| 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 | C | 42.7 | Very low | 45.3 | Very low | 184 Ų | 184 | 127.2 Ų | 127.2 | 100% | 1.243 | 82% | 0.823 | S | S | * | * | 0 | 98.7 | 0 | -158.5 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 2 | G | 38 | Very low | 46.2 | Very low | 82 Ų | 82 | 125.8 Ų | 125.8 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -75.3 | 123.8 | -168 | 0 | 0 | 0 | 0 | 0 | 111.3 | G4 | G2-G4 PolarHBondContact O-N 3.08Š| ||
| 3 | T | 43 | Very low | 47.9 | Very low | 136 Ų | 136 | 124.6 Ų | 124.6 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -77 | 96.2 | 166.5 | 46 | 0 | 0 | 0 | 0 | 108 | T5 | T3-T5 PolarHBondContact O-N 2.93Š| ||
| 4 | G | 41.4 | Very low | 50.4 | Low | 73 Ų | 73 | 122.3 Ų | 122.3 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -72.8 | 107.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109 | G2 M6 | G2-G4 PolarHBondContact O-N 3.08Å; G4-M6 PolarHBondContact O-N 3.15Å | ||
| 5 | T | 45 | Very low | 53 | Low | 114 Ų | 114 | 115.9 Ų | 115.9 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | trans | -66 | 105.5 | 157.9 | 43 | 0 | 0 | 0 | 0 | 106.7 | T3 D7 | T3-T5 PolarHBondContact O-N 2.93Å; T5-D7 PolarHBondContact O-N 3.29Å | ||
| 6 | M | 43.3 | Very low | 55.4 | Low | 190 Ų | 190 | 116.8 Ų | 116.8 | 94% | 0.936 | 74% | 0.737 | S | S | * | * | trans | -69.5 | 91.8 | 160 | -79.5 | -179.6 | 169.9 | 0 | 0 | 106.1 | G4 S8 | G4-M6 PolarHBondContact O-N 3.15Å; M6-S8 VanDerWaalsContact C-N 3.28Å; M6-S8 PolarHBondContact O-N 3.25Å | ||
| 7 | D | 41.5 | Very low | 57.6 | Low | 137 Ų | 137 | 112.5 Ų | 112.5 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | trans | -60.1 | 101 | 160.8 | -69 | -33.5 | 0 | 0 | 0 | 105.9 | T5 E9 | T5-D7 PolarHBondContact O-N 3.29Å; D7-E9 PolarHBondContact O-N 3.23Å | ||
| 8 | S | 45.8 | Very low | 59.5 | Low | 115 Ų | 115 | 106.3 Ų | 106.3 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | trans | -66.2 | 91.1 | 165.9 | -175.9 | 0 | 0 | 0 | 0 | 105.6 | M6 A10 | M6-S8 VanDerWaalsContact C-N 3.28Å; M6-S8 PolarHBondContact O-N 3.25Å; S8-A10 PolarHBondContact O-N 3.02Å | ||
| 9 | E | 48.3 | Very low | 61.4 | Low | 180 Ų | 180 | 103.6 Ų | 103.6 | 84% | 0.841 | 65% | 0.653 | S | S | * | * | trans | -51.6 | 110.5 | 168.1 | -87.4 | -176.3 | 152.9 | 0 | 0 | 106.9 | D7 | D7-E9 PolarHBondContact O-N 3.23Š| ||
| 10 | A | 53.7 | Low | 63.1 | Low | 80 Ų | 80 | 103.5 Ų | 103.5 | 66% | 0.661 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 130.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | S8 | S8-A10 PolarHBondContact O-N 3.02Š|
| 11 | P | 55.2 | Low | 64.5 | Low | 108 Ų | 108 | 99.1 Ų | 99.1 | 70% | 0.701 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 143.2 | 179.7 | 21.2 | -31 | 0 | 0 | 0 | 109 | T13 | P11-T13 PolarHBondContact O-N 3.1Å; P11-T13 VanDerWaalsContact O-N 3.15Å |
| 12 | P | 56.9 | Low | 67 | Low | 111 Ų | 111 | 92.8 Ų | 92.8 | 72% | 0.721 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 127.1 | -176.7 | 19.7 | -30.7 | 0 | 0 | 0 | 109.5 | L14 | P12-L14 PolarHBondContact O-N 3.41Š|
| 13 | T | 68 | Low | 69.7 | Low | 110 Ų | 110 | 94 Ų | 94 | 68% | 0.675 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -61.5 | -13.8 | -175.6 | 47 | 0 | 0 | 0 | 0 | 113.6 | P11 L170 | P11-T13 PolarHBondContact O-N 3.1Å; P11-T13 VanDerWaalsContact O-N 3.15Å; T13-L170 VanDerWaalsContact O-CD2 3.31Å; T13-L170 WeakPolarHBondContact O-CD2 3.49Å |
| 14 | L | 82.6 | Confident | 72.2 | Confident | 92 Ų | 92 | 89 Ų | 89 | 48% | 0.482 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -139.8 | 112.5 | -179.3 | -163.4 | 76.6 | 0 | 0 | 0 | 109.2 | P12 V19 L170 | P12-L14 PolarHBondContact O-N 3.41Å; L14-V19 HydrophobicContact CD2-CG2 3.46Å; L14-V19 VanDerWaalsContact CD2-CG2 3.46Å; L14-V19 HydrophobicContact CG-CG2 3.81Å; L14-L170 HydrophobicContact CD1-CD1 4.25Å; L14-L170 HydrophobicContact CD1-CD2 4Å |
| 15 | S | 89.3 | Confident | 74.8 | Confident | 27 Ų | 27 | 86.3 Ų | 86.3 | 19% | 0.189 | 50% | 0.504 | C | S | . | . | trans | -80.6 | 159.4 | 177.6 | 95.2 | 0 | 0 | 0 | 0 | 110.5 | V17 S18 V19 E90 | S15-V17 PolarHBondContact O-N 3.08Å; S15-V17 PolarHBondContact OG-N 3.44Å; S15-S18 WeakPolarHBondContact CB-OG 3.36Å; S15-S18 PolarHBondContact N-OG 3.08Å; S15-S18 VanDerWaalsContact N-OG 3.15Å; S15-S18 VanDerWaalsContact O-CB 3.3Å; S15-S18 WeakPolarHBondContact O-CB 3.48Å; S15-S18 PolarHBondContact O-N 3.27Å; S15-S18 VanDerWaalsContact O-N 3.11Å; S15-S18 PolarHBondContact OG-N 3.43Å; S15-S18 PolarHBondContact OG-OG 3.11Å; S15-V19 PolarHBondContact O-N 3.12Å; S15-E90 PolarHBondContact OG-OE2 3.39Å | ||
| 16 | L | 91.8 | Very high | 77.3 | Confident | 130 Ų | 130 | 84.4 Ų | 84.4 | 68% | 0.681 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -57.7 | -38.4 | 171.6 | 177.3 | 61.8 | 0 | 0 | 0 | 110.9 | S18 V19 L20 | L16-S18 VanDerWaalsContact C-N 3.34Å; L16-V19 PolarHBondContact O-N 3.28Å; L16-L20 HydrophobicContact CD1-CD1 4.28Å; L16-L20 HydrophobicContact CD1-CG 4.22Å; L16-L20 HydrophobicContact CG-CD1 4.03Å; L16-L20 HydrophobicContact CG-CG 4.39Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.5Å; L16-L20 PolarHBondContact O-N 3.2Å |
| 17 | V | 92.7 | Very high | 79.9 | Confident | 43 Ų | 43 | 80.3 Ų | 80.3 | 26% | 0.261 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 176.4 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | S15 V19 L20 S21 E86 E90 | S15-V17 PolarHBondContact O-N 3.08Å; S15-V17 PolarHBondContact OG-N 3.44Å; V17-V19 VanDerWaalsContact C-N 3.35Å; V17-V19 PolarHBondContact O-N 3.4Å; V17-L20 PolarHBondContact O-N 2.95Å; V17-S21 VanDerWaalsContact O-CB 3.28Å; V17-S21 WeakPolarHBondContact O-CB 3.31Å; V17-S21 PolarHBondContact O-N 3.42Å; V17-S21 PolarHBondContact O-OG 3.38Å; V17-E86 HydrophobicContact CG1-CB 4.29Å; V17-E86 WeakPolarHBondContact CG1-O 3.21Å; V17-E90 HydrophobicContact CB-CB 4.34Å; V17-E90 HydrophobicContact CB-CG 4.41Å; V17-E90 HydrophobicContact CG1-CB 3.68Å; V17-E90 HydrophobicContact CG1-CG 4.16Å |
| 18 | S | 92.8 | Very high | 82.6 | Confident | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.007 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -56.7 | -48.8 | 173.3 | -45.4 | 0 | 0 | 0 | 0 | 110.9 | S15 L16 S21 M22 E90 Y175 | S15-S18 WeakPolarHBondContact CB-OG 3.36Å; S15-S18 PolarHBondContact N-OG 3.08Å; S15-S18 VanDerWaalsContact N-OG 3.15Å; S15-S18 VanDerWaalsContact O-CB 3.3Å; S15-S18 WeakPolarHBondContact O-CB 3.48Å; S15-S18 PolarHBondContact O-N 3.27Å; S15-S18 VanDerWaalsContact O-N 3.11Å; S15-S18 PolarHBondContact OG-N 3.43Å; S15-S18 PolarHBondContact OG-OG 3.11Å; L16-S18 VanDerWaalsContact C-N 3.34Å; S18-S21 PolarHBondContact O-N 3.28Å; S18-M22 VanDerWaalsContact O-CG 3.31Å; S18-M22 WeakPolarHBondContact O-CG 3.5Å; S18-M22 PolarHBondContact O-N 3.36Å; S18-E90 VanDerWaalsContact OG-CD 3.28Å; S18-E90 PolarHBondContact OG-OE1 3.21Å; S18-Y175 WeakPolarHBondContact CB-OH 3.43Å; S18-Y175 PolarHBondContact OG-OH 3.3Å; S18-Y175 VanDerWaalsContact OG-OH 3.06Å |
| 19 | V | 94.2 | Very high | 85.1 | Confident | 55 Ų | 55 | 73.1 Ų | 73.1 | 33% | 0.333 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.5 | -49.9 | 179.7 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | L14 S15 L16 V17 S21 M22 L23 | L14-V19 HydrophobicContact CD2-CG2 3.46Å; L14-V19 VanDerWaalsContact CD2-CG2 3.46Å; L14-V19 HydrophobicContact CG-CG2 3.81Å; S15-V19 PolarHBondContact O-N 3.12Å; L16-V19 PolarHBondContact O-N 3.28Å; V17-V19 VanDerWaalsContact C-N 3.35Å; V17-V19 PolarHBondContact O-N 3.4Å; V19-S21 VanDerWaalsContact C-N 3.29Å; V19-S21 PolarHBondContact O-N 2.99Å; V19-M22 PolarHBondContact O-N 3.12Å; V19-L23 HydrophobicContact CG1-CD1 4.18Å; V19-L23 WeakPolarHBondContact O-CG 3.5Å; V19-L23 PolarHBondContact O-N 3.1Å |
| 20 | L | 95.1 | Very high | 87.5 | Confident | 101 Ų | 101 | 69.1 Ų | 69.1 | 53% | 0.529 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.2 | -38.1 | 179.4 | -67.8 | 174.9 | 0 | 0 | 0 | 111.6 | L16 V17 L23 G24 | L16-L20 HydrophobicContact CD1-CD1 4.28Å; L16-L20 HydrophobicContact CD1-CG 4.22Å; L16-L20 HydrophobicContact CG-CD1 4.03Å; L16-L20 HydrophobicContact CG-CG 4.39Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.5Å; L16-L20 PolarHBondContact O-N 3.2Å; V17-L20 PolarHBondContact O-N 2.95Å; L20-L23 PolarHBondContact O-N 3.24Å; L20-G24 PolarHBondContact O-N 2.92Å |
| 21 | S | 93.9 | Very high | 89.6 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 8% | 0.084 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 176.3 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | V17 S18 V19 G24 C25 L87 | V17-S21 VanDerWaalsContact O-CB 3.28Å; V17-S21 WeakPolarHBondContact O-CB 3.31Å; V17-S21 PolarHBondContact O-N 3.42Å; V17-S21 PolarHBondContact O-OG 3.38Å; S18-S21 PolarHBondContact O-N 3.28Å; V19-S21 VanDerWaalsContact C-N 3.29Å; V19-S21 PolarHBondContact O-N 2.99Å; S21-G24 PolarHBondContact O-N 2.95Å; S21-C25 PolarHBondContact O-N 3.47Å; S21-C25 PolarHBondContact O-SG 2.86Å; S21-L87 WeakPolarHBondContact OG-CG 3.26Å |
| 22 | M | 94.1 | Very high | 91.7 | Very high | 52 Ų | 52 | 63.1 Ų | 63.1 | 26% | 0.256 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.6 | -37 | 175.8 | -65 | -57.3 | 85.8 | 0 | 0 | 112.6 | S18 V19 G24 C25 S26 V174 Y175 F179 | S18-M22 VanDerWaalsContact O-CG 3.31Å; S18-M22 WeakPolarHBondContact O-CG 3.5Å; S18-M22 PolarHBondContact O-N 3.36Å; V19-M22 PolarHBondContact O-N 3.12Å; M22-G24 VanDerWaalsContact C-N 3.34Å; M22-C25 PolarHBondContact O-N 3.29Å; M22-S26 WeakPolarHBondContact O-CB 3.47Å; M22-S26 PolarHBondContact O-N 3.02Å; M22-S26 PolarHBondContact O-OG 3.28Å; M22-V174 HydrophobicContact SD-CG1 4.21Å; M22-Y175 HydrophobicContact CE-CE1 4.34Å; M22-F179 HydrophobicContact CE-CE2 3.48Å; M22-F179 VanDerWaalsContact CE-CE2 3.48Å; M22-F179 HydrophobicContact CE-CZ 3.51Å; M22-F179 HydrophobicContact SD-CE2 3.7Å; M22-F179 HydrophobicContact SD-CZ 3.71Å |
| 23 | L | 95.6 | Very high | 93.7 | Very high | 107 Ų | 107 | 59.2 Ų | 59.2 | 56% | 0.56 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.9 | -39.6 | 172 | -70.5 | 173.7 | 0 | 0 | 0 | 111.4 | V19 L20 S26 L27 | V19-L23 HydrophobicContact CG1-CD1 4.18Å; V19-L23 WeakPolarHBondContact O-CG 3.5Å; V19-L23 PolarHBondContact O-N 3.1Å; L20-L23 PolarHBondContact O-N 3.24Å; L23-S26 PolarHBondContact O-N 3.26Å; L23-L27 WeakPolarHBondContact O-CB 3.45Å; L23-L27 PolarHBondContact O-N 3.47Å |
| 24 | G | 95.8 | Very high | 95.1 | Very high | 31 Ų | 31 | 59 Ų | 59 | 32% | 0.32 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.3 | -49.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L20 S21 M22 S26 L27 Q28 | L20-G24 PolarHBondContact O-N 2.92Å; S21-G24 PolarHBondContact O-N 2.95Å; M22-G24 VanDerWaalsContact C-N 3.34Å; G24-S26 VanDerWaalsContact C-N 3.31Å; G24-S26 PolarHBondContact O-N 3.43Å; G24-L27 WeakPolarHBondContact O-CB 3.29Å; G24-L27 PolarHBondContact O-N 2.92Å; G24-L27 VanDerWaalsContact O-N 3.16Å; G24-Q28 WeakPolarHBondContact O-CG 3.38Å; G24-Q28 PolarHBondContact O-N 2.88Å |
| 25 | C | 96.1 | Very high | 95.8 | Very high | 17 Ų | 17 | 57.2 Ų | 57.2 | 12% | 0.115 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 176.2 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | S21 M22 L27 Q28 L29 F179 | S21-C25 PolarHBondContact O-N 3.47Å; S21-C25 PolarHBondContact O-SG 2.86Å; M22-C25 PolarHBondContact O-N 3.29Å; C25-L27 VanDerWaalsContact C-N 3.33Å; C25-L27 PolarHBondContact O-N 2.99Å; C25-Q28 PolarHBondContact O-N 2.88Å; C25-L29 PolarHBondContact O-N 2.73Å; C25-F179 HydrophobicContact CB-CE1 4.24Å; C25-F179 HydrophobicContact CB-CZ 4.31Å |
| 26 | S | 97 | Very high | 96.2 | Very high | 73 Ų | 73 | 55.9 Ų | 55.9 | 51% | 0.51 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 177.1 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | M22 L23 G24 L29 L30 | M22-S26 WeakPolarHBondContact O-CB 3.47Å; M22-S26 PolarHBondContact O-N 3.02Å; M22-S26 PolarHBondContact O-OG 3.28Å; L23-S26 PolarHBondContact O-N 3.26Å; G24-S26 VanDerWaalsContact C-N 3.31Å; G24-S26 PolarHBondContact O-N 3.43Å; S26-L29 PolarHBondContact O-N 3.44Å; S26-L30 WeakPolarHBondContact O-CB 3.48Å; S26-L30 PolarHBondContact O-N 3.33Å |
| 27 | L | 98.1 | Very high | 96.4 | Very high | 104 Ų | 104 | 56.5 Ų | 56.5 | 55% | 0.545 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.4 | -41.9 | 175.5 | -179.9 | 61.5 | 0 | 0 | 0 | 111.5 | L23 G24 C25 L29 L30 V31 | L23-L27 WeakPolarHBondContact O-CB 3.45Å; L23-L27 PolarHBondContact O-N 3.47Å; G24-L27 WeakPolarHBondContact O-CB 3.29Å; G24-L27 PolarHBondContact O-N 2.92Å; G24-L27 VanDerWaalsContact O-N 3.16Å; C25-L27 VanDerWaalsContact C-N 3.33Å; C25-L27 PolarHBondContact O-N 2.99Å; L27-L29 VanDerWaalsContact C-N 3.33Å; L27-L29 PolarHBondContact O-N 2.99Å; L27-L30 HydrophobicContact CD1-CD2 4.35Å; L27-L30 WeakPolarHBondContact O-CB 3.49Å; L27-L30 PolarHBondContact O-N 2.91Å; L27-V31 WeakPolarHBondContact O-CG2 3.35Å; L27-V31 PolarHBondContact O-N 3.42Å |
| 28 | Q | 98.3 | Very high | 96.6 | Very high | 20 Ų | 20 | 62.6 Ų | 62.6 | 9% | 0.093 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 174.1 | -69.8 | 169.8 | -40.7 | 0 | 0 | 111.3 | G24 C25 L30 V31 A32 Y56 I59 T63 | G24-Q28 WeakPolarHBondContact O-CG 3.38Å; G24-Q28 PolarHBondContact O-N 2.88Å; C25-Q28 PolarHBondContact O-N 2.88Å; Q28-L30 VanDerWaalsContact C-N 3.34Å; Q28-L30 PolarHBondContact O-N 3.31Å; Q28-V31 PolarHBondContact O-N 3.38Å; Q28-A32 PolarHBondContact O-N 3.21Å; Q28-Y56 HydrophobicContact CB-CD2 4.24Å; Q28-Y56 HydrophobicContact CB-CE2 3.87Å; Q28-I59 HydrophobicContact CB-CG2 3.73Å; Q28-I59 HydrophobicContact CG-CG2 3.62Å; Q28-T63 PolarHBondContact NE2-OG1 3.36Å |
| 29 | L | 98.2 | Very high | 96.7 | Very high | 82 Ų | 82 | 68.7 Ų | 68.7 | 43% | 0.429 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 176 | -179.4 | 61.3 | 0 | 0 | 0 | 112 | C25 S26 L27 A32 A33 L52 Y56 | C25-L29 PolarHBondContact O-N 2.73Å; S26-L29 PolarHBondContact O-N 3.44Å; L27-L29 VanDerWaalsContact C-N 3.33Å; L27-L29 PolarHBondContact O-N 2.99Å; L29-A32 PolarHBondContact O-N 3.25Å; L29-A33 WeakPolarHBondContact O-CB 3.39Å; L29-A33 PolarHBondContact O-N 3.34Å; L29-L52 HydrophobicContact CD1-CD1 4.17Å; L29-Y56 HydrophobicContact CB-CD2 4.09Å; L29-Y56 HydrophobicContact CB-CE2 4.01Å; L29-Y56 HydrophobicContact CD1-CD2 4.22Å; L29-Y56 HydrophobicContact CD1-CG 4.38Å |
| 30 | L | 98.4 | Very high | 96.4 | Very high | 96 Ų | 96 | 66.1 Ų | 66.1 | 50% | 0.503 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 174.4 | 176 | 62.1 | 0 | 0 | 0 | 111.2 | S26 L27 Q28 A32 A33 L34 | S26-L30 WeakPolarHBondContact O-CB 3.48Å; S26-L30 PolarHBondContact O-N 3.33Å; L27-L30 HydrophobicContact CD1-CD2 4.35Å; L27-L30 WeakPolarHBondContact O-CB 3.49Å; L27-L30 PolarHBondContact O-N 2.91Å; Q28-L30 VanDerWaalsContact C-N 3.34Å; Q28-L30 PolarHBondContact O-N 3.31Å; L30-A32 VanDerWaalsContact C-N 3.34Å; L30-A32 PolarHBondContact O-N 2.98Å; L30-A33 PolarHBondContact O-N 2.99Å; L30-L34 HydrophobicContact CD1-CD1 4.43Å; L30-L34 HydrophobicContact CD1-CG 4.31Å; L30-L34 HydrophobicContact CG-CD1 4.25Å; L30-L34 VanDerWaalsContact O-CG 3.3Å; L30-L34 WeakPolarHBondContact O-CG 3.34Å; L30-L34 PolarHBondContact O-N 3.23Å |
| 31 | V | 98.6 | Very high | 95.4 | Very high | 61 Ų | 61 | 64.8 Ų | 64.8 | 37% | 0.37 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 176.5 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | L27 Q28 A33 L34 L35 I59 | L27-V31 WeakPolarHBondContact O-CG2 3.35Å; L27-V31 PolarHBondContact O-N 3.42Å; Q28-V31 PolarHBondContact O-N 3.38Å; V31-A33 VanDerWaalsContact C-N 3.31Å; V31-A33 PolarHBondContact O-N 3.09Å; V31-L34 PolarHBondContact O-N 3.34Å; V31-L35 HydrophobicContact CG1-CD1 4.09Å; V31-L35 HydrophobicContact CG1-CG 4.4Å; V31-L35 WeakPolarHBondContact O-CG 3.4Å; V31-L35 PolarHBondContact O-N 3.26Å; V31-I59 HydrophobicContact CB-CD1 4.13Å; V31-I59 HydrophobicContact CG1-CD1 3.7Å |
| 32 | A | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.3 | -42.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q28 L29 L30 L35 T36 L52 F55 Y56 I59 | Q28-A32 PolarHBondContact O-N 3.21Å; L29-A32 PolarHBondContact O-N 3.25Å; L30-A32 VanDerWaalsContact C-N 3.34Å; L30-A32 PolarHBondContact O-N 2.98Å; A32-L35 PolarHBondContact O-N 3.14Å; A32-T36 WeakPolarHBondContact O-CB 3.31Å; A32-T36 PolarHBondContact O-N 3.39Å; A32-T36 PolarHBondContact O-OG1 3.17Å; A32-L52 HydrophobicContact CB-CD1 3.98Å; A32-F55 HydrophobicContact CB-CB 3.92Å; A32-Y56 HydrophobicContact CB-CD2 4.46Å; A32-I59 HydrophobicContact CB-CD1 4.15Å |
| 33 | A | 98.1 | Very high | 94.1 | Very high | 30 Ų | 30 | 75.4 Ų | 75.4 | 25% | 0.248 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L29 L30 V31 T36 H37 L52 | L29-A33 WeakPolarHBondContact O-CB 3.39Å; L29-A33 PolarHBondContact O-N 3.34Å; L30-A33 PolarHBondContact O-N 2.99Å; V31-A33 VanDerWaalsContact C-N 3.31Å; V31-A33 PolarHBondContact O-N 3.09Å; A33-T36 PolarHBondContact O-N 3.19Å; A33-H37 WeakPolarHBondContact O-CB 3.42Å; A33-H37 PolarHBondContact O-N 2.9Å; A33-L52 HydrophobicContact CB-CD1 3.92Å |
| 34 | L | 98.1 | Very high | 94 | Very high | 105 Ų | 105 | 73 Ų | 73 | 55% | 0.55 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 175.7 | -68.9 | 173.5 | 0 | 0 | 0 | 111.8 | L30 V31 H37 R38 | L30-L34 HydrophobicContact CD1-CD1 4.43Å; L30-L34 HydrophobicContact CD1-CG 4.31Å; L30-L34 HydrophobicContact CG-CD1 4.25Å; L30-L34 VanDerWaalsContact O-CG 3.3Å; L30-L34 WeakPolarHBondContact O-CG 3.34Å; L30-L34 PolarHBondContact O-N 3.23Å; V31-L34 PolarHBondContact O-N 3.34Å; L34-H37 PolarHBondContact O-N 3.48Å; L34-R38 VanDerWaalsContact O-CB 3.22Å; L34-R38 WeakPolarHBondContact O-CB 3.21Å; L34-R38 PolarHBondContact O-N 3.42Å |
| 35 | L | 98 | Very high | 93.9 | Very high | 54 Ų | 54 | 80.3 Ų | 80.3 | 28% | 0.283 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 174.2 | -68.3 | 171.5 | 0 | 0 | 0 | 110.9 | V31 A32 H37 R38 Y39 F55 I59 | V31-L35 HydrophobicContact CG1-CD1 4.09Å; V31-L35 HydrophobicContact CG1-CG 4.4Å; V31-L35 WeakPolarHBondContact O-CG 3.4Å; V31-L35 PolarHBondContact O-N 3.26Å; A32-L35 PolarHBondContact O-N 3.14Å; L35-H37 VanDerWaalsContact C-N 3.34Å; L35-H37 PolarHBondContact O-N 3.09Å; L35-R38 PolarHBondContact O-N 2.89Å; L35-R38 VanDerWaalsContact O-N 3.12Å; L35-Y39 HydrophobicContact CB-CD2 4.4Å; L35-Y39 HydrophobicContact CD2-CD2 4.36Å; L35-Y39 HydrophobicContact CD2-CE2 3.81Å; L35-Y39 WeakPolarHBondContact O-CD2 3.47Å; L35-Y39 PolarHBondContact O-N 3.43Å; L35-F55 HydrophobicContact CB-CB 4.5Å; L35-F55 HydrophobicContact CB-CD1 4.03Å; L35-F55 HydrophobicContact CB-CD2 3.93Å; L35-F55 HydrophobicContact CB-CE1 4.19Å; L35-F55 HydrophobicContact CB-CE2 4.1Å; L35-F55 HydrophobicContact CB-CG 3.91Å; L35-F55 HydrophobicContact CB-CZ 4.22Å; L35-F55 HydrophobicContact CD1-CB 4.41Å; L35-F55 HydrophobicContact CD1-CD1 3.88Å; L35-F55 HydrophobicContact CD1-CE1 4.41Å; L35-F55 HydrophobicContact CD1-CG 4.23Å; L35-I59 HydrophobicContact CD1-CD1 4.05Å |
| 36 | T | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 177.2 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | A32 A33 R38 G40 W48 L51 L52 F55 | A32-T36 WeakPolarHBondContact O-CB 3.31Å; A32-T36 PolarHBondContact O-N 3.39Å; A32-T36 PolarHBondContact O-OG1 3.17Å; A33-T36 PolarHBondContact O-N 3.19Å; T36-R38 VanDerWaalsContact C-N 3.33Å; T36-R38 PolarHBondContact O-N 3.26Å; T36-G40 WeakPolarHBondContact O-CA 3.44Å; T36-G40 PolarHBondContact O-N 3.03Å; T36-W48 HydrophobicContact CG2-CD2 3.74Å; T36-W48 HydrophobicContact CG2-CE3 4.41Å; T36-W48 HydrophobicContact CG2-CG 3.91Å; T36-W48 HydrophobicContact CG2-CZ2 3.98Å; T36-W48 VanDerWaalsContact CG2-O 3.3Å; T36-W48 WeakPolarHBondContact CG2-O 3.32Å; T36-L51 HydrophobicContact CG2-CB 3.89Å; T36-L52 HydrophobicContact CG2-CB 4.23Å; T36-L52 WeakPolarHBondContact OG1-CA 3.35Å; T36-L52 PolarHBondContact OG1-N 3.04Å; T36-F55 WeakPolarHBondContact OG1-CD2 3.4Å |
| 37 | H | 95.9 | Very high | 93.7 | Very high | 142 Ų | 142 | 80.9 Ų | 80.9 | 66% | 0.657 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.9 | -39.6 | 175.9 | -177.2 | -91.2 | 0 | 0 | 0 | 111.9 | A33 L34 L35 | A33-H37 WeakPolarHBondContact O-CB 3.42Å; A33-H37 PolarHBondContact O-N 2.9Å; L34-H37 PolarHBondContact O-N 3.48Å; L35-H37 VanDerWaalsContact C-N 3.34Å; L35-H37 PolarHBondContact O-N 3.09Å |
| 38 | R | 96 | Very high | 93.6 | Very high | 172 Ų | 172 | 79.5 Ų | 79.5 | 65% | 0.649 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -70.8 | -34.7 | -178.2 | 178.4 | 59.3 | -177.7 | 78.4 | 1.3 | 113.8 | L34 L35 T36 | L34-R38 VanDerWaalsContact O-CB 3.22Å; L34-R38 WeakPolarHBondContact O-CB 3.21Å; L34-R38 PolarHBondContact O-N 3.42Å; L35-R38 PolarHBondContact O-N 2.89Å; L35-R38 VanDerWaalsContact O-N 3.12Å; T36-R38 VanDerWaalsContact C-N 3.33Å; T36-R38 PolarHBondContact O-N 3.26Å |
| 39 | Y | 94.5 | Very high | 93.6 | Very high | 128 Ų | 128 | 86.7 Ų | 86.7 | 50% | 0.502 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -108.9 | -30.1 | -173.9 | -65 | -69.6 | 0 | 0 | 0 | 113.6 | L35 G41 F55 L128 | L35-Y39 HydrophobicContact CB-CD2 4.4Å; L35-Y39 HydrophobicContact CD2-CD2 4.36Å; L35-Y39 HydrophobicContact CD2-CE2 3.81Å; L35-Y39 WeakPolarHBondContact O-CD2 3.47Å; L35-Y39 PolarHBondContact O-N 3.43Å; Y39-G41 PolarHBondContact O-N 3.31Å; Y39-F55 HydrophobicContact CD2-CZ 4.05Å; Y39-L128 WeakPolarHBondContact O-CD2 3.37Å |
| 40 | G | 88.3 | Confident | 93.6 | Very high | 2 Ų | 2 | 83.2 Ų | 83.2 | 2% | 0.021 | 41% | 0.405 | C | S | . | . | trans | -87 | 10.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115.7 | T36 R42 S43 | T36-G40 WeakPolarHBondContact O-CA 3.44Å; T36-G40 PolarHBondContact O-N 3.03Å; G40-R42 PolarHBondContact O-N 3.49Å; G40-S43 VanDerWaalsContact O-CB 3.26Å; G40-S43 WeakPolarHBondContact O-CB 3.31Å; G40-S43 PolarHBondContact O-N 2.92Å; G40-S43 PolarHBondContact O-OG 2.88Å | ||
| 41 | G | 74.3 | Confident | 93.6 | Very high | 72 Ų | 72 | 78.7 Ų | 78.7 | 74% | 0.742 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -8.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y39 | Y39-G41 PolarHBondContact O-N 3.31Š|
| 42 | R | 76.8 | Confident | 93.6 | Very high | 252 Ų | 252 | 76.8 Ų | 76.8 | 95% | 0.951 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | 1.2 | 173.9 | -66.9 | -174.6 | 176.1 | -179.9 | -1 | 113.5 | G40 | G40-R42 PolarHBondContact O-N 3.49Š|
| 43 | S | 83.6 | Confident | 93.6 | Very high | 35 Ų | 35 | 77.7 Ų | 77.7 | 25% | 0.245 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -83.9 | 153.9 | -171.9 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | G40 | G40-S43 VanDerWaalsContact O-CB 3.26Å; G40-S43 WeakPolarHBondContact O-CB 3.31Å; G40-S43 PolarHBondContact O-N 2.92Å; G40-S43 PolarHBondContact O-OG 2.88Å |
| 44 | S | 92.8 | Very high | 93.6 | Very high | 57 Ų | 57 | 76.3 Ų | 76.3 | 40% | 0.399 | 36% | 0.36 | S | S | . | . | trans | -63.1 | 164.5 | 172.6 | 71.5 | 0 | 0 | 0 | 0 | 110.9 | T46 D47 W48 | S44-T46 PolarHBondContact O-N 3.16Å; S44-D47 PolarHBondContact N-OD2 3.07Å; S44-D47 PolarHBondContact O-N 2.77Å; S44-D47 VanDerWaalsContact O-N 3.16Å; S44-D47 WeakPolarHBondContact OG-CB 3.2Å; S44-D47 PolarHBondContact OG-N 3.28Å; S44-D47 VanDerWaalsContact OG-N 3.13Å; S44-D47 PolarHBondContact OG-OD2 2.68Å; S44-W48 WeakPolarHBondContact O-CB 3.08Å; S44-W48 PolarHBondContact O-N 2.72Å | ||
| 45 | K | 93.7 | Very high | 93.7 | Very high | 185 Ų | 185 | 72.4 Ų | 72.4 | 80% | 0.804 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -56.7 | -38.3 | 175.2 | -69.8 | -172.1 | -179.5 | -178.5 | 0 | 112 | W48 W49 | K45-W48 PolarHBondContact O-N 2.99Å; K45-W49 PolarHBondContact O-N 3.42Å |
| 46 | T | 94.8 | Very high | 93.7 | Very high | 75 Ų | 75 | 70.7 Ų | 70.7 | 46% | 0.46 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.3 | -49.2 | 176.5 | -54.8 | 0 | 0 | 0 | 0 | 110.7 | S44 W48 W49 I50 Q193 | S44-T46 PolarHBondContact O-N 3.16Å; T46-W48 PolarHBondContact O-N 3.29Å; T46-W49 PolarHBondContact O-N 3.27Å; T46-I50 HydrophobicContact CG2-CD1 3.94Å; T46-I50 WeakPolarHBondContact O-CG1 3.26Å; T46-I50 PolarHBondContact O-N 2.98Å; T46-Q193 HydrophobicContact CG2-CG 4.31Å |
| 47 | D | 95.7 | Very high | 93.7 | Very high | 26 Ų | 26 | 70.7 Ų | 70.7 | 14% | 0.139 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.8 | -32.5 | 179.4 | -61.9 | -27.5 | 0 | 0 | 0 | 112.2 | S44 I50 L51 V127 R134 | S44-D47 PolarHBondContact N-OD2 3.07Å; S44-D47 PolarHBondContact O-N 2.77Å; S44-D47 VanDerWaalsContact O-N 3.16Å; S44-D47 WeakPolarHBondContact OG-CB 3.2Å; S44-D47 PolarHBondContact OG-N 3.28Å; S44-D47 VanDerWaalsContact OG-N 3.13Å; S44-D47 PolarHBondContact OG-OD2 2.68Å; D47-I50 PolarHBondContact O-N 2.73Å; D47-L51 WeakPolarHBondContact O-CB 3.48Å; D47-L51 WeakPolarHBondContact O-CG 3.46Å; D47-L51 PolarHBondContact O-N 3.39Å; D47-V127 HydrophobicContact CB-CG1 3.95Å; D47-R134 IonicContact OD1-CZ 3.13Å; D47-R134 IonicContact OD1-NH1 2.72Å; D47-R134 PolarHBondContact OD1-NH1 3.27Å; D47-R134 IonicContact OD1-NH2 2.68Å; D47-R134 PolarHBondContact OD1-NH2 3.34Å; D47-R134 IonicContact OD2-NH1 3.83Å |
| 48 | W | 96.5 | Very high | 93.9 | Very high | 76 Ų | 76 | 64.6 Ų | 64.6 | 29% | 0.288 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 174.9 | -169 | 97.2 | 0 | 0 | 0 | 111.5 | T36 S44 K45 T46 L51 L52 | T36-W48 HydrophobicContact CG2-CD2 3.74Å; T36-W48 HydrophobicContact CG2-CE3 4.41Å; T36-W48 HydrophobicContact CG2-CG 3.91Å; T36-W48 HydrophobicContact CG2-CZ2 3.98Å; T36-W48 VanDerWaalsContact CG2-O 3.3Å; T36-W48 WeakPolarHBondContact CG2-O 3.32Å; S44-W48 WeakPolarHBondContact O-CB 3.08Å; S44-W48 PolarHBondContact O-N 2.72Å; K45-W48 PolarHBondContact O-N 2.99Å; T46-W48 PolarHBondContact O-N 3.29Å; W48-L51 PolarHBondContact O-N 3.05Å; W48-L52 HydrophobicContact CH2-CD2 4.03Å; W48-L52 HydrophobicContact CZ3-CB 4.2Å; W48-L52 HydrophobicContact CZ3-CD2 3.73Å; W48-L52 PolarHBondContact O-N 3.46Å |
| 49 | W | 97.6 | Very high | 94 | Very high | 171 Ų | 171 | 57.6 Ų | 57.6 | 65% | 0.648 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -66.6 | -36.8 | 176.7 | -73.1 | 114.7 | 0 | 0 | 0 | 112.6 | K45 T46 L52 W53 | K45-W49 PolarHBondContact O-N 3.42Å; T46-W49 PolarHBondContact O-N 3.27Å; W49-L52 HydrophobicContact CE3-CD2 3.7Å; W49-L52 HydrophobicContact CZ3-CD2 3.54Å; W49-L52 PolarHBondContact O-N 3.03Å; W49-W53 PolarHBondContact O-N 2.88Å |
| 50 | I | 98.1 | Very high | 94.2 | Very high | 9 Ų | 9 | 51.9 Ų | 51.9 | 5% | 0.046 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 174.5 | -66 | 171.8 | 0 | 0 | 0 | 110 | T46 D47 L52 W53 L54 V127 L190 | T46-I50 HydrophobicContact CG2-CD1 3.94Å; T46-I50 WeakPolarHBondContact O-CG1 3.26Å; T46-I50 PolarHBondContact O-N 2.98Å; D47-I50 PolarHBondContact O-N 2.73Å; I50-L52 VanDerWaalsContact C-N 3.34Å; I50-L52 PolarHBondContact O-N 3.42Å; I50-W53 PolarHBondContact O-N 3.13Å; I50-L54 HydrophobicContact CG2-CD1 3.66Å; I50-L54 HydrophobicContact CG2-CG 4.26Å; I50-L54 WeakPolarHBondContact O-CG 3.47Å; I50-L54 PolarHBondContact O-N 3.45Å; I50-V127 HydrophobicContact CG2-CG2 4.16Å; I50-L190 HydrophobicContact CB-CD2 4.45Å; I50-L190 HydrophobicContact CD1-CD2 4.13Å; I50-L190 HydrophobicContact CG1-CD2 3.65Å; I50-L190 HydrophobicContact CG2-CD2 4.28Å |
| 51 | L | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 176.9 | -72.9 | 168.4 | 0 | 0 | 0 | 111.9 | T36 D47 W48 W53 L54 F55 I124 V127 L128 | T36-L51 HydrophobicContact CG2-CB 3.89Å; D47-L51 WeakPolarHBondContact O-CB 3.48Å; D47-L51 WeakPolarHBondContact O-CG 3.46Å; D47-L51 PolarHBondContact O-N 3.39Å; W48-L51 PolarHBondContact O-N 3.05Å; L51-W53 PolarHBondContact O-N 2.9Å; L51-L54 PolarHBondContact O-N 3.35Å; L51-F55 HydrophobicContact CB-CD2 4.37Å; L51-F55 HydrophobicContact CB-CE2 4.29Å; L51-F55 HydrophobicContact CD2-CE2 4.39Å; L51-F55 WeakPolarHBondContact O-CB 3.36Å; L51-F55 WeakPolarHBondContact O-CD2 3.35Å; L51-F55 PolarHBondContact O-N 2.87Å; L51-I124 HydrophobicContact CD2-CB 4.44Å; L51-I124 HydrophobicContact CD2-CG1 4.4Å; L51-I124 HydrophobicContact CD2-CG2 4.04Å; L51-V127 HydrophobicContact CD1-CG1 4.17Å; L51-V127 HydrophobicContact CD2-CB 4.1Å; L51-V127 HydrophobicContact CD2-CG1 3.9Å; L51-V127 HydrophobicContact CG-CG1 3.84Å; L51-L128 HydrophobicContact CD1-CD2 3.6Å; L51-L128 HydrophobicContact CD1-CG 4.38Å; L51-L128 HydrophobicContact CD2-CD2 4.06Å; L51-L128 HydrophobicContact CD2-CG 3.94Å |
| 52 | L | 98.5 | Very high | 95.7 | Very high | 21 Ų | 21 | 52.7 Ų | 52.7 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.6 | -49.2 | 174.8 | 177.5 | 64.1 | 0 | 0 | 0 | 111.6 | L29 A32 A33 T36 W48 W49 I50 Y56 | L29-L52 HydrophobicContact CD1-CD1 4.17Å; A32-L52 HydrophobicContact CB-CD1 3.98Å; A33-L52 HydrophobicContact CB-CD1 3.92Å; T36-L52 HydrophobicContact CG2-CB 4.23Å; T36-L52 WeakPolarHBondContact OG1-CA 3.35Å; T36-L52 PolarHBondContact OG1-N 3.04Å; W48-L52 HydrophobicContact CH2-CD2 4.03Å; W48-L52 HydrophobicContact CZ3-CB 4.2Å; W48-L52 HydrophobicContact CZ3-CD2 3.73Å; W48-L52 PolarHBondContact O-N 3.46Å; W49-L52 HydrophobicContact CE3-CD2 3.7Å; W49-L52 HydrophobicContact CZ3-CD2 3.54Å; W49-L52 PolarHBondContact O-N 3.03Å; I50-L52 VanDerWaalsContact C-N 3.34Å; I50-L52 PolarHBondContact O-N 3.42Å; L52-Y56 WeakPolarHBondContact O-CB 3.49Å; L52-Y56 PolarHBondContact O-N 2.92Å |
| 53 | W | 98.6 | Very high | 96.7 | Very high | 20 Ų | 20 | 43.6 Ų | 43.6 | 8% | 0.076 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.7 | -53.5 | 175.7 | 172.9 | -107.6 | 0 | 0 | 0 | 111.1 | W49 I50 L51 F55 Y56 D57 E145 L182 W183 V186 P187 | W49-W53 PolarHBondContact O-N 2.88Å; I50-W53 PolarHBondContact O-N 3.13Å; L51-W53 PolarHBondContact O-N 2.9Å; W53-F55 VanDerWaalsContact C-N 3.34Å; W53-F55 PolarHBondContact O-N 3.5Å; W53-Y56 HydrophobicContact CE3-CD1 4.44Å; W53-Y56 HydrophobicContact CZ3-CD1 4.27Å; W53-Y56 CarbonylContact O-C 3.59Å; W53-Y56 WeakPolarHBondContact O-CA 3.42Å; W53-Y56 WeakPolarHBondContact O-CB 3.45Å; W53-Y56 PolarHBondContact O-N 3.36Å; W53-D57 VanDerWaalsContact O-CB 3.3Å; W53-D57 WeakPolarHBondContact O-CB 3.19Å; W53-D57 PolarHBondContact O-N 2.81Å; W53-E145 PolarHBondContact NE1-OE1 3.17Å; W53-L182 HydrophobicContact CH2-CB 4.36Å; W53-L182 HydrophobicContact CZ3-CB 4.24Å; W53-W183 AromaticContact CH2-CD2 3.61Å; W53-W183 HydrophobicContact CH2-CD2 3.61Å; W53-W183 AromaticContact CH2-CE2 3.67Å; W53-W183 AromaticContact CH2-CE3 3.95Å; W53-W183 HydrophobicContact CH2-CE3 3.95Å; W53-W183 AromaticContact CH2-CG 3.92Å; W53-W183 HydrophobicContact CH2-CG 3.92Å; W53-W183 HydrophobicContact CH2-CH2 4.41Å; W53-W183 HydrophobicContact CH2-CZ2 4.1Å; W53-W183 HydrophobicContact CH2-CZ3 4.34Å; W53-W183 AromaticContact CH2-NE1 3.96Å; W53-W183 AromaticContact CZ2-CD1 3.95Å; W53-W183 HydrophobicContact CZ2-CD2 4.21Å; W53-W183 HydrophobicContact CZ2-CG 4.15Å; W53-W183 AromaticContact CZ2-NE1 3.88Å; W53-V186 HydrophobicContact CB-CG1 4.02Å; W53-V186 HydrophobicContact CD2-CB 3.82Å; W53-V186 HydrophobicContact CD2-CG1 3.4Å; W53-V186 HydrophobicContact CD2-CG2 4.16Å; W53-V186 HydrophobicContact CE3-CB 3.99Å; W53-V186 HydrophobicContact CE3-CG1 3.94Å; W53-V186 HydrophobicContact CE3-CG2 3.82Å; W53-V186 HydrophobicContact CG-CB 4.36Å; W53-V186 HydrophobicContact CG-CG1 3.41Å; W53-V186 VanDerWaalsContact CG-CG1 3.41Å; W53-V186 HydrophobicContact CH2-CB 4.26Å; W53-V186 HydrophobicContact CH2-CG2 4.41Å; W53-V186 HydrophobicContact CZ2-CB 4.12Å; W53-V186 HydrophobicContact CZ2-CG1 4.42Å; W53-V186 HydrophobicContact CZ3-CB 4.2Å; W53-V186 HydrophobicContact CZ3-CG2 3.96Å; W53-P187 HydrophobicContact CZ2-CG 4.45Å |
| 54 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.6 | -36.3 | -174.3 | -64.1 | 169.1 | 0 | 0 | 0 | 113.1 | I50 L51 V58 A120 L123 I124 L141 | I50-L54 HydrophobicContact CG2-CD1 3.66Å; I50-L54 HydrophobicContact CG2-CG 4.26Å; I50-L54 WeakPolarHBondContact O-CG 3.47Å; I50-L54 PolarHBondContact O-N 3.45Å; L51-L54 PolarHBondContact O-N 3.35Å; L54-V58 VanDerWaalsContact O-CG2 3.3Å; L54-V58 WeakPolarHBondContact O-CG2 3.42Å; L54-V58 PolarHBondContact O-N 3.42Å; L54-V58 VanDerWaalsContact O-N 3.09Å; L54-A120 HydrophobicContact CD2-CB 4.29Å; L54-L123 HydrophobicContact CD1-CB 4.24Å; L54-L123 HydrophobicContact CD1-CD2 3.82Å; L54-L123 HydrophobicContact CD1-CG 3.62Å; L54-L123 HydrophobicContact CD2-CD2 3.69Å; L54-L123 HydrophobicContact CD2-CG 4.31Å; L54-L123 HydrophobicContact CG-CD2 4.4Å; L54-I124 HydrophobicContact CB-CD1 3.82Å; L54-I124 HydrophobicContact CB-CG1 3.49Å; L54-I124 VanDerWaalsContact CB-CG1 3.49Å; L54-I124 HydrophobicContact CD1-CG1 3.94Å; L54-I124 HydrophobicContact CG-CG1 4.35Å; L54-L141 HydrophobicContact CD2-CD2 3.53Å |
| 55 | F | 98.7 | Very high | 97.6 | Very high | 24 Ų | 24 | 41.2 Ų | 41.2 | 11% | 0.105 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.1 | -40.8 | 173 | -77.7 | -57.1 | 0 | 0 | 0 | 111.5 | A32 L35 T36 Y39 L51 W53 I59 I124 | A32-F55 HydrophobicContact CB-CB 3.92Å; L35-F55 HydrophobicContact CB-CB 4.5Å; L35-F55 HydrophobicContact CB-CD1 4.03Å; L35-F55 HydrophobicContact CB-CD2 3.93Å; L35-F55 HydrophobicContact CB-CE1 4.19Å; L35-F55 HydrophobicContact CB-CE2 4.1Å; L35-F55 HydrophobicContact CB-CG 3.91Å; L35-F55 HydrophobicContact CB-CZ 4.22Å; L35-F55 HydrophobicContact CD1-CB 4.41Å; L35-F55 HydrophobicContact CD1-CD1 3.88Å; L35-F55 HydrophobicContact CD1-CE1 4.41Å; L35-F55 HydrophobicContact CD1-CG 4.23Å; T36-F55 WeakPolarHBondContact OG1-CD2 3.4Å; Y39-F55 HydrophobicContact CD2-CZ 4.05Å; L51-F55 HydrophobicContact CB-CD2 4.37Å; L51-F55 HydrophobicContact CB-CE2 4.29Å; L51-F55 HydrophobicContact CD2-CE2 4.39Å; L51-F55 WeakPolarHBondContact O-CB 3.36Å; L51-F55 WeakPolarHBondContact O-CD2 3.35Å; L51-F55 PolarHBondContact O-N 2.87Å; W53-F55 VanDerWaalsContact C-N 3.34Å; W53-F55 PolarHBondContact O-N 3.5Å; F55-I59 WeakPolarHBondContact O-CB 3.29Å; F55-I59 VanDerWaalsContact O-CD1 3.31Å; F55-I59 WeakPolarHBondContact O-CD1 3.49Å; F55-I59 WeakPolarHBondContact O-CG1 3.34Å; F55-I59 PolarHBondContact O-N 3.47Å; F55-I59 VanDerWaalsContact O-N 3.09Å; F55-I124 HydrophobicContact CD1-CD1 3.79Å; F55-I124 HydrophobicContact CE1-CD1 3.91Å; F55-I124 HydrophobicContact CE1-CG2 4Å; F55-I124 HydrophobicContact CG-CD1 4.32Å; F55-I124 HydrophobicContact CZ-CG2 3.8Å |
| 56 | Y | 98.7 | Very high | 97.8 | Very high | 18 Ų | 18 | 33.2 Ų | 33.2 | 7% | 0.071 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.6 | -45.8 | 177.4 | -179.1 | -113.3 | 0 | 0 | 0 | 111.5 | Q28 L29 A32 L52 W53 I59 V60 W183 | Q28-Y56 HydrophobicContact CB-CD2 4.24Å; Q28-Y56 HydrophobicContact CB-CE2 3.87Å; L29-Y56 HydrophobicContact CB-CD2 4.09Å; L29-Y56 HydrophobicContact CB-CE2 4.01Å; L29-Y56 HydrophobicContact CD1-CD2 4.22Å; L29-Y56 HydrophobicContact CD1-CG 4.38Å; A32-Y56 HydrophobicContact CB-CD2 4.46Å; L52-Y56 WeakPolarHBondContact O-CB 3.49Å; L52-Y56 PolarHBondContact O-N 2.92Å; W53-Y56 HydrophobicContact CE3-CD1 4.44Å; W53-Y56 HydrophobicContact CZ3-CD1 4.27Å; W53-Y56 CarbonylContact O-C 3.59Å; W53-Y56 WeakPolarHBondContact O-CA 3.42Å; W53-Y56 WeakPolarHBondContact O-CB 3.45Å; W53-Y56 PolarHBondContact O-N 3.36Å; Y56-I59 WeakPolarHBondContact O-CB 3.48Å; Y56-I59 PolarHBondContact O-N 3.3Å; Y56-V60 HydrophobicContact CD1-CG2 4.42Å; Y56-V60 HydrophobicContact CD2-CG2 4.28Å; Y56-V60 HydrophobicContact CE1-CG2 4.03Å; Y56-V60 HydrophobicContact CE2-CG2 3.85Å; Y56-V60 WeakPolarHBondContact O-CG2 3.45Å; Y56-V60 PolarHBondContact O-N 3.39Å; Y56-W183 HydrophobicContact CD1-CH2 4.28Å; Y56-W183 AromaticContact CE1-CH2 3.66Å; Y56-W183 HydrophobicContact CE1-CH2 3.66Å; Y56-W183 HydrophobicContact CE1-CZ2 4.48Å; Y56-W183 HydrophobicContact CE1-CZ3 4.25Å |
| 57 | D | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55 | -55.3 | 176.8 | -177.3 | 70.4 | 0 | 0 | 0 | 111.8 | W53 I59 V60 H61 W183 | W53-D57 VanDerWaalsContact O-CB 3.3Å; W53-D57 WeakPolarHBondContact O-CB 3.19Å; W53-D57 PolarHBondContact O-N 2.81Å; D57-I59 VanDerWaalsContact C-N 3.29Å; D57-I59 PolarHBondContact O-N 2.94Å; D57-V60 PolarHBondContact O-N 3.34Å; D57-V60 VanDerWaalsContact O-N 3.1Å; D57-H61 PolarHBondContact O-N 3.13Å; D57-H61 IonicContact OD1-CE1 3.43Å; D57-H61 PolarHBondContact OD1-CE1 3.33Å; D57-H61 IonicContact OD1-ND1 3.29Å; D57-H61 IonicContact OD1-NE2 2.83Å; D57-H61 PolarHBondContact OD1-NE2 2.8Å; D57-H61 IonicContact OD2-CE1 3.35Å; D57-H61 PolarHBondContact OD2-CE1 3.32Å; D57-H61 IonicContact OD2-ND1 2.7Å; D57-H61 PolarHBondContact OD2-ND1 2.91Å; D57-W183 PolarHBondContact OD1-NE1 3.49Å |
| 58 | V | 98.6 | Very high | 98.1 | Very high | 13 Ų | 13 | 29.8 Ų | 29.8 | 8% | 0.079 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.5 | -40.2 | 176.1 | 172 | 0 | 0 | 0 | 0 | 112 | L54 L62 A120 L121 I124 | L54-V58 VanDerWaalsContact O-CG2 3.3Å; L54-V58 WeakPolarHBondContact O-CG2 3.42Å; L54-V58 PolarHBondContact O-N 3.42Å; L54-V58 VanDerWaalsContact O-N 3.09Å; V58-L62 HydrophobicContact CG1-CD1 3.75Å; V58-L62 HydrophobicContact CG1-CG 4.28Å; V58-L62 WeakPolarHBondContact O-CB 3.28Å; V58-L62 VanDerWaalsContact O-CG 3.25Å; V58-L62 WeakPolarHBondContact O-CG 3.38Å; V58-L62 PolarHBondContact O-N 2.99Å; V58-A120 HydrophobicContact CG2-CB 3.46Å; V58-A120 VanDerWaalsContact CG2-CB 3.46Å; V58-L121 HydrophobicContact CG1-CD2 4.09Å; V58-L121 HydrophobicContact CG1-CG 4.24Å; V58-L121 HydrophobicContact CG2-CD2 4.3Å; V58-L121 HydrophobicContact CG2-CG 4.11Å; V58-I124 HydrophobicContact CG2-CD1 4.34Å |
| 59 | I | 98.6 | Very high | 98.2 | Very high | 26 Ų | 26 | 26.8 Ų | 26.8 | 13% | 0.133 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.9 | -44.3 | 178.2 | -73.2 | 165.6 | 0 | 0 | 0 | 110.3 | Q28 V31 A32 L35 F55 Y56 D57 L62 T63 | Q28-I59 HydrophobicContact CB-CG2 3.73Å; Q28-I59 HydrophobicContact CG-CG2 3.62Å; V31-I59 HydrophobicContact CB-CD1 4.13Å; V31-I59 HydrophobicContact CG1-CD1 3.7Å; A32-I59 HydrophobicContact CB-CD1 4.15Å; L35-I59 HydrophobicContact CD1-CD1 4.05Å; F55-I59 WeakPolarHBondContact O-CB 3.29Å; F55-I59 VanDerWaalsContact O-CD1 3.31Å; F55-I59 WeakPolarHBondContact O-CD1 3.49Å; F55-I59 WeakPolarHBondContact O-CG1 3.34Å; F55-I59 PolarHBondContact O-N 3.47Å; F55-I59 VanDerWaalsContact O-N 3.09Å; Y56-I59 WeakPolarHBondContact O-CB 3.48Å; Y56-I59 PolarHBondContact O-N 3.3Å; D57-I59 VanDerWaalsContact C-N 3.29Å; D57-I59 PolarHBondContact O-N 2.94Å; I59-L62 PolarHBondContact O-N 2.94Å; I59-T63 HydrophobicContact CG2-CG2 4.46Å; I59-T63 VanDerWaalsContact O-CB 3.31Å; I59-T63 WeakPolarHBondContact O-CB 3.45Å; I59-T63 WeakPolarHBondContact O-CG2 3.1Å; I59-T63 PolarHBondContact O-N 3.2Å; I59-T63 PolarHBondContact O-OG1 2.98Å |
| 60 | V | 98.2 | Very high | 98.2 | Very high | 8 Ų | 8 | 25.9 Ų | 25.9 | 5% | 0.048 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64 | -51.6 | 179.9 | 166.8 | 0 | 0 | 0 | 0 | 110.7 | Y56 D57 L62 T63 L64 E65 W183 | Y56-V60 HydrophobicContact CD1-CG2 4.42Å; Y56-V60 HydrophobicContact CD2-CG2 4.28Å; Y56-V60 HydrophobicContact CE1-CG2 4.03Å; Y56-V60 HydrophobicContact CE2-CG2 3.85Å; Y56-V60 WeakPolarHBondContact O-CG2 3.45Å; Y56-V60 PolarHBondContact O-N 3.39Å; D57-V60 PolarHBondContact O-N 3.34Å; D57-V60 VanDerWaalsContact O-N 3.1Å; V60-L62 VanDerWaalsContact C-N 3.29Å; V60-L62 PolarHBondContact O-N 3.48Å; V60-T63 PolarHBondContact O-N 2.96Å; V60-L64 HydrophobicContact CG1-CD1 4.32Å; V60-L64 WeakPolarHBondContact O-CB 3.41Å; V60-L64 PolarHBondContact O-N 3.26Å; V60-E65 PolarHBondContact O-N 3.25Å; V60-W183 HydrophobicContact CB-CH2 4.21Å; V60-W183 HydrophobicContact CB-CZ2 4.02Å; V60-W183 HydrophobicContact CG1-CH2 3.89Å; V60-W183 HydrophobicContact CG1-CZ2 3.77Å; V60-W183 HydrophobicContact CG2-CH2 4.04Å; V60-W183 HydrophobicContact CG2-CZ2 4.3Å |
| 61 | H | 97.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.009 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -54.6 | -45.2 | 177.3 | -67.6 | 162.5 | 0 | 0 | 0 | 111.5 | D57 E65 G66 S117 W183 | D57-H61 PolarHBondContact O-N 3.13Å; D57-H61 IonicContact OD1-CE1 3.43Å; D57-H61 PolarHBondContact OD1-CE1 3.33Å; D57-H61 IonicContact OD1-ND1 3.29Å; D57-H61 IonicContact OD1-NE2 2.83Å; D57-H61 PolarHBondContact OD1-NE2 2.8Å; D57-H61 IonicContact OD2-CE1 3.35Å; D57-H61 PolarHBondContact OD2-CE1 3.32Å; D57-H61 IonicContact OD2-ND1 2.7Å; D57-H61 PolarHBondContact OD2-ND1 2.91Å; H61-E65 VanDerWaalsContact CD2-CD 3.46Å; H61-E65 IonicContact CD2-OE1 2.82Å; H61-E65 PolarHBondContact CD2-OE1 3.32Å; H61-E65 IonicContact CD2-OE2 2.69Å; H61-E65 PolarHBondContact CD2-OE2 3.04Å; H61-E65 IonicContact CG-OE2 3.55Å; H61-E65 IonicContact NE2-OE2 3.9Å; H61-G66 PolarHBondContact O-N 3.26Å; H61-S117 WeakPolarHBondContact CB-OG 3.3Å; H61-W183 AromaticContact NE2-NE1 3.79Å |
| 62 | L | 97.5 | Very high | 98.2 | Very high | 89 Ų | 89 | 26.8 Ų | 26.8 | 47% | 0.466 | 14% | 0.137 | S | C | . | . | I | π-helix | trans | -80.4 | -29.7 | -176.2 | -64 | -178.3 | 0 | 0 | 0 | 114.5 | V58 I59 V60 P67 | V58-L62 HydrophobicContact CG1-CD1 3.75Å; V58-L62 HydrophobicContact CG1-CG 4.28Å; V58-L62 WeakPolarHBondContact O-CB 3.28Å; V58-L62 VanDerWaalsContact O-CG 3.25Å; V58-L62 WeakPolarHBondContact O-CG 3.38Å; V58-L62 PolarHBondContact O-N 2.99Å; I59-L62 PolarHBondContact O-N 2.94Å; V60-L62 VanDerWaalsContact C-N 3.29Å; V60-L62 PolarHBondContact O-N 3.48Å; L62-P67 WeakPolarHBondContact O-CD 3.17Å |
| 63 | T | 97.6 | Very high | 98.1 | Very high | 61 Ų | 61 | 31.2 Ų | 31.2 | 37% | 0.374 | 16% | 0.16 | S | C | . | . | I | π-helix | trans | -106.8 | -15.6 | -171.6 | 65.6 | 0 | 0 | 0 | 0 | 114.8 | Q28 I59 V60 P67 | Q28-T63 PolarHBondContact NE2-OG1 3.36Å; I59-T63 HydrophobicContact CG2-CG2 4.46Å; I59-T63 VanDerWaalsContact O-CB 3.31Å; I59-T63 WeakPolarHBondContact O-CB 3.45Å; I59-T63 WeakPolarHBondContact O-CG2 3.1Å; I59-T63 PolarHBondContact O-N 3.2Å; I59-T63 PolarHBondContact O-OG1 2.98Å; V60-T63 PolarHBondContact O-N 2.96Å; T63-P67 WeakPolarHBondContact O-CG 3.43Å |
| 64 | L | 96.8 | Very high | 98 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 11% | 0.11 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -113.3 | -58.4 | 172.7 | -59.7 | -178.7 | 0 | 0 | 0 | 111.2 | V60 P67 F68 L84 L87 W88 | V60-L64 HydrophobicContact CG1-CD1 4.32Å; V60-L64 WeakPolarHBondContact O-CB 3.41Å; V60-L64 PolarHBondContact O-N 3.26Å; L64-P67 WeakPolarHBondContact O-CD 3.45Å; L64-F68 PolarHBondContact O-N 3.19Å; L64-F68 VanDerWaalsContact O-N 3.11Å; L64-L84 HydrophobicContact CD2-CD2 4.12Å; L64-L87 HydrophobicContact CD2-CD1 3.92Å; L64-L87 HydrophobicContact CD2-CD2 4.23Å; L64-W88 HydrophobicContact CB-CZ2 3.91Å; L64-W88 PolarHBondContact O-NE1 2.74Å |
| 65 | E | 97.8 | Very high | 97.9 | Very high | 21 Ų | 21 | 36.6 Ų | 36.6 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -71.8 | -39.7 | -173.5 | -59.8 | 179.5 | -165.9 | 0 | 0 | 111.9 | V60 H61 F68 V69 W88 E109 T112 V113 | V60-E65 PolarHBondContact O-N 3.25Å; H61-E65 VanDerWaalsContact CD2-CD 3.46Å; H61-E65 IonicContact CD2-OE1 2.82Å; H61-E65 PolarHBondContact CD2-OE1 3.32Å; H61-E65 IonicContact CD2-OE2 2.69Å; H61-E65 PolarHBondContact CD2-OE2 3.04Å; H61-E65 IonicContact CG-OE2 3.55Å; H61-E65 IonicContact NE2-OE2 3.9Å; E65-F68 CarbonylContact O-C 3.47Å; E65-F68 WeakPolarHBondContact O-CA 3.42Å; E65-F68 VanDerWaalsContact O-CB 3.31Å; E65-F68 WeakPolarHBondContact O-CB 3.35Å; E65-F68 PolarHBondContact O-N 3.2Å; E65-V69 WeakPolarHBondContact O-CG2 3.43Å; E65-V69 PolarHBondContact O-N 2.86Å; E65-W88 HydrophobicContact CG-CZ2 4.42Å; E65-E109 VanDerWaalsContact CB-OE2 3.27Å; E65-E109 WeakPolarHBondContact CB-OE2 3.4Å; E65-E109 WeakPolarHBondContact CG-OE2 3.44Å; E65-E109 VanDerWaalsContact OE2-OE2 3.11Å; E65-T112 VanDerWaalsContact OE2-CB 3.24Å; E65-T112 WeakPolarHBondContact OE2-CB 3.19Å; E65-T112 PolarHBondContact OE2-OG1 2.95Å; E65-V113 VanDerWaalsContact C-CG2 3.48Å; E65-V113 HydrophobicContact CB-CG2 3.53Å |
| 66 | G | 97.9 | Very high | 97.8 | Very high | 16 Ų | 16 | 37.1 Ų | 37.1 | 17% | 0.165 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.1 | -50.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | H61 V69 Y70 V113 | H61-G66 PolarHBondContact O-N 3.26Å; G66-V69 PolarHBondContact O-N 3.06Å; G66-Y70 PolarHBondContact O-N 3.31Å; G66-V113 VanDerWaalsContact N-CG2 3.33Å |
| 67 | P | 97.9 | Very high | 97.8 | Very high | 29 Ų | 29 | 36.3 Ų | 36.3 | 19% | 0.188 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59 | -39.9 | 170.4 | -30.3 | 38.7 | 0 | 0 | 0 | 114.1 | L62 T63 L64 Y70 M71 L84 | L62-P67 WeakPolarHBondContact O-CD 3.17Å; T63-P67 WeakPolarHBondContact O-CG 3.43Å; L64-P67 WeakPolarHBondContact O-CD 3.45Å; P67-Y70 PolarHBondContact O-N 3.46Å; P67-M71 HydrophobicContact CB-CE 4.47Å; P67-M71 WeakPolarHBondContact O-CB 3.37Å; P67-M71 WeakPolarHBondContact O-CE 3.46Å; P67-M71 VanDerWaalsContact O-CG 3.3Å; P67-M71 WeakPolarHBondContact O-CG 3.34Å; P67-M71 PolarHBondContact O-N 3.34Å; P67-L84 HydrophobicContact CB-CB 4.43Å; P67-L84 HydrophobicContact CB-CD1 3.73Å; P67-L84 HydrophobicContact CG-CD1 3.66Å |
| 68 | F | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.7 | -49.7 | 173.4 | 163.2 | -98 | 0 | 0 | 0 | 111.9 | L64 E65 Y70 M71 S72 V77 W88 W98 I105 V106 E109 | L64-F68 PolarHBondContact O-N 3.19Å; L64-F68 VanDerWaalsContact O-N 3.11Å; E65-F68 CarbonylContact O-C 3.47Å; E65-F68 WeakPolarHBondContact O-CA 3.42Å; E65-F68 VanDerWaalsContact O-CB 3.31Å; E65-F68 WeakPolarHBondContact O-CB 3.35Å; E65-F68 PolarHBondContact O-N 3.2Å; F68-Y70 VanDerWaalsContact C-N 3.34Å; F68-Y70 PolarHBondContact O-N 3.31Å; F68-M71 PolarHBondContact O-N 3.44Å; F68-S72 WeakPolarHBondContact CE2-OG 3.32Å; F68-S72 WeakPolarHBondContact CZ-OG 3.43Å; F68-S72 VanDerWaalsContact O-CB 3.29Å; F68-S72 WeakPolarHBondContact O-CB 3.24Å; F68-S72 PolarHBondContact O-N 3.39Å; F68-S72 PolarHBondContact O-OG 2.78Å; F68-V77 HydrophobicContact CD2-CG2 3.7Å; F68-V77 HydrophobicContact CE2-CG2 4.04Å; F68-W88 HydrophobicContact CB-CD2 4.18Å; F68-W88 HydrophobicContact CB-CG 4.39Å; F68-W88 HydrophobicContact CB-CZ2 3.92Å; F68-W88 HydrophobicContact CD2-CD2 4.34Å; F68-W98 HydrophobicContact CD1-CE3 4.21Å; F68-W98 HydrophobicContact CD1-CZ3 4.03Å; F68-W98 AromaticContact CD2-CE3 3.81Å; F68-W98 HydrophobicContact CD2-CE3 3.81Å; F68-W98 HydrophobicContact CD2-CZ3 4.38Å; F68-W98 HydrophobicContact CE1-CE3 4.09Å; F68-W98 HydrophobicContact CE1-CZ3 4.1Å; F68-W98 HydrophobicContact CE2-CB 4.3Å; F68-W98 HydrophobicContact CE2-CD2 4.42Å; F68-W98 AromaticContact CE2-CE3 3.68Å; F68-W98 HydrophobicContact CE2-CE3 3.68Å; F68-W98 HydrophobicContact CE2-CZ3 4.44Å; F68-W98 WeakPolarHBondContact CE2-O 3.29Å; F68-W98 HydrophobicContact CG-CE3 4.09Å; F68-W98 HydrophobicContact CG-CZ3 4.2Å; F68-W98 AromaticContact CZ-CE3 3.82Å; F68-W98 HydrophobicContact CZ-CE3 3.82Å; F68-W98 HydrophobicContact CZ-CZ3 4.3Å; F68-I105 HydrophobicContact CE1-CG2 3.99Å; F68-I105 HydrophobicContact CZ-CG2 3.79Å; F68-V106 HydrophobicContact CE1-CG2 4.19Å; F68-V106 HydrophobicContact CZ-CG2 3.97Å; F68-E109 HydrophobicContact CD1-CB 3.92Å; F68-E109 HydrophobicContact CD1-CG 3.85Å; F68-E109 HydrophobicContact CE1-CB 3.86Å; F68-E109 HydrophobicContact CE1-CG 3.6Å |
| 69 | V | 98.4 | Very high | 97.6 | Very high | 14 Ų | 14 | 46.3 Ų | 46.3 | 9% | 0.085 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59 | -47.2 | 177.2 | 169.5 | 0 | 0 | 0 | 0 | 110.2 | E65 G66 M71 S72 L73 E109 I110 V113 | E65-V69 WeakPolarHBondContact O-CG2 3.43Å; E65-V69 PolarHBondContact O-N 2.86Å; G66-V69 PolarHBondContact O-N 3.06Å; V69-M71 PolarHBondContact O-N 3.29Å; V69-S72 PolarHBondContact O-N 2.95Å; V69-L73 HydrophobicContact CG1-CD1 3.7Å; V69-L73 HydrophobicContact CG1-CG 4.23Å; V69-L73 WeakPolarHBondContact O-CB 3.34Å; V69-L73 VanDerWaalsContact O-CG 3.26Å; V69-L73 WeakPolarHBondContact O-CG 3.32Å; V69-L73 PolarHBondContact O-N 3.39Å; V69-E109 HydrophobicContact CG2-CB 3.53Å; V69-I110 HydrophobicContact CG1-CG1 3.63Å; V69-I110 HydrophobicContact CG2-CG1 4.34Å; V69-V113 HydrophobicContact CG2-CG2 3.99Å |
| 70 | Y | 98.2 | Very high | 97.6 | Very high | 152 Ų | 152 | 46.2 Ų | 46.2 | 60% | 0.596 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -57.3 | -53 | 177.6 | 173.9 | -97.6 | 0 | 0 | 0 | 111.6 | G66 P67 F68 S72 L73 V74 | G66-Y70 PolarHBondContact O-N 3.31Å; P67-Y70 PolarHBondContact O-N 3.46Å; F68-Y70 VanDerWaalsContact C-N 3.34Å; F68-Y70 PolarHBondContact O-N 3.31Å; Y70-S72 VanDerWaalsContact C-N 3.25Å; Y70-S72 PolarHBondContact O-N 3.12Å; Y70-L73 PolarHBondContact O-N 3.31Å; Y70-V74 HydrophobicContact CD1-CG2 4.43Å; Y70-V74 HydrophobicContact CD2-CG1 4.36Å; Y70-V74 HydrophobicContact CE1-CG2 4.04Å; Y70-V74 HydrophobicContact CE2-CG1 3.96Å; Y70-V74 WeakPolarHBondContact O-CG2 3.06Å; Y70-V74 PolarHBondContact O-N 3.35Å; Y70-V74 VanDerWaalsContact O-N 3.13Å |
| 71 | M | 98.2 | Very high | 97.5 | Very high | 17 Ų | 17 | 54.5 Ų | 54.5 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.1 | -38.3 | 179.1 | -71.7 | -177.2 | -68.2 | 0 | 0 | 111.8 | P67 F68 V69 G75 T76 V77 S80 A85 | P67-M71 HydrophobicContact CB-CE 4.47Å; P67-M71 WeakPolarHBondContact O-CB 3.37Å; P67-M71 WeakPolarHBondContact O-CE 3.46Å; P67-M71 VanDerWaalsContact O-CG 3.3Å; P67-M71 WeakPolarHBondContact O-CG 3.34Å; P67-M71 PolarHBondContact O-N 3.34Å; F68-M71 PolarHBondContact O-N 3.44Å; V69-M71 PolarHBondContact O-N 3.29Å; M71-G75 CarbonylContact O-C 3.06Å; M71-G75 WeakPolarHBondContact O-CA 3.23Å; M71-G75 PolarHBondContact O-N 2.83Å; M71-T76 PolarHBondContact O-N 2.93Å; M71-V77 HydrophobicContact CB-CG2 4.33Å; M71-V77 HydrophobicContact CE-CG2 4.2Å; M71-S80 VanDerWaalsContact SD-CB 3.57Å; M71-A85 HydrophobicContact SD-CB 3.72Å |
| 72 | S | 97.8 | Very high | 97.4 | Very high | 11 Ų | 11 | 56 Ų | 56 | 8% | 0.077 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -74.1 | -26.9 | -179.1 | -58.6 | 0 | 0 | 0 | 0 | 113.8 | F68 V69 Y70 G75 S101 | F68-S72 WeakPolarHBondContact CE2-OG 3.32Å; F68-S72 WeakPolarHBondContact CZ-OG 3.43Å; F68-S72 VanDerWaalsContact O-CB 3.29Å; F68-S72 WeakPolarHBondContact O-CB 3.24Å; F68-S72 PolarHBondContact O-N 3.39Å; F68-S72 PolarHBondContact O-OG 2.78Å; V69-S72 PolarHBondContact O-N 2.95Å; Y70-S72 VanDerWaalsContact C-N 3.25Å; Y70-S72 PolarHBondContact O-N 3.12Å; S72-G75 CarbonylContact C-O 3.6Å; S72-S101 VanDerWaalsContact CA-OG 3.3Å; S72-S101 WeakPolarHBondContact CA-OG 3.37Å; S72-S101 WeakPolarHBondContact CB-OG 3.12Å; S72-S101 PolarHBondContact O-OG 2.69Å |
| 73 | L | 97.3 | Very high | 97.3 | Very high | 113 Ų | 113 | 57.5 Ų | 57.5 | 59% | 0.592 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -84.2 | -28.5 | 177.9 | -72 | 177.2 | 0 | 0 | 0 | 113.1 | V69 Y70 V106 I110 | V69-L73 HydrophobicContact CG1-CD1 3.7Å; V69-L73 HydrophobicContact CG1-CG 4.23Å; V69-L73 WeakPolarHBondContact O-CB 3.34Å; V69-L73 VanDerWaalsContact O-CG 3.26Å; V69-L73 WeakPolarHBondContact O-CG 3.32Å; V69-L73 PolarHBondContact O-N 3.39Å; Y70-L73 PolarHBondContact O-N 3.31Å; L73-V106 HydrophobicContact CD2-CG1 4.31Å; L73-I110 HydrophobicContact CD2-CD1 4.29Å |
| 74 | V | 96.8 | Very high | 97.2 | Very high | 97 Ų | 97 | 57.9 Ų | 57.9 | 59% | 0.588 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -100.1 | -3.2 | 178.7 | -52.1 | 0 | 0 | 0 | 0 | 113.2 | Y70 | Y70-V74 HydrophobicContact CD1-CG2 4.43Å; Y70-V74 HydrophobicContact CD2-CG1 4.36Å; Y70-V74 HydrophobicContact CE1-CG2 4.04Å; Y70-V74 HydrophobicContact CE2-CG1 3.96Å; Y70-V74 WeakPolarHBondContact O-CG2 3.06Å; Y70-V74 PolarHBondContact O-N 3.35Å; Y70-V74 VanDerWaalsContact O-N 3.13Å |
| 75 | G | 96.1 | Very high | 97.2 | Very high | 36 Ų | 36 | 57 Ų | 57 | 37% | 0.371 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 172.2 | -130.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111.5 | M71 S72 S101 | M71-G75 CarbonylContact O-C 3.06Å; M71-G75 WeakPolarHBondContact O-CA 3.23Å; M71-G75 PolarHBondContact O-N 2.83Å; S72-G75 CarbonylContact C-O 3.6Å; G75-S101 PolarHBondContact O-OG 2.83Å |
| 76 | T | 97.5 | Very high | 97.2 | Very high | 36 Ų | 36 | 59.8 Ų | 59.8 | 22% | 0.221 | 34% | 0.336 | C | S | . | . | trans | -137.7 | 157.2 | 174.8 | 67.2 | 0 | 0 | 0 | 0 | 110.1 | M71 E78 T79 S80 L99 | M71-T76 PolarHBondContact O-N 2.93Å; T76-E78 VanDerWaalsContact C-N 3.27Å; T76-E78 PolarHBondContact O-N 3.4Å; T76-T79 PolarHBondContact O-N 3.3Å; T76-T79 PolarHBondContact O-OG1 3.46Å; T76-T79 PolarHBondContact OG1-N 3.16Å; T76-T79 PolarHBondContact OG1-OG1 2.92Å; T76-S80 WeakPolarHBondContact O-CB 3.12Å; T76-S80 PolarHBondContact O-N 3.36Å; T76-S80 PolarHBondContact O-OG 2.87Å; T76-L99 WeakPolarHBondContact CB-O 3.43Å | ||
| 77 | V | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -38.9 | 171.9 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | F68 M71 T79 S80 W88 K89 W98 L99 | F68-V77 HydrophobicContact CD2-CG2 3.7Å; F68-V77 HydrophobicContact CE2-CG2 4.04Å; M71-V77 HydrophobicContact CB-CG2 4.33Å; M71-V77 HydrophobicContact CE-CG2 4.2Å; V77-T79 VanDerWaalsContact C-N 3.27Å; V77-T79 PolarHBondContact O-N 3.39Å; V77-S80 PolarHBondContact O-N 3.09Å; V77-W88 HydrophobicContact CG1-CB 3.55Å; V77-W88 HydrophobicContact CG2-CB 4.27Å; V77-K89 HydrophobicContact CG1-CG 3.98Å; V77-K89 WeakPolarHBondContact O-CE 3.47Å; V77-W98 WeakPolarHBondContact CB-O 3.27Å; V77-W98 WeakPolarHBondContact CG2-O 3.31Å; V77-L99 HydrophobicContact CG1-CD2 4.26Å; V77-L99 PolarHBondContact N-O 2.86Å |
| 78 | E | 97.3 | Very high | 97.1 | Very high | 120 Ų | 120 | 59.7 Ų | 59.7 | 56% | 0.561 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -43.7 | -179.4 | -174.3 | 173.7 | -140.4 | 0 | 0 | 112.4 | T76 K89 L99 | T76-E78 VanDerWaalsContact C-N 3.27Å; T76-E78 PolarHBondContact O-N 3.4Å; E78-K89 VanDerWaalsContact O-CE 3.26Å; E78-K89 WeakPolarHBondContact O-CE 3.42Å; E78-L99 HydrophobicContact CB-CB 4.37Å; E78-L99 PolarHBondContact N-O 3.26Å; E78-L99 VanDerWaalsContact N-O 3.16Å |
| 79 | T | 96.6 | Very high | 97.1 | Very high | 104 Ų | 104 | 62 Ų | 62 | 64% | 0.638 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -7 | -179.8 | 58.9 | 0 | 0 | 0 | 0 | 114.5 | T76 V77 | T76-T79 PolarHBondContact O-N 3.3Å; T76-T79 PolarHBondContact O-OG1 3.46Å; T76-T79 PolarHBondContact OG1-N 3.16Å; T76-T79 PolarHBondContact OG1-OG1 2.92Å; V77-T79 VanDerWaalsContact C-N 3.27Å; V77-T79 PolarHBondContact O-N 3.39Å |
| 80 | S | 97.3 | Very high | 97 | Very high | 23 Ų | 23 | 61.6 Ų | 61.6 | 16% | 0.161 | 34% | 0.336 | C | S | . | . | trans | -81.4 | 152.8 | -177.7 | -67.2 | 0 | 0 | 0 | 0 | 111.4 | M71 T76 V77 K89 | M71-S80 VanDerWaalsContact SD-CB 3.57Å; T76-S80 WeakPolarHBondContact O-CB 3.12Å; T76-S80 PolarHBondContact O-N 3.36Å; T76-S80 PolarHBondContact O-OG 2.87Å; V77-S80 PolarHBondContact O-N 3.09Å; S80-K89 WeakPolarHBondContact O-CE 3.44Å; S80-K89 PolarHBondContact O-NZ 3.36Å | ||
| 81 | E | 96.4 | Very high | 96.9 | Very high | 182 Ų | 182 | 55.7 Ų | 55.7 | 85% | 0.85 | 31% | 0.313 | S | S | * | . | trans | -119.5 | 156.5 | 179.3 | -64.7 | -173.5 | 173.4 | 0 | 0 | 111.5 | ||||
| 82 | G | 95.5 | Very high | 96.9 | Very high | 33 Ų | 33 | 55 Ų | 55 | 34% | 0.34 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 109.4 | 172.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L84 A85 E86 | G82-L84 VanDerWaalsContact C-N 3.33Å; G82-L84 PolarHBondContact O-N 3.07Å; G82-A85 WeakPolarHBondContact O-CB 3.21Å; G82-A85 PolarHBondContact O-N 3.44Å; G82-A85 VanDerWaalsContact O-N 3.11Å; G82-E86 WeakPolarHBondContact O-CG 3.36Å; G82-E86 PolarHBondContact O-N 2.96Å |
| 83 | P | 94.9 | Very high | 96.8 | Very high | 121 Ų | 121 | 59 Ų | 59 | 79% | 0.786 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -58.9 | -39 | -167.2 | -26.6 | 35 | 0 | 0 | 0 | 114.6 | L87 | P83-L87 WeakPolarHBondContact O-CB 3.49Å; P83-L87 PolarHBondContact O-N 3.35Å |
| 84 | L | 95.6 | Very high | 96.8 | Very high | 70 Ų | 70 | 53.6 Ų | 53.6 | 37% | 0.366 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -75.9 | -33.8 | 179.5 | -64.5 | 173.4 | 0 | 0 | 0 | 112.3 | L64 P67 G82 L87 W88 | L64-L84 HydrophobicContact CD2-CD2 4.12Å; P67-L84 HydrophobicContact CB-CB 4.43Å; P67-L84 HydrophobicContact CB-CD1 3.73Å; P67-L84 HydrophobicContact CG-CD1 3.66Å; G82-L84 VanDerWaalsContact C-N 3.33Å; G82-L84 PolarHBondContact O-N 3.07Å; L84-L87 PolarHBondContact O-N 2.62Å; L84-W88 PolarHBondContact O-N 3.42Å |
| 85 | A | 97.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 49 Ų | 49 | 2% | 0.017 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | M71 G82 L87 W88 K89 | M71-A85 HydrophobicContact SD-CB 3.72Å; G82-A85 WeakPolarHBondContact O-CB 3.21Å; G82-A85 PolarHBondContact O-N 3.44Å; G82-A85 VanDerWaalsContact O-N 3.11Å; A85-L87 VanDerWaalsContact C-N 3.35Å; A85-L87 PolarHBondContact O-N 2.88Å; A85-W88 PolarHBondContact O-N 3.31Å; A85-K89 WeakPolarHBondContact O-CB 3.32Å; A85-K89 VanDerWaalsContact O-CG 3.27Å; A85-K89 WeakPolarHBondContact O-CG 3.31Å; A85-K89 PolarHBondContact O-N 3.45Å |
| 86 | E | 97.6 | Very high | 96.9 | Very high | 79 Ų | 79 | 49.4 Ų | 49.4 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 176.8 | -65.7 | -54.9 | 125.4 | 0 | 0 | 112.5 | V17 G82 K89 E90 | V17-E86 HydrophobicContact CG1-CB 4.29Å; V17-E86 WeakPolarHBondContact CG1-O 3.21Å; G82-E86 WeakPolarHBondContact O-CG 3.36Å; G82-E86 PolarHBondContact O-N 2.96Å; E86-K89 PolarHBondContact O-N 3.41Å; E86-K89 IonicContact OE1-NZ 3.83Å; E86-K89 PolarHBondContact OE1-NZ 3.17Å; E86-E90 WeakPolarHBondContact O-CB 3.24Å; E86-E90 PolarHBondContact O-N 3.2Å |
| 87 | L | 96.7 | Very high | 96.9 | Very high | 27 Ų | 27 | 48.1 Ų | 48.1 | 14% | 0.141 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 172.7 | -179 | 154.4 | 0 | 0 | 0 | 111.4 | S21 L64 P83 L84 A85 K89 E90 Y91 | S21-L87 WeakPolarHBondContact OG-CG 3.26Å; L64-L87 HydrophobicContact CD2-CD1 3.92Å; L64-L87 HydrophobicContact CD2-CD2 4.23Å; P83-L87 WeakPolarHBondContact O-CB 3.49Å; P83-L87 PolarHBondContact O-N 3.35Å; L84-L87 PolarHBondContact O-N 2.62Å; A85-L87 VanDerWaalsContact C-N 3.35Å; A85-L87 PolarHBondContact O-N 2.88Å; L87-K89 VanDerWaalsContact C-N 3.33Å; L87-K89 PolarHBondContact O-N 3.13Å; L87-E90 WeakPolarHBondContact O-CB 3.44Å; L87-E90 PolarHBondContact O-N 3.05Å; L87-Y91 PolarHBondContact O-N 2.88Å |
| 88 | W | 97.7 | Very high | 96.9 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.5 | -29.5 | 178.4 | -76.8 | 116.4 | 0 | 0 | 0 | 112.9 | L64 E65 F68 V77 L84 A85 E90 Y91 G92 W98 | L64-W88 HydrophobicContact CB-CZ2 3.91Å; L64-W88 PolarHBondContact O-NE1 2.74Å; E65-W88 HydrophobicContact CG-CZ2 4.42Å; F68-W88 HydrophobicContact CB-CD2 4.18Å; F68-W88 HydrophobicContact CB-CG 4.39Å; F68-W88 HydrophobicContact CB-CZ2 3.92Å; F68-W88 HydrophobicContact CD2-CD2 4.34Å; V77-W88 HydrophobicContact CG1-CB 3.55Å; V77-W88 HydrophobicContact CG2-CB 4.27Å; L84-W88 PolarHBondContact O-N 3.42Å; A85-W88 PolarHBondContact O-N 3.31Å; W88-E90 VanDerWaalsContact C-N 3.33Å; W88-Y91 HydrophobicContact CE3-CD1 4.01Å; W88-Y91 HydrophobicContact CE3-CG 4.26Å; W88-Y91 AromaticContact CZ3-CD1 3.77Å; W88-Y91 HydrophobicContact CZ3-CD1 3.77Å; W88-Y91 HydrophobicContact CZ3-CE1 4.29Å; W88-Y91 HydrophobicContact CZ3-CG 4.15Å; W88-Y91 PolarHBondContact O-N 2.97Å; W88-G92 PolarHBondContact O-N 3.45Å; W88-W98 HydrophobicContact CD2-CE3 4.4Å; W88-W98 HydrophobicContact CE3-CD2 4.21Å; W88-W98 AromaticContact CE3-CE3 3.54Å; W88-W98 HydrophobicContact CE3-CE3 3.54Å; W88-W98 HydrophobicContact CE3-CZ3 4.06Å; W88-W98 AromaticContact CH2-CE3 3.61Å; W88-W98 HydrophobicContact CH2-CE3 3.61Å; W88-W98 AromaticContact CH2-CH2 3.89Å; W88-W98 HydrophobicContact CH2-CH2 3.89Å; W88-W98 AromaticContact CH2-CZ3 3.18Å; W88-W98 HydrophobicContact CH2-CZ3 3.18Å; W88-W98 HydrophobicContact CZ2-CE3 4.43Å; W88-W98 HydrophobicContact CZ2-CZ3 4.05Å; W88-W98 AromaticContact CZ3-CD2 3.8Å; W88-W98 HydrophobicContact CZ3-CD2 3.8Å; W88-W98 AromaticContact CZ3-CE3 3.09Å; W88-W98 HydrophobicContact CZ3-CE3 3.09Å; W88-W98 AromaticContact CZ3-CH2 3.96Å; W88-W98 HydrophobicContact CZ3-CH2 3.96Å; W88-W98 AromaticContact CZ3-CZ3 3.21Å; W88-W98 HydrophobicContact CZ3-CZ3 3.21Å |
| 89 | K | 97.9 | Very high | 96.9 | Very high | 48 Ų | 48 | 44.4 Ų | 44.4 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.4 | -38.8 | 169.3 | -72.9 | 173.7 | -166.5 | 171.5 | 0 | 112.2 | V77 E78 S80 A85 E86 L87 G92 K93 L99 | V77-K89 HydrophobicContact CG1-CG 3.98Å; V77-K89 WeakPolarHBondContact O-CE 3.47Å; E78-K89 VanDerWaalsContact O-CE 3.26Å; E78-K89 WeakPolarHBondContact O-CE 3.42Å; S80-K89 WeakPolarHBondContact O-CE 3.44Å; S80-K89 PolarHBondContact O-NZ 3.36Å; A85-K89 WeakPolarHBondContact O-CB 3.32Å; A85-K89 VanDerWaalsContact O-CG 3.27Å; A85-K89 WeakPolarHBondContact O-CG 3.31Å; A85-K89 PolarHBondContact O-N 3.45Å; E86-K89 PolarHBondContact O-N 3.41Å; E86-K89 IonicContact OE1-NZ 3.83Å; E86-K89 PolarHBondContact OE1-NZ 3.17Å; L87-K89 VanDerWaalsContact C-N 3.33Å; L87-K89 PolarHBondContact O-N 3.13Å; K89-G92 PolarHBondContact O-N 2.99Å; K89-K93 PolarHBondContact O-N 2.79Å; K89-L99 HydrophobicContact CB-CD2 4.3Å; K89-L99 HydrophobicContact CG-CD2 4.14Å |
| 90 | E | 96.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.028 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.1 | -45.6 | 174.5 | -177.2 | 66.3 | -144.9 | 0 | 0 | 111.2 | S15 V17 S18 E86 L87 W88 G92 K93 Y175 | S15-E90 PolarHBondContact OG-OE2 3.39Å; V17-E90 HydrophobicContact CB-CB 4.34Å; V17-E90 HydrophobicContact CB-CG 4.41Å; V17-E90 HydrophobicContact CG1-CB 3.68Å; V17-E90 HydrophobicContact CG1-CG 4.16Å; S18-E90 VanDerWaalsContact OG-CD 3.28Å; S18-E90 PolarHBondContact OG-OE1 3.21Å; E86-E90 WeakPolarHBondContact O-CB 3.24Å; E86-E90 PolarHBondContact O-N 3.2Å; L87-E90 WeakPolarHBondContact O-CB 3.44Å; L87-E90 PolarHBondContact O-N 3.05Å; W88-E90 VanDerWaalsContact C-N 3.33Å; E90-G92 VanDerWaalsContact C-N 3.29Å; E90-G92 PolarHBondContact O-N 2.77Å; E90-K93 WeakPolarHBondContact O-CB 3.28Å; E90-K93 PolarHBondContact O-N 3.34Å; E90-K93 IonicContact OE1-NZ 3.04Å; E90-K93 IonicContact OE2-NZ 3.85Å; E90-K93 PolarHBondContact OE2-NZ 3.06Å; E90-Y175 HydrophobicContact CG-CE2 4.1Å; E90-Y175 WeakPolarHBondContact CG-OH 3.44Å; E90-Y175 PolarHBondContact OE1-OH 3.48Å |
| 91 | Y | 96.9 | Very high | 96.7 | Very high | 28 Ų | 28 | 43.3 Ų | 43.3 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -36.2 | 174.2 | -172.1 | -99.1 | 0 | 0 | 0 | 112.1 | L87 W88 K93 A94 D95 W98 Y175 N180 | L87-Y91 PolarHBondContact O-N 2.88Å; W88-Y91 HydrophobicContact CE3-CD1 4.01Å; W88-Y91 HydrophobicContact CE3-CG 4.26Å; W88-Y91 AromaticContact CZ3-CD1 3.77Å; W88-Y91 HydrophobicContact CZ3-CD1 3.77Å; W88-Y91 HydrophobicContact CZ3-CE1 4.29Å; W88-Y91 HydrophobicContact CZ3-CG 4.15Å; W88-Y91 PolarHBondContact O-N 2.97Å; Y91-K93 PolarHBondContact O-N 2.97Å; Y91-K93 VanDerWaalsContact O-N 3.08Å; Y91-A94 WeakPolarHBondContact O-CA 3.24Å; Y91-A94 WeakPolarHBondContact O-CB 3.15Å; Y91-A94 PolarHBondContact O-N 3.44Å; Y91-D95 HydrophobicContact CE1-CB 4.38Å; Y91-D95 PolarHBondContact O-N 2.81Å; Y91-W98 HydrophobicContact CD1-CB 4.36Å; Y91-W98 HydrophobicContact CD1-CD2 4.02Å; Y91-W98 AromaticContact CD1-CG 3.87Å; Y91-W98 HydrophobicContact CD1-CG 3.87Å; Y91-W98 AromaticContact CE1-CD1 3.7Å; Y91-W98 AromaticContact CE1-CD2 3.89Å; Y91-W98 HydrophobicContact CE1-CD2 3.89Å; Y91-W98 AromaticContact CE1-CE2 3.59Å; Y91-W98 AromaticContact CE1-CG 3.93Å; Y91-W98 HydrophobicContact CE1-CG 3.93Å; Y91-W98 HydrophobicContact CE1-CZ2 4.14Å; Y91-W98 AromaticContact CE1-NE1 3.52Å; Y91-Y175 HydrophobicContact CD2-CD2 4.45Å; Y91-Y175 HydrophobicContact CD2-CG 4.35Å; Y91-N180 PolarHBondContact OH-ND2 3Å |
| 92 | G | 96.9 | Very high | 96.8 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -13.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | W88 K89 E90 A94 D95 S96 | W88-G92 PolarHBondContact O-N 3.45Å; K89-G92 PolarHBondContact O-N 2.99Å; E90-G92 VanDerWaalsContact C-N 3.29Å; E90-G92 PolarHBondContact O-N 2.77Å; G92-A94 VanDerWaalsContact C-N 3.29Å; G92-D95 WeakPolarHBondContact CA-O 3.31Å; G92-D95 CarbonylContact O-C 3.56Å; G92-S96 WeakPolarHBondContact O-CA 3.37Å; G92-S96 PolarHBondContact O-N 3.22Å |
| 93 | K | 96.2 | Very high | 96.8 | Very high | 94 Ų | 94 | 39.1 Ų | 39.1 | 41% | 0.409 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -30 | 167.9 | -62.1 | 173.7 | -178.4 | 170.3 | 0 | 112.2 | K89 E90 Y91 D165 Y171 | K89-K93 PolarHBondContact O-N 2.79Å; E90-K93 WeakPolarHBondContact O-CB 3.28Å; E90-K93 PolarHBondContact O-N 3.34Å; E90-K93 IonicContact OE1-NZ 3.04Å; E90-K93 IonicContact OE2-NZ 3.85Å; E90-K93 PolarHBondContact OE2-NZ 3.06Å; Y91-K93 PolarHBondContact O-N 2.97Å; Y91-K93 VanDerWaalsContact O-N 3.08Å; K93-D165 WeakPolarHBondContact O-CB 3.43Å; K93-Y171 HydrophobicContact CB-CD2 4.5Å; K93-Y171 HydrophobicContact CB-CE1 4.2Å; K93-Y171 HydrophobicContact CB-CE2 3.88Å; K93-Y171 WeakPolarHBondContact CD-OH 3.46Å |
| 94 | A | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -34.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y91 G92 L164 D165 Y171 Y175 L176 | Y91-A94 WeakPolarHBondContact O-CA 3.24Å; Y91-A94 WeakPolarHBondContact O-CB 3.15Å; Y91-A94 PolarHBondContact O-N 3.44Å; G92-A94 VanDerWaalsContact C-N 3.29Å; A94-L164 CarbonylContact O-C 3.37Å; A94-L164 WeakPolarHBondContact O-CA 3.26Å; A94-D165 PolarHBondContact O-N 3.46Å; A94-Y171 HydrophobicContact CB-CD1 4.49Å; A94-Y171 HydrophobicContact CB-CG 4.03Å; A94-Y175 HydrophobicContact CB-CD2 4.01Å; A94-L176 HydrophobicContact CB-CD1 4.47Å; A94-L176 HydrophobicContact CB-CD2 4.27Å; A94-L176 HydrophobicContact CB-CG 4.14Å |
| 95 | D | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -140.5 | 100.3 | 176.6 | -174.8 | -7 | 0 | 0 | 0 | 110.9 | Y91 G92 R97 W98 L164 L176 | Y91-D95 HydrophobicContact CE1-CB 4.38Å; Y91-D95 PolarHBondContact O-N 2.81Å; G92-D95 WeakPolarHBondContact CA-O 3.31Å; G92-D95 CarbonylContact O-C 3.56Å; D95-R97 VanDerWaalsContact CG-NH2 3.3Å; D95-R97 PolarHBondContact O-N 3.4Å; D95-R97 WeakPolarHBondContact OD1-CB 3.35Å; D95-R97 IonicContact OD1-CZ 3.96Å; D95-R97 PolarHBondContact OD1-N 3.27Å; D95-R97 IonicContact OD1-NE 3.64Å; D95-R97 PolarHBondContact OD1-NE 3.15Å; D95-R97 IonicContact OD1-NH2 3.56Å; D95-R97 PolarHBondContact OD1-NH2 2.82Å; D95-R97 IonicContact OD2-CZ 2.69Å; D95-R97 IonicContact OD2-NE 3.9Å; D95-R97 IonicContact OD2-NH2 3.66Å; D95-R97 PolarHBondContact OD2-NH2 3.28Å; D95-W98 VanDerWaalsContact CG-CD1 3.41Å; D95-W98 PolarHBondContact O-N 3.18Å; D95-W98 PolarHBondContact OD2-NE1 2.86Å; D95-W98 VanDerWaalsContact OD2-NE1 3.17Å; D95-L164 HydrophobicContact CB-CD2 3.66Å; D95-L164 VanDerWaalsContact CG-CD2 3.46Å; D95-L176 HydrophobicContact CB-CD2 4.43Å |
| 96 | S | 97.8 | Very high | 97 | Very high | 45 Ų | 45 | 34.6 Ų | 34.6 | 32% | 0.315 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -65.1 | -16.9 | -171.6 | 68.3 | 0 | 0 | 0 | 0 | 114.1 | G92 W98 L99 H163 | G92-S96 WeakPolarHBondContact O-CA 3.37Å; G92-S96 PolarHBondContact O-N 3.22Å; S96-W98 PolarHBondContact O-N 3.49Å; S96-L99 WeakPolarHBondContact O-CB 3.26Å; S96-L99 PolarHBondContact O-N 2.83Å; S96-H163 PolarHBondContact N-O 2.99Å; S96-H163 VanDerWaalsContact N-O 3.14Å; S96-H163 PolarHBondContact OG-CD2 3.26Å |
| 97 | R | 98.1 | Very high | 97 | Very high | 10 Ų | 10 | 34.2 Ų | 34.2 | 4% | 0.038 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -62.6 | -28.1 | 179.1 | -71.1 | 172 | -66.3 | 157.1 | -4.7 | 112.8 | D95 L99 V100 D102 I105 T152 D156 H163 | D95-R97 VanDerWaalsContact CG-NH2 3.3Å; D95-R97 PolarHBondContact O-N 3.4Å; D95-R97 WeakPolarHBondContact OD1-CB 3.35Å; D95-R97 IonicContact OD1-CZ 3.96Å; D95-R97 PolarHBondContact OD1-N 3.27Å; D95-R97 IonicContact OD1-NE 3.64Å; D95-R97 PolarHBondContact OD1-NE 3.15Å; D95-R97 IonicContact OD1-NH2 3.56Å; D95-R97 PolarHBondContact OD1-NH2 2.82Å; D95-R97 IonicContact OD2-CZ 2.69Å; D95-R97 IonicContact OD2-NE 3.9Å; D95-R97 IonicContact OD2-NH2 3.66Å; D95-R97 PolarHBondContact OD2-NH2 3.28Å; R97-L99 PolarHBondContact O-N 3.06Å; R97-V100 PolarHBondContact O-N 3.27Å; R97-D102 HydrophobicContact CB-CB 3.68Å; R97-D102 HydrophobicContact CG-CB 4.11Å; R97-D102 PolarHBondContact O-N 3.17Å; R97-I105 HydrophobicContact CB-CG1 4.12Å; R97-T152 PolarHBondContact NH1-O 3.04Å; R97-T152 PolarHBondContact NH2-O 3.03Å; R97-D156 IonicContact NE-OD1 3.11Å; R97-D156 IonicContact NH2-OD2 3.4Å; R97-H163 HydrophobicContact CG-CB 3.8Å |
| 98 | W | 97.6 | Very high | 97.1 | Very high | 10 Ų | 10 | 34 Ų | 34 | 4% | 0.038 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -71.2 | -15.6 | 176.1 | -65.2 | 76.4 | 0 | 0 | 0 | 112.9 | F68 V77 W88 Y91 D95 S96 I105 E109 | F68-W98 HydrophobicContact CD1-CE3 4.21Å; F68-W98 HydrophobicContact CD1-CZ3 4.03Å; F68-W98 AromaticContact CD2-CE3 3.81Å; F68-W98 HydrophobicContact CD2-CE3 3.81Å; F68-W98 HydrophobicContact CD2-CZ3 4.38Å; F68-W98 HydrophobicContact CE1-CE3 4.09Å; F68-W98 HydrophobicContact CE1-CZ3 4.1Å; F68-W98 HydrophobicContact CE2-CB 4.3Å; F68-W98 HydrophobicContact CE2-CD2 4.42Å; F68-W98 AromaticContact CE2-CE3 3.68Å; F68-W98 HydrophobicContact CE2-CE3 3.68Å; F68-W98 HydrophobicContact CE2-CZ3 4.44Å; F68-W98 WeakPolarHBondContact CE2-O 3.29Å; F68-W98 HydrophobicContact CG-CE3 4.09Å; F68-W98 HydrophobicContact CG-CZ3 4.2Å; F68-W98 AromaticContact CZ-CE3 3.82Å; F68-W98 HydrophobicContact CZ-CE3 3.82Å; F68-W98 HydrophobicContact CZ-CZ3 4.3Å; V77-W98 WeakPolarHBondContact CB-O 3.27Å; V77-W98 WeakPolarHBondContact CG2-O 3.31Å; W88-W98 HydrophobicContact CD2-CE3 4.4Å; W88-W98 HydrophobicContact CE3-CD2 4.21Å; W88-W98 AromaticContact CE3-CE3 3.54Å; W88-W98 HydrophobicContact CE3-CE3 3.54Å; W88-W98 HydrophobicContact CE3-CZ3 4.06Å; W88-W98 AromaticContact CH2-CE3 3.61Å; W88-W98 HydrophobicContact CH2-CE3 3.61Å; W88-W98 AromaticContact CH2-CH2 3.89Å; W88-W98 HydrophobicContact CH2-CH2 3.89Å; W88-W98 AromaticContact CH2-CZ3 3.18Å; W88-W98 HydrophobicContact CH2-CZ3 3.18Å; W88-W98 HydrophobicContact CZ2-CE3 4.43Å; W88-W98 HydrophobicContact CZ2-CZ3 4.05Å; W88-W98 AromaticContact CZ3-CD2 3.8Å; W88-W98 HydrophobicContact CZ3-CD2 3.8Å; W88-W98 AromaticContact CZ3-CE3 3.09Å; W88-W98 HydrophobicContact CZ3-CE3 3.09Å; W88-W98 AromaticContact CZ3-CH2 3.96Å; W88-W98 HydrophobicContact CZ3-CH2 3.96Å; W88-W98 AromaticContact CZ3-CZ3 3.21Å; W88-W98 HydrophobicContact CZ3-CZ3 3.21Å; Y91-W98 HydrophobicContact CD1-CB 4.36Å; Y91-W98 HydrophobicContact CD1-CD2 4.02Å; Y91-W98 AromaticContact CD1-CG 3.87Å; Y91-W98 HydrophobicContact CD1-CG 3.87Å; Y91-W98 AromaticContact CE1-CD1 3.7Å; Y91-W98 AromaticContact CE1-CD2 3.89Å; Y91-W98 HydrophobicContact CE1-CD2 3.89Å; Y91-W98 AromaticContact CE1-CE2 3.59Å; Y91-W98 AromaticContact CE1-CG 3.93Å; Y91-W98 HydrophobicContact CE1-CG 3.93Å; Y91-W98 HydrophobicContact CE1-CZ2 4.14Å; Y91-W98 AromaticContact CE1-NE1 3.52Å; D95-W98 VanDerWaalsContact CG-CD1 3.41Å; D95-W98 PolarHBondContact O-N 3.18Å; D95-W98 PolarHBondContact OD2-NE1 2.86Å; D95-W98 VanDerWaalsContact OD2-NE1 3.17Å; S96-W98 PolarHBondContact O-N 3.49Å; W98-I105 HydrophobicContact CD2-CG2 3.95Å; W98-I105 HydrophobicContact CE3-CG2 4.11Å; W98-I105 HydrophobicContact CH2-CG2 4.17Å; W98-I105 HydrophobicContact CZ2-CG2 3.99Å; W98-I105 HydrophobicContact CZ3-CG2 4.2Å; W98-E109 HydrophobicContact CH2-CG 4.11Å; W98-E109 WeakPolarHBondContact CH2-OE1 3.26Å; W98-E109 HydrophobicContact CZ3-CG 4.1Å |
| 99 | L | 97.8 | Very high | 97.1 | Very high | 32 Ų | 32 | 33.8 Ų | 33.8 | 17% | 0.168 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -37.1 | 176.5 | -60.2 | -177.8 | 0 | 0 | 0 | 112.4 | T76 V77 E78 K89 S96 R97 | T76-L99 WeakPolarHBondContact CB-O 3.43Å; V77-L99 HydrophobicContact CG1-CD2 4.26Å; V77-L99 PolarHBondContact N-O 2.86Å; E78-L99 HydrophobicContact CB-CB 4.37Å; E78-L99 PolarHBondContact N-O 3.26Å; E78-L99 VanDerWaalsContact N-O 3.16Å; K89-L99 HydrophobicContact CB-CD2 4.3Å; K89-L99 HydrophobicContact CG-CD2 4.14Å; S96-L99 WeakPolarHBondContact O-CB 3.26Å; S96-L99 PolarHBondContact O-N 2.83Å; R97-L99 PolarHBondContact O-N 3.06Å |
| 100 | V | 96.4 | Very high | 97.1 | Very high | 83 Ų | 83 | 34.6 Ų | 34.6 | 50% | 0.503 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 18 | -163.3 | -61.7 | 0 | 0 | 0 | 0 | 113.8 | R97 D102 | R97-V100 PolarHBondContact O-N 3.27Å; V100-D102 PolarHBondContact O-N 3.22Å |
| 101 | S | 92.7 | Very high | 97.1 | Very high | 21 Ų | 21 | 38.8 Ų | 38.8 | 15% | 0.147 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 47.2 | 178.9 | -51.8 | 0 | 0 | 0 | 0 | 112.5 | S72 G75 | S72-S101 VanDerWaalsContact CA-OG 3.3Å; S72-S101 WeakPolarHBondContact CA-OG 3.37Å; S72-S101 WeakPolarHBondContact CB-OG 3.12Å; S72-S101 PolarHBondContact O-OG 2.69Å; G75-S101 PolarHBondContact O-OG 2.83Å |
| 102 | D | 97.6 | Very high | 97.1 | Very high | 34 Ų | 34 | 38.2 Ų | 38.2 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | trans | -51.3 | 125.5 | 178.4 | 176.6 | -89.5 | 0 | 0 | 0 | 110.9 | R97 V100 N104 I105 V106 | R97-D102 HydrophobicContact CB-CB 3.68Å; R97-D102 HydrophobicContact CG-CB 4.11Å; R97-D102 PolarHBondContact O-N 3.17Å; V100-D102 PolarHBondContact O-N 3.22Å; D102-N104 PolarHBondContact O-N 3.18Å; D102-N104 VanDerWaalsContact O-N 3.17Å; D102-N104 WeakPolarHBondContact OD1-CA 3.46Å; D102-N104 VanDerWaalsContact OD1-CB 3.31Å; D102-N104 WeakPolarHBondContact OD1-CB 3.26Å; D102-N104 PolarHBondContact OD1-N 3.28Å; D102-I105 HydrophobicContact CB-CB 4.24Å; D102-I105 HydrophobicContact CB-CG1 4.01Å; D102-I105 PolarHBondContact O-N 3.45Å; D102-I105 VanDerWaalsContact O-N 3.15Å; D102-I105 PolarHBondContact OD1-N 3.31Å; D102-I105 VanDerWaalsContact OD1-N 3.12Å; D102-V106 WeakPolarHBondContact O-CG2 3.39Å; D102-V106 PolarHBondContact O-N 2.9Å | ||
| 103 | P | 96.8 | Very high | 97.1 | Very high | 92 Ų | 92 | 39.1 Ų | 39.1 | 60% | 0.597 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -60.1 | -30.9 | -172.7 | -27.9 | 35.2 | 0 | 0 | 0 | 114.4 | S107 | P103-S107 WeakPolarHBondContact O-CB 3.25Å; P103-S107 PolarHBondContact O-N 3.05Å; P103-S107 PolarHBondContact O-OG 2.78Å |
| 104 | N | 95.9 | Very high | 97.2 | Very high | 87 Ų | 87 | 38.7 Ų | 38.7 | 47% | 0.465 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -71.6 | -46.9 | 178.2 | -65.8 | -38.4 | 0 | 0 | 0 | 110.1 | D102 S107 L108 | D102-N104 PolarHBondContact O-N 3.18Å; D102-N104 VanDerWaalsContact O-N 3.17Å; D102-N104 WeakPolarHBondContact OD1-CA 3.46Å; D102-N104 VanDerWaalsContact OD1-CB 3.31Å; D102-N104 WeakPolarHBondContact OD1-CB 3.26Å; D102-N104 PolarHBondContact OD1-N 3.28Å; N104-S107 PolarHBondContact O-N 3.12Å; N104-L108 VanDerWaalsContact O-CG 3.32Å; N104-L108 WeakPolarHBondContact O-CG 3.23Å; N104-L108 PolarHBondContact O-N 2.83Å; N104-L108 VanDerWaalsContact O-N 3.09Å |
| 105 | I | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.7 | -53.9 | 177 | -57.6 | -68.1 | 0 | 0 | 0 | 109.7 | F68 R97 W98 D102 S107 L108 E109 T152 | F68-I105 HydrophobicContact CE1-CG2 3.99Å; F68-I105 HydrophobicContact CZ-CG2 3.79Å; R97-I105 HydrophobicContact CB-CG1 4.12Å; W98-I105 HydrophobicContact CD2-CG2 3.95Å; W98-I105 HydrophobicContact CE3-CG2 4.11Å; W98-I105 HydrophobicContact CH2-CG2 4.17Å; W98-I105 HydrophobicContact CZ2-CG2 3.99Å; W98-I105 HydrophobicContact CZ3-CG2 4.2Å; D102-I105 HydrophobicContact CB-CB 4.24Å; D102-I105 HydrophobicContact CB-CG1 4.01Å; D102-I105 PolarHBondContact O-N 3.45Å; D102-I105 VanDerWaalsContact O-N 3.15Å; D102-I105 PolarHBondContact OD1-N 3.31Å; D102-I105 VanDerWaalsContact OD1-N 3.12Å; I105-S107 VanDerWaalsContact C-N 3.27Å; I105-S107 PolarHBondContact O-N 2.77Å; I105-L108 PolarHBondContact O-N 2.7Å; I105-E109 HydrophobicContact CG2-CG 4.05Å; I105-E109 VanDerWaalsContact O-CG 3.25Å; I105-E109 WeakPolarHBondContact O-CG 3.24Å; I105-E109 PolarHBondContact O-N 3.29Å; I105-T152 HydrophobicContact CD1-CG2 3.79Å |
| 106 | V | 98.1 | Very high | 97.2 | Very high | 12 Ų | 12 | 42.5 Ų | 42.5 | 7% | 0.073 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59 | -38.8 | -179.2 | 177.8 | 0 | 0 | 0 | 0 | 111.9 | F68 L73 D102 E109 I110 | F68-V106 HydrophobicContact CE1-CG2 4.19Å; F68-V106 HydrophobicContact CZ-CG2 3.97Å; L73-V106 HydrophobicContact CD2-CG1 4.31Å; D102-V106 WeakPolarHBondContact O-CG2 3.39Å; D102-V106 PolarHBondContact O-N 2.9Å; V106-E109 PolarHBondContact O-N 3.03Å; V106-I110 HydrophobicContact CG1-CD1 4.08Å; V106-I110 WeakPolarHBondContact O-CD1 3.43Å; V106-I110 VanDerWaalsContact O-CG1 3.24Å; V106-I110 WeakPolarHBondContact O-CG1 3.47Å; V106-I110 PolarHBondContact O-N 3.49Å |
| 107 | S | 97.6 | Very high | 97.2 | Very high | 71 Ų | 71 | 40.6 Ų | 40.6 | 50% | 0.497 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.5 | -38.1 | 177.5 | -62.8 | 0 | 0 | 0 | 0 | 112.9 | P103 N104 I105 | P103-S107 WeakPolarHBondContact O-CB 3.25Å; P103-S107 PolarHBondContact O-N 3.05Å; P103-S107 PolarHBondContact O-OG 2.78Å; N104-S107 PolarHBondContact O-N 3.12Å; I105-S107 VanDerWaalsContact C-N 3.27Å; I105-S107 PolarHBondContact O-N 2.77Å |
| 108 | L | 97.3 | Very high | 97.2 | Very high | 22 Ų | 22 | 44.9 Ų | 44.9 | 12% | 0.115 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.1 | -45.8 | 175.7 | -69.1 | 168.7 | 0 | 0 | 0 | 111 | N104 I105 I110 L111 T112 M151 | N104-L108 VanDerWaalsContact O-CG 3.32Å; N104-L108 WeakPolarHBondContact O-CG 3.23Å; N104-L108 PolarHBondContact O-N 2.83Å; N104-L108 VanDerWaalsContact O-N 3.09Å; I105-L108 PolarHBondContact O-N 2.7Å; L108-I110 VanDerWaalsContact C-N 3.27Å; L108-I110 PolarHBondContact O-N 3.34Å; L108-L111 CarbonylContact O-C 3.58Å; L108-L111 WeakPolarHBondContact O-CA 3.34Å; L108-L111 VanDerWaalsContact O-CB 3.31Å; L108-L111 WeakPolarHBondContact O-CB 3.38Å; L108-L111 PolarHBondContact O-N 3.04Å; L108-T112 PolarHBondContact O-N 3.33Å; L108-M151 HydrophobicContact CD1-CB 3.5Å; L108-M151 VanDerWaalsContact CD1-CB 3.5Å; L108-M151 HydrophobicContact CD2-CB 3.85Å; L108-M151 HydrophobicContact CD2-CG 4.46Å; L108-M151 HydrophobicContact CG-CB 4.26Å |
| 109 | E | 98.1 | Very high | 97.3 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 5% | 0.051 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.7 | -29.2 | -177 | -63.1 | -64.4 | 132.3 | 0 | 0 | 112.1 | E65 F68 V69 W98 I105 V106 L111 T112 V113 | E65-E109 VanDerWaalsContact CB-OE2 3.27Å; E65-E109 WeakPolarHBondContact CB-OE2 3.4Å; E65-E109 WeakPolarHBondContact CG-OE2 3.44Å; E65-E109 VanDerWaalsContact OE2-OE2 3.11Å; F68-E109 HydrophobicContact CD1-CB 3.92Å; F68-E109 HydrophobicContact CD1-CG 3.85Å; F68-E109 HydrophobicContact CE1-CB 3.86Å; F68-E109 HydrophobicContact CE1-CG 3.6Å; V69-E109 HydrophobicContact CG2-CB 3.53Å; W98-E109 HydrophobicContact CH2-CG 4.11Å; W98-E109 WeakPolarHBondContact CH2-OE1 3.26Å; W98-E109 HydrophobicContact CZ3-CG 4.1Å; I105-E109 HydrophobicContact CG2-CG 4.05Å; I105-E109 VanDerWaalsContact O-CG 3.25Å; I105-E109 WeakPolarHBondContact O-CG 3.24Å; I105-E109 PolarHBondContact O-N 3.29Å; V106-E109 PolarHBondContact O-N 3.03Å; E109-L111 VanDerWaalsContact C-N 3.27Å; E109-L111 PolarHBondContact O-N 3.37Å; E109-T112 VanDerWaalsContact CA-OG1 3.3Å; E109-T112 WeakPolarHBondContact CA-OG1 3.3Å; E109-T112 PolarHBondContact O-N 3.34Å; E109-T112 PolarHBondContact O-OG1 2.93Å; E109-V113 VanDerWaalsContact O-CB 3.26Å; E109-V113 WeakPolarHBondContact O-CB 3.35Å; E109-V113 WeakPolarHBondContact O-CG2 3.02Å; E109-V113 PolarHBondContact O-N 3.17Å |
| 110 | I | 98.1 | Very high | 97.3 | Very high | 65 Ų | 65 | 43.9 Ų | 43.9 | 33% | 0.333 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 168.8 | -71 | 163.3 | 0 | 0 | 0 | 110.9 | V69 L73 V106 L108 V114 | V69-I110 HydrophobicContact CG1-CG1 3.63Å; V69-I110 HydrophobicContact CG2-CG1 4.34Å; L73-I110 HydrophobicContact CD2-CD1 4.29Å; V106-I110 HydrophobicContact CG1-CD1 4.08Å; V106-I110 WeakPolarHBondContact O-CD1 3.43Å; V106-I110 VanDerWaalsContact O-CG1 3.24Å; V106-I110 WeakPolarHBondContact O-CG1 3.47Å; V106-I110 PolarHBondContact O-N 3.49Å; L108-I110 VanDerWaalsContact C-N 3.27Å; L108-I110 PolarHBondContact O-N 3.34Å; I110-V114 WeakPolarHBondContact O-CB 3.49Å; I110-V114 VanDerWaalsContact O-CG2 3.32Å; I110-V114 WeakPolarHBondContact O-CG2 3.3Å; I110-V114 PolarHBondContact O-N 3.12Å |
| 111 | L | 96.9 | Very high | 97.4 | Very high | 95 Ų | 95 | 43.9 Ų | 43.9 | 50% | 0.497 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -71.5 | -43.2 | 177.7 | -67.7 | 172.5 | 0 | 0 | 0 | 111.6 | L108 E109 V114 L115 D116 | L108-L111 CarbonylContact O-C 3.58Å; L108-L111 WeakPolarHBondContact O-CA 3.34Å; L108-L111 VanDerWaalsContact O-CB 3.31Å; L108-L111 WeakPolarHBondContact O-CB 3.38Å; L108-L111 PolarHBondContact O-N 3.04Å; E109-L111 VanDerWaalsContact C-N 3.27Å; E109-L111 PolarHBondContact O-N 3.37Å; L111-V114 PolarHBondContact O-N 3.36Å; L111-L115 WeakPolarHBondContact O-CA 3.34Å; L111-L115 VanDerWaalsContact O-CB 3.26Å; L111-L115 WeakPolarHBondContact O-CB 3.27Å; L111-L115 PolarHBondContact O-N 3.15Å; L111-D116 PolarHBondContact O-N 2.92Å; L111-D116 VanDerWaalsContact O-N 3.13Å |
| 112 | T | 95.9 | Very high | 97.7 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 9% | 0.092 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -63.6 | -46.7 | 179.8 | 59.7 | 0 | 0 | 0 | 0 | 111.3 | E65 L108 E109 V114 D116 S117 | E65-T112 VanDerWaalsContact OE2-CB 3.24Å; E65-T112 WeakPolarHBondContact OE2-CB 3.19Å; E65-T112 PolarHBondContact OE2-OG1 2.95Å; L108-T112 PolarHBondContact O-N 3.33Å; E109-T112 VanDerWaalsContact CA-OG1 3.3Å; E109-T112 WeakPolarHBondContact CA-OG1 3.3Å; E109-T112 PolarHBondContact O-N 3.34Å; E109-T112 PolarHBondContact O-OG1 2.93Å; T112-V114 VanDerWaalsContact C-N 3.34Å; T112-V114 PolarHBondContact O-N 2.86Å; T112-D116 WeakPolarHBondContact O-CB 3.4Å; T112-D116 PolarHBondContact O-N 3.07Å; T112-S117 PolarHBondContact O-N 3.01Å; T112-S117 PolarHBondContact O-OG 3.04Å |
| 113 | V | 97.9 | Very high | 97.8 | Very high | 23 Ų | 23 | 45.5 Ų | 45.5 | 14% | 0.139 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -62.8 | -38.7 | 179.3 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | E65 G66 V69 E109 S117 | E65-V113 VanDerWaalsContact C-CG2 3.48Å; E65-V113 HydrophobicContact CB-CG2 3.53Å; G66-V113 VanDerWaalsContact N-CG2 3.33Å; V69-V113 HydrophobicContact CG2-CG2 3.99Å; E109-V113 VanDerWaalsContact O-CB 3.26Å; E109-V113 WeakPolarHBondContact O-CB 3.35Å; E109-V113 WeakPolarHBondContact O-CG2 3.02Å; E109-V113 PolarHBondContact O-N 3.17Å; V113-S117 WeakPolarHBondContact O-CB 3.25Å; V113-S117 PolarHBondContact O-OG 3.4Å |
| 114 | V | 97.5 | Very high | 97.9 | Very high | 85 Ų | 85 | 41.7 Ų | 41.7 | 52% | 0.515 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -96.4 | -64.2 | -175.7 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | I110 L111 T112 L118 | I110-V114 WeakPolarHBondContact O-CB 3.49Å; I110-V114 VanDerWaalsContact O-CG2 3.32Å; I110-V114 WeakPolarHBondContact O-CG2 3.3Å; I110-V114 PolarHBondContact O-N 3.12Å; L111-V114 PolarHBondContact O-N 3.36Å; T112-V114 VanDerWaalsContact C-N 3.34Å; T112-V114 PolarHBondContact O-N 2.86Å; V114-L118 HydrophobicContact CG1-CD1 4.31Å; V114-L118 WeakPolarHBondContact O-CB 3.24Å; V114-L118 WeakPolarHBondContact O-CD1 3.1Å; V114-L118 WeakPolarHBondContact O-CG 3.27Å; V114-L118 PolarHBondContact O-N 3.34Å |
| 115 | L | 97.6 | Very high | 98 | Very high | 76 Ų | 76 | 41.4 Ų | 41.4 | 40% | 0.398 | 23% | 0.226 | S | C | . | . | I | π-helix | trans | -70.5 | -51.7 | -172.8 | 179.2 | 61.5 | 0 | 0 | 0 | 111.3 | L111 L118 L119 | L111-L115 WeakPolarHBondContact O-CA 3.34Å; L111-L115 VanDerWaalsContact O-CB 3.26Å; L111-L115 WeakPolarHBondContact O-CB 3.27Å; L111-L115 PolarHBondContact O-N 3.15Å; L115-L118 PolarHBondContact O-N 3.09Å; L115-L119 HydrophobicContact CD1-CD1 4.11Å; L115-L119 HydrophobicContact CD1-CG 4.19Å; L115-L119 HydrophobicContact CG-CD1 3.97Å; L115-L119 HydrophobicContact CG-CG 4.44Å; L115-L119 WeakPolarHBondContact O-CG 3.46Å; L115-L119 PolarHBondContact O-N 2.91Å |
| 116 | D | 98 | Very high | 98 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -70 | -39 | -173.6 | -65.7 | -9.1 | 0 | 0 | 0 | 111 | L111 T112 L118 L119 A120 L141 C144 | L111-D116 PolarHBondContact O-N 2.92Å; L111-D116 VanDerWaalsContact O-N 3.13Å; T112-D116 WeakPolarHBondContact O-CB 3.4Å; T112-D116 PolarHBondContact O-N 3.07Å; D116-L118 VanDerWaalsContact C-N 3.33Å; D116-L118 PolarHBondContact O-N 3.11Å; D116-L119 PolarHBondContact O-N 3.22Å; D116-A120 VanDerWaalsContact O-CB 3.24Å; D116-A120 WeakPolarHBondContact O-CB 3.4Å; D116-A120 PolarHBondContact O-N 2.61Å; D116-L141 HydrophobicContact CB-CD1 3.64Å; D116-C144 WeakPolarHBondContact OD1-CB 3.35Å; D116-C144 PolarHBondContact OD1-SG 2.89Å; D116-C144 WeakPolarHBondContact OD2-CB 3.5Å |
| 117 | S | 98.2 | Very high | 98 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 3% | 0.028 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.3 | -42.2 | 170.2 | -67.1 | 0 | 0 | 0 | 0 | 113.1 | H61 T112 V113 L121 | H61-S117 WeakPolarHBondContact CB-OG 3.3Å; T112-S117 PolarHBondContact O-N 3.01Å; T112-S117 PolarHBondContact O-OG 3.04Å; V113-S117 WeakPolarHBondContact O-CB 3.25Å; V113-S117 PolarHBondContact O-OG 3.4Å; S117-L121 WeakPolarHBondContact O-CB 3.21Å; S117-L121 VanDerWaalsContact O-CG 3.24Å; S117-L121 WeakPolarHBondContact O-CG 3.46Å; S117-L121 PolarHBondContact O-N 3.27Å |
| 118 | L | 98.4 | Very high | 97.9 | Very high | 101 Ų | 101 | 40.7 Ų | 40.7 | 53% | 0.529 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.9 | -43.6 | 176.1 | -74 | 171.8 | 0 | 0 | 0 | 111.7 | V114 L115 D116 L121 L122 | V114-L118 HydrophobicContact CG1-CD1 4.31Å; V114-L118 WeakPolarHBondContact O-CB 3.24Å; V114-L118 WeakPolarHBondContact O-CD1 3.1Å; V114-L118 WeakPolarHBondContact O-CG 3.27Å; V114-L118 PolarHBondContact O-N 3.34Å; L115-L118 PolarHBondContact O-N 3.09Å; D116-L118 VanDerWaalsContact C-N 3.33Å; D116-L118 PolarHBondContact O-N 3.11Å; L118-L121 PolarHBondContact O-N 3.09Å; L118-L122 WeakPolarHBondContact O-CB 3.24Å; L118-L122 VanDerWaalsContact O-CG 3.27Å; L118-L122 WeakPolarHBondContact O-CG 3.3Å; L118-L122 PolarHBondContact O-N 3.35Å |
| 119 | L | 98.6 | Very high | 97.9 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 11% | 0.105 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -43.9 | 176.6 | -72.7 | 173.3 | 0 | 0 | 0 | 111.5 | L115 D116 L122 L123 L137 T140 L141 | L115-L119 HydrophobicContact CD1-CD1 4.11Å; L115-L119 HydrophobicContact CD1-CG 4.19Å; L115-L119 HydrophobicContact CG-CD1 3.97Å; L115-L119 HydrophobicContact CG-CG 4.44Å; L115-L119 WeakPolarHBondContact O-CG 3.46Å; L115-L119 PolarHBondContact O-N 2.91Å; D116-L119 PolarHBondContact O-N 3.22Å; L119-L122 PolarHBondContact O-N 2.92Å; L119-L123 VanDerWaalsContact O-CB 3.24Å; L119-L123 WeakPolarHBondContact O-CB 3.26Å; L119-L123 PolarHBondContact O-N 3.1Å; L119-L137 HydrophobicContact CD2-CD2 3.92Å; L119-T140 HydrophobicContact CD1-CG2 3.93Å; L119-T140 HydrophobicContact CD2-CG2 4.41Å; L119-L141 HydrophobicContact CB-CB 4.36Å; L119-L141 HydrophobicContact CB-CD1 4.18Å |
| 120 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | L54 V58 D116 L122 L123 I124 L141 | L54-A120 HydrophobicContact CD2-CB 4.29Å; V58-A120 HydrophobicContact CG2-CB 3.46Å; V58-A120 VanDerWaalsContact CG2-CB 3.46Å; D116-A120 VanDerWaalsContact O-CB 3.24Å; D116-A120 WeakPolarHBondContact O-CB 3.4Å; D116-A120 PolarHBondContact O-N 2.61Å; A120-L122 PolarHBondContact O-N 2.89Å; A120-L123 PolarHBondContact O-N 3Å; A120-I124 VanDerWaalsContact O-CG1 3.27Å; A120-I124 WeakPolarHBondContact O-CG1 3.13Å; A120-I124 PolarHBondContact O-N 3.18Å; A120-L141 HydrophobicContact CB-CD1 4.46Å; A120-L141 HydrophobicContact CB-CD2 3.82Å |
| 121 | L | 98.7 | Very high | 97.6 | Very high | 84 Ų | 84 | 50.1 Ų | 50.1 | 44% | 0.44 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 173.6 | -74.4 | 171.4 | 0 | 0 | 0 | 112.5 | V58 S117 L118 L123 I124 H125 | V58-L121 HydrophobicContact CG1-CD2 4.09Å; V58-L121 HydrophobicContact CG1-CG 4.24Å; V58-L121 HydrophobicContact CG2-CD2 4.3Å; V58-L121 HydrophobicContact CG2-CG 4.11Å; S117-L121 WeakPolarHBondContact O-CB 3.21Å; S117-L121 VanDerWaalsContact O-CG 3.24Å; S117-L121 WeakPolarHBondContact O-CG 3.46Å; S117-L121 PolarHBondContact O-N 3.27Å; L118-L121 PolarHBondContact O-N 3.09Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L121-I124 PolarHBondContact O-N 3.35Å; L121-H125 PolarHBondContact O-N 3Å |
| 122 | L | 98.6 | Very high | 97.5 | Very high | 89 Ų | 89 | 56.1 Ų | 56.1 | 47% | 0.466 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.2 | -36.9 | 175 | -72 | 173.2 | 0 | 0 | 0 | 111.7 | L118 L119 A120 H125 A126 L137 | L118-L122 WeakPolarHBondContact O-CB 3.24Å; L118-L122 VanDerWaalsContact O-CG 3.27Å; L118-L122 WeakPolarHBondContact O-CG 3.3Å; L118-L122 PolarHBondContact O-N 3.35Å; L119-L122 PolarHBondContact O-N 2.92Å; A120-L122 PolarHBondContact O-N 2.89Å; L122-H125 WeakPolarHBondContact O-CB 3.1Å; L122-H125 PolarHBondContact O-N 3.43Å; L122-A126 WeakPolarHBondContact O-CB 3.16Å; L122-A126 PolarHBondContact O-N 2.74Å; L122-L137 HydrophobicContact CB-CD1 3.78Å |
| 123 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.8 | -40.7 | 177.2 | 179.8 | 55.4 | 0 | 0 | 0 | 111.6 | L54 L119 A120 L121 H125 A126 V127 R134 L137 Q138 L141 | L54-L123 HydrophobicContact CD1-CB 4.24Å; L54-L123 HydrophobicContact CD1-CD2 3.82Å; L54-L123 HydrophobicContact CD1-CG 3.62Å; L54-L123 HydrophobicContact CD2-CD2 3.69Å; L54-L123 HydrophobicContact CD2-CG 4.31Å; L54-L123 HydrophobicContact CG-CD2 4.4Å; L119-L123 VanDerWaalsContact O-CB 3.24Å; L119-L123 WeakPolarHBondContact O-CB 3.26Å; L119-L123 PolarHBondContact O-N 3.1Å; A120-L123 PolarHBondContact O-N 3Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L123-H125 VanDerWaalsContact C-N 3.28Å; L123-H125 PolarHBondContact O-N 3.03Å; L123-A126 HydrophobicContact CD1-CB 4.49Å; L123-A126 CarbonylContact O-C 3.52Å; L123-A126 WeakPolarHBondContact O-CB 3.32Å; L123-A126 PolarHBondContact O-N 3.45Å; L123-V127 HydrophobicContact CD1-CG2 4.02Å; L123-V127 HydrophobicContact CG-CG2 4.35Å; L123-V127 VanDerWaalsContact O-CG2 3.28Å; L123-V127 WeakPolarHBondContact O-CG2 3.37Å; L123-V127 PolarHBondContact O-N 2.92Å; L123-R134 HydrophobicContact CD1-CG 3.82Å; L123-R134 VanDerWaalsContact CD1-O 3.28Å; L123-R134 WeakPolarHBondContact CD1-O 3.37Å; L123-L137 HydrophobicContact CB-CB 4.14Å; L123-L137 HydrophobicContact CB-CD1 4.5Å; L123-L137 HydrophobicContact CD1-CB 4.03Å; L123-Q138 HydrophobicContact CD1-CB 3.96Å; L123-Q138 HydrophobicContact CD2-CB 3.81Å; L123-Q138 HydrophobicContact CD2-CG 4.11Å; L123-L141 HydrophobicContact CD2-CD2 4.06Å |
| 124 | I | 98.6 | Very high | 97.6 | Very high | 11 Ų | 11 | 58.4 Ų | 58.4 | 6% | 0.056 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -54.9 | -48.4 | 170.5 | -71.6 | 162.3 | 0 | 0 | 0 | 109.7 | L51 L54 F55 V58 A120 L121 A126 V127 L128 | L51-I124 HydrophobicContact CD2-CB 4.44Å; L51-I124 HydrophobicContact CD2-CG1 4.4Å; L51-I124 HydrophobicContact CD2-CG2 4.04Å; L54-I124 HydrophobicContact CB-CD1 3.82Å; L54-I124 HydrophobicContact CB-CG1 3.49Å; L54-I124 VanDerWaalsContact CB-CG1 3.49Å; L54-I124 HydrophobicContact CD1-CG1 3.94Å; L54-I124 HydrophobicContact CG-CG1 4.35Å; F55-I124 HydrophobicContact CD1-CD1 3.79Å; F55-I124 HydrophobicContact CE1-CD1 3.91Å; F55-I124 HydrophobicContact CE1-CG2 4Å; F55-I124 HydrophobicContact CG-CD1 4.32Å; F55-I124 HydrophobicContact CZ-CG2 3.8Å; V58-I124 HydrophobicContact CG2-CD1 4.34Å; A120-I124 VanDerWaalsContact O-CG1 3.27Å; A120-I124 WeakPolarHBondContact O-CG1 3.13Å; A120-I124 PolarHBondContact O-N 3.18Å; L121-I124 PolarHBondContact O-N 3.35Å; I124-A126 VanDerWaalsContact C-N 3.32Å; I124-A126 PolarHBondContact O-N 3.38Å; I124-V127 PolarHBondContact O-N 3.43Å; I124-L128 HydrophobicContact CG2-CD1 3.76Å; I124-L128 HydrophobicContact CG2-CG 4.39Å; I124-L128 WeakPolarHBondContact O-CB 3.24Å; I124-L128 VanDerWaalsContact O-CG 3.31Å; I124-L128 WeakPolarHBondContact O-CG 3.41Å; I124-L128 PolarHBondContact O-N 3.39Å |
| 125 | H | 98.1 | Very high | 97.6 | Very high | 82 Ų | 82 | 55.3 Ų | 55.3 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.1 | -45.2 | 175 | 175.3 | 83.2 | 0 | 0 | 0 | 111.7 | L121 L122 L123 V127 L128 N129 Y133 | L121-H125 PolarHBondContact O-N 3Å; L122-H125 WeakPolarHBondContact O-CB 3.1Å; L122-H125 PolarHBondContact O-N 3.43Å; L123-H125 VanDerWaalsContact C-N 3.28Å; L123-H125 PolarHBondContact O-N 3.03Å; H125-V127 PolarHBondContact O-N 2.86Å; H125-L128 PolarHBondContact O-N 2.97Å; H125-N129 PolarHBondContact CE1-ND2 3.14Å; H125-N129 PolarHBondContact ND1-ND2 3.05Å; H125-N129 WeakPolarHBondContact O-CB 3.42Å; H125-N129 PolarHBondContact O-N 3.04Å; H125-N129 PolarHBondContact O-ND2 3.31Å; H125-Y133 PolarHBondContact CD2-OH 3.06Å |
| 126 | A | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.7 | -40 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L122 L123 I124 D130 K131 Y133 R134 L137 | L122-A126 WeakPolarHBondContact O-CB 3.16Å; L122-A126 PolarHBondContact O-N 2.74Å; L123-A126 HydrophobicContact CD1-CB 4.49Å; L123-A126 CarbonylContact O-C 3.52Å; L123-A126 WeakPolarHBondContact O-CB 3.32Å; L123-A126 PolarHBondContact O-N 3.45Å; I124-A126 VanDerWaalsContact C-N 3.32Å; I124-A126 PolarHBondContact O-N 3.38Å; A126-D130 PolarHBondContact O-N 2.91Å; A126-D130 VanDerWaalsContact O-N 3.13Å; A126-K131 HydrophobicContact CB-CB 3.99Å; A126-K131 HydrophobicContact CB-CG 4.38Å; A126-K131 PolarHBondContact O-N 3.22Å; A126-Y133 HydrophobicContact CB-CD2 4.07Å; A126-Y133 HydrophobicContact CB-CE2 3.68Å; A126-R134 HydrophobicContact CB-CB 3.93Å; A126-R134 HydrophobicContact CB-CG 4.44Å; A126-L137 HydrophobicContact CB-CD1 4.22Å |
| 127 | V | 97.5 | Very high | 97.7 | Very high | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.048 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.7 | -47 | 176.6 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | D47 I50 L51 L123 I124 H125 N129 R134 | D47-V127 HydrophobicContact CB-CG1 3.95Å; I50-V127 HydrophobicContact CG2-CG2 4.16Å; L51-V127 HydrophobicContact CD1-CG1 4.17Å; L51-V127 HydrophobicContact CD2-CB 4.1Å; L51-V127 HydrophobicContact CD2-CG1 3.9Å; L51-V127 HydrophobicContact CG-CG1 3.84Å; L123-V127 HydrophobicContact CD1-CG2 4.02Å; L123-V127 HydrophobicContact CG-CG2 4.35Å; L123-V127 VanDerWaalsContact O-CG2 3.28Å; L123-V127 WeakPolarHBondContact O-CG2 3.37Å; L123-V127 PolarHBondContact O-N 2.92Å; I124-V127 PolarHBondContact O-N 3.43Å; H125-V127 PolarHBondContact O-N 2.86Å; V127-N129 VanDerWaalsContact C-N 3.28Å; V127-N129 PolarHBondContact O-N 2.88Å; V127-R134 HydrophobicContact CG2-CG 4Å |
| 128 | L | 96.9 | Very high | 97.7 | Very high | 59 Ų | 59 | 58.9 Ų | 58.9 | 31% | 0.309 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.7 | -26.7 | -178.2 | -70.8 | 174.4 | 0 | 0 | 0 | 113.6 | Y39 L51 I124 H125 | Y39-L128 WeakPolarHBondContact O-CD2 3.37Å; L51-L128 HydrophobicContact CD1-CD2 3.6Å; L51-L128 HydrophobicContact CD1-CG 4.38Å; L51-L128 HydrophobicContact CD2-CD2 4.06Å; L51-L128 HydrophobicContact CD2-CG 3.94Å; I124-L128 HydrophobicContact CG2-CD1 3.76Å; I124-L128 HydrophobicContact CG2-CG 4.39Å; I124-L128 WeakPolarHBondContact O-CB 3.24Å; I124-L128 VanDerWaalsContact O-CG 3.31Å; I124-L128 WeakPolarHBondContact O-CG 3.41Å; I124-L128 PolarHBondContact O-N 3.39Å; H125-L128 PolarHBondContact O-N 2.97Å |
| 129 | N | 95.9 | Very high | 97.8 | Very high | 79 Ų | 79 | 56.7 Ų | 56.7 | 42% | 0.422 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 16.4 | -173.8 | -61.9 | -88.6 | 0 | 0 | 0 | 113.5 | H125 V127 K131 | H125-N129 PolarHBondContact CE1-ND2 3.14Å; H125-N129 PolarHBondContact ND1-ND2 3.05Å; H125-N129 WeakPolarHBondContact O-CB 3.42Å; H125-N129 PolarHBondContact O-N 3.04Å; H125-N129 PolarHBondContact O-ND2 3.31Å; V127-N129 VanDerWaalsContact C-N 3.28Å; V127-N129 PolarHBondContact O-N 2.88Å; N129-K131 HydrophobicContact CB-CD 4.25Å; N129-K131 HydrophobicContact CB-CG 4.16Å; N129-K131 PolarHBondContact O-N 3.48Å |
| 130 | D | 93.6 | Very high | 97.8 | Very high | 141 Ų | 141 | 57.9 Ų | 57.9 | 75% | 0.754 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 55 | 177.4 | -165.4 | 33.8 | 0 | 0 | 0 | 113.4 | A126 | A126-D130 PolarHBondContact O-N 2.91Å; A126-D130 VanDerWaalsContact O-N 3.13Å |
| 131 | K | 97.2 | Very high | 97.8 | Very high | 77 Ų | 77 | 57.9 Ų | 57.9 | 34% | 0.335 | 28% | 0.275 | S | S | . | . | trans | -87.6 | 137.2 | -176.2 | -58.4 | -59.9 | -172 | -164.2 | 0 | 111.5 | A126 N129 Y133 R134 | A126-K131 HydrophobicContact CB-CB 3.99Å; A126-K131 HydrophobicContact CB-CG 4.38Å; A126-K131 PolarHBondContact O-N 3.22Å; N129-K131 HydrophobicContact CB-CD 4.25Å; N129-K131 HydrophobicContact CB-CG 4.16Å; N129-K131 PolarHBondContact O-N 3.48Å; K131-Y133 HydrophobicContact CB-CD1 4.02Å; K131-Y133 HydrophobicContact CB-CD2 4.32Å; K131-Y133 HydrophobicContact CB-CE1 3.66Å; K131-Y133 HydrophobicContact CB-CE2 3.98Å; K131-Y133 HydrophobicContact CB-CG 4.34Å; K131-Y133 HydrophobicContact CD-CE1 4.36Å; K131-Y133 HydrophobicContact CG-CE1 4.01Å; K131-Y133 HydrophobicContact CG-CE2 4.39Å; K131-Y133 PolarHBondContact O-N 3.27Å; K131-Y133 VanDerWaalsContact O-N 3.09Å; K131-R134 WeakPolarHBondContact O-CB 3.41Å; K131-R134 PolarHBondContact O-N 3.04Å | ||
| 132 | Y | 95.7 | Very high | 97.8 | Very high | 220 Ų | 220 | 53.9 Ų | 53.9 | 86% | 0.863 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -28.1 | 179.9 | 74.6 | -90.8 | 0 | 0 | 0 | 114.1 | R134 | Y132-R134 VanDerWaalsContact C-N 3.31Š|
| 133 | Y | 97.5 | Very high | 97.8 | Very high | 67 Ų | 67 | 53.3 Ų | 53.3 | 26% | 0.263 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 2.5 | -179.5 | 58.2 | -103.9 | 0 | 0 | 0 | 113.7 | H125 A126 K131 H135 F136 L137 | H125-Y133 PolarHBondContact CD2-OH 3.06Å; A126-Y133 HydrophobicContact CB-CD2 4.07Å; A126-Y133 HydrophobicContact CB-CE2 3.68Å; K131-Y133 HydrophobicContact CB-CD1 4.02Å; K131-Y133 HydrophobicContact CB-CD2 4.32Å; K131-Y133 HydrophobicContact CB-CE1 3.66Å; K131-Y133 HydrophobicContact CB-CE2 3.98Å; K131-Y133 HydrophobicContact CB-CG 4.34Å; K131-Y133 HydrophobicContact CD-CE1 4.36Å; K131-Y133 HydrophobicContact CG-CE1 4.01Å; K131-Y133 HydrophobicContact CG-CE2 4.39Å; K131-Y133 PolarHBondContact O-N 3.27Å; K131-Y133 VanDerWaalsContact O-N 3.09Å; Y133-H135 PolarHBondContact O-N 3.17Å; Y133-F136 WeakPolarHBondContact O-CB 3.45Å; Y133-F136 PolarHBondContact O-N 3.22Å; Y133-L137 HydrophobicContact CD2-CD1 3.55Å; Y133-L137 HydrophobicContact CD2-CG 4.07Å; Y133-L137 HydrophobicContact CE2-CD1 3.67Å; Y133-L137 PolarHBondContact O-N 3.39Å; Y133-L137 VanDerWaalsContact O-N 3.14Å |
| 134 | R | 97.8 | Very high | 97.7 | Very high | 19 Ų | 19 | 54.9 Ų | 54.9 | 7% | 0.072 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -49.5 | -52.5 | 178.6 | 172.6 | -168.5 | 165 | 163.3 | 2 | 112.4 | D47 L123 A126 V127 K131 Y132 F136 L137 Q138 | D47-R134 IonicContact OD1-CZ 3.13Å; D47-R134 IonicContact OD1-NH1 2.72Å; D47-R134 PolarHBondContact OD1-NH1 3.27Å; D47-R134 IonicContact OD1-NH2 2.68Å; D47-R134 PolarHBondContact OD1-NH2 3.34Å; D47-R134 IonicContact OD2-NH1 3.83Å; L123-R134 HydrophobicContact CD1-CG 3.82Å; L123-R134 VanDerWaalsContact CD1-O 3.28Å; L123-R134 WeakPolarHBondContact CD1-O 3.37Å; A126-R134 HydrophobicContact CB-CB 3.93Å; A126-R134 HydrophobicContact CB-CG 4.44Å; V127-R134 HydrophobicContact CG2-CG 4Å; K131-R134 WeakPolarHBondContact O-CB 3.41Å; K131-R134 PolarHBondContact O-N 3.04Å; Y132-R134 VanDerWaalsContact C-N 3.31Å; R134-F136 VanDerWaalsContact C-N 3.29Å; R134-F136 PolarHBondContact O-N 2.88Å; R134-L137 PolarHBondContact O-N 2.86Å; R134-Q138 WeakPolarHBondContact O-CB 3.31Å; R134-Q138 PolarHBondContact O-N 3.37Å |
| 135 | H | 97.9 | Very high | 97.7 | Very high | 21 Ų | 21 | 54.8 Ų | 54.8 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.4 | -28.2 | -175.9 | -71 | -61 | 0 | 0 | 0 | 113.1 | Y133 I139 Q193 S194 C197 L198 | Y133-H135 PolarHBondContact O-N 3.17Å; H135-I139 WeakPolarHBondContact O-CB 3.2Å; H135-I139 WeakPolarHBondContact O-CD1 3.4Å; H135-I139 WeakPolarHBondContact O-CG1 3.32Å; H135-I139 PolarHBondContact O-N 2.7Å; H135-Q193 PolarHBondContact CE1-OE1 3.26Å; H135-S194 PolarHBondContact ND1-OG 2.84Å; H135-C197 PolarHBondContact NE2-SG 3.05Å; H135-L198 HydrophobicContact CB-CD2 4.42Å; H135-L198 HydrophobicContact CB-CG 4.49Å |
| 136 | F | 98.5 | Very high | 97.7 | Very high | 144 Ų | 144 | 53.1 Ų | 53.1 | 63% | 0.632 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.9 | -48.1 | 171.4 | 172 | -100.9 | 0 | 0 | 0 | 111.1 | Y133 R134 T140 | Y133-F136 WeakPolarHBondContact O-CB 3.45Å; Y133-F136 PolarHBondContact O-N 3.22Å; R134-F136 VanDerWaalsContact C-N 3.29Å; R134-F136 PolarHBondContact O-N 2.88Å; F136-T140 WeakPolarHBondContact O-CB 3.36Å; F136-T140 PolarHBondContact O-N 3.42Å; F136-T140 PolarHBondContact O-OG1 3.39Å |
| 137 | L | 98.8 | Very high | 97.7 | Very high | 14 Ų | 14 | 59.8 Ų | 59.8 | 7% | 0.073 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 176.8 | -68.3 | 177.7 | 0 | 0 | 0 | 112 | L119 L122 L123 A126 Y133 R134 T140 L141 | L119-L137 HydrophobicContact CD2-CD2 3.92Å; L122-L137 HydrophobicContact CB-CD1 3.78Å; L123-L137 HydrophobicContact CB-CB 4.14Å; L123-L137 HydrophobicContact CB-CD1 4.5Å; L123-L137 HydrophobicContact CD1-CB 4.03Å; A126-L137 HydrophobicContact CB-CD1 4.22Å; Y133-L137 HydrophobicContact CD2-CD1 3.55Å; Y133-L137 HydrophobicContact CD2-CG 4.07Å; Y133-L137 HydrophobicContact CE2-CD1 3.67Å; Y133-L137 PolarHBondContact O-N 3.39Å; Y133-L137 VanDerWaalsContact O-N 3.14Å; R134-L137 PolarHBondContact O-N 2.86Å; L137-T140 PolarHBondContact O-N 3.41Å; L137-L141 WeakPolarHBondContact O-CB 3.33Å; L137-L141 PolarHBondContact O-N 3.41Å |
| 138 | Q | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61 | -46.1 | 178.6 | -169.7 | 174.4 | -53.2 | 0 | 0 | 112.1 | L123 R134 T140 S142 L190 S194 | L123-Q138 HydrophobicContact CD1-CB 3.96Å; L123-Q138 HydrophobicContact CD2-CB 3.81Å; L123-Q138 HydrophobicContact CD2-CG 4.11Å; R134-Q138 WeakPolarHBondContact O-CB 3.31Å; R134-Q138 PolarHBondContact O-N 3.37Å; Q138-T140 VanDerWaalsContact C-N 3.35Å; Q138-S142 WeakPolarHBondContact O-CB 3.4Å; Q138-S142 PolarHBondContact O-N 3.35Å; Q138-S142 PolarHBondContact O-OG 3.33Å; Q138-S142 VanDerWaalsContact O-OG 3.07Å; Q138-L190 HydrophobicContact CG-CB 3.91Å; Q138-L190 HydrophobicContact CG-CD1 4.39Å; Q138-L190 HydrophobicContact CG-CD2 4.43Å; Q138-L190 HydrophobicContact CG-CG 4.47Å; Q138-L190 PolarHBondContact NE2-O 2.97Å; Q138-S194 VanDerWaalsContact CD-OG 3.29Å; Q138-S194 PolarHBondContact NE2-OG 3.21Å |
| 139 | I | 98.8 | Very high | 97.7 | Very high | 55 Ų | 55 | 58.1 Ų | 58.1 | 28% | 0.282 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 175.7 | -69.3 | 165.6 | 0 | 0 | 0 | 110.8 | H135 S142 V143 L191 L198 | H135-I139 WeakPolarHBondContact O-CB 3.2Å; H135-I139 WeakPolarHBondContact O-CD1 3.4Å; H135-I139 WeakPolarHBondContact O-CG1 3.32Å; H135-I139 PolarHBondContact O-N 2.7Å; I139-S142 PolarHBondContact O-N 2.86Å; I139-V143 HydrophobicContact CG2-CG2 4.43Å; I139-V143 VanDerWaalsContact O-CG2 3.31Å; I139-V143 WeakPolarHBondContact O-CG2 3.37Å; I139-V143 PolarHBondContact O-N 3.32Å; I139-L191 HydrophobicContact CB-CD2 4.09Å; I139-L191 HydrophobicContact CG1-CD2 4.02Å; I139-L191 HydrophobicContact CG2-CD2 3.89Å; I139-L198 HydrophobicContact CD1-CD1 3.74Å |
| 140 | T | 98.7 | Very high | 97.8 | Very high | 45 Ų | 45 | 61.7 Ų | 61.7 | 28% | 0.276 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.6 | -51.9 | -178.4 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | L119 F136 L137 Q138 S142 V143 C144 | L119-T140 HydrophobicContact CD1-CG2 3.93Å; L119-T140 HydrophobicContact CD2-CG2 4.41Å; F136-T140 WeakPolarHBondContact O-CB 3.36Å; F136-T140 PolarHBondContact O-N 3.42Å; F136-T140 PolarHBondContact O-OG1 3.39Å; L137-T140 PolarHBondContact O-N 3.41Å; Q138-T140 VanDerWaalsContact C-N 3.35Å; T140-S142 PolarHBondContact O-N 3.45Å; T140-V143 PolarHBondContact O-N 3.28Å; T140-C144 PolarHBondContact O-N 2.89Å; T140-C144 PolarHBondContact O-SG 3.47Å; T140-C144 VanDerWaalsContact O-SG 3.39Å |
| 141 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58 | -48.4 | 177.6 | 177.7 | 64.2 | 0 | 0 | 0 | 111.2 | L54 D116 L119 A120 L123 L137 V143 C144 E145 | L54-L141 HydrophobicContact CD2-CD2 3.53Å; D116-L141 HydrophobicContact CB-CD1 3.64Å; L119-L141 HydrophobicContact CB-CB 4.36Å; L119-L141 HydrophobicContact CB-CD1 4.18Å; A120-L141 HydrophobicContact CB-CD1 4.46Å; A120-L141 HydrophobicContact CB-CD2 3.82Å; L123-L141 HydrophobicContact CD2-CD2 4.06Å; L137-L141 WeakPolarHBondContact O-CB 3.33Å; L137-L141 PolarHBondContact O-N 3.41Å; L141-V143 VanDerWaalsContact C-N 3.29Å; L141-V143 PolarHBondContact O-N 2.87Å; L141-C144 WeakPolarHBondContact O-CA 3.42Å; L141-C144 WeakPolarHBondContact O-CB 3.38Å; L141-C144 PolarHBondContact O-N 2.59Å; L141-E145 HydrophobicContact CD1-CG 4.27Å; L141-E145 HydrophobicContact CG-CG 4.39Å; L141-E145 WeakPolarHBondContact O-CG 3.34Å; L141-E145 PolarHBondContact O-N 3.29Å |
| 142 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.7 | -30.8 | -179.1 | -64.7 | 0 | 0 | 0 | 0 | 114.1 | Q138 I139 T140 E145 L146 P187 | Q138-S142 WeakPolarHBondContact O-CB 3.4Å; Q138-S142 PolarHBondContact O-N 3.35Å; Q138-S142 PolarHBondContact O-OG 3.33Å; Q138-S142 VanDerWaalsContact O-OG 3.07Å; I139-S142 PolarHBondContact O-N 2.86Å; T140-S142 PolarHBondContact O-N 3.45Å; S142-E145 VanDerWaalsContact CA-OE2 3.29Å; S142-E145 WeakPolarHBondContact CA-OE2 3.35Å; S142-L146 WeakPolarHBondContact O-CB 3.31Å; S142-L146 WeakPolarHBondContact O-CD1 3.43Å; S142-L146 WeakPolarHBondContact O-CG 3.49Å; S142-L146 PolarHBondContact O-N 3.09Å; S142-L146 VanDerWaalsContact O-N 3.16Å; S142-P187 PolarHBondContact OG-O 3Å |
| 143 | V | 98.6 | Very high | 98 | Very high | 77 Ų | 77 | 46 Ų | 46 | 47% | 0.467 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -70.8 | -40.7 | 172.1 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | I139 T140 L141 Y147 L191 | I139-V143 HydrophobicContact CG2-CG2 4.43Å; I139-V143 VanDerWaalsContact O-CG2 3.31Å; I139-V143 WeakPolarHBondContact O-CG2 3.37Å; I139-V143 PolarHBondContact O-N 3.32Å; T140-V143 PolarHBondContact O-N 3.28Å; L141-V143 VanDerWaalsContact C-N 3.29Å; L141-V143 PolarHBondContact O-N 2.87Å; V143-Y147 WeakPolarHBondContact O-CB 3.31Å; V143-Y147 PolarHBondContact O-N 3.12Å; V143-L191 HydrophobicContact CG2-CD2 4.35Å |
| 144 | C | 98.2 | Very high | 98 | Very high | 33 Ų | 33 | 43.7 Ų | 43.7 | 22% | 0.223 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.5 | -51.1 | 174 | -67.6 | 0 | 0 | 0 | 0 | 111.4 | D116 T140 L141 L146 Y147 G148 | D116-C144 WeakPolarHBondContact OD1-CB 3.35Å; D116-C144 PolarHBondContact OD1-SG 2.89Å; D116-C144 WeakPolarHBondContact OD2-CB 3.5Å; T140-C144 PolarHBondContact O-N 2.89Å; T140-C144 PolarHBondContact O-SG 3.47Å; T140-C144 VanDerWaalsContact O-SG 3.39Å; L141-C144 WeakPolarHBondContact O-CA 3.42Å; L141-C144 WeakPolarHBondContact O-CB 3.38Å; L141-C144 PolarHBondContact O-N 2.59Å; C144-L146 PolarHBondContact O-N 3.47Å; C144-Y147 PolarHBondContact O-N 2.91Å; C144-G148 PolarHBondContact O-N 3.02Å |
| 145 | E | 98 | Very high | 97.9 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.3 | -47.4 | -179.4 | -67.6 | 165.5 | 134.7 | 0 | 0 | 111.3 | W53 L141 S142 G148 G149 P187 | W53-E145 PolarHBondContact NE1-OE1 3.17Å; L141-E145 HydrophobicContact CD1-CG 4.27Å; L141-E145 HydrophobicContact CG-CG 4.39Å; L141-E145 WeakPolarHBondContact O-CG 3.34Å; L141-E145 PolarHBondContact O-N 3.29Å; S142-E145 VanDerWaalsContact CA-OE2 3.29Å; S142-E145 WeakPolarHBondContact CA-OE2 3.35Å; E145-G148 PolarHBondContact O-N 2.8Å; E145-G149 PolarHBondContact O-N 2.79Å; E145-P187 HydrophobicContact CB-CB 4.29Å; E145-P187 HydrophobicContact CB-CG 3.82Å; E145-P187 HydrophobicContact CG-CG 4.35Å; E145-P187 WeakPolarHBondContact OE2-CG 3.12Å |
| 146 | L | 98.5 | Very high | 97.9 | Very high | 47 Ų | 47 | 43.5 Ų | 43.5 | 25% | 0.246 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.2 | -40.2 | 179.5 | -70.5 | 172.1 | 0 | 0 | 0 | 112.8 | S142 C144 W150 V184 P187 V188 L191 | S142-L146 WeakPolarHBondContact O-CB 3.31Å; S142-L146 WeakPolarHBondContact O-CD1 3.43Å; S142-L146 WeakPolarHBondContact O-CG 3.49Å; S142-L146 PolarHBondContact O-N 3.09Å; S142-L146 VanDerWaalsContact O-N 3.16Å; C144-L146 PolarHBondContact O-N 3.47Å; L146-W150 WeakPolarHBondContact O-CB 3.15Å; L146-W150 PolarHBondContact O-N 2.89Å; L146-V184 HydrophobicContact CD2-CB 4.36Å; L146-V184 HydrophobicContact CD2-CG1 4.14Å; L146-P187 HydrophobicContact CD1-CB 4.29Å; L146-P187 HydrophobicContact CD2-CB 4.18Å; L146-P187 HydrophobicContact CG-CB 3.89Å; L146-V188 HydrophobicContact CD1-CG2 4.04Å; L146-V188 HydrophobicContact CD2-CG2 4.04Å; L146-L191 HydrophobicContact CD1-CD1 3.6Å |
| 147 | Y | 98.3 | Very high | 97.8 | Very high | 141 Ų | 141 | 44.5 Ų | 44.5 | 55% | 0.553 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -68.2 | -40.1 | 176.9 | -177.8 | -95.9 | 0 | 0 | 0 | 111.2 | V143 C144 W150 M151 | V143-Y147 WeakPolarHBondContact O-CB 3.31Å; V143-Y147 PolarHBondContact O-N 3.12Å; C144-Y147 PolarHBondContact O-N 2.91Å; Y147-W150 WeakPolarHBondContact O-CB 3.49Å; Y147-W150 PolarHBondContact O-N 2.9Å; Y147-M151 HydrophobicContact CD1-CG 3.99Å; Y147-M151 HydrophobicContact CD2-CG 4.49Å; Y147-M151 HydrophobicContact CE1-CG 3.5Å; Y147-M151 VanDerWaalsContact CE1-CG 3.5Å; Y147-M151 HydrophobicContact CE1-SD 4.5Å; Y147-M151 HydrophobicContact CE2-CG 4.06Å; Y147-M151 HydrophobicContact CE2-SD 4.37Å; Y147-M151 HydrophobicContact CG-CG 4.46Å; Y147-M151 WeakPolarHBondContact O-CB 3.31Å; Y147-M151 WeakPolarHBondContact O-CG 3.42Å; Y147-M151 PolarHBondContact O-N 3.44Å |
| 148 | G | 97.1 | Very high | 97.8 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 9% | 0.093 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.1 | -54.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | C144 E145 W150 M151 T152 | C144-G148 PolarHBondContact O-N 3.02Å; E145-G148 PolarHBondContact O-N 2.8Å; G148-W150 VanDerWaalsContact C-N 3.29Å; G148-W150 PolarHBondContact O-N 3.33Å; G148-M151 CarbonylContact O-C 3.59Å; G148-M151 PolarHBondContact O-N 2.88Å; G148-T152 PolarHBondContact O-N 2.91Å; G148-T152 PolarHBondContact O-OG1 3.36Å; G148-T152 VanDerWaalsContact O-OG1 3.12Å |
| 149 | G | 96.3 | Very high | 97.7 | Very high | 23 Ų | 23 | 55.8 Ų | 55.8 | 24% | 0.237 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.1 | -40.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E145 T152 F153 | E145-G149 PolarHBondContact O-N 2.79Å; G149-T152 PolarHBondContact O-N 2.79Å; G149-F153 VanDerWaalsContact O-CD2 3.26Å; G149-F153 WeakPolarHBondContact O-CD2 3.33Å; G149-F153 PolarHBondContact O-N 3.22Å |
| 150 | W | 97.4 | Very high | 97.6 | Very high | 153 Ų | 153 | 56.2 Ų | 56.2 | 58% | 0.58 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61 | -47 | 174.1 | -177.3 | -96.1 | 0 | 0 | 0 | 112.2 | L146 Y147 G148 T152 F153 C154 | L146-W150 WeakPolarHBondContact O-CB 3.15Å; L146-W150 PolarHBondContact O-N 2.89Å; Y147-W150 WeakPolarHBondContact O-CB 3.49Å; Y147-W150 PolarHBondContact O-N 2.9Å; G148-W150 VanDerWaalsContact C-N 3.29Å; G148-W150 PolarHBondContact O-N 3.33Å; W150-T152 VanDerWaalsContact C-N 3.3Å; W150-T152 PolarHBondContact O-N 3.46Å; W150-F153 PolarHBondContact O-N 2.93Å; W150-C154 HydrophobicContact CD2-CB 3.96Å; W150-C154 HydrophobicContact CG-CB 4.21Å; W150-C154 HydrophobicContact CZ2-CB 3.94Å; W150-C154 VanDerWaalsContact CZ2-SG 3.5Å; W150-C154 WeakPolarHBondContact O-CB 3.21Å; W150-C154 PolarHBondContact O-N 3.49Å |
| 151 | M | 97.5 | Very high | 97.5 | Very high | 53 Ų | 53 | 55.8 Ų | 55.8 | 26% | 0.261 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -72.3 | -21.8 | -179.2 | -70.5 | -58.7 | -59.4 | 0 | 0 | 113.4 | L108 Y147 G148 P155 | L108-M151 HydrophobicContact CD1-CB 3.5Å; L108-M151 VanDerWaalsContact CD1-CB 3.5Å; L108-M151 HydrophobicContact CD2-CB 3.85Å; L108-M151 HydrophobicContact CD2-CG 4.46Å; L108-M151 HydrophobicContact CG-CB 4.26Å; Y147-M151 HydrophobicContact CD1-CG 3.99Å; Y147-M151 HydrophobicContact CD2-CG 4.49Å; Y147-M151 HydrophobicContact CE1-CG 3.5Å; Y147-M151 VanDerWaalsContact CE1-CG 3.5Å; Y147-M151 HydrophobicContact CE1-SD 4.5Å; Y147-M151 HydrophobicContact CE2-CG 4.06Å; Y147-M151 HydrophobicContact CE2-SD 4.37Å; Y147-M151 HydrophobicContact CG-CG 4.46Å; Y147-M151 WeakPolarHBondContact O-CB 3.31Å; Y147-M151 WeakPolarHBondContact O-CG 3.42Å; Y147-M151 PolarHBondContact O-N 3.44Å; G148-M151 CarbonylContact O-C 3.59Å; G148-M151 PolarHBondContact O-N 2.88Å; M151-P155 HydrophobicContact CE-CG 4.12Å; M151-P155 WeakPolarHBondContact O-CD 3.42Å; M151-P155 VanDerWaalsContact O-CG 3.23Å; M151-P155 WeakPolarHBondContact O-CG 3.22Å |
| 152 | T | 96.4 | Very high | 97.4 | Very high | 6 Ų | 6 | 59.9 Ų | 59.9 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.5 | -44.7 | 170.6 | -65.6 | 0 | 0 | 0 | 0 | 111.2 | R97 I105 G148 G149 W150 | R97-T152 PolarHBondContact NH1-O 3.04Å; R97-T152 PolarHBondContact NH2-O 3.03Å; I105-T152 HydrophobicContact CD1-CG2 3.79Å; G148-T152 PolarHBondContact O-N 2.91Å; G148-T152 PolarHBondContact O-OG1 3.36Å; G148-T152 VanDerWaalsContact O-OG1 3.12Å; G149-T152 PolarHBondContact O-N 2.79Å; W150-T152 VanDerWaalsContact C-N 3.3Å; W150-T152 PolarHBondContact O-N 3.46Å |
| 153 | F | 96.9 | Very high | 97.3 | Very high | 50 Ų | 50 | 63.4 Ų | 63.4 | 22% | 0.219 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -101.8 | -37.7 | -171.9 | -64.8 | -67.5 | 0 | 0 | 0 | 115.2 | G149 W150 D156 W157 L164 L176 N180 | G149-F153 VanDerWaalsContact O-CD2 3.26Å; G149-F153 WeakPolarHBondContact O-CD2 3.33Å; G149-F153 PolarHBondContact O-N 3.22Å; W150-F153 PolarHBondContact O-N 2.93Å; F153-D156 PolarHBondContact O-N 2.6Å; F153-W157 WeakPolarHBondContact O-CB 3.29Å; F153-W157 PolarHBondContact O-N 3.22Å; F153-L164 HydrophobicContact CD1-CD1 4.2Å; F153-L176 HydrophobicContact CE1-CD2 4.08Å; F153-N180 HydrophobicContact CE2-CB 3.75Å; F153-N180 WeakPolarHBondContact CE2-OD1 3.5Å; F153-N180 HydrophobicContact CZ-CB 4.02Å; F153-N180 WeakPolarHBondContact CZ-OD1 3.41Å |
| 154 | C | 97.6 | Very high | 97.2 | Very high | 18 Ų | 18 | 61.2 Ų | 61.2 | 12% | 0.122 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.4 | -46.2 | -173.4 | 179.3 | 0 | 0 | 0 | 0 | 113 | W150 D156 W157 L158 | W150-C154 HydrophobicContact CD2-CB 3.96Å; W150-C154 HydrophobicContact CG-CB 4.21Å; W150-C154 HydrophobicContact CZ2-CB 3.94Å; W150-C154 VanDerWaalsContact CZ2-SG 3.5Å; W150-C154 WeakPolarHBondContact O-CB 3.21Å; W150-C154 PolarHBondContact O-N 3.49Å; C154-D156 VanDerWaalsContact C-N 3.29Å; C154-D156 PolarHBondContact O-N 3.1Å; C154-W157 PolarHBondContact O-N 2.89Å; C154-L158 VanDerWaalsContact O-CG 3.31Å; C154-L158 WeakPolarHBondContact O-CG 3.41Å; C154-L158 PolarHBondContact O-N 3.1Å |
| 155 | P | 97.3 | Very high | 97.1 | Very high | 33 Ų | 33 | 62.3 Ų | 62.3 | 21% | 0.214 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.8 | -41.5 | 178.6 | -26.7 | 37.3 | 0 | 0 | 0 | 112.9 | M151 L158 | M151-P155 HydrophobicContact CE-CG 4.12Å; M151-P155 WeakPolarHBondContact O-CD 3.42Å; M151-P155 VanDerWaalsContact O-CG 3.23Å; M151-P155 WeakPolarHBondContact O-CG 3.22Å; P155-L158 PolarHBondContact O-N 2.86Å |
| 156 | D | 96.5 | Very high | 97 | Very high | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -72.1 | -39.2 | 178.9 | -158.4 | 57.6 | 0 | 0 | 0 | 111.9 | R97 F153 C154 L158 L159 G160 S161 H163 | R97-D156 IonicContact NE-OD1 3.11Å; R97-D156 IonicContact NH2-OD2 3.4Å; F153-D156 PolarHBondContact O-N 2.6Å; C154-D156 VanDerWaalsContact C-N 3.29Å; C154-D156 PolarHBondContact O-N 3.1Å; D156-L158 VanDerWaalsContact C-N 3.31Å; D156-L158 PolarHBondContact O-N 3.08Å; D156-L159 CarbonylContact O-C 3.59Å; D156-L159 WeakPolarHBondContact O-CA 3.43Å; D156-L159 WeakPolarHBondContact O-CB 3.25Å; D156-L159 PolarHBondContact O-N 3.42Å; D156-G160 PolarHBondContact O-N 3.24Å; D156-S161 WeakPolarHBondContact O-CA 3.3Å; D156-S161 PolarHBondContact O-N 2.8Å; D156-S161 VanDerWaalsContact OD2-CA 3.25Å; D156-S161 WeakPolarHBondContact OD2-CA 3.45Å; D156-H163 IonicContact OD1-CE1 3.35Å; D156-H163 IonicContact OD1-CG 3.34Å; D156-H163 IonicContact OD1-ND1 3.09Å; D156-H163 PolarHBondContact OD1-ND1 2.99Å |
| 157 | W | 96.9 | Very high | 96.7 | Very high | 164 Ų | 164 | 68 Ų | 68 | 62% | 0.621 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.3 | -40.5 | 173.4 | 171.3 | 59 | 0 | 0 | 0 | 112.7 | F153 C154 L159 G160 S161 | F153-W157 WeakPolarHBondContact O-CB 3.29Å; F153-W157 PolarHBondContact O-N 3.22Å; C154-W157 PolarHBondContact O-N 2.89Å; W157-L159 PolarHBondContact O-N 2.86Å; W157-G160 PolarHBondContact O-N 3.44Å; W157-S161 WeakPolarHBondContact CA-OG 3.36Å |
| 158 | L | 97.7 | Very high | 96.4 | Very high | 125 Ų | 125 | 62.8 Ų | 62.8 | 65% | 0.654 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.3 | -23.1 | 175 | -68.5 | 173.9 | 0 | 0 | 0 | 112.9 | C154 P155 D156 | C154-L158 VanDerWaalsContact O-CG 3.31Å; C154-L158 WeakPolarHBondContact O-CG 3.41Å; C154-L158 PolarHBondContact O-N 3.1Å; P155-L158 PolarHBondContact O-N 2.86Å; D156-L158 VanDerWaalsContact C-N 3.31Å; D156-L158 PolarHBondContact O-N 3.08Å |
| 159 | L | 96.9 | Very high | 96.2 | Very high | 126 Ų | 126 | 66.6 Ų | 66.6 | 66% | 0.66 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 3.7 | 174.7 | -60.1 | 176.6 | 0 | 0 | 0 | 113.2 | D156 W157 P162 | D156-L159 CarbonylContact O-C 3.59Å; D156-L159 WeakPolarHBondContact O-CA 3.43Å; D156-L159 WeakPolarHBondContact O-CB 3.25Å; D156-L159 PolarHBondContact O-N 3.42Å; W157-L159 PolarHBondContact O-N 2.86Å; L159-P162 HydrophobicContact CB-CG 4.25Å |
| 160 | G | 96.8 | Very high | 96 | Very high | 64 Ų | 64 | 66.8 Ų | 66.8 | 66% | 0.66 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | 22.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D156 W157 | D156-G160 PolarHBondContact O-N 3.24Å; W157-G160 PolarHBondContact O-N 3.44Å |
| 161 | S | 96.4 | Very high | 95.9 | Very high | 37 Ų | 37 | 61.1 Ų | 61.1 | 26% | 0.259 | 35% | 0.346 | S | S | . | . | trans | 53.9 | 47.3 | 178.9 | -61.5 | 0 | 0 | 0 | 0 | 115.2 | D156 W157 H163 L164 | D156-S161 WeakPolarHBondContact O-CA 3.3Å; D156-S161 PolarHBondContact O-N 2.8Å; D156-S161 VanDerWaalsContact OD2-CA 3.25Å; D156-S161 WeakPolarHBondContact OD2-CA 3.45Å; W157-S161 WeakPolarHBondContact CA-OG 3.36Å; S161-H163 PolarHBondContact O-N 3.38Å; S161-H163 VanDerWaalsContact O-N 3.15Å; S161-L164 PolarHBondContact O-N 3.42Å | ||
| 162 | P | 96.9 | Very high | 95.7 | Very high | 86 Ų | 86 | 60.9 Ų | 60.9 | 56% | 0.558 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19 | -173.2 | 29.1 | -36.3 | 0 | 0 | 0 | 113.8 | L159 | L159-P162 HydrophobicContact CB-CG 4.25Š|
| 163 | H | 97.3 | Very high | 95.7 | Very high | 73 Ų | 73 | 68.2 Ų | 68.2 | 34% | 0.338 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -10.7 | -177.6 | -56.8 | 106.8 | 0 | 0 | 0 | 113.7 | S96 R97 D156 S161 | S96-H163 PolarHBondContact N-O 2.99Å; S96-H163 VanDerWaalsContact N-O 3.14Å; S96-H163 PolarHBondContact OG-CD2 3.26Å; R97-H163 HydrophobicContact CG-CB 3.8Å; D156-H163 IonicContact OD1-CE1 3.35Å; D156-H163 IonicContact OD1-CG 3.34Å; D156-H163 IonicContact OD1-ND1 3.09Å; D156-H163 PolarHBondContact OD1-ND1 2.99Å; S161-H163 PolarHBondContact O-N 3.38Å; S161-H163 VanDerWaalsContact O-N 3.15Å |
| 164 | L | 97 | Very high | 95.6 | Very high | 31 Ų | 31 | 68 Ų | 68 | 16% | 0.162 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -92.7 | 119.6 | -177.8 | -59.7 | -177.8 | 0 | 0 | 0 | 111.2 | A94 D95 F153 S161 T166 L176 | A94-L164 CarbonylContact O-C 3.37Å; A94-L164 WeakPolarHBondContact O-CA 3.26Å; D95-L164 HydrophobicContact CB-CD2 3.66Å; D95-L164 VanDerWaalsContact CG-CD2 3.46Å; F153-L164 HydrophobicContact CD1-CD1 4.2Å; S161-L164 PolarHBondContact O-N 3.42Å; L164-T166 HydrophobicContact CB-CG2 4.42Å; L164-T166 PolarHBondContact O-N 2.93Å; L164-L176 HydrophobicContact CB-CD1 4.47Å; L164-L176 HydrophobicContact CD2-CD1 4.46Å; L164-L176 HydrophobicContact CD2-CD2 4.08Å |
| 165 | D | 96.1 | Very high | 95.5 | Very high | 56 Ų | 56 | 67.5 Ų | 67.5 | 30% | 0.299 | 37% | 0.371 | S | S | . | . | trans | -87.9 | 105.1 | 169.3 | -174.4 | 2.4 | 0 | 0 | 0 | 110.4 | K93 A94 S167 Y171 | K93-D165 WeakPolarHBondContact O-CB 3.43Å; A94-D165 PolarHBondContact O-N 3.46Å; D165-S167 VanDerWaalsContact OD1-CB 3.28Å; D165-S167 WeakPolarHBondContact OD1-CB 3.35Å; D165-S167 PolarHBondContact OD1-N 3.46Å; D165-S167 PolarHBondContact OD1-OG 3.03Å; D165-Y171 HydrophobicContact CB-CD2 4.17Å; D165-Y171 WeakPolarHBondContact O-CB 3.28Å | ||
| 166 | T | 94.8 | Very high | 95.4 | Very high | 78 Ų | 78 | 66.6 Ų | 66.6 | 48% | 0.479 | 37% | 0.365 | S | S | . | . | trans | -103.5 | 4.3 | 177.6 | 60.3 | 0 | 0 | 0 | 0 | 113.2 | L164 L172 L176 | L164-T166 HydrophobicContact CB-CG2 4.42Å; L164-T166 PolarHBondContact O-N 2.93Å; T166-L172 HydrophobicContact CG2-CD1 3.97Å; T166-L176 HydrophobicContact CG2-CD1 4.28Å | ||
| 167 | S | 93.1 | Very high | 95.4 | Very high | 99 Ų | 99 | 69.6 Ų | 69.6 | 69% | 0.692 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -75.7 | -29 | -177.7 | 72.2 | 0 | 0 | 0 | 0 | 112.7 | D165 | D165-S167 VanDerWaalsContact OD1-CB 3.28Å; D165-S167 WeakPolarHBondContact OD1-CB 3.35Å; D165-S167 PolarHBondContact OD1-N 3.46Å; D165-S167 PolarHBondContact OD1-OG 3.03Å |
| 168 | N | 91.1 | Very high | 95.4 | Very high | 30 Ų | 30 | 67.2 Ų | 67.2 | 16% | 0.16 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -91.6 | 124.2 | 176.2 | -172.9 | -40.8 | 0 | 0 | 0 | 110.7 | L170 Y171 L172 | N168-L170 VanDerWaalsContact C-N 3.26Å; N168-L170 PolarHBondContact O-N 2.9Å; N168-L170 VanDerWaalsContact OD1-CB 3.29Å; N168-L170 WeakPolarHBondContact OD1-CB 3.32Å; N168-L170 PolarHBondContact OD1-N 3.33Å; N168-Y171 HydrophobicContact CB-CD1 4.33Å; N168-Y171 HydrophobicContact CB-CD2 3.41Å; N168-Y171 VanDerWaalsContact CB-CD2 3.41Å; N168-Y171 HydrophobicContact CB-CE2 3.73Å; N168-Y171 HydrophobicContact CB-CG 3.7Å; N168-Y171 PolarHBondContact O-N 3.25Å; N168-Y171 VanDerWaalsContact O-N 3.1Å; N168-L172 PolarHBondContact O-N 3.47Å |
| 169 | P | 92.8 | Very high | 95.3 | Very high | 90 Ų | 90 | 63 Ų | 63 | 58% | 0.584 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -58.1 | -32.2 | 178.7 | -26.5 | 34.9 | 0 | 0 | 0 | 114.8 | W173 | P169-W173 WeakPolarHBondContact O-CB 3.48Å; P169-W173 PolarHBondContact O-N 2.89Å |
| 170 | L | 92.4 | Very high | 95.3 | Very high | 26 Ų | 26 | 58.8 Ų | 58.8 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | I | π-helix | trans | -65.5 | -45.8 | 175.9 | 179.7 | 68.1 | 0 | 0 | 0 | 110.6 | T13 L14 N168 V174 Y175 | T13-L170 VanDerWaalsContact O-CD2 3.31Å; T13-L170 WeakPolarHBondContact O-CD2 3.49Å; L14-L170 HydrophobicContact CD1-CD1 4.25Å; L14-L170 HydrophobicContact CD1-CD2 4Å; N168-L170 VanDerWaalsContact C-N 3.26Å; N168-L170 PolarHBondContact O-N 2.9Å; N168-L170 VanDerWaalsContact OD1-CB 3.29Å; N168-L170 WeakPolarHBondContact OD1-CB 3.32Å; N168-L170 PolarHBondContact OD1-N 3.33Å; L170-V174 HydrophobicContact CD1-CB 3.88Å; L170-V174 HydrophobicContact CD1-CG1 4.33Å; L170-V174 HydrophobicContact CD1-CG2 3.82Å; L170-V174 WeakPolarHBondContact O-CA 3.48Å; L170-V174 WeakPolarHBondContact O-CB 3.4Å; L170-V174 PolarHBondContact O-N 3.22Å; L170-Y175 HydrophobicContact CD1-CE1 4.25Å; L170-Y175 HydrophobicContact CD2-CE1 4.38Å; L170-Y175 HydrophobicContact CG-CE1 4.12Å; L170-Y175 PolarHBondContact O-N 3.39Å; L170-Y175 VanDerWaalsContact O-N 3.1Å |
| 171 | Y | 94.5 | Very high | 95.3 | Very high | 34 Ų | 34 | 57.1 Ų | 57.1 | 13% | 0.133 | 32% | 0.315 | C | S | . | . | I | π-helix | trans | -64.9 | -49 | -179.5 | -59.4 | -10.6 | 0 | 0 | 0 | 110.1 | K93 A94 D165 N168 Y175 L176 | K93-Y171 HydrophobicContact CB-CD2 4.5Å; K93-Y171 HydrophobicContact CB-CE1 4.2Å; K93-Y171 HydrophobicContact CB-CE2 3.88Å; K93-Y171 WeakPolarHBondContact CD-OH 3.46Å; A94-Y171 HydrophobicContact CB-CD1 4.49Å; A94-Y171 HydrophobicContact CB-CG 4.03Å; D165-Y171 HydrophobicContact CB-CD2 4.17Å; D165-Y171 WeakPolarHBondContact O-CB 3.28Å; N168-Y171 HydrophobicContact CB-CD1 4.33Å; N168-Y171 HydrophobicContact CB-CD2 3.41Å; N168-Y171 VanDerWaalsContact CB-CD2 3.41Å; N168-Y171 HydrophobicContact CB-CE2 3.73Å; N168-Y171 HydrophobicContact CB-CG 3.7Å; N168-Y171 PolarHBondContact O-N 3.25Å; N168-Y171 VanDerWaalsContact O-N 3.1Å; Y171-Y175 AromaticContact CD1-CD2 3.81Å; Y171-Y175 HydrophobicContact CD1-CD2 3.81Å; Y171-Y175 AromaticContact CD1-CE2 3.87Å; Y171-Y175 HydrophobicContact CD1-CE2 3.87Å; Y171-Y175 HydrophobicContact CE1-CD2 4.48Å; Y171-Y175 HydrophobicContact CE1-CE2 4.11Å; Y171-Y175 WeakPolarHBondContact O-CB 3.35Å; Y171-Y175 PolarHBondContact O-N 2.95Å; Y171-L176 WeakPolarHBondContact O-CG 3.35Å; Y171-L176 PolarHBondContact O-N 3.49Å |
| 172 | L | 95.1 | Very high | 95.4 | Very high | 48 Ų | 48 | 57.4 Ų | 57.4 | 25% | 0.251 | 31% | 0.313 | S | S | . | . | I | π-helix | trans | -64.6 | -59.3 | 179.6 | 178.1 | 59.1 | 0 | 0 | 0 | 112.3 | T166 N168 V177 | T166-L172 HydrophobicContact CG2-CD1 3.97Å; N168-L172 PolarHBondContact O-N 3.47Å; L172-V177 HydrophobicContact CD1-CG2 4.23Å; L172-V177 WeakPolarHBondContact O-CB 3.45Å; L172-V177 VanDerWaalsContact O-CG2 3.26Å; L172-V177 WeakPolarHBondContact O-CG2 3.39Å; L172-V177 PolarHBondContact O-N 2.9Å |
| 173 | W | 95.6 | Very high | 95.4 | Very high | 161 Ų | 161 | 55.1 Ų | 55.1 | 61% | 0.61 | 29% | 0.293 | S | S | * | . | I | π-helix | trans | -83.7 | -34.1 | -166.3 | -71 | 109.8 | 0 | 0 | 0 | 113.8 | P169 V177 F178 | P169-W173 WeakPolarHBondContact O-CB 3.48Å; P169-W173 PolarHBondContact O-N 2.89Å; W173-V177 HydrophobicContact CE3-CB 4.05Å; W173-V177 HydrophobicContact CE3-CG1 3.93Å; W173-V177 HydrophobicContact CE3-CG2 4.05Å; W173-V177 HydrophobicContact CZ3-CG1 4.08Å; W173-V177 HydrophobicContact CZ3-CG2 4.26Å; W173-F178 VanDerWaalsContact O-CB 3.31Å; W173-F178 WeakPolarHBondContact O-CB 3.46Å; W173-F178 PolarHBondContact O-N 3.2Å |
| 174 | V | 94.3 | Very high | 95.5 | Very high | 46 Ų | 46 | 55.2 Ų | 55.2 | 28% | 0.279 | 30% | 0.299 | S | S | . | . | I | π-helix | trans | -93.9 | -55.4 | -177.3 | -174.1 | 0 | 0 | 0 | 0 | 110.2 | M22 L170 F178 F179 | M22-V174 HydrophobicContact SD-CG1 4.21Å; L170-V174 HydrophobicContact CD1-CB 3.88Å; L170-V174 HydrophobicContact CD1-CG1 4.33Å; L170-V174 HydrophobicContact CD1-CG2 3.82Å; L170-V174 WeakPolarHBondContact O-CA 3.48Å; L170-V174 WeakPolarHBondContact O-CB 3.4Å; L170-V174 PolarHBondContact O-N 3.22Å; V174-F178 WeakPolarHBondContact O-CB 3.35Å; V174-F179 HydrophobicContact CG1-CE2 4.04Å; V174-F179 WeakPolarHBondContact O-CD2 3.3Å; V174-F179 PolarHBondContact O-N 2.95Å |
| 175 | Y | 95.1 | Very high | 95.6 | Very high | 7 Ų | 7 | 58.6 Ų | 58.6 | 3% | 0.027 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -72.5 | -52 | -173.8 | -64 | -2.8 | 0 | 0 | 0 | 111.6 | S18 M22 E90 Y91 A94 L170 Y171 N180 | S18-Y175 WeakPolarHBondContact CB-OH 3.43Å; S18-Y175 PolarHBondContact OG-OH 3.3Å; S18-Y175 VanDerWaalsContact OG-OH 3.06Å; M22-Y175 HydrophobicContact CE-CE1 4.34Å; E90-Y175 HydrophobicContact CG-CE2 4.1Å; E90-Y175 WeakPolarHBondContact CG-OH 3.44Å; E90-Y175 PolarHBondContact OE1-OH 3.48Å; Y91-Y175 HydrophobicContact CD2-CD2 4.45Å; Y91-Y175 HydrophobicContact CD2-CG 4.35Å; A94-Y175 HydrophobicContact CB-CD2 4.01Å; L170-Y175 HydrophobicContact CD1-CE1 4.25Å; L170-Y175 HydrophobicContact CD2-CE1 4.38Å; L170-Y175 HydrophobicContact CG-CE1 4.12Å; L170-Y175 PolarHBondContact O-N 3.39Å; L170-Y175 VanDerWaalsContact O-N 3.1Å; Y171-Y175 AromaticContact CD1-CD2 3.81Å; Y171-Y175 HydrophobicContact CD1-CD2 3.81Å; Y171-Y175 AromaticContact CD1-CE2 3.87Å; Y171-Y175 HydrophobicContact CD1-CE2 3.87Å; Y171-Y175 HydrophobicContact CE1-CD2 4.48Å; Y171-Y175 HydrophobicContact CE1-CE2 4.11Å; Y171-Y175 WeakPolarHBondContact O-CB 3.35Å; Y171-Y175 PolarHBondContact O-N 2.95Å; Y175-N180 PolarHBondContact O-ND2 3.32Å |
| 176 | L | 96.6 | Very high | 95.7 | Very high | 14 Ų | 14 | 57.4 Ų | 57.4 | 7% | 0.073 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -81.1 | -56 | -176.7 | -61.9 | 173.3 | 0 | 0 | 0 | 111.7 | A94 D95 F153 L164 T166 Y171 N180 | A94-L176 HydrophobicContact CB-CD1 4.47Å; A94-L176 HydrophobicContact CB-CD2 4.27Å; A94-L176 HydrophobicContact CB-CG 4.14Å; D95-L176 HydrophobicContact CB-CD2 4.43Å; F153-L176 HydrophobicContact CE1-CD2 4.08Å; L164-L176 HydrophobicContact CB-CD1 4.47Å; L164-L176 HydrophobicContact CD2-CD1 4.46Å; L164-L176 HydrophobicContact CD2-CD2 4.08Å; T166-L176 HydrophobicContact CG2-CD1 4.28Å; Y171-L176 WeakPolarHBondContact O-CG 3.35Å; Y171-L176 PolarHBondContact O-N 3.49Å; L176-N180 VanDerWaalsContact O-CB 3.24Å; L176-N180 WeakPolarHBondContact O-CB 3.37Å; L176-N180 PolarHBondContact O-ND2 3.37Å |
| 177 | V | 96.5 | Very high | 95.9 | Very high | 67 Ų | 67 | 53.7 Ų | 53.7 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | I | π-helix | trans | -77 | -52.9 | -172.1 | 172.9 | 0 | 0 | 0 | 0 | 113.1 | L172 W173 G181 | L172-V177 HydrophobicContact CD1-CG2 4.23Å; L172-V177 WeakPolarHBondContact O-CB 3.45Å; L172-V177 VanDerWaalsContact O-CG2 3.26Å; L172-V177 WeakPolarHBondContact O-CG2 3.39Å; L172-V177 PolarHBondContact O-N 2.9Å; W173-V177 HydrophobicContact CE3-CB 4.05Å; W173-V177 HydrophobicContact CE3-CG1 3.93Å; W173-V177 HydrophobicContact CE3-CG2 4.05Å; W173-V177 HydrophobicContact CZ3-CG1 4.08Å; W173-V177 HydrophobicContact CZ3-CG2 4.26Å; V177-G181 VanDerWaalsContact O-CA 3.23Å; V177-G181 WeakPolarHBondContact O-CA 3.35Å; V177-G181 PolarHBondContact O-N 3.32Å |
| 178 | F | 96.6 | Very high | 96.1 | Very high | 113 Ų | 113 | 51.9 Ų | 51.9 | 50% | 0.496 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -67.2 | -56.5 | -172.6 | 172.1 | -100.2 | 0 | 0 | 0 | 112.2 | W173 V174 G181 L182 | W173-F178 VanDerWaalsContact O-CB 3.31Å; W173-F178 WeakPolarHBondContact O-CB 3.46Å; W173-F178 PolarHBondContact O-N 3.2Å; V174-F178 WeakPolarHBondContact O-CB 3.35Å; F178-G181 PolarHBondContact O-N 3.16Å; F178-L182 HydrophobicContact CE1-CD1 4.08Å; F178-L182 HydrophobicContact CE2-CD2 4.39Å; F178-L182 HydrophobicContact CZ-CD1 4.05Å; F178-L182 WeakPolarHBondContact O-CG 3.3Å; F178-L182 PolarHBondContact O-N 3.32Å |
| 179 | F | 95.3 | Very high | 96.5 | Very high | 36 Ų | 36 | 55.4 Ų | 55.4 | 16% | 0.158 | 29% | 0.292 | C | S | . | . | I | π-helix | trans | -62.3 | -52.6 | -176.6 | -78 | -70.3 | 0 | 0 | 0 | 111.9 | M22 C25 V174 G181 L182 W183 | M22-F179 HydrophobicContact CE-CE2 3.48Å; M22-F179 VanDerWaalsContact CE-CE2 3.48Å; M22-F179 HydrophobicContact CE-CZ 3.51Å; M22-F179 HydrophobicContact SD-CE2 3.7Å; M22-F179 HydrophobicContact SD-CZ 3.71Å; C25-F179 HydrophobicContact CB-CE1 4.24Å; C25-F179 HydrophobicContact CB-CZ 4.31Å; V174-F179 HydrophobicContact CG1-CE2 4.04Å; V174-F179 WeakPolarHBondContact O-CD2 3.3Å; V174-F179 PolarHBondContact O-N 2.95Å; F179-G181 VanDerWaalsContact C-N 3.26Å; F179-G181 PolarHBondContact O-N 2.69Å; F179-L182 WeakPolarHBondContact O-CB 3.46Å; F179-L182 PolarHBondContact O-N 2.89Å; F179-L182 VanDerWaalsContact O-N 3.12Å; F179-W183 VanDerWaalsContact O-CE3 3.28Å |
| 180 | N | 97.3 | Very high | 96.8 | Very high | 38 Ų | 38 | 51.6 Ų | 51.6 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.8 | -31.3 | 178.3 | -59.1 | -88 | 0 | 0 | 0 | 112.3 | Y91 F153 Y175 L176 L182 W183 V184 | Y91-N180 PolarHBondContact OH-ND2 3Å; F153-N180 HydrophobicContact CE2-CB 3.75Å; F153-N180 WeakPolarHBondContact CE2-OD1 3.5Å; F153-N180 HydrophobicContact CZ-CB 4.02Å; F153-N180 WeakPolarHBondContact CZ-OD1 3.41Å; Y175-N180 PolarHBondContact O-ND2 3.32Å; L176-N180 VanDerWaalsContact O-CB 3.24Å; L176-N180 WeakPolarHBondContact O-CB 3.37Å; L176-N180 PolarHBondContact O-ND2 3.37Å; N180-L182 PolarHBondContact O-N 3.11Å; N180-W183 PolarHBondContact O-N 2.81Å; N180-V184 PolarHBondContact O-N 3.32Å |
| 181 | G | 97.5 | Very high | 97.1 | Very high | 30 Ų | 30 | 52.5 Ų | 52.5 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.7 | -27.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V177 F178 F179 V184 L185 | V177-G181 VanDerWaalsContact O-CA 3.23Å; V177-G181 WeakPolarHBondContact O-CA 3.35Å; V177-G181 PolarHBondContact O-N 3.32Å; F178-G181 PolarHBondContact O-N 3.16Å; F179-G181 VanDerWaalsContact C-N 3.26Å; F179-G181 PolarHBondContact O-N 2.69Å; G181-V184 PolarHBondContact O-N 3.25Å; G181-L185 VanDerWaalsContact O-CB 3.32Å; G181-L185 WeakPolarHBondContact O-CB 3.44Å; G181-L185 PolarHBondContact O-N 3.28Å |
| 182 | L | 97.5 | Very high | 97.3 | Very high | 42 Ų | 42 | 54.5 Ų | 54.5 | 22% | 0.22 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 173.3 | -64.6 | 174.7 | 0 | 0 | 0 | 111.4 | W53 F178 F179 N180 V184 L185 V186 | W53-L182 HydrophobicContact CH2-CB 4.36Å; W53-L182 HydrophobicContact CZ3-CB 4.24Å; F178-L182 HydrophobicContact CE1-CD1 4.08Å; F178-L182 HydrophobicContact CE2-CD2 4.39Å; F178-L182 HydrophobicContact CZ-CD1 4.05Å; F178-L182 WeakPolarHBondContact O-CG 3.3Å; F178-L182 PolarHBondContact O-N 3.32Å; F179-L182 WeakPolarHBondContact O-CB 3.46Å; F179-L182 PolarHBondContact O-N 2.89Å; F179-L182 VanDerWaalsContact O-N 3.12Å; N180-L182 PolarHBondContact O-N 3.11Å; L182-V184 PolarHBondContact O-N 3.25Å; L182-L185 PolarHBondContact O-N 2.93Å; L182-V186 PolarHBondContact O-N 3.4Å |
| 183 | W | 97.8 | Very high | 97.4 | Very high | 38 Ų | 38 | 54.5 Ų | 54.5 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72 | 0.6 | 174.6 | -83.1 | -98.2 | 0 | 0 | 0 | 113.6 | W53 Y56 D57 V60 H61 F179 N180 P187 | W53-W183 AromaticContact CH2-CD2 3.61Å; W53-W183 HydrophobicContact CH2-CD2 3.61Å; W53-W183 AromaticContact CH2-CE2 3.67Å; W53-W183 AromaticContact CH2-CE3 3.95Å; W53-W183 HydrophobicContact CH2-CE3 3.95Å; W53-W183 AromaticContact CH2-CG 3.92Å; W53-W183 HydrophobicContact CH2-CG 3.92Å; W53-W183 HydrophobicContact CH2-CH2 4.41Å; W53-W183 HydrophobicContact CH2-CZ2 4.1Å; W53-W183 HydrophobicContact CH2-CZ3 4.34Å; W53-W183 AromaticContact CH2-NE1 3.96Å; W53-W183 AromaticContact CZ2-CD1 3.95Å; W53-W183 HydrophobicContact CZ2-CD2 4.21Å; W53-W183 HydrophobicContact CZ2-CG 4.15Å; W53-W183 AromaticContact CZ2-NE1 3.88Å; Y56-W183 HydrophobicContact CD1-CH2 4.28Å; Y56-W183 AromaticContact CE1-CH2 3.66Å; Y56-W183 HydrophobicContact CE1-CH2 3.66Å; Y56-W183 HydrophobicContact CE1-CZ2 4.48Å; Y56-W183 HydrophobicContact CE1-CZ3 4.25Å; D57-W183 PolarHBondContact OD1-NE1 3.49Å; V60-W183 HydrophobicContact CB-CH2 4.21Å; V60-W183 HydrophobicContact CB-CZ2 4.02Å; V60-W183 HydrophobicContact CG1-CH2 3.89Å; V60-W183 HydrophobicContact CG1-CZ2 3.77Å; V60-W183 HydrophobicContact CG2-CH2 4.04Å; V60-W183 HydrophobicContact CG2-CZ2 4.3Å; H61-W183 AromaticContact NE2-NE1 3.79Å; F179-W183 VanDerWaalsContact O-CE3 3.28Å; N180-W183 PolarHBondContact O-N 2.81Å; W183-P187 WeakPolarHBondContact O-CD 3.5Å; W183-P187 VanDerWaalsContact O-CG 3.24Å; W183-P187 WeakPolarHBondContact O-CG 3.29Å |
| 184 | V | 98.3 | Very high | 97.5 | Very high | 75 Ų | 75 | 46.8 Ų | 46.8 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -101.8 | -51.6 | 165.4 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | L146 N180 G181 L182 V188 | L146-V184 HydrophobicContact CD2-CB 4.36Å; L146-V184 HydrophobicContact CD2-CG1 4.14Å; N180-V184 PolarHBondContact O-N 3.32Å; G181-V184 PolarHBondContact O-N 3.25Å; L182-V184 PolarHBondContact O-N 3.25Å; V184-V188 WeakPolarHBondContact O-CB 3.31Å; V184-V188 VanDerWaalsContact O-CG2 3.26Å; V184-V188 WeakPolarHBondContact O-CG2 3.3Å; V184-V188 PolarHBondContact O-N 3.13Å |
| 185 | L | 98.6 | Very high | 97.7 | Very high | 102 Ų | 102 | 53.2 Ų | 53.2 | 53% | 0.534 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.3 | -51 | -173.4 | 177.4 | 61.8 | 0 | 0 | 0 | 111.8 | G181 L182 V188 L189 | G181-L185 VanDerWaalsContact O-CB 3.32Å; G181-L185 WeakPolarHBondContact O-CB 3.44Å; G181-L185 PolarHBondContact O-N 3.28Å; L182-L185 PolarHBondContact O-N 2.93Å; L185-V188 PolarHBondContact O-N 2.69Å; L185-L189 HydrophobicContact CD1-CD1 4.08Å; L185-L189 HydrophobicContact CD1-CG 4.25Å; L185-L189 HydrophobicContact CG-CD1 4.06Å; L185-L189 VanDerWaalsContact O-CG 3.29Å; L185-L189 WeakPolarHBondContact O-CG 3.4Å; L185-L189 PolarHBondContact O-N 3.06Å |
| 186 | V | 98.5 | Very high | 97.8 | Very high | 31 Ų | 31 | 57.6 Ų | 57.6 | 19% | 0.188 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.4 | -46.2 | -174.8 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | W53 L182 V188 L189 L190 | W53-V186 HydrophobicContact CB-CG1 4.02Å; W53-V186 HydrophobicContact CD2-CB 3.82Å; W53-V186 HydrophobicContact CD2-CG1 3.4Å; W53-V186 HydrophobicContact CD2-CG2 4.16Å; W53-V186 HydrophobicContact CE3-CB 3.99Å; W53-V186 HydrophobicContact CE3-CG1 3.94Å; W53-V186 HydrophobicContact CE3-CG2 3.82Å; W53-V186 HydrophobicContact CG-CB 4.36Å; W53-V186 HydrophobicContact CG-CG1 3.41Å; W53-V186 VanDerWaalsContact CG-CG1 3.41Å; W53-V186 HydrophobicContact CH2-CB 4.26Å; W53-V186 HydrophobicContact CH2-CG2 4.41Å; W53-V186 HydrophobicContact CZ2-CB 4.12Å; W53-V186 HydrophobicContact CZ2-CG1 4.42Å; W53-V186 HydrophobicContact CZ3-CB 4.2Å; W53-V186 HydrophobicContact CZ3-CG2 3.96Å; L182-V186 PolarHBondContact O-N 3.4Å; V186-V188 VanDerWaalsContact C-N 3.33Å; V186-V188 PolarHBondContact O-N 3.47Å; V186-L189 WeakPolarHBondContact O-CB 3.45Å; V186-L189 PolarHBondContact O-N 2.77Å; V186-L189 VanDerWaalsContact O-N 3.09Å; V186-L190 HydrophobicContact CG1-CD1 4.22Å; V186-L190 HydrophobicContact CG1-CG 4.22Å; V186-L190 WeakPolarHBondContact O-CG 3.31Å; V186-L190 PolarHBondContact O-N 3Å |
| 187 | P | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.1 | -39.2 | 176.9 | -31.6 | 43.9 | 0 | 0 | 0 | 113.4 | W53 S142 E145 L146 W183 L189 L190 L191 | W53-P187 HydrophobicContact CZ2-CG 4.45Å; S142-P187 PolarHBondContact OG-O 3Å; E145-P187 HydrophobicContact CB-CB 4.29Å; E145-P187 HydrophobicContact CB-CG 3.82Å; E145-P187 HydrophobicContact CG-CG 4.35Å; E145-P187 WeakPolarHBondContact OE2-CG 3.12Å; L146-P187 HydrophobicContact CD1-CB 4.29Å; L146-P187 HydrophobicContact CD2-CB 4.18Å; L146-P187 HydrophobicContact CG-CB 3.89Å; W183-P187 WeakPolarHBondContact O-CD 3.5Å; W183-P187 VanDerWaalsContact O-CG 3.24Å; W183-P187 WeakPolarHBondContact O-CG 3.29Å; P187-L189 PolarHBondContact O-N 2.82Å; P187-L190 PolarHBondContact O-N 3.34Å; P187-L191 WeakPolarHBondContact O-CG 3.45Å; P187-L191 PolarHBondContact O-N 3.33Å |
| 188 | V | 98.8 | Very high | 97.8 | Very high | 62 Ų | 62 | 59.1 Ų | 59.1 | 38% | 0.376 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 173.5 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | L146 V184 L185 V186 L190 L191 V192 | L146-V188 HydrophobicContact CD1-CG2 4.04Å; L146-V188 HydrophobicContact CD2-CG2 4.04Å; V184-V188 WeakPolarHBondContact O-CB 3.31Å; V184-V188 VanDerWaalsContact O-CG2 3.26Å; V184-V188 WeakPolarHBondContact O-CG2 3.3Å; V184-V188 PolarHBondContact O-N 3.13Å; L185-V188 PolarHBondContact O-N 2.69Å; V186-V188 VanDerWaalsContact C-N 3.33Å; V186-V188 PolarHBondContact O-N 3.47Å; V188-L190 VanDerWaalsContact C-N 3.31Å; V188-L190 PolarHBondContact O-N 3Å; V188-L191 PolarHBondContact O-N 3.41Å; V188-V192 WeakPolarHBondContact O-CG2 3.49Å; V188-V192 PolarHBondContact O-N 3.21Å |
| 189 | L | 98.7 | Very high | 97.8 | Very high | 103 Ų | 103 | 59.3 Ų | 59.3 | 54% | 0.539 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 176.9 | -68.6 | 173 | 0 | 0 | 0 | 111.7 | L185 V186 P187 V192 Q193 | L185-L189 HydrophobicContact CD1-CD1 4.08Å; L185-L189 HydrophobicContact CD1-CG 4.25Å; L185-L189 HydrophobicContact CG-CD1 4.06Å; L185-L189 VanDerWaalsContact O-CG 3.29Å; L185-L189 WeakPolarHBondContact O-CG 3.4Å; L185-L189 PolarHBondContact O-N 3.06Å; V186-L189 WeakPolarHBondContact O-CB 3.45Å; V186-L189 PolarHBondContact O-N 2.77Å; V186-L189 VanDerWaalsContact O-N 3.09Å; P187-L189 PolarHBondContact O-N 2.82Å; L189-V192 PolarHBondContact O-N 2.89Å; L189-Q193 WeakPolarHBondContact O-CB 3.47Å; L189-Q193 PolarHBondContact O-N 3.5Å |
| 190 | L | 98.6 | Very high | 97.8 | Very high | 10 Ų | 10 | 61 Ų | 61 | 5% | 0.052 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 175.5 | -67.8 | -178.7 | 0 | 0 | 0 | 112.2 | I50 Q138 V186 P187 V188 Q193 S194 | I50-L190 HydrophobicContact CB-CD2 4.45Å; I50-L190 HydrophobicContact CD1-CD2 4.13Å; I50-L190 HydrophobicContact CG1-CD2 3.65Å; I50-L190 HydrophobicContact CG2-CD2 4.28Å; Q138-L190 HydrophobicContact CG-CB 3.91Å; Q138-L190 HydrophobicContact CG-CD1 4.39Å; Q138-L190 HydrophobicContact CG-CD2 4.43Å; Q138-L190 HydrophobicContact CG-CG 4.47Å; Q138-L190 PolarHBondContact NE2-O 2.97Å; V186-L190 HydrophobicContact CG1-CD1 4.22Å; V186-L190 HydrophobicContact CG1-CG 4.22Å; V186-L190 WeakPolarHBondContact O-CG 3.31Å; V186-L190 PolarHBondContact O-N 3Å; P187-L190 PolarHBondContact O-N 3.34Å; V188-L190 VanDerWaalsContact C-N 3.31Å; V188-L190 PolarHBondContact O-N 3Å; L190-Q193 PolarHBondContact O-N 3.33Å; L190-S194 WeakPolarHBondContact O-CB 3.45Å; L190-S194 PolarHBondContact O-N 2.81Å; L190-S194 PolarHBondContact O-OG 2.86Å |
| 191 | L | 98.7 | Very high | 97.6 | Very high | 45 Ų | 45 | 64 Ų | 64 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.2 | -47.7 | 174.6 | -73.5 | 173 | 0 | 0 | 0 | 111.6 | I139 V143 L146 P187 V188 Q193 S194 W195 | I139-L191 HydrophobicContact CB-CD2 4.09Å; I139-L191 HydrophobicContact CG1-CD2 4.02Å; I139-L191 HydrophobicContact CG2-CD2 3.89Å; V143-L191 HydrophobicContact CG2-CD2 4.35Å; L146-L191 HydrophobicContact CD1-CD1 3.6Å; P187-L191 WeakPolarHBondContact O-CG 3.45Å; P187-L191 PolarHBondContact O-N 3.33Å; V188-L191 PolarHBondContact O-N 3.41Å; L191-Q193 VanDerWaalsContact C-N 3.32Å; L191-Q193 PolarHBondContact O-N 2.95Å; L191-S194 PolarHBondContact O-N 2.83Å; L191-W195 WeakPolarHBondContact O-CB 3.47Å; L191-W195 PolarHBondContact O-N 3.24Å |
| 192 | V | 98.6 | Very high | 97.5 | Very high | 76 Ų | 76 | 67.7 Ų | 67.7 | 46% | 0.461 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 176.5 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | V188 L189 S194 W195 L196 | V188-V192 WeakPolarHBondContact O-CG2 3.49Å; V188-V192 PolarHBondContact O-N 3.21Å; L189-V192 PolarHBondContact O-N 2.89Å; V192-S194 PolarHBondContact O-N 2.68Å; V192-W195 PolarHBondContact O-N 3.16Å; V192-L196 HydrophobicContact CG1-CD1 4.06Å; V192-L196 HydrophobicContact CG1-CG 4.47Å; V192-L196 WeakPolarHBondContact O-CG 3.5Å; V192-L196 PolarHBondContact O-N 3.48Å |
| 193 | Q | 97.9 | Very high | 97.3 | Very high | 48 Ų | 48 | 67.9 Ų | 67.9 | 22% | 0.224 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 177.6 | -173.4 | -80.2 | -30.1 | 0 | 0 | 111.9 | T46 H135 L189 L190 L191 C197 | T46-Q193 HydrophobicContact CG2-CG 4.31Å; H135-Q193 PolarHBondContact CE1-OE1 3.26Å; L189-Q193 WeakPolarHBondContact O-CB 3.47Å; L189-Q193 PolarHBondContact O-N 3.5Å; L190-Q193 PolarHBondContact O-N 3.33Å; L191-Q193 VanDerWaalsContact C-N 3.32Å; L191-Q193 PolarHBondContact O-N 2.95Å; Q193-C197 PolarHBondContact O-N 3.05Å; Q193-C197 VanDerWaalsContact O-N 3.12Å |
| 194 | S | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 177.5 | -74.3 | 0 | 0 | 0 | 0 | 111.9 | H135 Q138 L190 L191 V192 C197 L198 | H135-S194 PolarHBondContact ND1-OG 2.84Å; Q138-S194 VanDerWaalsContact CD-OG 3.29Å; Q138-S194 PolarHBondContact NE2-OG 3.21Å; L190-S194 WeakPolarHBondContact O-CB 3.45Å; L190-S194 PolarHBondContact O-N 2.81Å; L190-S194 PolarHBondContact O-OG 2.86Å; L191-S194 PolarHBondContact O-N 2.83Å; V192-S194 PolarHBondContact O-N 2.68Å; S194-C197 PolarHBondContact O-N 3.26Å; S194-L198 WeakPolarHBondContact O-CB 3.28Å; S194-L198 VanDerWaalsContact O-CG 3.29Å; S194-L198 WeakPolarHBondContact O-CG 3.45Å; S194-L198 PolarHBondContact O-N 3.45Å |
| 195 | W | 98.1 | Very high | 96.8 | Very high | 181 Ų | 181 | 72.7 Ų | 72.7 | 69% | 0.686 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -57.8 | -50.3 | 176.4 | 178.9 | -95.9 | 0 | 0 | 0 | 112.1 | L191 V192 C197 L198 Q199 | L191-W195 WeakPolarHBondContact O-CB 3.47Å; L191-W195 PolarHBondContact O-N 3.24Å; V192-W195 PolarHBondContact O-N 3.16Å; W195-C197 VanDerWaalsContact C-N 3.3Å; W195-C197 PolarHBondContact O-N 3.25Å; W195-L198 PolarHBondContact O-N 2.88Å; W195-Q199 WeakPolarHBondContact O-CB 3.42Å; W195-Q199 PolarHBondContact O-N 2.94Å |
| 196 | L | 97.8 | Very high | 96.5 | Very high | 98 Ų | 98 | 73.2 Ų | 73.2 | 51% | 0.513 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.5 | -37.6 | 179 | -67.7 | 174.1 | 0 | 0 | 0 | 112.1 | V192 S200 | V192-L196 HydrophobicContact CG1-CD1 4.06Å; V192-L196 HydrophobicContact CG1-CG 4.47Å; V192-L196 WeakPolarHBondContact O-CG 3.5Å; V192-L196 PolarHBondContact O-N 3.48Å; L196-S200 PolarHBondContact O-N 3.15Å; L196-S200 VanDerWaalsContact O-N 3.1Å |
| 197 | C | 96 | Very high | 96.1 | Very high | 37 Ų | 37 | 77.2 Ų | 77.2 | 25% | 0.25 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.3 | -46.2 | 176.2 | -169.5 | 0 | 0 | 0 | 0 | 111.8 | H135 Q193 S194 W195 Q199 S200 L201 | H135-C197 PolarHBondContact NE2-SG 3.05Å; Q193-C197 PolarHBondContact O-N 3.05Å; Q193-C197 VanDerWaalsContact O-N 3.12Å; S194-C197 PolarHBondContact O-N 3.26Å; W195-C197 VanDerWaalsContact C-N 3.3Å; W195-C197 PolarHBondContact O-N 3.25Å; C197-Q199 VanDerWaalsContact C-N 3.31Å; C197-Q199 PolarHBondContact O-N 3.11Å; C197-S200 WeakPolarHBondContact O-CB 3.15Å; C197-S200 PolarHBondContact O-N 3Å; C197-L201 WeakPolarHBondContact O-CG 3.27Å; C197-L201 PolarHBondContact O-N 2.95Å |
| 198 | L | 96.5 | Very high | 95.6 | Very high | 76 Ų | 76 | 87.3 Ų | 87.3 | 40% | 0.398 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 177.8 | -70.8 | 171.2 | 0 | 0 | 0 | 111.9 | H135 I139 S194 W195 L201 H202 | H135-L198 HydrophobicContact CB-CD2 4.42Å; H135-L198 HydrophobicContact CB-CG 4.49Å; I139-L198 HydrophobicContact CD1-CD1 3.74Å; S194-L198 WeakPolarHBondContact O-CB 3.28Å; S194-L198 VanDerWaalsContact O-CG 3.29Å; S194-L198 WeakPolarHBondContact O-CG 3.45Å; S194-L198 PolarHBondContact O-N 3.45Å; W195-L198 PolarHBondContact O-N 2.88Å; L198-L201 PolarHBondContact O-N 3.45Å; L198-H202 WeakPolarHBondContact O-CB 3.47Å; L198-H202 PolarHBondContact O-N 3.02Å |
| 199 | Q | 96.9 | Very high | 94.8 | Very high | 118 Ų | 118 | 88.6 Ų | 88.6 | 55% | 0.551 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.5 | -46.3 | 174.7 | -173.3 | 179.8 | 14.5 | 0 | 0 | 111.9 | W195 C197 H202 A203 | W195-Q199 WeakPolarHBondContact O-CB 3.42Å; W195-Q199 PolarHBondContact O-N 2.94Å; C197-Q199 VanDerWaalsContact C-N 3.31Å; C197-Q199 PolarHBondContact O-N 3.11Å; Q199-H202 WeakPolarHBondContact O-CB 3.26Å; Q199-H202 PolarHBondContact O-N 3.22Å; Q199-A203 PolarHBondContact O-N 3.15Å; Q199-A203 VanDerWaalsContact O-N 3.12Å |
| 200 | S | 95.8 | Very high | 93.7 | Very high | 70 Ų | 70 | 90.7 Ų | 90.7 | 49% | 0.49 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.2 | -46.6 | 175.6 | 166.8 | 0 | 0 | 0 | 0 | 112.1 | L196 C197 H202 A203 V204 | L196-S200 PolarHBondContact O-N 3.15Å; L196-S200 VanDerWaalsContact O-N 3.1Å; C197-S200 WeakPolarHBondContact O-CB 3.15Å; C197-S200 PolarHBondContact O-N 3Å; S200-H202 VanDerWaalsContact C-N 3.28Å; S200-H202 PolarHBondContact O-N 3.18Å; S200-A203 PolarHBondContact O-N 3.33Å; S200-V204 WeakPolarHBondContact O-CG2 3.21Å; S200-V204 PolarHBondContact O-N 2.95Å; S200-V204 VanDerWaalsContact O-N 3.11Å |
| 201 | L | 93.2 | Very high | 93.5 | Very high | 101 Ų | 101 | 94.8 Ų | 94.8 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -35.8 | 178.2 | -71.4 | 170.7 | 0 | 0 | 0 | 112.3 | C197 L198 K205 | C197-L201 WeakPolarHBondContact O-CG 3.27Å; C197-L201 PolarHBondContact O-N 2.95Å; L198-L201 PolarHBondContact O-N 3.45Å; L201-K205 PolarHBondContact O-N 3.39Å |
| 202 | H | 93.9 | Very high | 93.2 | Very high | 109 Ų | 109 | 97.4 Ų | 97.4 | 51% | 0.505 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -47.9 | 175.7 | -174.6 | 60 | 0 | 0 | 0 | 111.7 | L198 Q199 S200 V204 K205 E206 | L198-H202 WeakPolarHBondContact O-CB 3.47Å; L198-H202 PolarHBondContact O-N 3.02Å; Q199-H202 WeakPolarHBondContact O-CB 3.26Å; Q199-H202 PolarHBondContact O-N 3.22Å; S200-H202 VanDerWaalsContact C-N 3.28Å; S200-H202 PolarHBondContact O-N 3.18Å; H202-V204 PolarHBondContact O-N 3.27Å; H202-K205 WeakPolarHBondContact O-CB 3.41Å; H202-K205 PolarHBondContact O-N 3.06Å; H202-K205 VanDerWaalsContact O-N 3.08Å; H202-E206 IonicContact CE1-OE1 3.89Å; H202-E206 IonicContact NE2-OE1 3.41Å; H202-E206 PolarHBondContact NE2-OE1 3.11Å; H202-E206 PolarHBondContact O-N 3.43Å; H202-E206 VanDerWaalsContact O-N 3.08Å |
| 203 | A | 94.5 | Very high | 92.9 | Very high | 45 Ų | 45 | 98.6 Ų | 98.6 | 37% | 0.372 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q199 S200 K205 E206 D207 | Q199-A203 PolarHBondContact O-N 3.15Å; Q199-A203 VanDerWaalsContact O-N 3.12Å; S200-A203 PolarHBondContact O-N 3.33Å; A203-K205 PolarHBondContact O-N 3.4Å; A203-E206 PolarHBondContact O-N 2.82Å; A203-E206 VanDerWaalsContact O-N 3.1Å; A203-D207 PolarHBondContact O-N 2.74Å |
| 204 | V | 93.6 | Very high | 92.6 | Very high | 62 Ų | 62 | 101.5 Ų | 101.5 | 38% | 0.376 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.7 | -32 | 176.7 | 173.6 | 0 | 0 | 0 | 0 | 112.1 | S200 H202 R208 | S200-V204 WeakPolarHBondContact O-CG2 3.21Å; S200-V204 PolarHBondContact O-N 2.95Å; S200-V204 VanDerWaalsContact O-N 3.11Å; H202-V204 PolarHBondContact O-N 3.27Å; V204-R208 VanDerWaalsContact O-CG 3.31Å; V204-R208 WeakPolarHBondContact O-CG 3.31Å; V204-R208 PolarHBondContact O-N 3Å |
| 205 | K | 92 | Very high | 92.2 | Very high | 153 Ų | 153 | 107.9 Ų | 107.9 | 67% | 0.665 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70.4 | -39 | 176.3 | -177.6 | -176.9 | 173.4 | -173.7 | 0 | 111.4 | L201 H202 A203 R208 A209 | L201-K205 PolarHBondContact O-N 3.39Å; H202-K205 WeakPolarHBondContact O-CB 3.41Å; H202-K205 PolarHBondContact O-N 3.06Å; H202-K205 VanDerWaalsContact O-N 3.08Å; A203-K205 PolarHBondContact O-N 3.4Å; K205-R208 PolarHBondContact O-N 2.92Å; K205-A209 PolarHBondContact O-N 2.89Å |
| 206 | E | 91.4 | Very high | 91.8 | Very high | 113 Ų | 113 | 103 Ų | 103 | 53% | 0.528 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.6 | -45.7 | 175.8 | -67.1 | -174.1 | 142 | 0 | 0 | 111.4 | H202 A203 R208 A209 S210 | H202-E206 IonicContact CE1-OE1 3.89Å; H202-E206 IonicContact NE2-OE1 3.41Å; H202-E206 PolarHBondContact NE2-OE1 3.11Å; H202-E206 PolarHBondContact O-N 3.43Å; H202-E206 VanDerWaalsContact O-N 3.08Å; A203-E206 PolarHBondContact O-N 2.82Å; A203-E206 VanDerWaalsContact O-N 3.1Å; E206-R208 PolarHBondContact O-N 2.94Å; E206-A209 WeakPolarHBondContact O-CA 3.49Å; E206-A209 WeakPolarHBondContact O-CB 3.45Å; E206-A209 PolarHBondContact O-N 3.28Å; E206-S210 PolarHBondContact O-N 3.25Å; E206-S210 VanDerWaalsContact O-N 3.15Å |
| 207 | D | 90 | Very high | 91.4 | Very high | 115 Ų | 115 | 103.4 Ų | 103.4 | 62% | 0.615 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.2 | -31.2 | 177.1 | -70.6 | -16.3 | 0 | 0 | 0 | 113.1 | A203 A209 S210 | A203-D207 PolarHBondContact O-N 2.74Å; D207-A209 VanDerWaalsContact C-N 3.32Å; D207-S210 PolarHBondContact O-OG 3.2Å; D207-S210 VanDerWaalsContact O-OG 3.08Å |
| 208 | R | 87.8 | Confident | 91.1 | Very high | 212 Ų | 212 | 108.5 Ų | 108.5 | 80% | 0.8 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -15.6 | 175.8 | -72.1 | 177.8 | -172.9 | -170.4 | 4 | 113.3 | V204 K205 E206 | V204-R208 VanDerWaalsContact O-CG 3.31Å; V204-R208 WeakPolarHBondContact O-CG 3.31Å; V204-R208 PolarHBondContact O-N 3Å; K205-R208 PolarHBondContact O-N 2.92Å; E206-R208 PolarHBondContact O-N 2.94Å |
| 209 | A | 83.4 | Confident | 90.6 | Very high | 89 Ų | 89 | 111.2 Ų | 111.2 | 74% | 0.736 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -18.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | K205 E206 D207 | K205-A209 PolarHBondContact O-N 2.89Å; E206-A209 WeakPolarHBondContact O-CA 3.49Å; E206-A209 WeakPolarHBondContact O-CB 3.45Å; E206-A209 PolarHBondContact O-N 3.28Å; D207-A209 VanDerWaalsContact C-N 3.32Å |
| 210 | S | 74.8 | Confident | 90 | Very high | 147 Ų | 147 | 110.5 Ų | 110.5 | 100% | 1.028 | 60% | 0.604 | S | S | * | * | trans | -84.1 | 0 | 171.1 | 62 | 0 | 0 | 0 | 0 | 112.7 | E206 D207 | E206-S210 PolarHBondContact O-N 3.25Å; E206-S210 VanDerWaalsContact O-N 3.15Å; D207-S210 PolarHBondContact O-OG 3.2Å; D207-S210 VanDerWaalsContact O-OG 3.08Å |
Retrieved 210 of 210 residues in 275.3 ms
(Link to these results)