDerWaalsContact C-N 3.33Å; W47-V49 PolarHBondContact O-N 3.44Å; W47-F50 PolarHBondContact O-N 3.11Å; W47-V51 WeakPolarHBondContact O-CG2 3.49Å; W47-V51 PolarHBondContact O-N 2.83Å; W47-M99 HydrophobicContact CH2-CE 3.83Å; W47-M99 HydrophobicContact CH2-SD 4.22Å; W47-M99 HydrophobicContact CZ3-CE 4.01Å; W47-M99 HydrophobicContact CZ3-SD 3.86Å; W47-C102 HydrophobicContact CE3-CB 4.48Å; W47-C102 HydrophobicContact CH2-CB 4.39Å; W47-C102 HydrophobicContact CZ3-CB 4.28Å |
| 48 | N | 79 | Confident | 79 | Confident | 83 Ų | 83 | 55.9 Ų | 55.9 | 44% | 0.444 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.4 | -31.5 | 179.1 | -70.3 | -7.8 | 0 | 0 | 0 | 113 | L44 S45 W46 F50 V51 | L44-N48 HydrophobicContact CG-CB 4.44Å; S45-N48 WeakPolarHBondContact O-CB 3.43Å; S45-N48 PolarHBondContact O-N 3.35Å; S45-N48 PolarHBondContact OG-N 2.9Å; S45-N48 PolarHBondContact OG-ND2 3.45Å; S45-N48 PolarHBondContact OG-OD1 3.37Å; W46-N48 VanDerWaalsContact C-N 3.29Å; W46-N48 PolarHBondContact O-N 3.28Å; N48-F50 VanDerWaalsContact C-N 3.28Å; N48-F50 PolarHBondContact O-N 2.92Å; N48-V51 PolarHBondContact O-N 3.29Å |
| 49 | V | 83.1 | Confident | 79.2 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.6 | -35.7 | 176.6 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | F29 L32 L33 R36 L44 S45 W46 W47 P52 | F29-V49 HydrophobicContact CD2-CG1 3.85Å; F29-V49 VanDerWaalsContact CD2-O 3.26Å; F29-V49 WeakPolarHBondContact CD2-O 3.41Å; F29-V49 HydrophobicContact CE2-CG1 3.61Å; F29-V49 HydrophobicContact CZ-CG1 4.36Å; L32-V49 HydrophobicContact CB-CG1 4.17Å; L33-V49 HydrophobicContact CB-CG1 4.37Å; L33-V49 HydrophobicContact CD1-CG1 4.42Å; R36-V49 HydrophobicContact CB-CG2 4.21Å; R36-V49 HydrophobicContact CG-CG2 4.34Å; L44-V49 HydrophobicContact CD2-CG2 3.52Å; L44-V49 HydrophobicContact CG-CG2 4.48Å; S45-V49 PolarHBondContact O-N 2.96Å; W46-V49 WeakPolarHBondContact O-CB 3.39Å; W46-V49 PolarHBondContact O-N 3.48Å; W46-V49 VanDerWaalsContact O-N 3.09Å; W47-V49 VanDerWaalsContact C-N 3.33Å; W47-V49 PolarHBondContact O-N 3.44Å; V49-P52 WeakPolarHBondContact O-CD 3.24Å |
| 50 | F | 83.7 | Confident | 79.7 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 4% | 0.044 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -87.8 | -8.8 | -178.3 | -76.3 | -89.1 | 0 | 0 | 0 | 114.9 | F29 W46 W47 N48 P52 F53 F54 L101 C102 | F29-F50 AromaticContact CE2-CD1 3.86Å; F29-F50 HydrophobicContact CE2-CD1 3.86Å; F29-F50 HydrophobicContact CE2-CD2 4.35Å; F29-F50 AromaticContact CE2-CE1 3.79Å; F29-F50 HydrophobicContact CE2-CE1 3.79Å; F29-F50 HydrophobicContact CE2-CE2 4.3Å; F29-F50 HydrophobicContact CE2-CG 4.14Å; F29-F50 HydrophobicContact CE2-CZ 4.03Å; F29-F50 HydrophobicContact CZ-CE1 4.14Å; F29-F50 HydrophobicContact CZ-CZ 4.19Å; W46-F50 VanDerWaalsContact O-CD2 3.31Å; W46-F50 WeakPolarHBondContact O-CD2 3.45Å; W46-F50 PolarHBondContact O-N 2.96Å; W47-F50 PolarHBondContact O-N 3.11Å; N48-F50 VanDerWaalsContact C-N 3.28Å; N48-F50 PolarHBondContact O-N 2.92Å; F50-P52 VanDerWaalsContact C-N 3.33Å; F50-F53 HydrophobicContact CD1-CD2 4.12Å; F50-F53 PolarHBondContact O-N 3.08Å; F50-F54 HydrophobicContact CB-CD2 4.21Å; F50-F54 HydrophobicContact CB-CE2 3.73Å; F50-F54 VanDerWaalsContact O-CD2 3.27Å; F50-F54 WeakPolarHBondContact O-CD2 3.47Å; F50-F54 PolarHBondContact O-N 2.94Å; F50-L101 HydrophobicContact CE1-CB 4.43Å; F50-L101 HydrophobicContact CZ-CB 4.26Å; F50-C102 WeakPolarHBondContact CB-SG 3.37Å; F50-C102 HydrophobicContact CD2-CB 4.44Å; F50-C102 WeakPolarHBondContact CD2-SG 3.44Å; F50-C102 WeakPolarHBondContact CG-SG 3.5Å |
| 51 | V | 85.9 | Confident | 80.5 | Confident | 78 Ų | 78 | 48.1 Ų | 48.1 | 47% | 0.473 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -48.4 | -44.3 | 175.5 | 169.2 | 0 | 0 | 0 | 0 | 113.9 | W47 N48 F53 F54 A55 | W47-V51 WeakPolarHBondContact O-CG2 3.49Å; W47-V51 PolarHBondContact O-N 2.83Å; N48-V51 PolarHBondContact O-N 3.29Å; V51-F53 VanDerWaalsContact C-N 3.27Å; V51-F53 PolarHBondContact O-N 2.89Å; V51-F54 PolarHBondContact O-N 2.91Å; V51-A55 WeakPolarHBondContact O-CB 3.41Å; V51-A55 PolarHBondContact O-N 2.8Å |
| 52 | P | 86.4 | Confident | 81.2 | Confident | 20 Ų | 20 | 52.7 Ų | 52.7 | 13% | 0.13 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.9 | -36 | 179.3 | -21.2 | 32.3 | 0 | 0 | 0 | 113.1 | A25 V28 L32 V49 F50 A56 | A25-P52 HydrophobicContact CB-CB 4.48Å; A25-P52 WeakPolarHBondContact CB-O 3.11Å; V28-P52 HydrophobicContact CB-CB 4.22Å; V28-P52 HydrophobicContact CB-CG 4.4Å; V28-P52 HydrophobicContact CG1-CB 3.91Å; V28-P52 HydrophobicContact CG1-CG 3.64Å; L32-P52 HydrophobicContact CD1-CG 3.61Å; V49-P52 WeakPolarHBondContact O-CD 3.24Å; F50-P52 VanDerWaalsContact C-N 3.33Å; P52-A56 WeakPolarHBondContact O-CB 3.45Å; P52-A56 PolarHBondContact O-N 3.43Å |
| 53 | F | 84 | Confident | 82.3 | Confident | 29 Ų | 29 | 50.1 Ų | 50.1 | 13% | 0.127 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.5 | -43.2 | 177.4 | -79.2 | -54.7 | 0 | 0 | 0 | 111.9 | A25 L26 F29 F50 V51 A55 A56 D57 | A25-F53 HydrophobicContact CB-CD1 4.26Å; L26-F53 HydrophobicContact CB-CE1 4.12Å; L26-F53 HydrophobicContact CB-CZ 4.26Å; L26-F53 HydrophobicContact CG-CZ 4.35Å; F29-F53 HydrophobicContact CB-CD2 4.05Å; F29-F53 HydrophobicContact CB-CE2 3.53Å; F29-F53 HydrophobicContact CB-CZ 3.85Å; 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 3.93Å; F29-F53 HydrophobicContact CD1-CZ 3.93Å; F29-F53 AromaticContact CD2-CD2 3.46Å; F29-F53 HydrophobicContact CD2-CD2 3.46Å; F29-F53 VanDerWaalsContact CD2-CD2 3.46Å; F29-F53 AromaticContact CD2-CE2 3.24Å; F29-F53 HydrophobicContact CD2-CE2 3.24Å; F29-F53 HydrophobicContact CD2-CZ 4.33Å; F29-F53 AromaticContact CE1-CE2 3.89Å; F29-F53 HydrophobicContact CE1-CE2 3.89Å; F29-F53 AromaticContact CE2-CD2 3.95Å; F29-F53 HydrophobicContact CE2-CD2 3.95Å; F29-F53 AromaticContact CE2-CE2 3.7Å; F29-F53 HydrophobicContact CE2-CE2 3.7Å; F29-F53 AromaticContact CG-CD2 3.76Å; F29-F53 HydrophobicContact CG-CD2 3.76Å; F29-F53 AromaticContact CG-CE2 3.1Å; F29-F53 HydrophobicContact CG-CE2 3.1Å; F29-F53 AromaticContact CG-CZ 3.8Å; F29-F53 HydrophobicContact CG-CZ 3.8Å; F29-F53 HydrophobicContact CZ-CE2 4.01Å; F50-F53 HydrophobicContact CD1-CD2 4.12Å; F50-F53 PolarHBondContact O-N 3.08Å; V51-F53 VanDerWaalsContact C-N 3.27Å; V51-F53 PolarHBondContact O-N 2.89Å; F53-A55 VanDerWaalsContact C-N 3.34Å; F53-A55 PolarHBondContact O-N 3.3Å; F53-A56 PolarHBondContact O-N 3.41Å; F53-D57 WeakPolarHBondContact O-CB 3.3Å; F53-D57 PolarHBondContact O-N 3.16Å |
| 54 | F | 84.5 | Confident | 82.9 | Confident | 45 Ų | 45 | 47.3 Ų | 47.3 | 20% | 0.197 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.6 | -40.5 | 174.7 | -66.5 | -55.5 | 0 | 0 | 0 | 112.4 | F50 V51 D57 G58 F95 E98 M99 | F50-F54 HydrophobicContact CB-CD2 4.21Å; F50-F54 HydrophobicContact CB-CE2 3.73Å; F50-F54 VanDerWaalsContact O-CD2 3.27Å; F50-F54 WeakPolarHBondContact O-CD2 3.47Å; F50-F54 PolarHBondContact O-N 2.94Å; V51-F54 PolarHBondContact O-N 2.91Å; F54-D57 PolarHBondContact O-N 2.89Å; F54-G58 PolarHBondContact O-N 3.04Å; F54-F95 AromaticContact CD1-CD2 3.69Å; F54-F95 HydrophobicContact CD1-CD2 3.69Å; F54-F95 AromaticContact CD1-CE2 3.37Å; F54-F95 HydrophobicContact CD1-CE2 3.37Å; F54-F95 HydrophobicContact CD1-CZ 4.46Å; F54-F95 AromaticContact CE1-CD2 3.74Å; F54-F95 HydrophobicContact CE1-CD2 3.74Å; F54-F95 AromaticContact CE1-CE2 3.4Å; F54-F95 HydrophobicContact CE1-CE2 3.4Å; F54-F95 HydrophobicContact CE1-CZ 4.19Å; F54-E98 HydrophobicContact CE1-CB 4.3Å; F54-M99 HydrophobicContact CE1-CG 3.96Å; F54-M99 HydrophobicContact CE1-SD 3.7Å; F54-M99 HydrophobicContact CZ-CG 4.15Å; F54-M99 HydrophobicContact CZ-SD 3.47Å; F54-M99 WeakPolarHBondContact CZ-SD 3.46Å |
| 55 | A | 87.7 | Confident | 83.5 | Confident | 61 Ų | 61 | 49.3 Ų | 49.3 | 50% | 0.504 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V51 F53 L59 | V51-A55 WeakPolarHBondContact O-CB 3.41Å; V51-A55 PolarHBondContact O-N 2.8Å; F53-A55 VanDerWaalsContact C-N 3.34Å; F53-A55 PolarHBondContact O-N 3.3Å; A55-L59 WeakPolarHBondContact O-CB 3.43Å; A55-L59 PolarHBondContact O-N 3.25Å |
| 56 | A | 87.1 | Confident | 83.7 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 3% | 0.033 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.6 | -42 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V21 A25 P52 F53 L59 S60 | V21-A56 HydrophobicContact CG1-CB 3.79Å; A25-A56 HydrophobicContact CB-CB 3.57Å; P52-A56 WeakPolarHBondContact O-CB 3.45Å; P52-A56 PolarHBondContact O-N 3.43Å; F53-A56 PolarHBondContact O-N 3.41Å; A56-L59 PolarHBondContact O-N 3.36Å; A56-S60 WeakPolarHBondContact O-CB 3.22Å; A56-S60 PolarHBondContact O-N 2.82Å; A56-S60 PolarHBondContact O-OG 3.05Å; A56-S60 VanDerWaalsContact O-OG 3.08Å |
| 57 | D | 85 | Confident | 83.7 | Confident | 12 Ų | 12 | 49.2 Ų | 49.2 | 6% | 0.064 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 177.5 | -153.8 | 79.5 | 0 | 0 | 0 | 112.2 | F53 F54 S60 T61 L91 K94 | F53-D57 WeakPolarHBondContact O-CB 3.3Å; F53-D57 PolarHBondContact O-N 3.16Å; F54-D57 PolarHBondContact O-N 2.89Å; D57-S60 PolarHBondContact O-N 2.91Å; D57-T61 WeakPolarHBondContact O-CB 3.47Å; D57-T61 PolarHBondContact O-N 2.94Å; D57-T61 PolarHBondContact O-OG1 3.47Å; D57-L91 WeakPolarHBondContact OD1-CD2 3.45Å; D57-K94 IonicContact OD1-NZ 2.68Å; D57-K94 PolarHBondContact OD1-NZ 3.31Å |
| 58 | G | 84.9 | Confident | 83.5 | Confident | 41 Ų | 41 | 44.7 Ų | 44.7 | 42% | 0.423 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F54 T61 Y62 | F54-G58 PolarHBondContact O-N 3.04Å; G58-T61 PolarHBondContact O-N 3.3Å; G58-Y62 WeakPolarHBondContact O-CB 3.34Å; G58-Y62 PolarHBondContact O-N 3.19Å |
| 59 | L | 87.3 | Confident | 83.6 | Confident | 81 Ų | 81 | 44.6 Ų | 44.6 | 42% | 0.424 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 178.1 | -170.5 | 63.1 | 0 | 0 | 0 | 111.9 | F17 V21 A55 A56 Y62 F63 | F17-L59 HydrophobicContact CE1-CD2 4.44Å; V21-L59 HydrophobicContact CG1-CD2 4.01Å; V21-L59 HydrophobicContact CG2-CD2 4.03Å; A55-L59 WeakPolarHBondContact O-CB 3.43Å; A55-L59 PolarHBondContact O-N 3.25Å; A56-L59 PolarHBondContact O-N 3.36Å; L59-Y62 PolarHBondContact O-N 2.87Å; L59-F63 PolarHBondContact O-N 3.44Å |
| 60 | S | 84.6 | Confident | 83.4 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 173.8 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | E18 H22 A56 D57 Y62 F63 T64 | E18-S60 VanDerWaalsContact OE1-O 3.07Å; H22-S60 PolarHBondContact NE2-OG 3.22Å; A56-S60 WeakPolarHBondContact O-CB 3.22Å; A56-S60 PolarHBondContact O-N 2.82Å; A56-S60 PolarHBondContact O-OG 3.05Å; A56-S60 VanDerWaalsContact O-OG 3.08Å; D57-S60 PolarHBondContact O-N 2.91Å; S60-Y62 VanDerWaalsContact C-N 3.34Å; S60-Y62 PolarHBondContact O-N 2.81Å; S60-F63 PolarHBondContact O-N 2.86Å; S60-T64 WeakPolarHBondContact O-CB 3.48Å; S60-T64 PolarHBondContact O-N 2.95Å; S60-T64 PolarHBondContact O-OG1 3.26Å |
| 61 | T | 85.4 | Confident | 82.9 | Confident | 41 Ų | 41 | 54.6 Ų | 54.6 | 25% | 0.252 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 176 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | D57 G58 T65 L88 | D57-T61 WeakPolarHBondContact O-CB 3.47Å; D57-T61 PolarHBondContact O-N 2.94Å; D57-T61 PolarHBondContact O-OG1 3.47Å; G58-T61 PolarHBondContact O-N 3.3Å; T61-T65 WeakPolarHBondContact O-CB 3.34Å; T61-T65 PolarHBondContact O-N 3.22Å; T61-T65 PolarHBondContact O-OG1 2.93Å; T61-L88 HydrophobicContact CG2-CD1 4.46Å |
| 62 | Y | 85.8 | Confident | 82.3 | Confident | 155 Ų | 155 | 55.8 Ų | 55.8 | 61% | 0.608 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.7 | -47.4 | 177 | 178.5 | -102.8 | 0 | 0 | 0 | 111.8 | G58 L59 S60 T65 I66 | G58-Y62 WeakPolarHBondContact O-CB 3.34Å; G58-Y62 PolarHBondContact O-N 3.19Å; L59-Y62 PolarHBondContact O-N 2.87Å; S60-Y62 VanDerWaalsContact C-N 3.34Å; S60-Y62 PolarHBondContact O-N 2.81Å; Y62-T65 PolarHBondContact O-N 3.2Å; Y62-I66 HydrophobicContact CD1-CD1 3.83Å; Y62-I66 HydrophobicContact CE1-CD1 3.28Å; Y62-I66 HydrophobicContact CE1-CG1 4.45Å; Y62-I66 HydrophobicContact CE2-CD1 4.19Å; Y62-I66 HydrophobicContact CG-CD1 4.48Å; Y62-I66 VanDerWaalsContact CZ-CD1 3.49Å; Y62-I66 PolarHBondContact O-N 2.87Å; Y62-I66 VanDerWaalsContact O-N 3.09Å |
| 63 | F | 83 | Confident | 81.9 | Confident | 69 Ų | 69 | 62 Ų | 62 | 30% | 0.303 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.6 | -48.2 | 179 | -172.9 | -95.1 | 0 | 0 | 0 | 111.9 | A15 E18 L59 S60 T65 I66 V67 | A15-F63 HydrophobicContact CB-CD1 4.32Å; A15-F63 HydrophobicContact CB-CE1 3.57Å; A15-F63 HydrophobicContact CB-CZ 4.28Å; E18-F63 HydrophobicContact CG-CD1 3.99Å; L59-F63 PolarHBondContact O-N 3.44Å; S60-F63 PolarHBondContact O-N 2.86Å; F63-T65 PolarHBondContact O-N 3.26Å; F63-I66 PolarHBondContact O-N 3.06Å; F63-I66 VanDerWaalsContact O-N 3.17Å; F63-V67 HydrophobicContact CD1-CG2 4.03Å; F63-V67 HydrophobicContact CE1-CG2 3.62Å; F63-V67 HydrophobicContact CZ-CG2 3.96Å; F63-V67 WeakPolarHBondContact O-CG2 3.3Å; F63-V67 PolarHBondContact O-N 3.23Å |
| 64 | T | 79.8 | Confident | 81.6 | Confident | 14 Ų | 14 | 66.7 Ų | 66.7 | 9% | 0.086 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59 | -37.2 | 177.1 | -74.6 | 0 | 0 | 0 | 0 | 112 | E18 S60 S68 L84 V87 | E18-T64 PolarHBondContact OE1-OG1 3.14Å; S60-T64 WeakPolarHBondContact O-CB 3.48Å; S60-T64 PolarHBondContact O-N 2.95Å; S60-T64 PolarHBondContact O-OG1 3.26Å; T64-S68 WeakPolarHBondContact O-CB 3.46Å; T64-S68 PolarHBondContact O-N 2.93Å; T64-S68 VanDerWaalsContact O-N 3.08Å; T64-S68 PolarHBondContact O-OG 3.48Å; T64-L84 HydrophobicContact CG2-CD1 4.27Å; T64-V87 HydrophobicContact CG2-CB 3.94Å; T64-V87 HydrophobicContact CG2-CG1 3.72Å; T64-V87 WeakPolarHBondContact OG1-CG1 3.43Å |
| 65 | T | 82.8 | Confident | 80.7 | Confident | 67 Ų | 67 | 67.2 Ų | 67.2 | 41% | 0.411 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 176.1 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | T61 Y62 F63 V67 S68 V69 | T61-T65 WeakPolarHBondContact O-CB 3.34Å; T61-T65 PolarHBondContact O-N 3.22Å; T61-T65 PolarHBondContact O-OG1 2.93Å; Y62-T65 PolarHBondContact O-N 3.2Å; F63-T65 PolarHBondContact O-N 3.26Å; T65-V67 PolarHBondContact O-N 3.41Å; T65-S68 PolarHBondContact O-N 3.19Å; T65-V69 WeakPolarHBondContact O-CG2 3.48Å; T65-V69 PolarHBondContact O-N 3.3Å |
| 66 | I | 83.6 | Confident | 79.7 | Confident | 58 Ų | 58 | 69.8 Ų | 69.8 | 30% | 0.297 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.8 | -47.8 | 177.6 | -69.6 | 169.2 | 0 | 0 | 0 | 111.6 | Y62 F63 S68 V69 R70 | Y62-I66 HydrophobicContact CD1-CD1 3.83Å; Y62-I66 HydrophobicContact CE1-CD1 3.28Å; Y62-I66 HydrophobicContact CE1-CG1 4.45Å; Y62-I66 HydrophobicContact CE2-CD1 4.19Å; Y62-I66 HydrophobicContact CG-CD1 4.48Å; Y62-I66 VanDerWaalsContact CZ-CD1 3.49Å; Y62-I66 PolarHBondContact O-N 2.87Å; Y62-I66 VanDerWaalsContact O-N 3.09Å; F63-I66 PolarHBondContact O-N 3.06Å; F63-I66 VanDerWaalsContact O-N 3.17Å; I66-S68 PolarHBondContact O-N 2.87Å; I66-V69 PolarHBondContact O-N 3.37Å; I66-R70 PolarHBondContact O-N 3.22Å; I66-R70 VanDerWaalsContact O-N 3.08Å |
| 67 | V | 77.4 | Confident | 78.8 | Confident | 52 Ų | 52 | 74.9 Ų | 74.9 | 32% | 0.315 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.5 | -38.3 | 179.9 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | F63 T65 R70 L71 | F63-V67 HydrophobicContact CD1-CG2 4.03Å; F63-V67 HydrophobicContact CE1-CG2 3.62Å; F63-V67 HydrophobicContact CZ-CG2 3.96Å; F63-V67 WeakPolarHBondContact O-CG2 3.3Å; F63-V67 PolarHBondContact O-N 3.23Å; T65-V67 PolarHBondContact O-N 3.41Å; V67-R70 PolarHBondContact O-N 3.01Å; V67-L71 WeakPolarHBondContact O-CB 3.37Å; V67-L71 PolarHBondContact O-N 3.46Å |
| 68 | S | 73.3 | Confident | 78.1 | Confident | 18 Ų | 18 | 84.8 Ų | 84.8 | 13% | 0.126 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -72.9 | -35.5 | -179.2 | -58.1 | 0 | 0 | 0 | 0 | 113.1 | T64 T65 I66 R70 L71 F72 L84 | T64-S68 WeakPolarHBondContact O-CB 3.46Å; T64-S68 PolarHBondContact O-N 2.93Å; T64-S68 VanDerWaalsContact O-N 3.08Å; T64-S68 PolarHBondContact O-OG 3.48Å; T65-S68 PolarHBondContact O-N 3.19Å; I66-S68 PolarHBondContact O-N 2.87Å; S68-R70 VanDerWaalsContact C-N 3.35Å; S68-L71 PolarHBondContact O-N 2.98Å; S68-F72 WeakPolarHBondContact O-CB 3.44Å; S68-F72 PolarHBondContact O-N 2.94Å; S68-L84 WeakPolarHBondContact OG-CB 3.22Å; S68-L84 WeakPolarHBondContact OG-CD1 3.1Å |
| 69 | V | 80.6 | Confident | 77.3 | Confident | 81 Ų | 81 | 88.2 Ų | 88.2 | 49% | 0.491 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 171.9 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | T65 I66 F72 Q73 | T65-V69 WeakPolarHBondContact O-CG2 3.48Å; T65-V69 PolarHBondContact O-N 3.3Å; I66-V69 PolarHBondContact O-N 3.37Å; V69-F72 WeakPolarHBondContact O-CB 3.4Å; V69-F72 PolarHBondContact O-N 3.47Å; V69-Q73 PolarHBondContact O-N 3.45Å |
| 70 | R | 79.3 | Confident | 76.4 | Confident | 172 Ų | 172 | 84.5 Ų | 84.5 | 65% | 0.649 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.6 | -47 | 176.1 | -70.4 | -174.5 | 179.1 | -179.3 | 0.2 | 111.8 | I66 V67 S68 F72 Q73 D74 | I66-R70 PolarHBondContact O-N 3.22Å; I66-R70 VanDerWaalsContact O-N 3.08Å; V67-R70 PolarHBondContact O-N 3.01Å; S68-R70 VanDerWaalsContact C-N 3.35Å; R70-F72 PolarHBondContact O-N 3.43Å; R70-Q73 WeakPolarHBondContact O-CB 3.44Å; R70-Q73 PolarHBondContact O-N 3.27Å; R70-D74 PolarHBondContact O-N 2.82Å |
| 71 | L | 72.2 | Confident | 75.9 | Confident | 47 Ų | 47 | 88.5 Ų | 88.5 | 25% | 0.246 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.8 | -26.5 | -179.9 | -153.3 | 70.4 | 0 | 0 | 0 | 112.6 | V67 S68 A80 | V67-L71 WeakPolarHBondContact O-CB 3.37Å; V67-L71 PolarHBondContact O-N 3.46Å; S68-L71 PolarHBondContact O-N 2.98Å; L71-A80 HydrophobicContact CB-CB 3.83Å; L71-A80 HydrophobicContact CD2-CB 3.5Å; L71-A80 VanDerWaalsContact CD2-CB 3.5Å; L71-A80 HydrophobicContact CG-CB 3.83Å |
| 72 | F | 74.4 | Confident | 75.3 | Confident | 103 Ų | 103 | 92.2 Ų | 92.2 | 45% | 0.452 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.3 | -32.8 | 172.4 | -167.3 | -94.6 | 0 | 0 | 0 | 112.8 | S68 V69 R70 K77 | S68-F72 WeakPolarHBondContact O-CB 3.44Å; S68-F72 PolarHBondContact O-N 2.94Å; V69-F72 WeakPolarHBondContact O-CB 3.4Å; V69-F72 PolarHBondContact O-N 3.47Å; R70-F72 PolarHBondContact O-N 3.43Å; F72-K77 HydrophobicContact CD2-CB 4.03Å; F72-K77 HydrophobicContact CD2-CD 4.16Å; F72-K77 HydrophobicContact CD2-CG 3.7Å; F72-K77 HydrophobicContact CE1-CD 4.34Å; F72-K77 HydrophobicContact CE2-CB 3.95Å; F72-K77 HydrophobicContact CE2-CD 3.59Å; F72-K77 HydrophobicContact CE2-CG 3.63Å; F72-K77 HydrophobicContact CG-CG 4.3Å; F72-K77 HydrophobicContact CZ-CD 3.71Å; F72-K77 HydrophobicContact CZ-CG 4.18Å |
| 73 | Q | 77.4 | Confident | 74.7 | Confident | 152 Ų | 152 | 89.6 Ų | 89.6 | 71% | 0.71 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -72.1 | -31.9 | 176 | -67.3 | 176.7 | -4.1 | 0 | 0 | 111.9 | V69 R70 G75 | V69-Q73 PolarHBondContact O-N 3.45Å; R70-Q73 WeakPolarHBondContact O-CB 3.44Å; R70-Q73 PolarHBondContact O-N 3.27Å; Q73-G75 PolarHBondContact O-N 3.41Å |
| 74 | D | 76.5 | Confident | 74.3 | Confident | 127 Ų | 127 | 88.8 Ų | 88.8 | 68% | 0.679 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -1.2 | 179.9 | -66.3 | -28.9 | 0 | 0 | 0 | 114.4 | R70 | R70-D74 PolarHBondContact O-N 2.82Š|
| 75 | G | 66.6 | Low | 74.2 | Confident | 55 Ų | 55 | 94.6 Ų | 94.6 | 57% | 0.567 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.7 | -10.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q73 K77 | Q73-G75 PolarHBondContact O-N 3.41Å; G75-K77 VanDerWaalsContact C-N 3.26Å; G75-K77 PolarHBondContact O-N 3.09Å |
| 76 | E | 66.6 | Low | 74 | Confident | 116 Ų | 116 | 93.8 Ų | 93.8 | 54% | 0.542 | 46% | 0.456 | S | S | . | . | trans | -85.5 | 49.3 | 179.7 | -75.4 | -97 | 132.1 | 0 | 0 | 112.8 | R78 L79 A80 | E76-R78 PolarHBondContact O-N 3.03Å; E76-L79 PolarHBondContact O-N 3.45Å; E76-A80 WeakPolarHBondContact O-CB 3.42Å; E76-A80 PolarHBondContact O-N 3.48Å; E76-A80 VanDerWaalsContact O-N 3.15Å | ||
| 77 | K | 68.9 | Low | 73.7 | Confident | 111 Ų | 111 | 91.1 Ų | 91.1 | 48% | 0.483 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.2 | -40.1 | -167.3 | -61.3 | -179 | 177 | 174.8 | 0 | 114.4 | F72 G75 V81 | F72-K77 HydrophobicContact CD2-CB 4.03Å; F72-K77 HydrophobicContact CD2-CD 4.16Å; F72-K77 HydrophobicContact CD2-CG 3.7Å; F72-K77 HydrophobicContact CE1-CD 4.34Å; F72-K77 HydrophobicContact CE2-CB 3.95Å; F72-K77 HydrophobicContact CE2-CD 3.59Å; F72-K77 HydrophobicContact CE2-CG 3.63Å; F72-K77 HydrophobicContact CG-CG 4.3Å; F72-K77 HydrophobicContact CZ-CD 3.71Å; F72-K77 HydrophobicContact CZ-CG 4.18Å; G75-K77 VanDerWaalsContact C-N 3.26Å; G75-K77 PolarHBondContact O-N 3.09Å; K77-V81 WeakPolarHBondContact O-CB 3.3Å; K77-V81 WeakPolarHBondContact O-CG2 3.4Å; K77-V81 PolarHBondContact O-N 3.47Å; K77-V81 VanDerWaalsContact O-N 3.09Å |
| 78 | R | 70.5 | Confident | 73.9 | Confident | 219 Ų | 219 | 92.6 Ų | 92.6 | 83% | 0.826 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -72.6 | -41.7 | -173.3 | -164.2 | 177.4 | -177.7 | -175.4 | 0.9 | 112.1 | E76 L82 | E76-R78 PolarHBondContact O-N 3.03Å; R78-L82 WeakPolarHBondContact O-CB 3.46Å; R78-L82 PolarHBondContact O-N 2.9Å |
| 79 | L | 68.4 | Low | 74.2 | Confident | 113 Ų | 113 | 93.6 Ų | 93.6 | 59% | 0.592 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -68.3 | -41.9 | 177.5 | -165.6 | 82.8 | 0 | 0 | 0 | 110.7 | E76 L82 R83 | E76-L79 PolarHBondContact O-N 3.45Å; L79-L82 PolarHBondContact O-N 3.32Å; L79-R83 WeakPolarHBondContact O-CB 3.43Å; L79-R83 PolarHBondContact O-N 3.26Å |
| 80 | A | 68 | Low | 74.2 | Confident | 3 Ų | 3 | 90.3 Ų | 90.3 | 3% | 0.025 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.3 | -49.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L71 E76 L82 R83 L84 | L71-A80 HydrophobicContact CB-CB 3.83Å; L71-A80 HydrophobicContact CD2-CB 3.5Å; L71-A80 VanDerWaalsContact CD2-CB 3.5Å; L71-A80 HydrophobicContact CG-CB 3.83Å; E76-A80 WeakPolarHBondContact O-CB 3.42Å; E76-A80 PolarHBondContact O-N 3.48Å; E76-A80 VanDerWaalsContact O-N 3.15Å; A80-L82 PolarHBondContact O-N 3.32Å; A80-R83 PolarHBondContact O-N 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.27Å; A80-L84 PolarHBondContact O-N 2.68Å |
| 81 | V | 73.4 | Confident | 74.2 | Confident | 86 Ų | 86 | 82.2 Ų | 82.2 | 52% | 0.521 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 179.7 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | K77 R83 L84 F85 | K77-V81 WeakPolarHBondContact O-CB 3.3Å; K77-V81 WeakPolarHBondContact O-CG2 3.4Å; K77-V81 PolarHBondContact O-N 3.47Å; K77-V81 VanDerWaalsContact O-N 3.09Å; V81-R83 VanDerWaalsContact C-N 3.35Å; V81-L84 PolarHBondContact O-N 3.03Å; V81-F85 VanDerWaalsContact O-CB 3.26Å; V81-F85 WeakPolarHBondContact O-CB 3.22Å; V81-F85 PolarHBondContact O-N 3.32Å |
| 82 | L | 73.6 | Confident | 74.6 | Confident | 118 Ų | 118 | 82.5 Ų | 82.5 | 62% | 0.618 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67.8 | -37.6 | -179.3 | -145.8 | 149.8 | 0 | 0 | 0 | 111.3 | R78 L79 A80 W86 | R78-L82 WeakPolarHBondContact O-CB 3.46Å; R78-L82 PolarHBondContact O-N 2.9Å; L79-L82 PolarHBondContact O-N 3.32Å; A80-L82 PolarHBondContact O-N 3.32Å; L82-W86 WeakPolarHBondContact O-CB 3.41Å; L82-W86 PolarHBondContact O-N 3.36Å |
| 83 | R | 72.1 | Confident | 74.9 | Confident | 101 Ų | 101 | 79.3 Ų | 79.3 | 38% | 0.381 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.2 | -47 | 172.8 | -174.4 | -178.6 | -176.4 | 175.4 | 3.2 | 112.1 | G13 L79 A80 V81 W86 V87 | G13-R83 PolarHBondContact O-NE 2.9Å; G13-R83 PolarHBondContact O-NH2 3.39Å; L79-R83 WeakPolarHBondContact O-CB 3.43Å; L79-R83 PolarHBondContact O-N 3.26Å; A80-R83 PolarHBondContact O-N 3.28Å; V81-R83 VanDerWaalsContact C-N 3.35Å; R83-W86 WeakPolarHBondContact O-CB 3.49Å; R83-W86 PolarHBondContact O-N 3.33Å; R83-V87 WeakPolarHBondContact O-CG2 3.37Å; R83-V87 PolarHBondContact O-N 3.3Å |
| 84 | L | 74.4 | Confident | 75.2 | Confident | 52 Ų | 52 | 74.2 Ų | 74.2 | 27% | 0.272 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 178.1 | 180 | 123.2 | 0 | 0 | 0 | 110.8 | T64 S68 A80 V81 W86 V87 L88 | T64-L84 HydrophobicContact CG2-CD1 4.27Å; S68-L84 WeakPolarHBondContact OG-CB 3.22Å; S68-L84 WeakPolarHBondContact OG-CD1 3.1Å; A80-L84 WeakPolarHBondContact O-CB 3.27Å; A80-L84 PolarHBondContact O-N 2.68Å; V81-L84 PolarHBondContact O-N 3.03Å; L84-W86 VanDerWaalsContact C-N 3.26Å; L84-W86 PolarHBondContact O-N 3.36Å; L84-V87 PolarHBondContact O-N 2.88Å; L84-L88 VanDerWaalsContact O-CB 3.24Å; L84-L88 WeakPolarHBondContact O-CB 3.39Å; L84-L88 PolarHBondContact O-N 3.42Å |
| 85 | F | 78.6 | Confident | 75.4 | Confident | 136 Ų | 136 | 72.1 Ų | 72.1 | 60% | 0.596 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58.3 | -40.7 | 177.4 | -176.2 | -98 | 0 | 0 | 0 | 111.7 | V81 T89 | V81-F85 VanDerWaalsContact O-CB 3.26Å; V81-F85 WeakPolarHBondContact O-CB 3.22Å; V81-F85 PolarHBondContact O-N 3.32Å; F85-T89 WeakPolarHBondContact O-CB 3.34Å; F85-T89 PolarHBondContact O-N 3.33Å; F85-T89 PolarHBondContact O-OG1 3.19Å |
| 86 | W | 78.8 | Confident | 76.2 | Confident | 50 Ų | 50 | 72.8 Ų | 72.8 | 19% | 0.189 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.8 | -53.9 | 174.6 | -178.2 | -87.3 | 0 | 0 | 0 | 112.6 | L82 R83 L84 L88 T89 V90 L127 R131 | L82-W86 WeakPolarHBondContact O-CB 3.41Å; L82-W86 PolarHBondContact O-N 3.36Å; R83-W86 WeakPolarHBondContact O-CB 3.49Å; R83-W86 PolarHBondContact O-N 3.33Å; L84-W86 VanDerWaalsContact C-N 3.26Å; L84-W86 PolarHBondContact O-N 3.36Å; W86-L88 VanDerWaalsContact C-N 3.29Å; W86-L88 PolarHBondContact O-N 3.37Å; W86-T89 PolarHBondContact O-N 3.24Å; W86-T89 VanDerWaalsContact O-N 3.14Å; W86-V90 WeakPolarHBondContact O-CG2 3.44Å; W86-V90 PolarHBondContact O-N 3.48Å; W86-L127 HydrophobicContact CH2-CB 3.68Å; W86-L127 HydrophobicContact CH2-CD2 4.08Å; W86-L127 HydrophobicContact CH2-CG 4.4Å; W86-L127 WeakPolarHBondContact CH2-O 3.2Å; W86-L127 HydrophobicContact CZ2-CB 4.18Å; W86-L127 HydrophobicContact CZ3-CB 4.5Å; W86-L127 HydrophobicContact CZ3-CD2 4.12Å; W86-R131 HydrophobicContact CH2-CB 4.14Å; W86-R131 HydrophobicContact CZ2-CB 4.08Å; W86-R131 HydrophobicContact CZ2-CG 4.5Å |
| 87 | V | 76.8 | Confident | 76.8 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.6 | -39.7 | -177.4 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | F14 T64 R83 L84 T89 V90 L91 | F14-V87 HydrophobicContact CE1-CG1 3.98Å; F14-V87 HydrophobicContact CE2-CG1 4.16Å; F14-V87 HydrophobicContact CZ-CG1 3.82Å; T64-V87 HydrophobicContact CG2-CB 3.94Å; T64-V87 HydrophobicContact CG2-CG1 3.72Å; T64-V87 WeakPolarHBondContact OG1-CG1 3.43Å; R83-V87 WeakPolarHBondContact O-CG2 3.37Å; R83-V87 PolarHBondContact O-N 3.3Å; L84-V87 PolarHBondContact O-N 2.88Å; V87-T89 PolarHBondContact O-N 3.26Å; V87-V90 PolarHBondContact O-N 2.93Å; V87-L91 HydrophobicContact CG1-CD1 3.82Å; V87-L91 HydrophobicContact CG1-CG 4.29Å; V87-L91 WeakPolarHBondContact O-CB 3.32Å; V87-L91 WeakPolarHBondContact O-CG 3.34Å; V87-L91 PolarHBondContact O-N 3.05Å |
| 88 | L | 81.1 | Confident | 77.4 | Confident | 84 Ų | 84 | 65 Ų | 65 | 44% | 0.44 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 175.1 | -170.2 | 71 | 0 | 0 | 0 | 112.3 | T61 L84 W86 S92 | T61-L88 HydrophobicContact CG2-CD1 4.46Å; L84-L88 VanDerWaalsContact O-CB 3.24Å; L84-L88 WeakPolarHBondContact O-CB 3.39Å; L84-L88 PolarHBondContact O-N 3.42Å; W86-L88 VanDerWaalsContact C-N 3.29Å; W86-L88 PolarHBondContact O-N 3.37Å; L88-S92 VanDerWaalsContact O-CB 3.3Å; L88-S92 WeakPolarHBondContact O-CB 3.37Å; L88-S92 PolarHBondContact O-N 3.02Å; L88-S92 PolarHBondContact O-OG 3.46Å |
| 89 | T | 80.3 | Confident | 77.7 | Confident | 39 Ų | 39 | 57 Ų | 57 | 24% | 0.239 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 175.4 | -56.3 | 0 | 0 | 0 | 0 | 111 | F85 W86 V87 S92 L93 | F85-T89 WeakPolarHBondContact O-CB 3.34Å; F85-T89 PolarHBondContact O-N 3.33Å; F85-T89 PolarHBondContact O-OG1 3.19Å; W86-T89 PolarHBondContact O-N 3.24Å; W86-T89 VanDerWaalsContact O-N 3.14Å; V87-T89 PolarHBondContact O-N 3.26Å; T89-S92 WeakPolarHBondContact CA-OG 3.26Å; T89-S92 PolarHBondContact O-OG 2.98Å; T89-L93 HydrophobicContact CG2-CD1 4.29Å; T89-L93 WeakPolarHBondContact O-CD1 3.47Å; T89-L93 PolarHBondContact O-N 3.23Å |
| 90 | V | 79.5 | Confident | 78.1 | Confident | 11 Ų | 11 | 53.2 Ų | 53.2 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.9 | -47.7 | 176.7 | 168.1 | 0 | 0 | 0 | 0 | 111.6 | F14 W86 V87 L93 K94 L124 | F14-V90 HydrophobicContact CE2-CG1 3.9Å; F14-V90 HydrophobicContact CZ-CG1 4.23Å; W86-V90 WeakPolarHBondContact O-CG2 3.44Å; W86-V90 PolarHBondContact O-N 3.48Å; V87-V90 PolarHBondContact O-N 2.93Å; V90-L93 PolarHBondContact O-N 3.05Å; V90-K94 PolarHBondContact O-N 2.99Å; V90-L124 HydrophobicContact CB-CD1 3.98Å; V90-L124 HydrophobicContact CG1-CD1 3.65Å; V90-L124 HydrophobicContact CG2-CD1 3.7Å |
| 91 | L | 80.8 | Confident | 78.5 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62 | -45.4 | 178.1 | -74.5 | 170.2 | 0 | 0 | 0 | 111.3 | F14 D57 V87 L93 K94 F95 | F14-L91 HydrophobicContact CE1-CD1 4.32Å; F14-L91 HydrophobicContact CE1-CD2 3.81Å; F14-L91 HydrophobicContact CE1-CG 4.12Å; F14-L91 HydrophobicContact CZ-CD1 4.39Å; F14-L91 HydrophobicContact CZ-CD2 3.71Å; F14-L91 HydrophobicContact CZ-CG 3.8Å; D57-L91 WeakPolarHBondContact OD1-CD2 3.45Å; V87-L91 HydrophobicContact CG1-CD1 3.82Å; V87-L91 HydrophobicContact CG1-CG 4.29Å; V87-L91 WeakPolarHBondContact O-CB 3.32Å; V87-L91 WeakPolarHBondContact O-CG 3.34Å; V87-L91 PolarHBondContact O-N 3.05Å; L91-L93 PolarHBondContact O-N 3.48Å; L91-K94 WeakPolarHBondContact O-CB 3.42Å; L91-K94 PolarHBondContact O-N 3.41Å; L91-F95 WeakPolarHBondContact O-CB 3.38Å; L91-F95 PolarHBondContact O-N 3.37Å |
| 92 | S | 80.3 | Confident | 78.6 | Confident | 53 Ų | 53 | 50.9 Ų | 50.9 | 37% | 0.371 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 178 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | L88 T89 F95 V96 | L88-S92 VanDerWaalsContact O-CB 3.3Å; L88-S92 WeakPolarHBondContact O-CB 3.37Å; L88-S92 PolarHBondContact O-N 3.02Å; L88-S92 PolarHBondContact O-OG 3.46Å; T89-S92 WeakPolarHBondContact CA-OG 3.26Å; T89-S92 PolarHBondContact O-OG 2.98Å; S92-F95 PolarHBondContact O-N 2.98Å; S92-V96 WeakPolarHBondContact O-CB 3.47Å; S92-V96 VanDerWaalsContact O-CG2 3.26Å; S92-V96 WeakPolarHBondContact O-CG2 3.42Å; S92-V96 PolarHBondContact O-N 2.98Å |
| 93 | L | 80.6 | Confident | 78.6 | Confident | 37 Ų | 37 | 49 Ų | 49 | 19% | 0.194 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 174.1 | -102.2 | 67.6 | 0 | 0 | 0 | 112.1 | T89 V90 L91 V96 F97 P120 I123 L124 L127 | T89-L93 HydrophobicContact CG2-CD1 4.29Å; T89-L93 WeakPolarHBondContact O-CD1 3.47Å; T89-L93 PolarHBondContact O-N 3.23Å; V90-L93 PolarHBondContact O-N 3.05Å; L91-L93 PolarHBondContact O-N 3.48Å; L93-V96 PolarHBondContact O-N 3.09Å; L93-F97 PolarHBondContact O-N 2.91Å; L93-P120 HydrophobicContact CG-CB 4.39Å; L93-I123 HydrophobicContact CD2-CB 4.01Å; L93-I123 HydrophobicContact CD2-CG2 3.72Å; L93-L124 HydrophobicContact CD2-CB 4.32Å; L93-L127 HydrophobicContact CD2-CD1 4.46Å |
| 94 | K | 82.7 | Confident | 78.7 | Confident | 45 Ų | 45 | 46.7 Ų | 46.7 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -45.3 | 175.2 | 176.8 | -177.7 | 160.8 | -68.3 | 0 | 111.4 | D57 V90 L91 V96 F97 E98 | D57-K94 IonicContact OD1-NZ 2.68Å; D57-K94 PolarHBondContact OD1-NZ 3.31Å; V90-K94 PolarHBondContact O-N 2.99Å; L91-K94 WeakPolarHBondContact O-CB 3.42Å; L91-K94 PolarHBondContact O-N 3.41Å; K94-V96 PolarHBondContact O-N 3.32Å; K94-F97 WeakPolarHBondContact O-CB 3.49Å; K94-F97 PolarHBondContact O-N 3.41Å; K94-E98 WeakPolarHBondContact CE-OE1 3.45Å; K94-E98 IonicContact NZ-OE1 3.6Å; K94-E98 PolarHBondContact NZ-OE1 3.03Å; K94-E98 IonicContact NZ-OE2 2.9Å; K94-E98 WeakPolarHBondContact O-CG 3.31Å; K94-E98 PolarHBondContact O-N 3.4Å |
| 95 | F | 81.7 | Confident | 78.5 | Confident | 82 Ų | 82 | 47.1 Ų | 47.1 | 36% | 0.36 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 176.7 | 178 | -95.9 | 0 | 0 | 0 | 112 | F54 L91 S92 F97 E98 M99 | F54-F95 AromaticContact CD1-CD2 3.69Å; F54-F95 HydrophobicContact CD1-CD2 3.69Å; F54-F95 AromaticContact CD1-CE2 3.37Å; F54-F95 HydrophobicContact CD1-CE2 3.37Å; F54-F95 HydrophobicContact CD1-CZ 4.46Å; F54-F95 AromaticContact CE1-CD2 3.74Å; F54-F95 HydrophobicContact CE1-CD2 3.74Å; F54-F95 AromaticContact CE1-CE2 3.4Å; F54-F95 HydrophobicContact CE1-CE2 3.4Å; F54-F95 HydrophobicContact CE1-CZ 4.19Å; L91-F95 WeakPolarHBondContact O-CB 3.38Å; L91-F95 PolarHBondContact O-N 3.37Å; S92-F95 PolarHBondContact O-N 2.98Å; F95-F97 VanDerWaalsContact C-N 3.31Å; F95-F97 PolarHBondContact O-N 2.92Å; F95-E98 PolarHBondContact O-N 3.22Å; F95-M99 HydrophobicContact CD1-CG 4.05Å; F95-M99 HydrophobicContact CE1-CG 3.61Å; F95-M99 HydrophobicContact CE1-SD 4.42Å; F95-M99 HydrophobicContact CE2-CG 4.16Å; F95-M99 HydrophobicContact CE2-SD 4.45Å; F95-M99 HydrophobicContact CZ-CG 3.66Å; F95-M99 HydrophobicContact CZ-SD 3.96Å; F95-M99 WeakPolarHBondContact O-CB 3.3Å; F95-M99 WeakPolarHBondContact O-CG 3.45Å; F95-M99 PolarHBondContact O-N 2.79Å |
| 96 | V | 82.9 | Confident | 78.1 | Confident | 69 Ų | 69 | 42.6 Ų | 42.6 | 42% | 0.418 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61 | -41.6 | 176.1 | 169.2 | 0 | 0 | 0 | 0 | 111 | S92 L93 K94 M99 L100 P120 | S92-V96 WeakPolarHBondContact O-CB 3.47Å; S92-V96 VanDerWaalsContact O-CG2 3.26Å; S92-V96 WeakPolarHBondContact O-CG2 3.42Å; S92-V96 PolarHBondContact O-N 2.98Å; L93-V96 PolarHBondContact O-N 3.09Å; K94-V96 PolarHBondContact O-N 3.32Å; V96-M99 PolarHBondContact O-N 3.14Å; V96-L100 HydrophobicContact CG1-CD1 3.74Å; V96-L100 HydrophobicContact CG1-CG 4.39Å; V96-L100 WeakPolarHBondContact O-CB 3.22Å; V96-L100 WeakPolarHBondContact O-CD1 3.38Å; V96-L100 VanDerWaalsContact O-CG 3.25Å; V96-L100 WeakPolarHBondContact O-CG 3.31Å; V96-L100 PolarHBondContact O-N 2.95Å; V96-P120 HydrophobicContact CG1-CG 4.29Å |
| 97 | F | 80.6 | Confident | 77.4 | Confident | 53 Ų | 53 | 47 Ų | 47 | 23% | 0.232 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -47.9 | 174.2 | 172.7 | -107.9 | 0 | 0 | 0 | 112.5 | L93 K94 F95 M99 L100 L101 I117 P120 V121 | L93-F97 PolarHBondContact O-N 2.91Å; K94-F97 WeakPolarHBondContact O-CB 3.49Å; K94-F97 PolarHBondContact O-N 3.41Å; F95-F97 VanDerWaalsContact C-N 3.31Å; F95-F97 PolarHBondContact O-N 2.92Å; F97-M99 VanDerWaalsContact C-N 3.34Å; F97-M99 PolarHBondContact O-N 3.3Å; F97-L100 PolarHBondContact O-N 3.25Å; F97-L101 HydrophobicContact CD1-CD1 3.91Å; F97-L101 HydrophobicContact CD2-CD1 4.41Å; F97-L101 HydrophobicContact CD2-CG 4.46Å; F97-L101 HydrophobicContact CE1-CD1 3.31Å; F97-L101 HydrophobicContact CE1-CG 4.31Å; F97-L101 HydrophobicContact CE2-CD1 3.89Å; F97-L101 HydrophobicContact CE2-CG 4.08Å; F97-L101 HydrophobicContact CG-CD1 4.44Å; F97-L101 HydrophobicContact CZ-CD1 3.32Å; F97-L101 HydrophobicContact CZ-CG 4.02Å; F97-L101 WeakPolarHBondContact O-CB 3.15Å; F97-L101 WeakPolarHBondContact O-CG 3.26Å; F97-L101 PolarHBondContact O-N 3.27Å; F97-I117 HydrophobicContact CD2-CG2 4.23Å; F97-I117 WeakPolarHBondContact CD2-O 3.26Å; F97-I117 HydrophobicContact CE2-CG2 4.03Å; F97-P120 HydrophobicContact CB-CB 4.32Å; F97-V121 HydrophobicContact CD1-CG2 4.16Å; F97-V121 HydrophobicContact CD2-CG2 3.53Å; F97-V121 HydrophobicContact CE1-CG2 4.18Å; F97-V121 HydrophobicContact CE2-CG2 3.57Å; F97-V121 HydrophobicContact CG-CG2 3.81Å; F97-V121 HydrophobicContact CZ-CG2 3.88Å |
| 98 | E | 79.5 | Confident | 76.5 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 6% | 0.056 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 177.9 | -73.3 | 171.6 | -173.8 | 0 | 0 | 111.9 | F54 K94 F95 L101 C102 | F54-E98 HydrophobicContact CE1-CB 4.3Å; K94-E98 WeakPolarHBondContact CE-OE1 3.45Å; K94-E98 IonicContact NZ-OE1 3.6Å; K94-E98 PolarHBondContact NZ-OE1 3.03Å; K94-E98 IonicContact NZ-OE2 2.9Å; K94-E98 WeakPolarHBondContact O-CG 3.31Å; K94-E98 PolarHBondContact O-N 3.4Å; F95-E98 PolarHBondContact O-N 3.22Å; E98-L101 PolarHBondContact O-N 3.03Å; E98-C102 PolarHBondContact O-N 3.4Å; E98-C102 PolarHBondContact O-SG 3.48Å |
| 99 | M | 78.3 | Confident | 75.2 | Confident | 50 Ų | 50 | 53.1 Ų | 53.1 | 25% | 0.246 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65 | -44.9 | 175.4 | -75.7 | -66.9 | -68.6 | 0 | 0 | 112.5 | W47 F54 F95 V96 F97 L101 C102 Q103 | W47-M99 HydrophobicContact CH2-CE 3.83Å; W47-M99 HydrophobicContact CH2-SD 4.22Å; W47-M99 HydrophobicContact CZ3-CE 4.01Å; W47-M99 HydrophobicContact CZ3-SD 3.86Å; F54-M99 HydrophobicContact CE1-CG 3.96Å; F54-M99 HydrophobicContact CE1-SD 3.7Å; F54-M99 HydrophobicContact CZ-CG 4.15Å; F54-M99 HydrophobicContact CZ-SD 3.47Å; F54-M99 WeakPolarHBondContact CZ-SD 3.46Å; F95-M99 HydrophobicContact CD1-CG 4.05Å; F95-M99 HydrophobicContact CE1-CG 3.61Å; F95-M99 HydrophobicContact CE1-SD 4.42Å; F95-M99 HydrophobicContact CE2-CG 4.16Å; F95-M99 HydrophobicContact CE2-SD 4.45Å; F95-M99 HydrophobicContact CZ-CG 3.66Å; F95-M99 HydrophobicContact CZ-SD 3.96Å; F95-M99 WeakPolarHBondContact O-CB 3.3Å; F95-M99 WeakPolarHBondContact O-CG 3.45Å; F95-M99 PolarHBondContact O-N 2.79Å; V96-M99 PolarHBondContact O-N 3.14Å; F97-M99 VanDerWaalsContact C-N 3.34Å; F97-M99 PolarHBondContact O-N 3.3Å; M99-L101 VanDerWaalsContact C-N 3.31Å; M99-L101 PolarHBondContact O-N 3Å; M99-C102 WeakPolarHBondContact O-CB 3.47Å; M99-C102 PolarHBondContact O-N 3.37Å; M99-Q103 WeakPolarHBondContact O-CG 3.16Å; M99-Q103 PolarHBondContact O-N 2.83Å |
| 100 | L | 76.4 | Confident | 73.8 | Confident | 33 Ų | 33 | 62.6 Ų | 62.6 | 17% | 0.173 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 176.6 | -75.8 | 164.6 | 0 | 0 | 0 | 111.6 | V96 F97 K104 L112 I117 P120 | V96-L100 HydrophobicContact CG1-CD1 3.74Å; V96-L100 HydrophobicContact CG1-CG 4.39Å; V96-L100 WeakPolarHBondContact O-CB 3.22Å; V96-L100 WeakPolarHBondContact O-CD1 3.38Å; V96-L100 VanDerWaalsContact O-CG 3.25Å; V96-L100 WeakPolarHBondContact O-CG 3.31Å; V96-L100 PolarHBondContact O-N 2.95Å; F97-L100 PolarHBondContact O-N 3.25Å; L100-K104 WeakPolarHBondContact O-CB 3.43Å; L100-K104 PolarHBondContact O-N 3.27Å; L100-L112 HydrophobicContact CD2-CD2 4.03Å; L100-I117 HydrophobicContact CB-CG2 4.4Å; L100-P120 HydrophobicContact CD1-CG 4.32Å |
| 101 | L | 76 | Confident | 72.6 | Confident | 41 Ų | 41 | 69.7 Ų | 69.7 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.3 | -45.7 | 173.1 | -80.7 | 176.7 | 0 | 0 | 0 | 112 | F50 F97 E98 M99 Q103 K104 L105 I117 | F50-L101 HydrophobicContact CE1-CB 4.43Å; F50-L101 HydrophobicContact CZ-CB 4.26Å; F97-L101 HydrophobicContact CD1-CD1 3.91Å; F97-L101 HydrophobicContact CD2-CD1 4.41Å; F97-L101 HydrophobicContact CD2-CG 4.46Å; F97-L101 HydrophobicContact CE1-CD1 3.31Å; F97-L101 HydrophobicContact CE1-CG 4.31Å; F97-L101 HydrophobicContact CE2-CD1 3.89Å; F97-L101 HydrophobicContact CE2-CG 4.08Å; F97-L101 HydrophobicContact CG-CD1 4.44Å; F97-L101 HydrophobicContact CZ-CD1 3.32Å; F97-L101 HydrophobicContact CZ-CG 4.02Å; F97-L101 WeakPolarHBondContact O-CB 3.15Å; F97-L101 WeakPolarHBondContact O-CG 3.26Å; F97-L101 PolarHBondContact O-N 3.27Å; E98-L101 PolarHBondContact O-N 3.03Å; M99-L101 VanDerWaalsContact C-N 3.31Å; M99-L101 PolarHBondContact O-N 3Å; L101-Q103 VanDerWaalsContact C-N 3.33Å; L101-Q103 PolarHBondContact O-N 3.21Å; L101-K104 PolarHBondContact O-N 3.47Å; L101-L105 WeakPolarHBondContact O-CD1 3.48Å; L101-L105 PolarHBondContact O-N 3.42Å; L101-I117 HydrophobicContact CD2-CG2 3.81Å; L101-I117 HydrophobicContact CG-CG2 4.03Å |
| 102 | C | 75.9 | Confident | 71.5 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -55.1 | -49.3 | 175.5 | -75.6 | 0 | 0 | 0 | 0 | 111.3 | W47 F50 E98 M99 K104 L105 A106 | W47-C102 HydrophobicContact CE3-CB 4.48Å; W47-C102 HydrophobicContact CH2-CB 4.39Å; W47-C102 HydrophobicContact CZ3-CB 4.28Å; F50-C102 WeakPolarHBondContact CB-SG 3.37Å; F50-C102 HydrophobicContact CD2-CB 4.44Å; F50-C102 WeakPolarHBondContact CD2-SG 3.44Å; F50-C102 WeakPolarHBondContact CG-SG 3.5Å; E98-C102 PolarHBondContact O-N 3.4Å; E98-C102 PolarHBondContact O-SG 3.48Å; M99-C102 WeakPolarHBondContact O-CB 3.47Å; M99-C102 PolarHBondContact O-N 3.37Å; C102-K104 PolarHBondContact O-N 3.42Å; C102-L105 PolarHBondContact O-N 3.23Å; C102-A106 WeakPolarHBondContact O-CB 3.48Å; C102-A106 PolarHBondContact O-N 3.32Å |
| 103 | Q | 73.8 | Confident | 70.8 | Confident | 77 Ų | 77 | 79 Ų | 79 | 36% | 0.36 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 179.5 | -74.1 | 178.5 | -14.2 | 0 | 0 | 111.4 | M99 L101 L105 A106 E107 | M99-Q103 WeakPolarHBondContact O-CG 3.16Å; M99-Q103 PolarHBondContact O-N 2.83Å; L101-Q103 VanDerWaalsContact C-N 3.33Å; L101-Q103 PolarHBondContact O-N 3.21Å; Q103-L105 VanDerWaalsContact C-N 3.35Å; Q103-L105 PolarHBondContact O-N 2.93Å; Q103-A106 PolarHBondContact O-N 3.45Å; Q103-E107 PolarHBondContact O-N 3.45Å |
| 104 | K | 74.6 | Confident | 70.1 | Confident | 53 Ų | 53 | 84.5 Ų | 84.5 | 23% | 0.23 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 178.2 | -173.5 | 68 | 177.7 | -169.7 | 0 | 112.5 | L100 L101 C102 Q108 T109 L112 I117 | L100-K104 WeakPolarHBondContact O-CB 3.43Å; L100-K104 PolarHBondContact O-N 3.27Å; L101-K104 PolarHBondContact O-N 3.47Å; C102-K104 PolarHBondContact O-N 3.42Å; K104-Q108 PolarHBondContact O-N 2.89Å; K104-T109 WeakPolarHBondContact CE-O 3.21Å; K104-T109 PolarHBondContact NZ-O 3.34Å; K104-L112 HydrophobicContact CD-CB 3.93Å; K104-L112 PolarHBondContact NZ-O 2.94Å; K104-I117 HydrophobicContact CB-CD1 3.84Å; K104-I117 HydrophobicContact CD-CD1 3.97Å; K104-I117 HydrophobicContact CG-CD1 3.75Å |
| 105 | L | 70.3 | Confident | 69.4 | Low | 61 Ų | 61 | 84.8 Ų | 84.8 | 32% | 0.319 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -76.5 | -34.9 | 179.4 | -87.6 | 83.9 | 0 | 0 | 0 | 112.9 | W46 L101 C102 Q103 | W46-L105 VanDerWaalsContact CD1-O 3.31Å; W46-L105 HydrophobicContact CD2-CB 3.89Å; W46-L105 HydrophobicContact CD2-CD2 4.02Å; W46-L105 HydrophobicContact CE3-CB 4.11Å; W46-L105 HydrophobicContact CE3-CD2 3.43Å; W46-L105 VanDerWaalsContact CE3-CD2 3.43Å; W46-L105 HydrophobicContact CE3-CG 4.38Å; W46-L105 HydrophobicContact CG-CB 4.1Å; W46-L105 HydrophobicContact CH2-CD2 3.72Å; W46-L105 HydrophobicContact CZ2-CD2 4.25Å; W46-L105 HydrophobicContact CZ3-CD2 3.29Å; W46-L105 HydrophobicContact CZ3-CG 4.48Å; W46-L105 PolarHBondContact NE1-O 3.46Å; W46-L105 VanDerWaalsContact NE1-O 3.15Å; L101-L105 WeakPolarHBondContact O-CD1 3.48Å; L101-L105 PolarHBondContact O-N 3.42Å; C102-L105 PolarHBondContact O-N 3.23Å; Q103-L105 VanDerWaalsContact C-N 3.35Å; Q103-L105 PolarHBondContact O-N 2.93Å |
| 106 | A | 70 | Confident | 68.9 | Low | 41 Ų | 41 | 86.1 Ų | 86.1 | 34% | 0.339 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -76.3 | -44.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | W46 C102 Q103 | W46-A106 HydrophobicContact CB-CB 4.18Å; C102-A106 WeakPolarHBondContact O-CB 3.48Å; C102-A106 PolarHBondContact O-N 3.32Å; Q103-A106 PolarHBondContact O-N 3.45Å |
| 107 | E | 62.9 | Low | 68.4 | Low | 144 Ų | 144 | 83 Ų | 83 | 67% | 0.673 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -97.5 | -4.6 | -174.3 | -77.2 | 177 | 164 | 0 | 0 | 113.2 | Q103 T109 | Q103-E107 PolarHBondContact O-N 3.45Å; E107-T109 WeakPolarHBondContact CB-OG1 3.47Å; E107-T109 PolarHBondContact O-N 3.32Å |
| 108 | Q | 59.1 | Low | 68.1 | Low | 170 Ų | 170 | 82.1 Ų | 82.1 | 79% | 0.794 | 40% | 0.396 | S | S | * | . | trans | 47.8 | 35.3 | -174.2 | -163.4 | 153.8 | -51.2 | 0 | 0 | 111.2 | K104 R110 | K104-Q108 PolarHBondContact O-N 2.89Å; Q108-R110 PolarHBondContact O-N 2.91Å | ||
| 109 | T | 53 | Low | 68.1 | Low | 42 Ų | 42 | 83.8 Ų | 83.8 | 26% | 0.258 | 41% | 0.409 | S | S | . | . | trans | -66.7 | 97.8 | -172.1 | -32 | 0 | 0 | 0 | 0 | 108.1 | K104 E107 E111 L112 | K104-T109 WeakPolarHBondContact CE-O 3.21Å; K104-T109 PolarHBondContact NZ-O 3.34Å; E107-T109 WeakPolarHBondContact CB-OG1 3.47Å; E107-T109 PolarHBondContact O-N 3.32Å; T109-E111 PolarHBondContact O-N 3.04Å; T109-L112 HydrophobicContact CG2-CD1 4.18Å; T109-L112 PolarHBondContact O-N 3.25Å | ||
| 110 | R | 52.1 | Low | 68.2 | Low | 239 Ų | 239 | 82.1 Ų | 82.1 | 90% | 0.902 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.7 | -171.7 | -156.9 | 171.9 | -178.2 | 170.1 | -0.9 | 112.9 | Q108 | Q108-R110 PolarHBondContact O-N 2.91Š|
| 111 | E | 53.6 | Low | 68.3 | Low | 159 Ų | 159 | 83.5 Ų | 83.5 | 74% | 0.743 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -13.9 | -172.7 | -65.5 | -78.4 | 139.2 | 0 | 0 | 115.4 | T109 W113 | T109-E111 PolarHBondContact O-N 3.04Å; E111-W113 PolarHBondContact O-N 3Å; E111-W113 VanDerWaalsContact O-N 3.08Å |
| 112 | L | 56.5 | Low | 68.5 | Low | 41 Ų | 41 | 87.4 Ų | 87.4 | 22% | 0.215 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -73.9 | 107.4 | 175.4 | -100.6 | 98.7 | 0 | 0 | 0 | 110.1 | L100 K104 T109 F114 I117 | L100-L112 HydrophobicContact CD2-CD2 4.03Å; K104-L112 HydrophobicContact CD-CB 3.93Å; K104-L112 PolarHBondContact NZ-O 2.94Å; T109-L112 HydrophobicContact CG2-CD1 4.18Å; T109-L112 PolarHBondContact O-N 3.25Å; L112-F114 PolarHBondContact O-N 3.33Å; L112-I117 HydrophobicContact CB-CD1 4.36Å; L112-I117 HydrophobicContact CD2-CD1 4.33Å; L112-I117 HydrophobicContact CD2-CG1 4.06Å |
| 113 | W | 65.6 | Low | 68.7 | Low | 211 Ų | 211 | 91.1 Ų | 91.1 | 80% | 0.799 | 45% | 0.446 | S | S | * | . | trans | -59.7 | 130.5 | 174.7 | -74.3 | 84.8 | 0 | 0 | 0 | 110.7 | E111 G115 L116 I117 | E111-W113 PolarHBondContact O-N 3Å; E111-W113 VanDerWaalsContact O-N 3.08Å; W113-G115 PolarHBondContact O-N 3.44Å; W113-G115 VanDerWaalsContact O-N 3.08Å; W113-L116 WeakPolarHBondContact O-CB 3.5Å; W113-L116 PolarHBondContact O-N 3.28Å; W113-I117 PolarHBondContact O-N 2.95Å | ||
| 114 | F | 66.3 | Low | 69 | Low | 152 Ų | 152 | 89.1 Ų | 89.1 | 67% | 0.667 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -54.2 | -33 | 179.6 | -151 | -94 | 0 | 0 | 0 | 111.9 | L112 L116 I117 T118 | L112-F114 PolarHBondContact O-N 3.33Å; F114-L116 VanDerWaalsContact C-N 3.35Å; F114-L116 PolarHBondContact O-N 3.38Å; F114-I117 PolarHBondContact O-N 2.97Å; F114-T118 HydrophobicContact CD1-CG2 3.87Å; F114-T118 HydrophobicContact CE1-CG2 3.87Å; F114-T118 PolarHBondContact O-N 2.93Å; F114-T118 PolarHBondContact O-OG1 3.16Å |
| 115 | G | 67.9 | Low | 69.2 | Low | 51 Ų | 51 | 92.1 Ų | 92.1 | 53% | 0.526 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.1 | -38.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | W113 T118 S119 | W113-G115 PolarHBondContact O-N 3.44Å; W113-G115 VanDerWaalsContact O-N 3.08Å; G115-T118 WeakPolarHBondContact CA-OG1 3.41Å; G115-T118 PolarHBondContact O-N 3.5Å; G115-T118 PolarHBondContact O-OG1 3.27Å; G115-T118 VanDerWaalsContact O-OG1 3.1Å; G115-S119 PolarHBondContact O-N 2.96Å |
| 116 | L | 71 | Confident | 69.7 | Low | 109 Ų | 109 | 95.1 Ų | 95.1 | 57% | 0.571 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -70.7 | -38.1 | 178.8 | -171 | 65.5 | 0 | 0 | 0 | 111.3 | W113 F114 S119 | W113-L116 WeakPolarHBondContact O-CB 3.5Å; W113-L116 PolarHBondContact O-N 3.28Å; F114-L116 VanDerWaalsContact C-N 3.35Å; F114-L116 PolarHBondContact O-N 3.38Å; L116-S119 WeakPolarHBondContact O-CB 3.29Å; L116-S119 PolarHBondContact O-N 3.49Å |
| 117 | I | 73.8 | Confident | 70.1 | Confident | 3 Ų | 3 | 95.4 Ų | 95.4 | 2% | 0.015 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -67 | -40.7 | 176.1 | -58.9 | 173.4 | 0 | 0 | 0 | 110.3 | F97 L100 L101 K104 L112 W113 F114 S119 P120 | F97-I117 HydrophobicContact CD2-CG2 4.23Å; F97-I117 WeakPolarHBondContact CD2-O 3.26Å; F97-I117 HydrophobicContact CE2-CG2 4.03Å; L100-I117 HydrophobicContact CB-CG2 4.4Å; L101-I117 HydrophobicContact CD2-CG2 3.81Å; L101-I117 HydrophobicContact CG-CG2 4.03Å; K104-I117 HydrophobicContact CB-CD1 3.84Å; K104-I117 HydrophobicContact CD-CD1 3.97Å; K104-I117 HydrophobicContact CG-CD1 3.75Å; L112-I117 HydrophobicContact CB-CD1 4.36Å; L112-I117 HydrophobicContact CD2-CD1 4.33Å; L112-I117 HydrophobicContact CD2-CG1 4.06Å; W113-I117 PolarHBondContact O-N 2.95Å; F114-I117 PolarHBondContact O-N 2.97Å; I117-S119 VanDerWaalsContact C-N 3.32Å; I117-S119 PolarHBondContact O-N 2.98Å; I117-P120 VanDerWaalsContact O-CD 3.27Å; I117-P120 WeakPolarHBondContact O-CD 3.4Å |
| 118 | T | 73.4 | Confident | 70.7 | Confident | 35 Ų | 35 | 90.5 Ų | 90.5 | 22% | 0.215 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -77.5 | -15.5 | 179.3 | 50.5 | 0 | 0 | 0 | 0 | 114.1 | F114 G115 V121 F122 | F114-T118 HydrophobicContact CD1-CG2 3.87Å; F114-T118 HydrophobicContact CE1-CG2 3.87Å; F114-T118 PolarHBondContact O-N 2.93Å; F114-T118 PolarHBondContact O-OG1 3.16Å; G115-T118 WeakPolarHBondContact CA-OG1 3.41Å; G115-T118 PolarHBondContact O-N 3.5Å; G115-T118 PolarHBondContact O-OG1 3.27Å; G115-T118 VanDerWaalsContact O-OG1 3.1Å; T118-V121 WeakPolarHBondContact O-CB 3.43Å; T118-V121 PolarHBondContact O-N 3.4Å; T118-F122 VanDerWaalsContact O-CD2 3.31Å; T118-F122 WeakPolarHBondContact O-CD2 3.39Å; T118-F122 PolarHBondContact O-N 2.97Å; T118-F122 VanDerWaalsContact O-N 3.09Å |
| 119 | S | 80.4 | Confident | 71.6 | Confident | 48 Ų | 48 | 88.5 Ų | 88.5 | 34% | 0.336 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -54.5 | -46.7 | -175.6 | -177.6 | 0 | 0 | 0 | 0 | 113.9 | G115 L116 I117 V121 F122 I123 | G115-S119 PolarHBondContact O-N 2.96Å; L116-S119 WeakPolarHBondContact O-CB 3.29Å; L116-S119 PolarHBondContact O-N 3.49Å; I117-S119 VanDerWaalsContact C-N 3.32Å; I117-S119 PolarHBondContact O-N 2.98Å; S119-V121 VanDerWaalsContact C-N 3.25Å; S119-V121 PolarHBondContact O-N 3.28Å; S119-F122 PolarHBondContact O-N 3.19Å; S119-F122 VanDerWaalsContact O-N 3.15Å; S119-I123 WeakPolarHBondContact O-CG1 3.4Å; S119-I123 PolarHBondContact O-N 3.39Å |
| 120 | P | 79.8 | Confident | 72.8 | Confident | 15 Ų | 15 | 91.5 Ų | 91.5 | 10% | 0.097 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -59.4 | -34.6 | 176.2 | -22.2 | 34 | 0 | 0 | 0 | 113.2 | L93 V96 F97 L100 I117 L124 | L93-P120 HydrophobicContact CG-CB 4.39Å; V96-P120 HydrophobicContact CG1-CG 4.29Å; F97-P120 HydrophobicContact CB-CB 4.32Å; L100-P120 HydrophobicContact CD1-CG 4.32Å; I117-P120 VanDerWaalsContact O-CD 3.27Å; I117-P120 WeakPolarHBondContact O-CD 3.4Å; P120-L124 VanDerWaalsContact O-CB 3.29Å; P120-L124 WeakPolarHBondContact O-CB 3.46Å; P120-L124 PolarHBondContact O-N 3.17Å |
| 121 | V | 78.4 | Confident | 73.7 | Confident | 62 Ų | 62 | 82.7 Ų | 82.7 | 38% | 0.376 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.7 | -41.5 | 177.7 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | F97 T118 S119 L124 L125 | F97-V121 HydrophobicContact CD1-CG2 4.16Å; F97-V121 HydrophobicContact CD2-CG2 3.53Å; F97-V121 HydrophobicContact CE1-CG2 4.18Å; F97-V121 HydrophobicContact CE2-CG2 3.57Å; F97-V121 HydrophobicContact CG-CG2 3.81Å; F97-V121 HydrophobicContact CZ-CG2 3.88Å; T118-V121 WeakPolarHBondContact O-CB 3.43Å; T118-V121 PolarHBondContact O-N 3.4Å; S119-V121 VanDerWaalsContact C-N 3.25Å; S119-V121 PolarHBondContact O-N 3.28Å; V121-L124 WeakPolarHBondContact O-CB 3.27Å; V121-L124 PolarHBondContact O-N 3.45Å; V121-L125 WeakPolarHBondContact O-CB 3.34Å; V121-L125 PolarHBondContact O-N 3.21Å |
| 122 | F | 79.4 | Confident | 74.5 | Confident | 123 Ų | 123 | 76 Ų | 76 | 54% | 0.539 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 175.7 | -81.9 | -75.1 | 0 | 0 | 0 | 112.1 | T118 S119 L124 L125 Q126 | T118-F122 VanDerWaalsContact O-CD2 3.31Å; T118-F122 WeakPolarHBondContact O-CD2 3.39Å; T118-F122 PolarHBondContact O-N 2.97Å; T118-F122 VanDerWaalsContact O-N 3.09Å; S119-F122 PolarHBondContact O-N 3.19Å; S119-F122 VanDerWaalsContact O-N 3.15Å; F122-L124 VanDerWaalsContact C-N 3.32Å; F122-L124 PolarHBondContact O-N 2.97Å; F122-L125 PolarHBondContact O-N 3.25Å; F122-Q126 WeakPolarHBondContact O-CG 3.25Å; F122-Q126 PolarHBondContact O-N 3.15Å |
| 123 | I | 81.4 | Confident | 75.1 | Confident | 77 Ų | 77 | 78.6 Ų | 78.6 | 40% | 0.395 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 175.5 | -63.9 | 165.7 | 0 | 0 | 0 | 110.1 | L93 S119 L125 Q126 L127 | L93-I123 HydrophobicContact CD2-CB 4.01Å; L93-I123 HydrophobicContact CD2-CG2 3.72Å; S119-I123 WeakPolarHBondContact O-CG1 3.4Å; S119-I123 PolarHBondContact O-N 3.39Å; I123-L125 VanDerWaalsContact C-N 3.34Å; I123-L125 PolarHBondContact O-N 3.42Å; I123-Q126 PolarHBondContact O-N 3Å; I123-L127 HydrophobicContact CG2-CD1 4.02Å; I123-L127 HydrophobicContact CG2-CG 4.44Å; I123-L127 WeakPolarHBondContact O-CB 3.49Å; I123-L127 WeakPolarHBondContact O-CG 3.31Å; I123-L127 PolarHBondContact O-N 3.15Å |
| 124 | L | 79.5 | Confident | 75.2 | Confident | 36 Ų | 36 | 78.5 Ų | 78.5 | 19% | 0.188 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60 | -43.6 | 176.4 | -176.8 | 68.4 | 0 | 0 | 0 | 111.8 | V90 L93 P120 V121 F122 L127 L128 | V90-L124 HydrophobicContact CB-CD1 3.98Å; V90-L124 HydrophobicContact CG1-CD1 3.65Å; V90-L124 HydrophobicContact CG2-CD1 3.7Å; L93-L124 HydrophobicContact CD2-CB 4.32Å; P120-L124 VanDerWaalsContact O-CB 3.29Å; P120-L124 WeakPolarHBondContact O-CB 3.46Å; P120-L124 PolarHBondContact O-N 3.17Å; V121-L124 WeakPolarHBondContact O-CB 3.27Å; V121-L124 PolarHBondContact O-N 3.45Å; F122-L124 VanDerWaalsContact C-N 3.32Å; F122-L124 PolarHBondContact O-N 2.97Å; L124-L127 PolarHBondContact O-N 3.41Å; L124-L128 HydrophobicContact CG-CD1 4.28Å; L124-L128 WeakPolarHBondContact O-CG 3.44Å; L124-L128 PolarHBondContact O-N 3.04Å |
| 125 | L | 78.1 | Confident | 74.9 | Confident | 116 Ų | 116 | 74.1 Ų | 74.1 | 61% | 0.607 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.1 | -41.8 | 178.9 | -158.1 | 81.7 | 0 | 0 | 0 | 111.8 | V121 F122 I123 L128 M129 | V121-L125 WeakPolarHBondContact O-CB 3.34Å; V121-L125 PolarHBondContact O-N 3.21Å; F122-L125 PolarHBondContact O-N 3.25Å; I123-L125 VanDerWaalsContact C-N 3.34Å; I123-L125 PolarHBondContact O-N 3.42Å; L125-L128 PolarHBondContact O-N 3.09Å; L125-M129 PolarHBondContact O-N 3.26Å |
| 126 | Q | 81.2 | Confident | 73.8 | Confident | 123 Ų | 123 | 81.5 Ų | 81.5 | 58% | 0.575 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.8 | -43.3 | 176.2 | -72.3 | 176.8 | 3.8 | 0 | 0 | 111.9 | F122 I123 L128 M129 I130 | F122-Q126 WeakPolarHBondContact O-CG 3.25Å; F122-Q126 PolarHBondContact O-N 3.15Å; I123-Q126 PolarHBondContact O-N 3Å; Q126-L128 VanDerWaalsContact C-N 3.33Å; Q126-L128 PolarHBondContact O-N 2.97Å; Q126-M129 WeakPolarHBondContact O-CB 3.42Å; Q126-M129 PolarHBondContact O-N 3.49Å; Q126-I130 WeakPolarHBondContact O-CG1 3.32Å; Q126-I130 PolarHBondContact O-N 3.1Å |
| 127 | L | 78.9 | Confident | 73.9 | Confident | 48 Ų | 48 | 80.1 Ų | 80.1 | 25% | 0.251 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 175.2 | -77.8 | 172.1 | 0 | 0 | 0 | 111.5 | W86 L93 I123 L124 M129 I130 R131 | W86-L127 HydrophobicContact CH2-CB 3.68Å; W86-L127 HydrophobicContact CH2-CD2 4.08Å; W86-L127 HydrophobicContact CH2-CG 4.4Å; W86-L127 WeakPolarHBondContact CH2-O 3.2Å; W86-L127 HydrophobicContact CZ2-CB 4.18Å; W86-L127 HydrophobicContact CZ3-CB 4.5Å; W86-L127 HydrophobicContact CZ3-CD2 4.12Å; L93-L127 HydrophobicContact CD2-CD1 4.46Å; I123-L127 HydrophobicContact CG2-CD1 4.02Å; I123-L127 HydrophobicContact CG2-CG 4.44Å; I123-L127 WeakPolarHBondContact O-CB 3.49Å; I123-L127 WeakPolarHBondContact O-CG 3.31Å; I123-L127 PolarHBondContact O-N 3.15Å; L124-L127 PolarHBondContact O-N 3.41Å; L127-M129 VanDerWaalsContact C-N 3.34Å; L127-M129 PolarHBondContact O-N 3.41Å; L127-I130 PolarHBondContact O-N 3.03Å; L127-R131 PolarHBondContact O-N 3.35Å; L127-R131 VanDerWaalsContact O-N 3.09Å |
| 128 | L | 74.4 | Confident | 73.9 | Confident | 41 Ų | 41 | 84.2 Ų | 84.2 | 22% | 0.215 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -61.9 | -41 | 175.7 | -74.1 | 168.5 | 0 | 0 | 0 | 112.1 | L12 L124 L125 Q126 R131 A132 | L12-L128 HydrophobicContact CD1-CD1 4.4Å; L12-L128 HydrophobicContact CD1-CD2 3.7Å; L124-L128 HydrophobicContact CG-CD1 4.28Å; L124-L128 WeakPolarHBondContact O-CG 3.44Å; L124-L128 PolarHBondContact O-N 3.04Å; L125-L128 PolarHBondContact O-N 3.09Å; Q126-L128 VanDerWaalsContact C-N 3.33Å; Q126-L128 PolarHBondContact O-N 2.97Å; L128-R131 PolarHBondContact O-N 3.46Å; L128-A132 WeakPolarHBondContact O-CB 3.12Å; L128-A132 PolarHBondContact O-N 3.48Å |
| 129 | M | 78.3 | Confident | 74 | Confident | 127 Ų | 127 | 86.9 Ų | 86.9 | 63% | 0.626 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.6 | -44 | 177.2 | -165.4 | -174.1 | 85.3 | 0 | 0 | 112.2 | L125 Q126 L127 R131 A132 C133 | L125-M129 PolarHBondContact O-N 3.26Å; Q126-M129 WeakPolarHBondContact O-CB 3.42Å; Q126-M129 PolarHBondContact O-N 3.49Å; L127-M129 VanDerWaalsContact C-N 3.34Å; L127-M129 PolarHBondContact O-N 3.41Å; M129-R131 VanDerWaalsContact C-N 3.31Å; M129-R131 PolarHBondContact O-N 3.04Å; M129-A132 WeakPolarHBondContact O-CB 3.49Å; M129-A132 PolarHBondContact O-N 3.03Å; M129-C133 PolarHBondContact O-N 3.35Å; M129-C133 PolarHBondContact O-SG 3.44Å; M129-C133 VanDerWaalsContact O-SG 3.37Å |
| 130 | I | 79 | Confident | 73.6 | Confident | 105 Ų | 105 | 89.2 Ų | 89.2 | 54% | 0.538 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 177.7 | -66.2 | 165.9 | 0 | 0 | 0 | 110.7 | Q126 L127 C133 R134 | Q126-I130 WeakPolarHBondContact O-CG1 3.32Å; Q126-I130 PolarHBondContact O-N 3.1Å; L127-I130 PolarHBondContact O-N 3.03Å; I130-C133 PolarHBondContact O-N 2.74Å; I130-R134 PolarHBondContact O-N 3.4Å |
| 131 | R | 70.6 | Confident | 73.2 | Confident | 54 Ų | 54 | 93.8 Ų | 93.8 | 20% | 0.204 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -68 | -40 | 178.7 | -169.5 | 173.1 | 174.2 | -171 | -10.7 | 111.7 | Q10 W11 W86 L127 L128 M129 C133 R134 V135 | Q10-R131 PolarHBondContact O-NH2 3.25Å; W11-R131 WeakPolarHBondContact O-CD 3.4Å; W11-R131 PolarHBondContact O-NE 2.82Å; W11-R131 PolarHBondContact O-NH1 3.02Å; W86-R131 HydrophobicContact CH2-CB 4.14Å; W86-R131 HydrophobicContact CZ2-CB 4.08Å; W86-R131 HydrophobicContact CZ2-CG 4.5Å; L127-R131 PolarHBondContact O-N 3.35Å; L127-R131 VanDerWaalsContact O-N 3.09Å; L128-R131 PolarHBondContact O-N 3.46Å; M129-R131 VanDerWaalsContact C-N 3.31Å; M129-R131 PolarHBondContact O-N 3.04Å; R131-C133 VanDerWaalsContact C-N 3.25Å; R131-C133 PolarHBondContact O-N 2.78Å; R131-R134 PolarHBondContact O-N 2.94Å; R131-V135 HydrophobicContact CG-CG2 4.18Å; R131-V135 VanDerWaalsContact O-CG2 3.3Å; R131-V135 WeakPolarHBondContact O-CG2 3.5Å; R131-V135 PolarHBondContact O-N 3.08Å |
| 132 | A | 69.6 | Low | 72.9 | Confident | 19 Ų | 19 | 95.9 Ų | 95.9 | 16% | 0.157 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -53.8 | -43.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W11 L128 M129 R134 | W11-A132 HydrophobicContact CD2-CB 4.32Å; W11-A132 HydrophobicContact CE3-CB 3.69Å; W11-A132 HydrophobicContact CH2-CB 3.35Å; W11-A132 HydrophobicContact CZ2-CB 4Å; W11-A132 HydrophobicContact CZ3-CB 3.17Å; L128-A132 WeakPolarHBondContact O-CB 3.12Å; L128-A132 PolarHBondContact O-N 3.48Å; M129-A132 WeakPolarHBondContact O-CB 3.49Å; M129-A132 PolarHBondContact O-N 3.03Å; A132-R134 VanDerWaalsContact C-N 3.3Å; A132-R134 PolarHBondContact O-N 3.08Å |
| 133 | C | 70.6 | Confident | 72.4 | Confident | 95 Ų | 95 | 94 Ų | 94 | 64% | 0.642 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -70.9 | -19.8 | 178.1 | -63.9 | 0 | 0 | 0 | 0 | 114.4 | M129 I130 R131 | M129-C133 PolarHBondContact O-N 3.35Å; M129-C133 PolarHBondContact O-SG 3.44Å; M129-C133 VanDerWaalsContact O-SG 3.37Å; I130-C133 PolarHBondContact O-N 2.74Å; R131-C133 VanDerWaalsContact C-N 3.25Å; R131-C133 PolarHBondContact O-N 2.78Å |
| 134 | R | 66.6 | Low | 71.7 | Confident | 210 Ų | 210 | 95.3 Ų | 95.3 | 79% | 0.792 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -93.7 | -16.2 | -179.2 | -74.8 | -79.6 | -77.3 | -172 | -3.4 | 113.9 | I130 R131 A132 | I130-R134 PolarHBondContact O-N 3.4Å; R131-R134 PolarHBondContact O-N 2.94Å; A132-R134 VanDerWaalsContact C-N 3.3Å; A132-R134 PolarHBondContact O-N 3.08Å |
| 135 | V | 60.5 | Low | 71 | Confident | 59 Ų | 59 | 100.3 Ų | 100.3 | 36% | 0.358 | 51% | 0.506 | S | S | . | . | trans | -94.3 | -4.8 | -175.8 | 174.9 | 0 | 0 | 0 | 0 | 112.2 | R131 | R131-V135 HydrophobicContact CG-CG2 4.18Å; R131-V135 VanDerWaalsContact O-CG2 3.3Å; R131-V135 WeakPolarHBondContact O-CG2 3.5Å; R131-V135 PolarHBondContact O-N 3.08Å | ||
| 136 | N | 44.8 | Very low | 70.4 | Confident | 206 Ų | 206 | 98.8 Ų | 98.8 | 100% | 1.102 | 50% | 0.496 | S | S | * | . | trans | -92.6 | 0 | 172.1 | -129.7 | 33.6 | 0 | 0 | 0 | 111.1 |
Retrieved 136 of 136 residues in 140.3 ms
(Link to these results)