| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.5 | Very low | 64.3 | Low | 242 Ų | 242 | 100.3 Ų | 100.3 | 100% | 1.192 | 60% | 0.597 | S | S | * | * | 0 | 83.5 | 0 | -65.2 | -69.8 | -147.3 | 0 | 0 | 107.9 | G3 | M1-G3 VanDerWaalsContact C-N 3.34Å; M1-G3 PolarHBondContact O-N 3.3Å | |||
| 2 | S | 43.5 | Very low | 66.2 | Low | 123 Ų | 123 | 100 Ų | 100 | 86% | 0.86 | 60% | 0.599 | S | S | * | * | trans | -73.8 | 95.3 | 170.3 | -66.8 | 0 | 0 | 0 | 0 | 106.9 | D4 | S2-D4 PolarHBondContact O-N 3.39Š| ||
| 3 | G | 51 | Low | 67.7 | Low | 64 Ų | 64 | 93.5 Ų | 93.5 | 66% | 0.66 | 56% | 0.559 | S | S | * | * | trans | -71.1 | 112.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | M1 T5 | M1-G3 VanDerWaalsContact C-N 3.34Å; M1-G3 PolarHBondContact O-N 3.3Å; G3-T5 PolarHBondContact O-N 2.87Å | ||
| 4 | D | 51.1 | Low | 68.9 | Low | 152 Ų | 152 | 93.9 Ų | 93.9 | 81% | 0.813 | 55% | 0.545 | S | S | * | . | trans | -52 | 107.5 | 171 | -67.6 | -37.1 | 0 | 0 | 0 | 108.4 | S2 V6 | S2-D4 PolarHBondContact O-N 3.39Å; D4-V6 PolarHBondContact O-N 3.44Å | ||
| 5 | T | 55.2 | Low | 69.6 | Low | 135 Ų | 135 | 92.3 Ų | 92.3 | 83% | 0.828 | 54% | 0.538 | S | S | * | . | trans | -68.2 | 100.7 | 173.7 | 39.2 | 0 | 0 | 0 | 0 | 107 | G3 A7 | G3-T5 PolarHBondContact O-N 2.87Å; T5-A7 PolarHBondContact O-N 3.34Å | ||
| 6 | V | 62.2 | Low | 69.9 | Low | 96 Ų | 96 | 91.9 Ų | 91.9 | 58% | 0.582 | 53% | 0.533 | S | S | * | . | trans | -64.2 | 98.6 | 176.2 | -178.9 | 0 | 0 | 0 | 0 | 107.9 | D4 V8 | D4-V6 PolarHBondContact O-N 3.44Å; V6-V8 PolarHBondContact O-N 3.2Å | ||
| 7 | A | 73.1 | Confident | 70.5 | Confident | 73 Ų | 73 | 88.1 Ų | 88.1 | 60% | 0.603 | 51% | 0.513 | S | S | * | . | trans | -61.5 | 120 | 176 | 0 | 0 | 0 | 0 | 0 | 109.2 | T5 K9 | T5-A7 PolarHBondContact O-N 3.34Å; A7-K9 PolarHBondContact O-N 2.86Å; A7-K9 VanDerWaalsContact O-N 3.17Å | ||
| 8 | V | 79.6 | Confident | 71.4 | Confident | 9 Ų | 9 | 83.5 Ų | 83.5 | 6% | 0.055 | 49% | 0.486 | C | S | . | . | trans | -72 | 113.2 | 176.5 | 171.5 | 0 | 0 | 0 | 0 | 109.2 | V6 V10 Q28 F29 A32 I34 Y43 | V6-V8 PolarHBondContact O-N 3.2Å; V8-V10 PolarHBondContact O-N 3.47Å; V8-Q28 HydrophobicContact CG1-CB 3.79Å; V8-Q28 HydrophobicContact CG2-CB 4.36Å; V8-F29 HydrophobicContact CG1-CD1 3.99Å; V8-F29 HydrophobicContact CG1-CE1 3.87Å; V8-F29 HydrophobicContact CG2-CD1 4.3Å; V8-A32 HydrophobicContact CG2-CB 3.44Å; V8-A32 VanDerWaalsContact CG2-CB 3.44Å; V8-I34 HydrophobicContact CB-CD1 4.23Å; V8-I34 HydrophobicContact CG2-CD1 3.46Å; V8-I34 VanDerWaalsContact CG2-CD1 3.46Å; V8-Y43 HydrophobicContact CB-CD1 3.93Å; V8-Y43 HydrophobicContact CB-CE1 3.66Å; V8-Y43 HydrophobicContact CB-CE2 4.34Å; V8-Y43 HydrophobicContact CB-CG 4.39Å; V8-Y43 HydrophobicContact CG1-CD1 4.29Å; V8-Y43 HydrophobicContact CG1-CE1 4.49Å; V8-Y43 WeakPolarHBondContact O-CD1 3.48Å; V8-Y43 VanDerWaalsContact O-CE1 3.22Å; V8-Y43 WeakPolarHBondContact O-CE1 3.38Å | ||
| 9 | K | 83.4 | Confident | 72.2 | Confident | 175 Ų | 175 | 80.7 Ų | 80.7 | 76% | 0.761 | 47% | 0.474 | S | S | * | . | trans | -89.8 | 102.7 | 173.6 | -173.1 | 175.8 | -177.7 | 176.8 | 0 | 109.5 | A7 Q28 | A7-K9 PolarHBondContact O-N 2.86Å; A7-K9 VanDerWaalsContact O-N 3.17Å; K9-Q28 PolarHBondContact O-NE2 2.95Å; K9-Q28 VanDerWaalsContact O-NE2 3.12Å; K9-Q28 PolarHBondContact O-OE1 2.91Å | ||
| 10 | V | 85 | Confident | 73 | Confident | 25 Ų | 25 | 80.3 Ų | 80.3 | 15% | 0.152 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 122.8 | 175.5 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | V8 W21 V25 Y43 | V8-V10 PolarHBondContact O-N 3.47Å; V10-W21 HydrophobicContact CG1-CH2 3.99Å; V10-W21 HydrophobicContact CG1-CZ2 3.44Å; V10-W21 VanDerWaalsContact CG1-CZ2 3.44Å; V10-V25 HydrophobicContact CG1-CG2 4.36Å; V10-Y43 HydrophobicContact CG2-CD1 4.47Å; V10-Y43 WeakPolarHBondContact CG2-O 3.36Å |
| 11 | P | 86.1 | Confident | 73.8 | Confident | 9 Ų | 9 | 76.5 Ų | 76.5 | 6% | 0.058 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 158.6 | 178.7 | 29.8 | -30.8 | 0 | 0 | 0 | 111.1 | W21 R24 V25 | P11-W21 PolarHBondContact O-NE1 3.39Å; P11-R24 HydrophobicContact CG-CG 4.32Å; P11-V25 HydrophobicContact CG-CG2 4.04Å |
| 12 | P | 86.3 | Confident | 76.4 | Confident | 97 Ų | 97 | 65 Ų | 65 | 63% | 0.63 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 143.1 | 173.2 | -24.9 | 33.9 | 0 | 0 | 0 | 112 | W21 | P12-W21 PolarHBondContact O-NE1 3.25Š|
| 13 | F | 86 | Confident | 78.7 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 7% | 0.07 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 136.6 | -173.1 | -175.2 | -102.6 | 0 | 0 | 0 | 112.5 | T15 P18 W21 I52 V76 F80 | F13-T15 HydrophobicContact CD1-CG2 3.93Å; F13-T15 HydrophobicContact CE1-CG2 4.17Å; F13-P18 HydrophobicContact CE2-CB 4.2Å; F13-P18 HydrophobicContact CZ-CB 3.71Å; F13-W21 AromaticContact CD2-CD2 3.63Å; F13-W21 HydrophobicContact CD2-CD2 3.63Å; F13-W21 AromaticContact CD2-CE2 3.81Å; F13-W21 AromaticContact CD2-CE3 3.76Å; F13-W21 HydrophobicContact CD2-CE3 3.76Å; F13-W21 HydrophobicContact CD2-CG 4.08Å; F13-W21 HydrophobicContact CD2-CH2 4.21Å; F13-W21 HydrophobicContact CD2-CZ2 4.08Å; F13-W21 HydrophobicContact CD2-CZ3 4.06Å; F13-W21 HydrophobicContact CE2-CD2 4.12Å; F13-W21 AromaticContact CE2-CE3 3.87Å; F13-W21 HydrophobicContact CE2-CE3 3.87Å; F13-W21 HydrophobicContact CE2-CZ3 4.24Å; F13-I52 HydrophobicContact CB-CD1 3.55Å; F13-I52 HydrophobicContact CD1-CD1 3.33Å; F13-I52 HydrophobicContact CD1-CG1 4.03Å; F13-I52 HydrophobicContact CD2-CD1 3.64Å; F13-I52 HydrophobicContact CE1-CD1 3.82Å; F13-I52 HydrophobicContact CE1-CG1 4.15Å; F13-I52 HydrophobicContact CE2-CD1 4.11Å; F13-I52 HydrophobicContact CG-CD1 3.2Å; F13-I52 HydrophobicContact CG-CG1 4.35Å; F13-I52 HydrophobicContact CZ-CD1 4.17Å; F13-V76 HydrophobicContact CE2-CG1 3.86Å; F13-V76 HydrophobicContact CZ-CG1 3.66Å; F13-F80 HydrophobicContact CD1-CZ 4.31Å; F13-F80 HydrophobicContact CE1-CD1 4.29Å; F13-F80 HydrophobicContact CE1-CD2 4.08Å; F13-F80 AromaticContact CE1-CE1 3.77Å; F13-F80 HydrophobicContact CE1-CE1 3.77Å; F13-F80 AromaticContact CE1-CE2 3.54Å; F13-F80 HydrophobicContact CE1-CE2 3.54Å; F13-F80 HydrophobicContact CE1-CG 4.45Å; F13-F80 AromaticContact CE1-CZ 3.37Å; F13-F80 HydrophobicContact CE1-CZ 3.37Å; F13-F80 AromaticContact CZ-CD2 3.87Å; F13-F80 HydrophobicContact CZ-CD2 3.87Å; F13-F80 HydrophobicContact CZ-CE1 4.5Å; F13-F80 AromaticContact CZ-CE2 3.6Å; F13-F80 HydrophobicContact CZ-CE2 3.6Å; F13-F80 HydrophobicContact CZ-CG 4.46Å; F13-F80 AromaticContact CZ-CZ 3.96Å; F13-F80 HydrophobicContact CZ-CZ 3.96Å |
| 14 | W | 84.5 | Confident | 80.6 | Confident | 98 Ų | 98 | 68.4 Ų | 68.4 | 37% | 0.371 | 37% | 0.368 | S | S | . | . | trans | -96.8 | 94.4 | 176.4 | -58.7 | -23.7 | 0 | 0 | 0 | 110.9 | N16 S17 P18 L20 W21 R24 | W14-N16 PolarHBondContact O-N 3.42Å; W14-S17 CarbonylContact O-C 3.56Å; W14-S17 VanDerWaalsContact O-C 3.23Å; W14-S17 PolarHBondContact O-N 2.95Å; W14-P18 VanDerWaalsContact O-N 3.13Å; W14-L20 HydrophobicContact CE3-CB 4.03Å; W14-L20 HydrophobicContact CZ3-CB 3.88Å; W14-W21 HydrophobicContact CB-CB 4.06Å; W14-W21 HydrophobicContact CD2-CB 4.08Å; W14-W21 HydrophobicContact CE3-CB 3.8Å; W14-W21 HydrophobicContact CG-CB 4.2Å; W14-R24 VanDerWaalsContact CZ2-NH1 3.25Å | ||
| 15 | T | 80 | Confident | 82.6 | Confident | 71 Ų | 71 | 61.1 Ų | 61.1 | 44% | 0.436 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -34.5 | 178.6 | 52.4 | 0 | 0 | 0 | 0 | 113.5 | F13 F80 | F13-T15 HydrophobicContact CD1-CG2 3.93Å; F13-T15 HydrophobicContact CE1-CG2 4.17Å; T15-F80 HydrophobicContact CG2-CE1 4.04Å |
| 16 | N | 74.8 | Confident | 84.4 | Confident | 86 Ų | 86 | 57 Ų | 57 | 46% | 0.46 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -26.1 | 177.8 | -67.7 | -34 | 0 | 0 | 0 | 113.2 | W14 R87 N115 | W14-N16 PolarHBondContact O-N 3.42Å; N16-R87 PolarHBondContact OD1-NH1 3.02Å; N16-N115 PolarHBondContact O-ND2 3.36Å |
| 17 | S | 79.9 | Confident | 85.8 | Confident | 27 Ų | 27 | 54.4 Ų | 54.4 | 19% | 0.189 | 29% | 0.289 | C | S | . | . | trans | -141.9 | 62.3 | -172 | -55.6 | 0 | 0 | 0 | 0 | 112.2 | W14 A19 L20 W21 N115 | W14-S17 CarbonylContact O-C 3.56Å; W14-S17 VanDerWaalsContact O-C 3.23Å; W14-S17 PolarHBondContact O-N 2.95Å; S17-A19 VanDerWaalsContact C-N 3.27Å; S17-A19 PolarHBondContact O-N 3.46Å; S17-L20 PolarHBondContact O-N 3.47Å; S17-W21 PolarHBondContact O-N 3.49Å; S17-N115 WeakPolarHBondContact CA-ND2 3.28Å; S17-N115 WeakPolarHBondContact CB-ND2 3.45Å; S17-N115 PolarHBondContact OG-ND2 2.94Å | ||
| 18 | P | 85.8 | Confident | 86.7 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.032 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.1 | -34.8 | -176.4 | 28.5 | -38.9 | 0 | 0 | 0 | 112.2 | F13 W14 W21 F22 L77 F80 | F13-P18 HydrophobicContact CE2-CB 4.2Å; F13-P18 HydrophobicContact CZ-CB 3.71Å; W14-P18 VanDerWaalsContact O-N 3.13Å; P18-W21 WeakPolarHBondContact O-CB 3.41Å; P18-W21 PolarHBondContact O-N 3.47Å; P18-F22 VanDerWaalsContact O-CD2 3.24Å; P18-F22 WeakPolarHBondContact O-CD2 3.25Å; P18-F22 PolarHBondContact O-N 3.23Å; P18-L77 HydrophobicContact CB-CD2 4.04Å; P18-L77 HydrophobicContact CG-CD2 4.13Å; P18-F80 HydrophobicContact CB-CB 4.31Å; P18-F80 HydrophobicContact CG-CB 3.72Å; P18-F80 HydrophobicContact CG-CG 4.38Å |
| 19 | A | 87 | Confident | 87.3 | Confident | 31 Ų | 31 | 53 Ų | 53 | 26% | 0.256 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S17 W21 F22 K23 L77 | S17-A19 VanDerWaalsContact C-N 3.27Å; S17-A19 PolarHBondContact O-N 3.46Å; A19-W21 VanDerWaalsContact C-N 3.3Å; A19-W21 PolarHBondContact O-N 3.42Å; A19-F22 PolarHBondContact O-N 3.3Å; A19-K23 WeakPolarHBondContact O-CG 3.42Å; A19-K23 PolarHBondContact O-N 3.21Å; A19-K23 VanDerWaalsContact O-N 3.08Å; A19-L77 HydrophobicContact CB-CD2 3.91Å |
| 20 | L | 87.4 | Confident | 87.7 | Confident | 71 Ų | 71 | 52 Ų | 52 | 37% | 0.372 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67 | -34.8 | 176.1 | -67.5 | 178.7 | 0 | 0 | 0 | 111.8 | W14 S17 K23 R24 | W14-L20 HydrophobicContact CE3-CB 4.03Å; W14-L20 HydrophobicContact CZ3-CB 3.88Å; S17-L20 PolarHBondContact O-N 3.47Å; L20-K23 HydrophobicContact CD2-CD 4.34Å; L20-K23 PolarHBondContact O-N 3.46Å; L20-R24 PolarHBondContact O-N 3.29Å |
| 21 | W | 90.5 | Very high | 88 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 174.8 | -179.8 | 89.9 | 0 | 0 | 0 | 111.4 | V10 P11 P12 F13 W14 S17 P18 A19 K23 R24 V25 I44 | V10-W21 HydrophobicContact CG1-CH2 3.99Å; V10-W21 HydrophobicContact CG1-CZ2 3.44Å; V10-W21 VanDerWaalsContact CG1-CZ2 3.44Å; P11-W21 PolarHBondContact O-NE1 3.39Å; P12-W21 PolarHBondContact O-NE1 3.25Å; F13-W21 AromaticContact CD2-CD2 3.63Å; F13-W21 HydrophobicContact CD2-CD2 3.63Å; F13-W21 AromaticContact CD2-CE2 3.81Å; F13-W21 AromaticContact CD2-CE3 3.76Å; F13-W21 HydrophobicContact CD2-CE3 3.76Å; F13-W21 HydrophobicContact CD2-CG 4.08Å; F13-W21 HydrophobicContact CD2-CH2 4.21Å; F13-W21 HydrophobicContact CD2-CZ2 4.08Å; F13-W21 HydrophobicContact CD2-CZ3 4.06Å; F13-W21 HydrophobicContact CE2-CD2 4.12Å; F13-W21 AromaticContact CE2-CE3 3.87Å; F13-W21 HydrophobicContact CE2-CE3 3.87Å; F13-W21 HydrophobicContact CE2-CZ3 4.24Å; W14-W21 HydrophobicContact CB-CB 4.06Å; W14-W21 HydrophobicContact CD2-CB 4.08Å; W14-W21 HydrophobicContact CE3-CB 3.8Å; W14-W21 HydrophobicContact CG-CB 4.2Å; S17-W21 PolarHBondContact O-N 3.49Å; P18-W21 WeakPolarHBondContact O-CB 3.41Å; P18-W21 PolarHBondContact O-N 3.47Å; A19-W21 VanDerWaalsContact C-N 3.3Å; A19-W21 PolarHBondContact O-N 3.42Å; W21-K23 PolarHBondContact O-N 3.39Å; W21-R24 WeakPolarHBondContact O-CB 3.48Å; W21-R24 PolarHBondContact O-N 3.12Å; W21-R24 VanDerWaalsContact O-N 3.13Å; W21-V25 HydrophobicContact CD2-CG2 4.03Å; W21-V25 HydrophobicContact CE3-CG2 4.18Å; W21-V25 HydrophobicContact CH2-CG2 4Å; W21-V25 HydrophobicContact CZ2-CG2 3.84Å; W21-V25 HydrophobicContact CZ3-CG2 4.16Å; W21-V25 WeakPolarHBondContact O-CG2 3.35Å; W21-V25 PolarHBondContact O-N 2.7Å; W21-I44 HydrophobicContact CH2-CD1 3.76Å; W21-I44 HydrophobicContact CH2-CG2 4.4Å; W21-I44 HydrophobicContact CZ3-CD1 3.93Å |
| 22 | F | 92.1 | Very high | 88.3 | Confident | 1 Ų | 1 | 58 Ų | 58 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60 | -44.4 | 175.1 | -84.8 | -72.1 | 0 | 0 | 0 | 111.8 | P18 A19 R24 V25 E26 I44 K73 V76 L77 | P18-F22 VanDerWaalsContact O-CD2 3.24Å; P18-F22 WeakPolarHBondContact O-CD2 3.25Å; P18-F22 PolarHBondContact O-N 3.23Å; A19-F22 PolarHBondContact O-N 3.3Å; F22-R24 VanDerWaalsContact C-N 3.26Å; F22-R24 PolarHBondContact O-N 3.22Å; F22-V25 PolarHBondContact O-N 2.78Å; F22-V25 VanDerWaalsContact O-N 3.09Å; F22-E26 WeakPolarHBondContact O-CB 3.23Å; F22-E26 VanDerWaalsContact O-CG 3.29Å; F22-E26 WeakPolarHBondContact O-CG 3.44Å; F22-E26 PolarHBondContact O-N 3.2Å; F22-I44 HydrophobicContact CD1-CD1 4.48Å; F22-I44 HydrophobicContact CE1-CD1 4.15Å; F22-K73 HydrophobicContact CD1-CB 4.32Å; F22-K73 HydrophobicContact CD1-CD 4.18Å; F22-K73 HydrophobicContact CD1-CG 3.85Å; F22-K73 HydrophobicContact CD2-CG 4.08Å; F22-K73 HydrophobicContact CE1-CB 3.93Å; F22-K73 HydrophobicContact CE1-CG 3.92Å; F22-K73 HydrophobicContact CE2-CG 4.15Å; F22-K73 HydrophobicContact CG-CD 4.34Å; F22-K73 HydrophobicContact CG-CG 3.94Å; F22-K73 HydrophobicContact CZ-CB 4.09Å; F22-K73 HydrophobicContact CZ-CG 4.09Å; F22-V76 HydrophobicContact CE2-CB 3.82Å; F22-V76 HydrophobicContact CE2-CG1 3.65Å; F22-V76 HydrophobicContact CE2-CG2 4.49Å; F22-V76 HydrophobicContact CZ-CB 3.99Å; F22-V76 HydrophobicContact CZ-CG1 4.12Å; F22-V76 HydrophobicContact CZ-CG2 4.2Å; F22-L77 HydrophobicContact CD2-CD2 4.04Å; F22-L77 HydrophobicContact CD2-CG 4.3Å; F22-L77 HydrophobicContact CE2-CD2 4.42Å; F22-L77 HydrophobicContact CE2-CG 4.4Å |
| 23 | K | 91.7 | Very high | 88.5 | Confident | 139 Ų | 139 | 63.8 Ų | 63.8 | 60% | 0.604 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -55.7 | -41.5 | 174.9 | -72.5 | -179 | -179.4 | 179.3 | 0 | 112.2 | A19 L20 W21 E26 A27 | A19-K23 WeakPolarHBondContact O-CG 3.42Å; A19-K23 PolarHBondContact O-N 3.21Å; A19-K23 VanDerWaalsContact O-N 3.08Å; L20-K23 HydrophobicContact CD2-CD 4.34Å; L20-K23 PolarHBondContact O-N 3.46Å; W21-K23 PolarHBondContact O-N 3.39Å; K23-E26 PolarHBondContact O-N 3Å; K23-A27 PolarHBondContact O-N 2.73Å |
| 24 | R | 91.5 | Very high | 88.7 | Confident | 118 Ų | 118 | 64.2 Ų | 64.2 | 45% | 0.445 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 176.9 | -177.8 | 179.7 | 178.1 | -177.3 | 3.4 | 112 | P11 W14 L20 W21 F22 Q28 | P11-R24 HydrophobicContact CG-CG 4.32Å; W14-R24 VanDerWaalsContact CZ2-NH1 3.25Å; L20-R24 PolarHBondContact O-N 3.29Å; W21-R24 WeakPolarHBondContact O-CB 3.48Å; W21-R24 PolarHBondContact O-N 3.12Å; W21-R24 VanDerWaalsContact O-N 3.13Å; F22-R24 VanDerWaalsContact C-N 3.26Å; F22-R24 PolarHBondContact O-N 3.22Å; R24-Q28 PolarHBondContact O-N 3Å |
| 25 | V | 92.3 | Very high | 89 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.3 | -41.6 | 177.9 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | V10 P11 W21 F22 A27 Q28 F29 I44 | V10-V25 HydrophobicContact CG1-CG2 4.36Å; P11-V25 HydrophobicContact CG-CG2 4.04Å; W21-V25 HydrophobicContact CD2-CG2 4.03Å; W21-V25 HydrophobicContact CE3-CG2 4.18Å; W21-V25 HydrophobicContact CH2-CG2 4Å; W21-V25 HydrophobicContact CZ2-CG2 3.84Å; W21-V25 HydrophobicContact CZ3-CG2 4.16Å; W21-V25 WeakPolarHBondContact O-CG2 3.35Å; W21-V25 PolarHBondContact O-N 2.7Å; F22-V25 PolarHBondContact O-N 2.78Å; F22-V25 VanDerWaalsContact O-N 3.09Å; V25-A27 VanDerWaalsContact C-N 3.29Å; V25-A27 PolarHBondContact O-N 3.24Å; V25-Q28 WeakPolarHBondContact O-CA 3.1Å; V25-Q28 WeakPolarHBondContact O-CB 3.26Å; V25-Q28 PolarHBondContact O-N 3.38Å; V25-F29 HydrophobicContact CG1-CD2 4.2Å; V25-F29 HydrophobicContact CG1-CE1 3.94Å; V25-F29 HydrophobicContact CG1-CE2 3.6Å; V25-F29 HydrophobicContact CG1-CZ 3.45Å; V25-F29 VanDerWaalsContact CG1-CZ 3.45Å; V25-F29 PolarHBondContact O-N 3.33Å; V25-I44 HydrophobicContact CB-CD1 4.35Å; V25-I44 HydrophobicContact CG1-CD1 3.64Å |
| 26 | E | 93 | Very high | 89.6 | Confident | 47 Ų | 47 | 64.2 Ų | 64.2 | 22% | 0.22 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.8 | -36.9 | 177.8 | -72.5 | 175.3 | 142.4 | 0 | 0 | 112.2 | F22 K23 Q28 F29 Q30 Y69 K73 | F22-E26 WeakPolarHBondContact O-CB 3.23Å; F22-E26 VanDerWaalsContact O-CG 3.29Å; F22-E26 WeakPolarHBondContact O-CG 3.44Å; F22-E26 PolarHBondContact O-N 3.2Å; K23-E26 PolarHBondContact O-N 3Å; E26-Q28 VanDerWaalsContact C-N 3.3Å; E26-Q28 PolarHBondContact O-N 3.16Å; E26-F29 PolarHBondContact O-N 3.07Å; E26-Q30 WeakPolarHBondContact O-CG 3.36Å; E26-Q30 PolarHBondContact O-N 2.92Å; E26-Y69 WeakPolarHBondContact CG-OH 3.36Å; E26-Y69 PolarHBondContact OE1-OH 2.8Å; E26-Y69 VanDerWaalsContact OE1-OH 3.09Å; E26-K73 VanDerWaalsContact CD-NZ 3.33Å; E26-K73 IonicContact OE1-NZ 2.64Å; E26-K73 PolarHBondContact OE1-NZ 3.32Å; E26-K73 IonicContact OE2-NZ 3.32Å; E26-K73 PolarHBondContact OE2-NZ 2.99Å |
| 27 | A | 92.4 | Very high | 90.4 | Very high | 42 Ų | 42 | 62.1 Ų | 62.1 | 35% | 0.347 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | K23 V25 Q30 I31 | K23-A27 PolarHBondContact O-N 2.73Å; V25-A27 VanDerWaalsContact C-N 3.29Å; V25-A27 PolarHBondContact O-N 3.24Å; A27-Q30 PolarHBondContact O-N 3.26Å; A27-I31 VanDerWaalsContact O-CG1 3.28Å; A27-I31 WeakPolarHBondContact O-CG1 3.42Å; A27-I31 PolarHBondContact O-N 3.16Å |
| 28 | Q | 91.1 | Very high | 91 | Very high | 50 Ų | 50 | 66.3 Ų | 66.3 | 23% | 0.234 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 174.9 | -65.9 | -179.6 | -23.2 | 0 | 0 | 112.2 | V8 K9 R24 V25 E26 Q30 I31 A32 | V8-Q28 HydrophobicContact CG1-CB 3.79Å; V8-Q28 HydrophobicContact CG2-CB 4.36Å; K9-Q28 PolarHBondContact O-NE2 2.95Å; K9-Q28 VanDerWaalsContact O-NE2 3.12Å; K9-Q28 PolarHBondContact O-OE1 2.91Å; R24-Q28 PolarHBondContact O-N 3Å; V25-Q28 WeakPolarHBondContact O-CA 3.1Å; V25-Q28 WeakPolarHBondContact O-CB 3.26Å; V25-Q28 PolarHBondContact O-N 3.38Å; E26-Q28 VanDerWaalsContact C-N 3.3Å; E26-Q28 PolarHBondContact O-N 3.16Å; Q28-Q30 VanDerWaalsContact C-N 3.3Å; Q28-Q30 PolarHBondContact O-N 2.81Å; Q28-I31 PolarHBondContact O-N 3.45Å; Q28-A32 WeakPolarHBondContact O-CB 3.23Å; Q28-A32 PolarHBondContact O-N 3.24Å |
| 29 | F | 93.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 68.7 Ų | 68.7 | 1% | 0.013 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 173.7 | -64.7 | -28.6 | 0 | 0 | 0 | 111.8 | V8 V25 E26 A32 R33 I34 K40 Y43 I44 Y69 | V8-F29 HydrophobicContact CG1-CD1 3.99Å; V8-F29 HydrophobicContact CG1-CE1 3.87Å; V8-F29 HydrophobicContact CG2-CD1 4.3Å; V25-F29 HydrophobicContact CG1-CD2 4.2Å; V25-F29 HydrophobicContact CG1-CE1 3.94Å; V25-F29 HydrophobicContact CG1-CE2 3.6Å; V25-F29 HydrophobicContact CG1-CZ 3.45Å; V25-F29 VanDerWaalsContact CG1-CZ 3.45Å; V25-F29 PolarHBondContact O-N 3.33Å; E26-F29 PolarHBondContact O-N 3.07Å; F29-A32 CarbonylContact O-C 3.52Å; F29-A32 PolarHBondContact O-N 3.47Å; F29-R33 PolarHBondContact O-N 2.81Å; F29-I34 HydrophobicContact CB-CB 4.19Å; F29-I34 HydrophobicContact CD1-CB 4.37Å; F29-I34 HydrophobicContact CD1-CD1 3.89Å; F29-I34 HydrophobicContact CD1-CG2 4.42Å; F29-I34 PolarHBondContact O-N 3.48Å; F29-K40 HydrophobicContact CD2-CB 4.2Å; F29-K40 HydrophobicContact CD2-CD 4.02Å; F29-K40 HydrophobicContact CD2-CG 3.72Å; F29-K40 HydrophobicContact CE2-CB 3.77Å; F29-K40 HydrophobicContact CE2-CD 4.35Å; F29-K40 HydrophobicContact CE2-CG 3.83Å; F29-K40 HydrophobicContact CG-CG 4.16Å; F29-K40 HydrophobicContact CZ-CB 4.12Å; F29-K40 HydrophobicContact CZ-CG 4.37Å; F29-Y43 AromaticContact CE1-CD2 3.86Å; F29-Y43 HydrophobicContact CE1-CD2 3.86Å; F29-Y43 AromaticContact CE1-CG 3.84Å; F29-Y43 HydrophobicContact CE1-CG 3.84Å; F29-Y43 HydrophobicContact CZ-CG 4.5Å; F29-I44 HydrophobicContact CE2-CD1 4.33Å; F29-I44 HydrophobicContact CE2-CG1 4.49Å; F29-I44 HydrophobicContact CZ-CD1 4.13Å; F29-I44 HydrophobicContact CZ-CG1 4.26Å; F29-Y69 AromaticContact CE2-CE2 3.82Å; F29-Y69 HydrophobicContact CE2-CE2 3.82Å |
| 30 | Q | 92 | Very high | 91.6 | Very high | 153 Ų | 153 | 69.8 Ų | 69.8 | 72% | 0.715 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.4 | -46 | 175.5 | -72.3 | 176.8 | -11 | 0 | 0 | 112.1 | E26 A27 Q28 A32 R33 | E26-Q30 WeakPolarHBondContact O-CG 3.36Å; E26-Q30 PolarHBondContact O-N 2.92Å; A27-Q30 PolarHBondContact O-N 3.26Å; Q28-Q30 VanDerWaalsContact C-N 3.3Å; Q28-Q30 PolarHBondContact O-N 2.81Å; Q30-A32 VanDerWaalsContact C-N 3.32Å; Q30-A32 PolarHBondContact O-N 3Å; Q30-R33 PolarHBondContact O-N 3.17Å; Q30-R33 VanDerWaalsContact O-N 3.09Å |
| 31 | I | 91.4 | Very high | 91.8 | Very high | 132 Ų | 132 | 67 Ų | 67 | 68% | 0.677 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.1 | -43.6 | 177.6 | -68 | 164 | 0 | 0 | 0 | 111 | A27 Q28 R33 | A27-I31 VanDerWaalsContact O-CG1 3.28Å; A27-I31 WeakPolarHBondContact O-CG1 3.42Å; A27-I31 PolarHBondContact O-N 3.16Å; Q28-I31 PolarHBondContact O-N 3.45Å; I31-R33 PolarHBondContact O-N 3.44Å |
| 32 | A | 90.8 | Very high | 91.9 | Very high | 28 Ų | 28 | 70.8 Ų | 70.8 | 23% | 0.231 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 3.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | V8 Q28 F29 Q30 I34 | V8-A32 HydrophobicContact CG2-CB 3.44Å; V8-A32 VanDerWaalsContact CG2-CB 3.44Å; Q28-A32 WeakPolarHBondContact O-CB 3.23Å; Q28-A32 PolarHBondContact O-N 3.24Å; F29-A32 CarbonylContact O-C 3.52Å; F29-A32 PolarHBondContact O-N 3.47Å; Q30-A32 VanDerWaalsContact C-N 3.32Å; Q30-A32 PolarHBondContact O-N 3Å; A32-I34 HydrophobicContact CB-CD1 3.77Å; A32-I34 HydrophobicContact CB-CG1 4.02Å; A32-I34 PolarHBondContact O-N 3.08Å |
| 33 | R | 91.4 | Very high | 91.9 | Very high | 220 Ų | 220 | 73 Ų | 73 | 83% | 0.83 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 33.1 | -177.4 | -56.4 | -179.1 | 178.6 | -178.7 | -1.2 | 114 | F29 Q30 I31 T35 | F29-R33 PolarHBondContact O-N 2.81Å; Q30-R33 PolarHBondContact O-N 3.17Å; Q30-R33 VanDerWaalsContact O-N 3.09Å; I31-R33 PolarHBondContact O-N 3.44Å; R33-T35 PolarHBondContact O-N 2.94Å |
| 34 | I | 91 | Very high | 91.9 | Very high | 24 Ų | 24 | 66.3 Ų | 66.3 | 12% | 0.123 | 33% | 0.333 | C | S | . | . | trans | -81.3 | 106.9 | 176.6 | -65.2 | 161.4 | 0 | 0 | 0 | 108.9 | V8 F29 A32 T39 K40 Y43 | V8-I34 HydrophobicContact CB-CD1 4.23Å; V8-I34 HydrophobicContact CG2-CD1 3.46Å; V8-I34 VanDerWaalsContact CG2-CD1 3.46Å; F29-I34 HydrophobicContact CB-CB 4.19Å; F29-I34 HydrophobicContact CD1-CB 4.37Å; F29-I34 HydrophobicContact CD1-CD1 3.89Å; F29-I34 HydrophobicContact CD1-CG2 4.42Å; F29-I34 PolarHBondContact O-N 3.48Å; A32-I34 HydrophobicContact CB-CD1 3.77Å; A32-I34 HydrophobicContact CB-CG1 4.02Å; A32-I34 PolarHBondContact O-N 3.08Å; I34-T39 HydrophobicContact CD1-CG2 4.47Å; I34-T39 HydrophobicContact CG1-CG2 4.31Å; I34-T39 HydrophobicContact CG2-CG2 3.58Å; I34-K40 HydrophobicContact CG2-CG 3.78Å; I34-K40 WeakPolarHBondContact O-CE 3.38Å; I34-Y43 HydrophobicContact CD1-CD2 3.87Å; I34-Y43 HydrophobicContact CD1-CE2 3.33Å; I34-Y43 HydrophobicContact CG1-CE2 4.38Å | ||
| 35 | T | 90.8 | Very high | 91.8 | Very high | 122 Ų | 122 | 62.1 Ų | 62.1 | 75% | 0.748 | 32% | 0.32 | S | S | * | . | trans | -104.9 | -31.2 | 178 | 54.6 | 0 | 0 | 0 | 0 | 112.7 | R33 D37 | R33-T35 PolarHBondContact O-N 2.94Å; T35-D37 PolarHBondContact O-N 3.15Å | ||
| 36 | A | 92.1 | Very high | 91.6 | Very high | 47 Ų | 47 | 71.8 Ų | 71.8 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | trans | -63 | 125.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E38 T39 K40 | A36-E38 VanDerWaalsContact C-N 3.3Å; A36-E38 PolarHBondContact O-N 3.26Å; A36-T39 PolarHBondContact O-N 2.97Å; A36-T39 VanDerWaalsContact O-N 3.14Å; A36-K40 PolarHBondContact O-N 3.16Å | ||
| 37 | D | 92.3 | Very high | 91.2 | Very high | 43 Ų | 43 | 70.7 Ų | 70.7 | 23% | 0.23 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -54.4 | -45.2 | 178.2 | 176.4 | 62.3 | 0 | 0 | 0 | 111.7 | T35 T39 K40 F41 G67 K68 Y69 | T35-D37 PolarHBondContact O-N 3.15Å; D37-T39 PolarHBondContact O-N 3.1Å; D37-K40 PolarHBondContact O-N 2.84Å; D37-F41 WeakPolarHBondContact O-CB 3.22Å; D37-F41 PolarHBondContact O-N 3.21Å; D37-G67 PolarHBondContact OD2-N 2.83Å; D37-G67 VanDerWaalsContact OD2-N 3.09Å; D37-K68 PolarHBondContact OD1-N 3.44Å; D37-K68 WeakPolarHBondContact OD2-CG 3.4Å; D37-K68 PolarHBondContact OD2-N 2.86Å; D37-Y69 WeakPolarHBondContact OD1-CB 3.31Å; D37-Y69 PolarHBondContact OD1-N 3.31Å |
| 38 | E | 91.5 | Very high | 90.8 | Very high | 115 Ų | 115 | 69.5 Ų | 69.5 | 54% | 0.537 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 177 | -176.3 | 176.6 | -179.8 | 0 | 0 | 112.6 | A36 F41 N42 | A36-E38 VanDerWaalsContact C-N 3.3Å; A36-E38 PolarHBondContact O-N 3.26Å; E38-F41 PolarHBondContact O-N 3.25Å; E38-N42 WeakPolarHBondContact O-CB 3.35Å; E38-N42 VanDerWaalsContact O-CG 3.24Å; E38-N42 PolarHBondContact O-N 3.06Å; E38-N42 PolarHBondContact O-ND2 3.02Å |
| 39 | T | 91.7 | Very high | 90.5 | Very high | 55 Ų | 55 | 71.5 Ų | 71.5 | 34% | 0.337 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 178.1 | -52.6 | 0 | 0 | 0 | 0 | 111 | I34 A36 D37 F41 N42 Y43 | I34-T39 HydrophobicContact CD1-CG2 4.47Å; I34-T39 HydrophobicContact CG1-CG2 4.31Å; I34-T39 HydrophobicContact CG2-CG2 3.58Å; A36-T39 PolarHBondContact O-N 2.97Å; A36-T39 VanDerWaalsContact O-N 3.14Å; D37-T39 PolarHBondContact O-N 3.1Å; T39-F41 PolarHBondContact O-N 3.46Å; T39-N42 PolarHBondContact O-N 3.48Å; T39-Y43 HydrophobicContact CG2-CD2 3.85Å; T39-Y43 HydrophobicContact CG2-CE2 3.61Å; T39-Y43 WeakPolarHBondContact O-CD2 3.47Å; T39-Y43 PolarHBondContact O-N 2.77Å |
| 40 | K | 93.4 | Very high | 90.1 | Very high | 54 Ų | 54 | 74.6 Ų | 74.6 | 24% | 0.235 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.6 | -47 | 176 | -66.2 | -179.6 | -178.1 | 173 | 0 | 111.4 | F29 I34 A36 D37 N42 Y43 I44 Y69 | F29-K40 HydrophobicContact CD2-CB 4.2Å; F29-K40 HydrophobicContact CD2-CD 4.02Å; F29-K40 HydrophobicContact CD2-CG 3.72Å; F29-K40 HydrophobicContact CE2-CB 3.77Å; F29-K40 HydrophobicContact CE2-CD 4.35Å; F29-K40 HydrophobicContact CE2-CG 3.83Å; F29-K40 HydrophobicContact CG-CG 4.16Å; F29-K40 HydrophobicContact CZ-CB 4.12Å; F29-K40 HydrophobicContact CZ-CG 4.37Å; I34-K40 HydrophobicContact CG2-CG 3.78Å; I34-K40 WeakPolarHBondContact O-CE 3.38Å; A36-K40 PolarHBondContact O-N 3.16Å; D37-K40 PolarHBondContact O-N 2.84Å; K40-N42 PolarHBondContact O-N 2.98Å; K40-Y43 PolarHBondContact O-N 2.9Å; K40-I44 WeakPolarHBondContact O-CG1 3.1Å; K40-I44 PolarHBondContact O-N 3.43Å; K40-Y69 HydrophobicContact CB-CD2 3.61Å; K40-Y69 HydrophobicContact CB-CE2 4.12Å; K40-Y69 HydrophobicContact CB-CG 3.89Å; K40-Y69 HydrophobicContact CD-CD1 4.28Å; K40-Y69 HydrophobicContact CD-CE1 4.49Å; K40-Y69 HydrophobicContact CD-CG 4.33Å |
| 41 | F | 92.6 | Very high | 89.7 | Confident | 11 Ų | 11 | 71 Ų | 71 | 5% | 0.048 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.6 | -49.3 | 177.2 | 174.8 | -96.9 | 0 | 0 | 0 | 112.1 | D37 E38 T39 Y43 I44 V45 I59 P63 K68 L72 | D37-F41 WeakPolarHBondContact O-CB 3.22Å; D37-F41 PolarHBondContact O-N 3.21Å; E38-F41 PolarHBondContact O-N 3.25Å; T39-F41 PolarHBondContact O-N 3.46Å; F41-Y43 VanDerWaalsContact C-N 3.31Å; F41-Y43 PolarHBondContact O-N 2.59Å; F41-I44 PolarHBondContact O-N 3.3Å; F41-I44 VanDerWaalsContact O-N 3.14Å; F41-V45 HydrophobicContact CD1-CG2 4.07Å; F41-V45 HydrophobicContact CD2-CG2 4.27Å; F41-V45 HydrophobicContact CE1-CG2 3.77Å; F41-V45 HydrophobicContact CE2-CG2 3.99Å; F41-V45 HydrophobicContact CG-CG2 4.33Å; F41-V45 HydrophobicContact CZ-CG2 3.74Å; F41-V45 WeakPolarHBondContact O-CB 3.46Å; F41-V45 WeakPolarHBondContact O-CG2 3.34Å; F41-V45 PolarHBondContact O-N 3.1Å; F41-I59 HydrophobicContact CE2-CG2 4.45Å; F41-P63 HydrophobicContact CE1-CB 4.42Å; F41-P63 HydrophobicContact CZ-CB 4.08Å; F41-K68 HydrophobicContact CB-CD 3.87Å; F41-K68 HydrophobicContact CB-CG 3.56Å; F41-K68 HydrophobicContact CD1-CD 3.78Å; F41-K68 HydrophobicContact CD1-CG 4.13Å; F41-K68 HydrophobicContact CD2-CB 4.1Å; F41-K68 HydrophobicContact CD2-CD 4.17Å; F41-K68 HydrophobicContact CD2-CG 3.61Å; F41-K68 HydrophobicContact CE1-CD 4.31Å; F41-K68 HydrophobicContact CE2-CB 4.4Å; F41-K68 HydrophobicContact CE2-CG 4.26Å; F41-K68 HydrophobicContact CG-CB 4.47Å; F41-K68 HydrophobicContact CG-CD 3.69Å; F41-K68 HydrophobicContact CG-CG 3.51Å; F41-L72 HydrophobicContact CD2-CB 4.37Å; F41-L72 HydrophobicContact CD2-CD2 3.76Å; F41-L72 HydrophobicContact CE2-CB 4.45Å; F41-L72 HydrophobicContact CE2-CD2 3.88Å |
| 42 | N | 91.4 | Very high | 89.3 | Confident | 82 Ų | 82 | 64.7 Ų | 64.7 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.5 | -38.1 | 179.7 | -71.7 | -20.2 | 0 | 0 | 0 | 112.3 | E38 T39 K40 R46 | E38-N42 WeakPolarHBondContact O-CB 3.35Å; E38-N42 VanDerWaalsContact O-CG 3.24Å; E38-N42 PolarHBondContact O-N 3.06Å; E38-N42 PolarHBondContact O-ND2 3.02Å; T39-N42 PolarHBondContact O-N 3.48Å; K40-N42 PolarHBondContact O-N 2.98Å; N42-R46 VanDerWaalsContact O-CB 3.26Å; N42-R46 WeakPolarHBondContact O-CB 3.45Å; N42-R46 PolarHBondContact O-N 2.86Å |
| 43 | Y | 91.8 | Very high | 89.1 | Confident | 47 Ų | 47 | 66.4 Ų | 66.4 | 18% | 0.184 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 173.3 | -86.8 | -67.6 | 0 | 0 | 0 | 111.9 | V8 V10 F29 I34 T39 K40 F41 R46 G47 | V8-Y43 HydrophobicContact CB-CD1 3.93Å; V8-Y43 HydrophobicContact CB-CE1 3.66Å; V8-Y43 HydrophobicContact CB-CE2 4.34Å; V8-Y43 HydrophobicContact CB-CG 4.39Å; V8-Y43 HydrophobicContact CG1-CD1 4.29Å; V8-Y43 HydrophobicContact CG1-CE1 4.49Å; V8-Y43 WeakPolarHBondContact O-CD1 3.48Å; V8-Y43 VanDerWaalsContact O-CE1 3.22Å; V8-Y43 WeakPolarHBondContact O-CE1 3.38Å; V10-Y43 HydrophobicContact CG2-CD1 4.47Å; V10-Y43 WeakPolarHBondContact CG2-O 3.36Å; F29-Y43 AromaticContact CE1-CD2 3.86Å; F29-Y43 HydrophobicContact CE1-CD2 3.86Å; F29-Y43 AromaticContact CE1-CG 3.84Å; F29-Y43 HydrophobicContact CE1-CG 3.84Å; F29-Y43 HydrophobicContact CZ-CG 4.5Å; I34-Y43 HydrophobicContact CD1-CD2 3.87Å; I34-Y43 HydrophobicContact CD1-CE2 3.33Å; I34-Y43 HydrophobicContact CG1-CE2 4.38Å; T39-Y43 HydrophobicContact CG2-CD2 3.85Å; T39-Y43 HydrophobicContact CG2-CE2 3.61Å; T39-Y43 WeakPolarHBondContact O-CD2 3.47Å; T39-Y43 PolarHBondContact O-N 2.77Å; K40-Y43 PolarHBondContact O-N 2.9Å; F41-Y43 VanDerWaalsContact C-N 3.31Å; F41-Y43 PolarHBondContact O-N 2.59Å; Y43-R46 PolarHBondContact O-N 2.76Å; Y43-G47 PolarHBondContact O-N 3.43Å; Y43-G47 VanDerWaalsContact O-N 3.11Å |
| 44 | I | 91.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.9 | -50.2 | 179 | -63.1 | -61 | 0 | 0 | 0 | 110.8 | W21 F22 V25 F29 K40 F41 R46 G47 M48 Y69 L72 | W21-I44 HydrophobicContact CH2-CD1 3.76Å; W21-I44 HydrophobicContact CH2-CG2 4.4Å; W21-I44 HydrophobicContact CZ3-CD1 3.93Å; F22-I44 HydrophobicContact CD1-CD1 4.48Å; F22-I44 HydrophobicContact CE1-CD1 4.15Å; V25-I44 HydrophobicContact CB-CD1 4.35Å; V25-I44 HydrophobicContact CG1-CD1 3.64Å; F29-I44 HydrophobicContact CE2-CD1 4.33Å; F29-I44 HydrophobicContact CE2-CG1 4.49Å; F29-I44 HydrophobicContact CZ-CD1 4.13Å; F29-I44 HydrophobicContact CZ-CG1 4.26Å; K40-I44 WeakPolarHBondContact O-CG1 3.1Å; K40-I44 PolarHBondContact O-N 3.43Å; F41-I44 PolarHBondContact O-N 3.3Å; F41-I44 VanDerWaalsContact O-N 3.14Å; I44-R46 VanDerWaalsContact C-N 3.29Å; I44-R46 PolarHBondContact O-N 3.39Å; I44-G47 CarbonylContact O-C 3.23Å; I44-G47 PolarHBondContact O-N 2.85Å; I44-M48 HydrophobicContact CG2-CE 3.51Å; I44-M48 HydrophobicContact CG2-CG 4.11Å; I44-M48 HydrophobicContact CG2-SD 4.21Å; I44-M48 WeakPolarHBondContact O-CG 3.46Å; I44-M48 PolarHBondContact O-N 3.06Å; I44-Y69 HydrophobicContact CD1-CE2 4.13Å; I44-Y69 HydrophobicContact CG1-CD2 3.97Å; I44-Y69 HydrophobicContact CG1-CE2 3.63Å; I44-L72 HydrophobicContact CB-CD2 4.15Å; I44-L72 HydrophobicContact CG2-CD2 3.64Å; I44-L72 HydrophobicContact CG2-CG 4.49Å |
| 45 | V | 90 | Very high | 88.3 | Confident | 30 Ų | 30 | 65.2 Ų | 65.2 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.1 | -46 | 178 | 168.5 | 0 | 0 | 0 | 0 | 110.4 | F41 G47 M48 F53 V60 L72 | F41-V45 HydrophobicContact CD1-CG2 4.07Å; F41-V45 HydrophobicContact CD2-CG2 4.27Å; F41-V45 HydrophobicContact CE1-CG2 3.77Å; F41-V45 HydrophobicContact CE2-CG2 3.99Å; F41-V45 HydrophobicContact CG-CG2 4.33Å; F41-V45 HydrophobicContact CZ-CG2 3.74Å; F41-V45 WeakPolarHBondContact O-CB 3.46Å; F41-V45 WeakPolarHBondContact O-CG2 3.34Å; F41-V45 PolarHBondContact O-N 3.1Å; V45-G47 VanDerWaalsContact C-N 3.25Å; V45-G47 PolarHBondContact O-N 2.92Å; V45-M48 PolarHBondContact O-N 3.03Å; V45-F53 HydrophobicContact CG1-CE1 3.89Å; V45-F53 HydrophobicContact CG1-CZ 3.78Å; V45-F53 WeakPolarHBondContact O-CE2 3.01Å; V45-F53 WeakPolarHBondContact O-CZ 3.35Å; V45-V60 HydrophobicContact CG1-CG1 4.43Å; V45-V60 HydrophobicContact CG2-CG2 4.3Å; V45-L72 HydrophobicContact CG2-CD2 4.22Å |
| 46 | R | 87.6 | Confident | 88.1 | Confident | 202 Ų | 202 | 59.5 Ų | 59.5 | 76% | 0.762 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -59.1 | -34.7 | 176.8 | -179.4 | -178.9 | 176 | -165.5 | 1 | 113.4 | N42 Y43 I44 | N42-R46 VanDerWaalsContact O-CB 3.26Å; N42-R46 WeakPolarHBondContact O-CB 3.45Å; N42-R46 PolarHBondContact O-N 2.86Å; Y43-R46 PolarHBondContact O-N 2.76Å; I44-R46 VanDerWaalsContact C-N 3.29Å; I44-R46 PolarHBondContact O-N 3.39Å |
| 47 | G | 84.6 | Confident | 87.8 | Confident | 24 Ų | 24 | 62.8 Ų | 62.8 | 25% | 0.247 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -92.2 | -2.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y43 I44 V45 | Y43-G47 PolarHBondContact O-N 3.43Å; Y43-G47 VanDerWaalsContact O-N 3.11Å; I44-G47 CarbonylContact O-C 3.23Å; I44-G47 PolarHBondContact O-N 2.85Å; V45-G47 VanDerWaalsContact C-N 3.25Å; V45-G47 PolarHBondContact O-N 2.92Å |
| 48 | M | 84.8 | Confident | 87.5 | Confident | 17 Ų | 17 | 66 Ų | 66 | 8% | 0.084 | 33% | 0.328 | C | S | . | . | trans | -75.5 | 136.6 | -176.3 | -87.8 | -176.9 | 168.7 | 0 | 0 | 111.9 | I44 V45 I52 F53 L72 V76 | I44-M48 HydrophobicContact CG2-CE 3.51Å; I44-M48 HydrophobicContact CG2-CG 4.11Å; I44-M48 HydrophobicContact CG2-SD 4.21Å; I44-M48 WeakPolarHBondContact O-CG 3.46Å; I44-M48 PolarHBondContact O-N 3.06Å; V45-M48 PolarHBondContact O-N 3.03Å; M48-I52 HydrophobicContact CE-CG2 3.68Å; M48-I52 HydrophobicContact CG-CB 4.43Å; M48-I52 HydrophobicContact CG-CG2 4.05Å; M48-I52 HydrophobicContact SD-CG2 3.92Å; M48-F53 HydrophobicContact CB-CD2 3.66Å; M48-F53 HydrophobicContact CB-CE1 4.41Å; M48-F53 HydrophobicContact CB-CE2 3.41Å; M48-F53 VanDerWaalsContact CB-CE2 3.41Å; M48-F53 HydrophobicContact CB-CG 4.29Å; M48-F53 HydrophobicContact CB-CZ 3.85Å; M48-F53 WeakPolarHBondContact O-CD2 2.99Å; M48-F53 WeakPolarHBondContact O-CE2 3.27Å; M48-L72 HydrophobicContact CE-CD1 3.62Å; M48-L72 HydrophobicContact CE-CD2 3.7Å; M48-L72 HydrophobicContact CE-CG 3.67Å; M48-L72 HydrophobicContact SD-CD1 4.34Å; M48-L72 HydrophobicContact SD-CD2 4.36Å; M48-V76 HydrophobicContact CE-CG2 3.63Å | ||
| 49 | E | 84.8 | Confident | 87.4 | Confident | 92 Ų | 92 | 62.1 Ų | 62.1 | 43% | 0.43 | 31% | 0.311 | S | S | . | . | trans | -84 | 152.7 | 172 | -62.3 | 175.3 | -163.1 | 0 | 0 | 110.6 | P51 I52 F53 | E49-P51 VanDerWaalsContact C-N 3.35Å; E49-P51 HydrophobicContact CB-CG 4.27Å; E49-P51 VanDerWaalsContact O-N 3.14Å; E49-I52 HydrophobicContact CB-CD1 4.37Å; E49-I52 WeakPolarHBondContact O-CB 2.86Å; E49-I52 PolarHBondContact O-N 3.32Å; E49-F53 PolarHBondContact O-N 3.17Å; E49-F53 VanDerWaalsContact O-N 3.16Å | ||
| 50 | A | 85.4 | Confident | 87.2 | Confident | 68 Ų | 68 | 61.3 Ų | 61.3 | 56% | 0.562 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -44.8 | -43.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | I52 F53 K54 | A50-I52 VanDerWaalsContact C-N 3.28Å; A50-I52 PolarHBondContact O-N 3.44Å; A50-F53 PolarHBondContact O-N 3.18Å; A50-K54 WeakPolarHBondContact O-CG 3.37Å; A50-K54 PolarHBondContact O-N 3.11Å; A50-K54 VanDerWaalsContact O-N 3.1Å |
| 51 | P | 82.3 | Confident | 86.9 | Confident | 77 Ų | 77 | 65.3 Ų | 65.3 | 50% | 0.5 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.4 | -31.6 | 177.9 | 23.4 | -34.7 | 0 | 0 | 0 | 113.6 | E49 Q55 | E49-P51 VanDerWaalsContact C-N 3.35Å; E49-P51 HydrophobicContact CB-CG 4.27Å; E49-P51 VanDerWaalsContact O-N 3.14Å; P51-Q55 WeakPolarHBondContact O-CG 3.29Å |
| 52 | I | 83 | Confident | 86.6 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -76.4 | -42.1 | 179.2 | -53.1 | 166.2 | 0 | 0 | 0 | 109.6 | F13 M48 E49 A50 K54 Q55 C56 V76 F80 | F13-I52 HydrophobicContact CB-CD1 3.55Å; F13-I52 HydrophobicContact CD1-CD1 3.33Å; F13-I52 HydrophobicContact CD1-CG1 4.03Å; F13-I52 HydrophobicContact CD2-CD1 3.64Å; F13-I52 HydrophobicContact CE1-CD1 3.82Å; F13-I52 HydrophobicContact CE1-CG1 4.15Å; F13-I52 HydrophobicContact CE2-CD1 4.11Å; F13-I52 HydrophobicContact CG-CD1 3.2Å; F13-I52 HydrophobicContact CG-CG1 4.35Å; F13-I52 HydrophobicContact CZ-CD1 4.17Å; M48-I52 HydrophobicContact CE-CG2 3.68Å; M48-I52 HydrophobicContact CG-CB 4.43Å; M48-I52 HydrophobicContact CG-CG2 4.05Å; M48-I52 HydrophobicContact SD-CG2 3.92Å; E49-I52 HydrophobicContact CB-CD1 4.37Å; E49-I52 WeakPolarHBondContact O-CB 2.86Å; E49-I52 PolarHBondContact O-N 3.32Å; A50-I52 VanDerWaalsContact C-N 3.28Å; A50-I52 PolarHBondContact O-N 3.44Å; I52-K54 VanDerWaalsContact C-N 3.32Å; I52-K54 PolarHBondContact O-N 3.11Å; I52-Q55 WeakPolarHBondContact O-CB 3.35Å; I52-Q55 PolarHBondContact O-N 3.06Å; I52-C56 PolarHBondContact O-N 2.75Å; I52-C56 VanDerWaalsContact O-N 3.09Å; I52-V76 HydrophobicContact CG2-CG2 4Å; I52-F80 HydrophobicContact CG1-CE2 4.29Å; I52-F80 HydrophobicContact CG1-CZ 4.12Å |
| 53 | F | 86 | Confident | 86.3 | Confident | 64 Ų | 64 | 69.4 Ų | 69.4 | 28% | 0.281 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -54.6 | -47.4 | 174.6 | -92.9 | -64.9 | 0 | 0 | 0 | 112.1 | V45 M48 E49 A50 Q55 C56 F57 V60 | V45-F53 HydrophobicContact CG1-CE1 3.89Å; V45-F53 HydrophobicContact CG1-CZ 3.78Å; V45-F53 WeakPolarHBondContact O-CE2 3.01Å; V45-F53 WeakPolarHBondContact O-CZ 3.35Å; M48-F53 HydrophobicContact CB-CD2 3.66Å; M48-F53 HydrophobicContact CB-CE1 4.41Å; M48-F53 HydrophobicContact CB-CE2 3.41Å; M48-F53 VanDerWaalsContact CB-CE2 3.41Å; M48-F53 HydrophobicContact CB-CG 4.29Å; M48-F53 HydrophobicContact CB-CZ 3.85Å; M48-F53 WeakPolarHBondContact O-CD2 2.99Å; M48-F53 WeakPolarHBondContact O-CE2 3.27Å; E49-F53 PolarHBondContact O-N 3.17Å; E49-F53 VanDerWaalsContact O-N 3.16Å; A50-F53 PolarHBondContact O-N 3.18Å; F53-Q55 PolarHBondContact O-N 3.06Å; F53-Q55 VanDerWaalsContact O-N 3.14Å; F53-C56 CarbonylContact O-C 3.52Å; F53-C56 PolarHBondContact O-N 3.2Å; F53-F57 WeakPolarHBondContact O-CA 3.47Å; F53-F57 PolarHBondContact O-N 3.43Å; F53-V60 HydrophobicContact CD1-CG1 4.44Å; F53-V60 HydrophobicContact CD1-CG2 4.22Å; F53-V60 HydrophobicContact CE1-CG1 4Å; F53-V60 HydrophobicContact CE1-CG2 4.17Å |
| 54 | K | 85.3 | Confident | 86 | Confident | 162 Ų | 162 | 70.5 Ų | 70.5 | 70% | 0.704 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -57.1 | -30.6 | 176.6 | -73.3 | -178 | 179 | -176.3 | 0 | 113.1 | A50 I52 F57 | A50-K54 WeakPolarHBondContact O-CG 3.37Å; A50-K54 PolarHBondContact O-N 3.11Å; A50-K54 VanDerWaalsContact O-N 3.1Å; I52-K54 VanDerWaalsContact C-N 3.32Å; I52-K54 PolarHBondContact O-N 3.11Å; K54-F57 WeakPolarHBondContact O-CD1 3.39Å |
| 55 | Q | 82.3 | Confident | 85.5 | Confident | 57 Ų | 57 | 75.1 Ų | 75.1 | 27% | 0.266 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -81.1 | -28 | 178.4 | -62 | -60.2 | -18.6 | 0 | 0 | 112.9 | P51 I52 F53 R75 R79 | P51-Q55 WeakPolarHBondContact O-CG 3.29Å; I52-Q55 WeakPolarHBondContact O-CB 3.35Å; I52-Q55 PolarHBondContact O-N 3.06Å; F53-Q55 PolarHBondContact O-N 3.06Å; F53-Q55 VanDerWaalsContact O-N 3.14Å; Q55-R75 PolarHBondContact O-NH1 2.97Å; Q55-R75 PolarHBondContact O-NH2 3.23Å; Q55-R79 HydrophobicContact CB-CG 4.09Å; Q55-R79 HydrophobicContact CG-CG 3.89Å |
| 56 | C | 85.9 | Confident | 85.4 | Confident | 2 Ų | 2 | 81.9 Ų | 81.9 | 1% | 0.014 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -112.1 | 8.2 | -172.7 | -53.7 | 0 | 0 | 0 | 0 | 113.5 | I52 F53 L58 I59 V60 L72 V76 | I52-C56 PolarHBondContact O-N 2.75Å; I52-C56 VanDerWaalsContact O-N 3.09Å; F53-C56 CarbonylContact O-C 3.52Å; F53-C56 PolarHBondContact O-N 3.2Å; C56-L58 PolarHBondContact O-N 2.9Å; C56-L58 VanDerWaalsContact O-N 3.11Å; C56-I59 PolarHBondContact O-N 3.47Å; C56-V60 PolarHBondContact O-N 3.2Å; C56-L72 HydrophobicContact CB-CD1 3.57Å; C56-V76 WeakPolarHBondContact SG-CG2 3.32Å |
| 57 | F | 86.3 | Confident | 85.5 | Confident | 115 Ų | 115 | 73.8 Ų | 73.8 | 50% | 0.504 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -52.5 | -40.9 | -169.8 | 82.6 | -88.6 | 0 | 0 | 0 | 112.8 | F53 K54 I59 V60 D61 | F53-F57 WeakPolarHBondContact O-CA 3.47Å; F53-F57 PolarHBondContact O-N 3.43Å; K54-F57 WeakPolarHBondContact O-CD1 3.39Å; F57-I59 VanDerWaalsContact C-N 3.25Å; F57-I59 PolarHBondContact O-N 2.79Å; F57-V60 PolarHBondContact O-N 2.96Å; F57-V60 VanDerWaalsContact O-N 3.08Å; F57-D61 VanDerWaalsContact O-CB 3.24Å; F57-D61 WeakPolarHBondContact O-CB 3.29Å; F57-D61 PolarHBondContact O-N 3.15Å |
| 58 | L | 85.8 | Confident | 85.8 | Confident | 110 Ų | 110 | 73.9 Ų | 73.9 | 58% | 0.576 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -58.7 | -35.9 | 179.2 | -68.4 | 172.2 | 0 | 0 | 0 | 113.1 | C56 N62 | C56-L58 PolarHBondContact O-N 2.9Å; C56-L58 VanDerWaalsContact O-N 3.11Å; L58-N62 PolarHBondContact O-N 3.34Å |
| 59 | I | 88.2 | Confident | 86.2 | Confident | 34 Ų | 34 | 73.1 Ų | 73.1 | 17% | 0.174 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -78.8 | -32 | 179.6 | -58.1 | 178.8 | 0 | 0 | 0 | 110.5 | F41 C56 F57 P63 A71 L72 R75 | F41-I59 HydrophobicContact CE2-CG2 4.45Å; C56-I59 PolarHBondContact O-N 3.47Å; F57-I59 VanDerWaalsContact C-N 3.25Å; F57-I59 PolarHBondContact O-N 2.79Å; I59-P63 VanDerWaalsContact O-CA 3.31Å; I59-P63 WeakPolarHBondContact O-CA 3.25Å; I59-A71 HydrophobicContact CG2-CB 4.39Å; I59-L72 HydrophobicContact CG2-CB 4.21Å; I59-L72 HydrophobicContact CG2-CD1 4.33Å; I59-R75 HydrophobicContact CD1-CB 3.38Å; I59-R75 HydrophobicContact CD1-CG 3.64Å |
| 60 | V | 87.7 | Confident | 86.5 | Confident | 39 Ų | 39 | 72.8 Ų | 72.8 | 24% | 0.236 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -76.1 | -40.9 | 179.2 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | V45 F53 C56 F57 L72 | V45-V60 HydrophobicContact CG1-CG1 4.43Å; V45-V60 HydrophobicContact CG2-CG2 4.3Å; F53-V60 HydrophobicContact CD1-CG1 4.44Å; F53-V60 HydrophobicContact CD1-CG2 4.22Å; F53-V60 HydrophobicContact CE1-CG1 4Å; F53-V60 HydrophobicContact CE1-CG2 4.17Å; C56-V60 PolarHBondContact O-N 3.2Å; F57-V60 PolarHBondContact O-N 2.96Å; F57-V60 VanDerWaalsContact O-N 3.08Å; V60-L72 HydrophobicContact CG2-CD1 4.36Å |
| 61 | D | 87.6 | Confident | 86.8 | Confident | 138 Ų | 138 | 70.7 Ų | 70.7 | 74% | 0.738 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -74.5 | -37 | -176.9 | -165 | 49.2 | 0 | 0 | 0 | 111.9 | F57 | F57-D61 VanDerWaalsContact O-CB 3.24Å; F57-D61 WeakPolarHBondContact O-CB 3.29Å; F57-D61 PolarHBondContact O-N 3.15Å |
| 62 | N | 86.8 | Confident | 87.2 | Confident | 130 Ų | 130 | 67 Ų | 67 | 70% | 0.695 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -129.3 | 76.5 | 175.8 | -168.5 | 24.5 | 0 | 0 | 0 | 111.1 | L58 | L58-N62 PolarHBondContact O-N 3.34Š|
| 63 | P | 84.5 | Confident | 87.7 | Confident | 49 Ų | 49 | 68.9 Ų | 68.9 | 32% | 0.318 | 37% | 0.372 | S | S | . | . | trans | -69.6 | 135.1 | -179.4 | 28.3 | -33 | 0 | 0 | 0 | 110.8 | F41 I59 K68 | F41-P63 HydrophobicContact CE1-CB 4.42Å; F41-P63 HydrophobicContact CZ-CB 4.08Å; I59-P63 VanDerWaalsContact O-CA 3.31Å; I59-P63 WeakPolarHBondContact O-CA 3.25Å; P63-K68 HydrophobicContact CB-CB 4.31Å; P63-K68 HydrophobicContact CB-CD 4.25Å | ||
| 64 | S | 85.9 | Confident | 87.9 | Confident | 70 Ų | 70 | 72.6 Ų | 72.6 | 49% | 0.49 | 38% | 0.384 | S | S | . | . | trans | -60.1 | 151.7 | 170.3 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | E66 K68 | S64-E66 VanDerWaalsContact C-N 3.26Å; S64-E66 PolarHBondContact O-N 3.24Å; S64-K68 WeakPolarHBondContact O-CE 3.17Å | ||
| 65 | A | 81.6 | Confident | 88.1 | Confident | 96 Ų | 96 | 68.9 Ų | 68.9 | 79% | 0.793 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -59.5 | -39.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 66 | E | 86.5 | Confident | 88.5 | Confident | 172 Ų | 172 | 66.2 Ų | 66.2 | 80% | 0.804 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -128.3 | 149.4 | 179.7 | -63.2 | -177.7 | 176.1 | 0 | 0 | 111.2 | S64 K68 | S64-E66 VanDerWaalsContact C-N 3.26Å; S64-E66 PolarHBondContact O-N 3.24Å; E66-K68 VanDerWaalsContact C-N 3.31Å; E66-K68 PolarHBondContact O-N 3.5Å |
| 67 | G | 89.9 | Confident | 88.6 | Confident | 32 Ų | 32 | 68.4 Ų | 68.4 | 33% | 0.33 | 37% | 0.365 | S | S | . | . | trans | 70.9 | 23.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D37 Y69 E70 A71 | D37-G67 PolarHBondContact OD2-N 2.83Å; D37-G67 VanDerWaalsContact OD2-N 3.09Å; G67-Y69 VanDerWaalsContact C-N 3.3Å; G67-Y69 PolarHBondContact O-N 3.4Å; G67-E70 PolarHBondContact O-N 3.38Å; G67-A71 WeakPolarHBondContact O-CB 3.16Å; G67-A71 PolarHBondContact O-N 2.93Å | ||
| 68 | K | 91.5 | Very high | 88.5 | Confident | 26 Ų | 26 | 67.1 Ų | 67.1 | 11% | 0.113 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.8 | -32 | -176 | 76.5 | -167.5 | 74.6 | -178.1 | 0 | 111.6 | D37 F41 P63 S64 E66 L72 | D37-K68 PolarHBondContact OD1-N 3.44Å; D37-K68 WeakPolarHBondContact OD2-CG 3.4Å; D37-K68 PolarHBondContact OD2-N 2.86Å; F41-K68 HydrophobicContact CB-CD 3.87Å; F41-K68 HydrophobicContact CB-CG 3.56Å; F41-K68 HydrophobicContact CD1-CD 3.78Å; F41-K68 HydrophobicContact CD1-CG 4.13Å; F41-K68 HydrophobicContact CD2-CB 4.1Å; F41-K68 HydrophobicContact CD2-CD 4.17Å; F41-K68 HydrophobicContact CD2-CG 3.61Å; F41-K68 HydrophobicContact CE1-CD 4.31Å; F41-K68 HydrophobicContact CE2-CB 4.4Å; F41-K68 HydrophobicContact CE2-CG 4.26Å; F41-K68 HydrophobicContact CG-CB 4.47Å; F41-K68 HydrophobicContact CG-CD 3.69Å; F41-K68 HydrophobicContact CG-CG 3.51Å; P63-K68 HydrophobicContact CB-CB 4.31Å; P63-K68 HydrophobicContact CB-CD 4.25Å; S64-K68 WeakPolarHBondContact O-CE 3.17Å; E66-K68 VanDerWaalsContact C-N 3.31Å; E66-K68 PolarHBondContact O-N 3.5Å; K68-L72 WeakPolarHBondContact O-CB 3.5Å; K68-L72 PolarHBondContact O-N 3.5Å |
| 69 | Y | 92.4 | Very high | 88.4 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.008 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.7 | -48.5 | 172.7 | 172.5 | -99.7 | 0 | 0 | 0 | 111.6 | E26 F29 D37 K40 I44 G67 A71 L72 K73 | E26-Y69 WeakPolarHBondContact CG-OH 3.36Å; E26-Y69 PolarHBondContact OE1-OH 2.8Å; E26-Y69 VanDerWaalsContact OE1-OH 3.09Å; F29-Y69 AromaticContact CE2-CE2 3.82Å; F29-Y69 HydrophobicContact CE2-CE2 3.82Å; D37-Y69 WeakPolarHBondContact OD1-CB 3.31Å; D37-Y69 PolarHBondContact OD1-N 3.31Å; K40-Y69 HydrophobicContact CB-CD2 3.61Å; K40-Y69 HydrophobicContact CB-CE2 4.12Å; K40-Y69 HydrophobicContact CB-CG 3.89Å; K40-Y69 HydrophobicContact CD-CD1 4.28Å; K40-Y69 HydrophobicContact CD-CE1 4.49Å; K40-Y69 HydrophobicContact CD-CG 4.33Å; I44-Y69 HydrophobicContact CD1-CE2 4.13Å; I44-Y69 HydrophobicContact CG1-CD2 3.97Å; I44-Y69 HydrophobicContact CG1-CE2 3.63Å; G67-Y69 VanDerWaalsContact C-N 3.3Å; G67-Y69 PolarHBondContact O-N 3.4Å; Y69-A71 VanDerWaalsContact C-N 3.35Å; Y69-A71 PolarHBondContact O-N 2.74Å; Y69-L72 PolarHBondContact O-N 3.4Å; Y69-K73 HydrophobicContact CE1-CD 4.03Å; Y69-K73 WeakPolarHBondContact O-CB 3.2Å; Y69-K73 PolarHBondContact O-N 2.74Å |
| 70 | E | 92 | Very high | 88 | Confident | 84 Ų | 84 | 66 Ų | 66 | 39% | 0.393 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | -179 | -70.8 | -57.8 | 142.5 | 0 | 0 | 111.8 | G67 K73 R74 | G67-E70 PolarHBondContact O-N 3.38Å; E70-K73 PolarHBondContact O-N 3.23Å; E70-R74 VanDerWaalsContact O-CB 3.29Å; E70-R74 WeakPolarHBondContact O-CB 3.48Å; E70-R74 PolarHBondContact O-N 3.01Å |
| 71 | A | 91.4 | Very high | 87.4 | Confident | 24 Ų | 24 | 65.2 Ų | 65.2 | 20% | 0.198 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I59 G67 Y69 R75 | I59-A71 HydrophobicContact CG2-CB 4.39Å; G67-A71 WeakPolarHBondContact O-CB 3.16Å; G67-A71 PolarHBondContact O-N 2.93Å; Y69-A71 VanDerWaalsContact C-N 3.35Å; Y69-A71 PolarHBondContact O-N 2.74Å; A71-R75 WeakPolarHBondContact O-CB 3.45Å; A71-R75 PolarHBondContact O-N 3.26Å |
| 72 | L | 91.8 | Very high | 86.5 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.1 | -48.5 | 177.7 | -175.4 | 62.9 | 0 | 0 | 0 | 111.6 | F41 I44 V45 M48 C56 I59 V60 K68 Y69 R74 R75 V76 | F41-L72 HydrophobicContact CD2-CB 4.37Å; F41-L72 HydrophobicContact CD2-CD2 3.76Å; F41-L72 HydrophobicContact CE2-CB 4.45Å; F41-L72 HydrophobicContact CE2-CD2 3.88Å; I44-L72 HydrophobicContact CB-CD2 4.15Å; I44-L72 HydrophobicContact CG2-CD2 3.64Å; I44-L72 HydrophobicContact CG2-CG 4.49Å; V45-L72 HydrophobicContact CG2-CD2 4.22Å; M48-L72 HydrophobicContact CE-CD1 3.62Å; M48-L72 HydrophobicContact CE-CD2 3.7Å; M48-L72 HydrophobicContact CE-CG 3.67Å; M48-L72 HydrophobicContact SD-CD1 4.34Å; M48-L72 HydrophobicContact SD-CD2 4.36Å; C56-L72 HydrophobicContact CB-CD1 3.57Å; I59-L72 HydrophobicContact CG2-CB 4.21Å; I59-L72 HydrophobicContact CG2-CD1 4.33Å; V60-L72 HydrophobicContact CG2-CD1 4.36Å; K68-L72 WeakPolarHBondContact O-CB 3.5Å; K68-L72 PolarHBondContact O-N 3.5Å; Y69-L72 PolarHBondContact O-N 3.4Å; L72-R74 PolarHBondContact O-N 3.16Å; L72-R75 PolarHBondContact O-N 3.47Å; L72-V76 WeakPolarHBondContact O-CG2 3.41Å; L72-V76 PolarHBondContact O-N 3.22Å |
| 73 | K | 92.3 | Very high | 85.7 | Confident | 39 Ų | 39 | 59.2 Ų | 59.2 | 17% | 0.17 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.2 | -50.6 | 177.9 | 178.5 | 179 | 177.2 | -175.7 | 0 | 111.1 | F22 E26 Y69 E70 R75 V76 L77 | F22-K73 HydrophobicContact CD1-CB 4.32Å; F22-K73 HydrophobicContact CD1-CD 4.18Å; F22-K73 HydrophobicContact CD1-CG 3.85Å; F22-K73 HydrophobicContact CD2-CG 4.08Å; F22-K73 HydrophobicContact CE1-CB 3.93Å; F22-K73 HydrophobicContact CE1-CG 3.92Å; F22-K73 HydrophobicContact CE2-CG 4.15Å; F22-K73 HydrophobicContact CG-CD 4.34Å; F22-K73 HydrophobicContact CG-CG 3.94Å; F22-K73 HydrophobicContact CZ-CB 4.09Å; F22-K73 HydrophobicContact CZ-CG 4.09Å; E26-K73 VanDerWaalsContact CD-NZ 3.33Å; E26-K73 IonicContact OE1-NZ 2.64Å; E26-K73 PolarHBondContact OE1-NZ 3.32Å; E26-K73 IonicContact OE2-NZ 3.32Å; E26-K73 PolarHBondContact OE2-NZ 2.99Å; Y69-K73 HydrophobicContact CE1-CD 4.03Å; Y69-K73 WeakPolarHBondContact O-CB 3.2Å; Y69-K73 PolarHBondContact O-N 2.74Å; E70-K73 PolarHBondContact O-N 3.23Å; K73-R75 PolarHBondContact O-N 3.03Å; K73-V76 PolarHBondContact O-N 3.34Å; K73-L77 HydrophobicContact CG-CD1 4Å; K73-L77 VanDerWaalsContact O-CG 3.29Å; K73-L77 WeakPolarHBondContact O-CG 3.44Å; K73-L77 PolarHBondContact O-N 2.97Å |
| 74 | R | 90.9 | Very high | 84.7 | Confident | 143 Ų | 143 | 57.6 Ų | 57.6 | 54% | 0.54 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.4 | -49.2 | 177.9 | -169.2 | -177.4 | -55.3 | 114.6 | 6.4 | 111.4 | E70 L72 V76 L77 D78 | E70-R74 VanDerWaalsContact O-CB 3.29Å; E70-R74 WeakPolarHBondContact O-CB 3.48Å; E70-R74 PolarHBondContact O-N 3.01Å; L72-R74 PolarHBondContact O-N 3.16Å; R74-V76 VanDerWaalsContact C-N 3.32Å; R74-V76 PolarHBondContact O-N 2.89Å; R74-L77 PolarHBondContact O-N 2.76Å; R74-L77 VanDerWaalsContact O-N 3.13Å; R74-D78 PolarHBondContact O-N 3.44Å |
| 75 | R | 89.8 | Confident | 83.6 | Confident | 84 Ų | 84 | 57.6 Ų | 57.6 | 32% | 0.317 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.3 | -37.2 | -178.9 | -174 | 58.3 | 164.3 | 70.1 | 8.5 | 113.6 | Q55 I59 A71 L72 K73 R79 | Q55-R75 PolarHBondContact O-NH1 2.97Å; Q55-R75 PolarHBondContact O-NH2 3.23Å; I59-R75 HydrophobicContact CD1-CB 3.38Å; I59-R75 HydrophobicContact CD1-CG 3.64Å; A71-R75 WeakPolarHBondContact O-CB 3.45Å; A71-R75 PolarHBondContact O-N 3.26Å; L72-R75 PolarHBondContact O-N 3.47Å; K73-R75 PolarHBondContact O-N 3.03Å; R75-R79 WeakPolarHBondContact O-CB 3.3Å; R75-R79 PolarHBondContact O-N 3.42Å |
| 76 | V | 89.1 | Confident | 82.9 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.4 | -51.1 | 173.3 | 174.5 | 0 | 0 | 0 | 0 | 109.4 | F13 F22 M48 I52 C56 L72 K73 R74 D78 R79 F80 | F13-V76 HydrophobicContact CE2-CG1 3.86Å; F13-V76 HydrophobicContact CZ-CG1 3.66Å; F22-V76 HydrophobicContact CE2-CB 3.82Å; F22-V76 HydrophobicContact CE2-CG1 3.65Å; F22-V76 HydrophobicContact CE2-CG2 4.49Å; F22-V76 HydrophobicContact CZ-CB 3.99Å; F22-V76 HydrophobicContact CZ-CG1 4.12Å; F22-V76 HydrophobicContact CZ-CG2 4.2Å; M48-V76 HydrophobicContact CE-CG2 3.63Å; I52-V76 HydrophobicContact CG2-CG2 4Å; C56-V76 WeakPolarHBondContact SG-CG2 3.32Å; L72-V76 WeakPolarHBondContact O-CG2 3.41Å; L72-V76 PolarHBondContact O-N 3.22Å; K73-V76 PolarHBondContact O-N 3.34Å; R74-V76 VanDerWaalsContact C-N 3.32Å; R74-V76 PolarHBondContact O-N 2.89Å; V76-D78 PolarHBondContact O-N 3.47Å; V76-R79 PolarHBondContact O-N 3.17Å; V76-F80 HydrophobicContact CG1-CD2 3.76Å; V76-F80 HydrophobicContact CG1-CE2 3.99Å; V76-F80 VanDerWaalsContact O-CD2 3.28Å; V76-F80 WeakPolarHBondContact O-CD2 3.28Å; V76-F80 PolarHBondContact O-N 2.93Å |
| 77 | L | 88 | Confident | 81.9 | Confident | 48 Ų | 48 | 56.6 Ų | 56.6 | 25% | 0.251 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.8 | -47.8 | -178.5 | -68.3 | 174.8 | 0 | 0 | 0 | 112.4 | P18 A19 F22 K73 R74 R79 F80 A81 | P18-L77 HydrophobicContact CB-CD2 4.04Å; P18-L77 HydrophobicContact CG-CD2 4.13Å; A19-L77 HydrophobicContact CB-CD2 3.91Å; F22-L77 HydrophobicContact CD2-CD2 4.04Å; F22-L77 HydrophobicContact CD2-CG 4.3Å; F22-L77 HydrophobicContact CE2-CD2 4.42Å; F22-L77 HydrophobicContact CE2-CG 4.4Å; K73-L77 HydrophobicContact CG-CD1 4Å; K73-L77 VanDerWaalsContact O-CG 3.29Å; K73-L77 WeakPolarHBondContact O-CG 3.44Å; K73-L77 PolarHBondContact O-N 2.97Å; R74-L77 PolarHBondContact O-N 2.76Å; R74-L77 VanDerWaalsContact O-N 3.13Å; L77-R79 VanDerWaalsContact C-N 3.33Å; L77-R79 PolarHBondContact O-N 3.32Å; L77-F80 PolarHBondContact O-N 3.02Å; L77-A81 VanDerWaalsContact O-CB 3.25Å; L77-A81 WeakPolarHBondContact O-CB 3.25Å; L77-A81 PolarHBondContact O-N 3.31Å |
| 78 | D | 85.7 | Confident | 80.6 | Confident | 87 Ų | 87 | 55.4 Ų | 55.4 | 47% | 0.465 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 179.8 | -64.8 | -18.2 | 0 | 0 | 0 | 111.3 | R74 V76 A81 D82 | R74-D78 PolarHBondContact O-N 3.44Å; V76-D78 PolarHBondContact O-N 3.47Å; D78-A81 WeakPolarHBondContact O-CB 3.39Å; D78-A81 PolarHBondContact O-N 3.28Å; D78-D82 PolarHBondContact O-N 2.87Å |
| 79 | R | 83.6 | Confident | 79.2 | Confident | 95 Ų | 95 | 57.1 Ų | 57.1 | 36% | 0.358 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69.3 | -40.4 | -177.2 | -176.4 | 54.9 | 174 | -167.1 | -3.5 | 112.9 | Q55 R75 V76 L77 A81 S83 | Q55-R79 HydrophobicContact CB-CG 4.09Å; Q55-R79 HydrophobicContact CG-CG 3.89Å; R75-R79 WeakPolarHBondContact O-CB 3.3Å; R75-R79 PolarHBondContact O-N 3.42Å; V76-R79 PolarHBondContact O-N 3.17Å; L77-R79 VanDerWaalsContact C-N 3.33Å; L77-R79 PolarHBondContact O-N 3.32Å; R79-A81 VanDerWaalsContact C-N 3.32Å; R79-S83 PolarHBondContact O-N 2.95Å; R79-S83 VanDerWaalsContact O-N 3.11Å |
| 80 | F | 79.3 | Confident | 78 | Confident | 26 Ų | 26 | 61.9 Ų | 61.9 | 11% | 0.114 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -75.4 | -25.7 | 176.6 | -78.6 | -83.9 | 0 | 0 | 0 | 111.6 | F13 T15 P18 I52 V76 L77 S83 N84 | F13-F80 HydrophobicContact CD1-CZ 4.31Å; F13-F80 HydrophobicContact CE1-CD1 4.29Å; F13-F80 HydrophobicContact CE1-CD2 4.08Å; F13-F80 AromaticContact CE1-CE1 3.77Å; F13-F80 HydrophobicContact CE1-CE1 3.77Å; F13-F80 AromaticContact CE1-CE2 3.54Å; F13-F80 HydrophobicContact CE1-CE2 3.54Å; F13-F80 HydrophobicContact CE1-CG 4.45Å; F13-F80 AromaticContact CE1-CZ 3.37Å; F13-F80 HydrophobicContact CE1-CZ 3.37Å; F13-F80 AromaticContact CZ-CD2 3.87Å; F13-F80 HydrophobicContact CZ-CD2 3.87Å; F13-F80 HydrophobicContact CZ-CE1 4.5Å; F13-F80 AromaticContact CZ-CE2 3.6Å; F13-F80 HydrophobicContact CZ-CE2 3.6Å; F13-F80 HydrophobicContact CZ-CG 4.46Å; F13-F80 AromaticContact CZ-CZ 3.96Å; F13-F80 HydrophobicContact CZ-CZ 3.96Å; T15-F80 HydrophobicContact CG2-CE1 4.04Å; P18-F80 HydrophobicContact CB-CB 4.31Å; P18-F80 HydrophobicContact CG-CB 3.72Å; P18-F80 HydrophobicContact CG-CG 4.38Å; I52-F80 HydrophobicContact CG1-CE2 4.29Å; I52-F80 HydrophobicContact CG1-CZ 4.12Å; V76-F80 HydrophobicContact CG1-CD2 3.76Å; V76-F80 HydrophobicContact CG1-CE2 3.99Å; V76-F80 VanDerWaalsContact O-CD2 3.28Å; V76-F80 WeakPolarHBondContact O-CD2 3.28Å; V76-F80 PolarHBondContact O-N 2.93Å; L77-F80 PolarHBondContact O-N 3.02Å; F80-S83 PolarHBondContact O-N 3.4Å; F80-N84 WeakPolarHBondContact O-CB 3.36Å; F80-N84 PolarHBondContact O-N 3.19Å; F80-N84 PolarHBondContact O-ND2 3.23Å |
| 81 | A | 74.3 | Confident | 76.7 | Confident | 23 Ų | 23 | 61.2 Ų | 61.2 | 19% | 0.19 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.4 | -52.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112 | L77 D78 R79 S83 N84 Q85 F116 | L77-A81 VanDerWaalsContact O-CB 3.25Å; L77-A81 WeakPolarHBondContact O-CB 3.25Å; L77-A81 PolarHBondContact O-N 3.31Å; D78-A81 WeakPolarHBondContact O-CB 3.39Å; D78-A81 PolarHBondContact O-N 3.28Å; R79-A81 VanDerWaalsContact C-N 3.32Å; A81-S83 VanDerWaalsContact C-N 3.29Å; A81-S83 PolarHBondContact O-N 2.86Å; A81-N84 PolarHBondContact O-N 3.33Å; A81-Q85 WeakPolarHBondContact O-CB 3.41Å; A81-Q85 PolarHBondContact O-N 2.86Å; A81-F116 HydrophobicContact CB-CE1 3.49Å; A81-F116 VanDerWaalsContact CB-CE1 3.49Å; A81-F116 HydrophobicContact CB-CZ 3.97Å |
| 82 | D | 68.5 | Low | 75.3 | Confident | 78 Ų | 78 | 60.4 Ų | 60.4 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.9 | -41.6 | 176.5 | -69.8 | -21.5 | 0 | 0 | 0 | 112.1 | D78 Q85 K86 | D78-D82 PolarHBondContact O-N 2.87Å; D82-Q85 PolarHBondContact O-N 3.39Å; D82-K86 WeakPolarHBondContact O-CB 3Å; D82-K86 WeakPolarHBondContact O-CG 3.38Å; D82-K86 PolarHBondContact O-N 3.34Å |
| 83 | S | 72 | Confident | 73.8 | Confident | 63 Ų | 63 | 65.3 Ų | 65.3 | 44% | 0.441 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 179.4 | -171.4 | 0 | 0 | 0 | 0 | 111.7 | R79 F80 A81 K86 R87 | R79-S83 PolarHBondContact O-N 2.95Å; R79-S83 VanDerWaalsContact O-N 3.11Å; F80-S83 PolarHBondContact O-N 3.4Å; A81-S83 VanDerWaalsContact C-N 3.29Å; A81-S83 PolarHBondContact O-N 2.86Å; S83-K86 PolarHBondContact O-N 2.83Å; S83-R87 WeakPolarHBondContact O-CB 3.2Å; S83-R87 PolarHBondContact O-N 2.86Å |
| 84 | N | 63.1 | Low | 72.2 | Confident | 15 Ų | 15 | 66.5 Ų | 66.5 | 8% | 0.08 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.3 | -40.2 | 176.2 | -76.9 | -21.4 | 0 | 0 | 0 | 111.3 | F80 A81 R87 F88 F116 | F80-N84 WeakPolarHBondContact O-CB 3.36Å; F80-N84 PolarHBondContact O-N 3.19Å; F80-N84 PolarHBondContact O-ND2 3.23Å; A81-N84 PolarHBondContact O-N 3.33Å; N84-R87 PolarHBondContact O-N 2.84Å; N84-F88 VanDerWaalsContact O-CB 3.25Å; N84-F88 WeakPolarHBondContact O-CB 3.34Å; N84-F88 PolarHBondContact O-N 3.4Å; N84-F116 HydrophobicContact CB-CE2 4.11Å; N84-F116 HydrophobicContact CB-CZ 4.17Å |
| 85 | Q | 62.3 | Low | 70.5 | Confident | 70 Ų | 70 | 62 Ų | 62 | 33% | 0.327 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 173.9 | -179.5 | 171.7 | -12.9 | 0 | 0 | 111.6 | A81 D82 F88 Q89 I122 | A81-Q85 WeakPolarHBondContact O-CB 3.41Å; A81-Q85 PolarHBondContact O-N 2.86Å; D82-Q85 PolarHBondContact O-N 3.39Å; Q85-F88 PolarHBondContact O-N 3.36Å; Q85-Q89 WeakPolarHBondContact O-CB 3.44Å; Q85-Q89 WeakPolarHBondContact O-CG 3.42Å; Q85-Q89 PolarHBondContact O-N 3.28Å; Q85-I122 HydrophobicContact CG-CG2 4.48Å |
| 86 | K | 67.7 | Low | 68.6 | Low | 136 Ų | 136 | 66.2 Ų | 66.2 | 59% | 0.591 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.3 | -44.7 | 174.7 | -75.5 | 179 | -179.1 | -176.6 | 0 | 112 | D82 S83 F88 Q89 T90 | D82-K86 WeakPolarHBondContact O-CB 3Å; D82-K86 WeakPolarHBondContact O-CG 3.38Å; D82-K86 PolarHBondContact O-N 3.34Å; S83-K86 PolarHBondContact O-N 2.83Å; K86-F88 VanDerWaalsContact C-N 3.27Å; K86-F88 PolarHBondContact O-N 3.48Å; K86-Q89 WeakPolarHBondContact O-CB 2.94Å; K86-Q89 PolarHBondContact O-N 3.13Å; K86-T90 PolarHBondContact O-N 3.48Å; K86-T90 PolarHBondContact O-OG1 3.35Å |
| 87 | R | 65.5 | Low | 66.9 | Low | 111 Ų | 111 | 70.7 Ų | 70.7 | 42% | 0.419 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.5 | -44.1 | 176.3 | -167.1 | 173.9 | 89.8 | -169.2 | 8.1 | 110.6 | N16 S83 N84 T90 L91 | N16-R87 PolarHBondContact OD1-NH1 3.02Å; S83-R87 WeakPolarHBondContact O-CB 3.2Å; S83-R87 PolarHBondContact O-N 2.86Å; N84-R87 PolarHBondContact O-N 2.84Å; R87-T90 PolarHBondContact O-N 3.06Å; R87-L91 HydrophobicContact CG-CD1 4.17Å; R87-L91 WeakPolarHBondContact O-CB 3.27Å; R87-L91 WeakPolarHBondContact O-CD1 3.32Å; R87-L91 WeakPolarHBondContact O-CG 3.3Å; R87-L91 PolarHBondContact O-N 3.44Å |
| 88 | F | 61.6 | Low | 64.9 | Low | 8 Ų | 8 | 76.1 Ų | 76.1 | 4% | 0.035 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 176.5 | -174.8 | -109.8 | 0 | 0 | 0 | 112 | N84 Q85 K86 T90 L91 L92 L109 V112 I123 L126 | N84-F88 VanDerWaalsContact O-CB 3.25Å; N84-F88 WeakPolarHBondContact O-CB 3.34Å; N84-F88 PolarHBondContact O-N 3.4Å; Q85-F88 PolarHBondContact O-N 3.36Å; K86-F88 VanDerWaalsContact C-N 3.27Å; K86-F88 PolarHBondContact O-N 3.48Å; F88-T90 PolarHBondContact O-N 3.06Å; F88-L91 PolarHBondContact O-N 2.89Å; F88-L92 HydrophobicContact CD1-CD1 3.83Å; F88-L92 HydrophobicContact CE1-CD1 3.36Å; F88-L92 HydrophobicContact CE1-CG 4.17Å; F88-L92 HydrophobicContact CE2-CD1 4.42Å; F88-L92 HydrophobicContact CE2-CD2 4.48Å; F88-L92 HydrophobicContact CE2-CG 4.39Å; F88-L92 HydrophobicContact CZ-CD1 3.67Å; F88-L92 HydrophobicContact CZ-CD2 4.15Å; F88-L92 HydrophobicContact CZ-CG 4.07Å; F88-L92 VanDerWaalsContact O-CG 3.32Å; F88-L92 WeakPolarHBondContact O-CG 3.49Å; F88-L92 PolarHBondContact O-N 3.37Å; F88-L109 HydrophobicContact CE2-CD2 3.53Å; F88-L109 HydrophobicContact CZ-CD2 3.39Å; F88-V112 HydrophobicContact CD2-CG1 4.39Å; F88-V112 HydrophobicContact CD2-CG2 4.22Å; F88-I123 HydrophobicContact CE1-CB 4.47Å; F88-I123 HydrophobicContact CE1-CG1 3.82Å; F88-I123 HydrophobicContact CZ-CG1 3.87Å; F88-L126 HydrophobicContact CD1-CD1 3.78Å; F88-L126 HydrophobicContact CE1-CB 4.33Å; F88-L126 HydrophobicContact CE1-CD1 3.68Å |
| 89 | Q | 63 | Low | 63.3 | Low | 62 Ų | 62 | 73.8 Ų | 73.8 | 29% | 0.29 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 174 | -71.9 | -78.4 | -4.1 | 0 | 0 | 112.5 | Q85 K86 L91 L92 C93 L126 | Q85-Q89 WeakPolarHBondContact O-CB 3.44Å; Q85-Q89 WeakPolarHBondContact O-CG 3.42Å; Q85-Q89 PolarHBondContact O-N 3.28Å; K86-Q89 WeakPolarHBondContact O-CB 2.94Å; K86-Q89 PolarHBondContact O-N 3.13Å; Q89-L91 VanDerWaalsContact C-N 3.34Å; Q89-L91 PolarHBondContact O-N 3.01Å; Q89-L92 PolarHBondContact O-N 3.08Å; Q89-C93 PolarHBondContact O-N 3.49Å; Q89-C93 PolarHBondContact O-SG 3.06Å; Q89-C93 VanDerWaalsContact O-SG 3.36Å; Q89-L126 HydrophobicContact CG-CD1 4.42Å |
| 90 | T | 65.6 | Low | 61.8 | Low | 101 Ų | 101 | 75.8 Ų | 75.8 | 62% | 0.62 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.8 | -42.2 | 177.8 | -58 | 0 | 0 | 0 | 0 | 111.5 | K86 R87 F88 L92 C93 G94 | K86-T90 PolarHBondContact O-N 3.48Å; K86-T90 PolarHBondContact O-OG1 3.35Å; R87-T90 PolarHBondContact O-N 3.06Å; F88-T90 PolarHBondContact O-N 3.06Å; T90-L92 VanDerWaalsContact C-N 3.3Å; T90-L92 PolarHBondContact O-N 3.38Å; T90-C93 PolarHBondContact O-N 3.28Å; T90-G94 PolarHBondContact O-N 3.25Å |
| 91 | L | 65.3 | Low | 60.7 | Low | 71 Ų | 71 | 77.3 Ų | 77.3 | 37% | 0.372 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 175.9 | -73.5 | 167.1 | 0 | 0 | 0 | 111.6 | R87 F88 Q89 M95 M108 | R87-L91 HydrophobicContact CG-CD1 4.17Å; R87-L91 WeakPolarHBondContact O-CB 3.27Å; R87-L91 WeakPolarHBondContact O-CD1 3.32Å; R87-L91 WeakPolarHBondContact O-CG 3.3Å; R87-L91 PolarHBondContact O-N 3.44Å; F88-L91 PolarHBondContact O-N 2.89Å; Q89-L91 VanDerWaalsContact C-N 3.34Å; Q89-L91 PolarHBondContact O-N 3.01Å; L91-M95 WeakPolarHBondContact O-CG 3.2Å; L91-M108 HydrophobicContact CB-CE 3.84Å; L91-M108 HydrophobicContact CD1-CE 3.72Å; L91-M108 HydrophobicContact CD2-CE 3.85Å; L91-M108 HydrophobicContact CG-CE 4Å |
| 92 | L | 61.9 | Low | 59.7 | Low | 6 Ų | 6 | 77.9 Ų | 77.9 | 3% | 0.031 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -69.9 | -46.6 | 175.7 | -69.2 | 174.4 | 0 | 0 | 0 | 112.8 | F88 Q89 T90 G94 M95 L105 L126 Q130 | F88-L92 HydrophobicContact CD1-CD1 3.83Å; F88-L92 HydrophobicContact CE1-CD1 3.36Å; F88-L92 HydrophobicContact CE1-CG 4.17Å; F88-L92 HydrophobicContact CE2-CD1 4.42Å; F88-L92 HydrophobicContact CE2-CD2 4.48Å; F88-L92 HydrophobicContact CE2-CG 4.39Å; F88-L92 HydrophobicContact CZ-CD1 3.67Å; F88-L92 HydrophobicContact CZ-CD2 4.15Å; F88-L92 HydrophobicContact CZ-CG 4.07Å; F88-L92 VanDerWaalsContact O-CG 3.32Å; F88-L92 WeakPolarHBondContact O-CG 3.49Å; F88-L92 PolarHBondContact O-N 3.37Å; Q89-L92 PolarHBondContact O-N 3.08Å; T90-L92 VanDerWaalsContact C-N 3.3Å; T90-L92 PolarHBondContact O-N 3.38Å; L92-G94 PolarHBondContact O-N 2.96Å; L92-M95 PolarHBondContact O-N 3.01Å; L92-M95 VanDerWaalsContact O-N 3.17Å; L92-L105 HydrophobicContact CD2-CD1 3.55Å; L92-L126 HydrophobicContact CD1-CB 3.58Å; L92-L126 HydrophobicContact CD1-CD1 3.91Å; L92-L126 HydrophobicContact CD1-CD2 4.44Å; L92-L126 HydrophobicContact CD1-CG 4.18Å; L92-Q130 HydrophobicContact CD2-CG 4.32Å |
| 93 | C | 61 | Low | 59 | Low | 105 Ų | 105 | 82 Ų | 82 | 71% | 0.709 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.1 | -27.9 | 179.8 | -68.8 | 0 | 0 | 0 | 0 | 113 | Q89 T90 M95 | Q89-C93 PolarHBondContact O-N 3.49Å; Q89-C93 PolarHBondContact O-SG 3.06Å; Q89-C93 VanDerWaalsContact O-SG 3.36Å; T90-C93 PolarHBondContact O-N 3.28Å; C93-M95 VanDerWaalsContact C-N 3.32Å |
| 94 | G | 58.4 | Low | 58.2 | Low | 64 Ų | 64 | 83 Ų | 83 | 66% | 0.66 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -11.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T90 L92 Q96 | T90-G94 PolarHBondContact O-N 3.25Å; L92-G94 PolarHBondContact O-N 2.96Å; G94-Q96 PolarHBondContact O-N 3.3Å |
| 95 | M | 54.7 | Low | 57.9 | Low | 49 Ų | 49 | 82.9 Ų | 82.9 | 24% | 0.241 | 44% | 0.435 | C | S | . | . | trans | -86 | 90.4 | 179.8 | -78.1 | -175.6 | 167.3 | 0 | 0 | 111.1 | L91 L92 C93 I97 V104 M108 | L91-M95 WeakPolarHBondContact O-CG 3.2Å; L92-M95 PolarHBondContact O-N 3.01Å; L92-M95 VanDerWaalsContact O-N 3.17Å; C93-M95 VanDerWaalsContact C-N 3.32Å; M95-I97 WeakPolarHBondContact O-CG1 3.41Å; M95-I97 PolarHBondContact O-N 3.44Å; M95-I97 VanDerWaalsContact O-N 3.15Å; M95-V104 HydrophobicContact CE-CG1 3.95Å; M95-M108 HydrophobicContact CE-CE 3.98Å; M95-M108 HydrophobicContact CE-SD 3.25Å; M95-M108 WeakPolarHBondContact CE-SD 3.36Å | ||
| 96 | Q | 50.7 | Low | 57.7 | Low | 172 Ų | 172 | 82.2 Ų | 82.2 | 80% | 0.804 | 43% | 0.432 | S | S | * | . | trans | -61.1 | 114.5 | 166.1 | -80.8 | -176.6 | -6.8 | 0 | 0 | 109.9 | G94 E98 K101 | G94-Q96 PolarHBondContact O-N 3.3Å; Q96-E98 VanDerWaalsContact C-N 3.3Å; Q96-E98 PolarHBondContact O-N 2.85Å; Q96-K101 WeakPolarHBondContact O-CE 3.28Å; Q96-K101 PolarHBondContact O-NZ 3.44Å | ||
| 97 | I | 53 | Low | 57.4 | Low | 95 Ų | 95 | 77.6 Ų | 77.6 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | trans | -77.2 | 63.3 | -164.5 | -44.4 | 176.9 | 0 | 0 | 0 | 114.1 | M95 K101 Q130 | M95-I97 WeakPolarHBondContact O-CG1 3.41Å; M95-I97 PolarHBondContact O-N 3.44Å; M95-I97 VanDerWaalsContact O-N 3.15Å; I97-K101 VanDerWaalsContact CA-CD 3.45Å; I97-K101 HydrophobicContact CB-CD 3.93Å; I97-K101 HydrophobicContact CG1-CD 4.25Å; I97-K101 HydrophobicContact CG2-CB 4.35Å; I97-K101 HydrophobicContact CG2-CD 3.64Å; I97-Q130 HydrophobicContact CD1-CB 4.28Å; I97-Q130 WeakPolarHBondContact CD1-O 3.13Å | ||
| 98 | E | 45.3 | Very low | 56.9 | Low | 162 Ų | 162 | 74.1 Ų | 74.1 | 76% | 0.757 | 41% | 0.412 | S | S | * | . | trans | -92.2 | 129.8 | 163.8 | -72.8 | -172.7 | 158 | 0 | 0 | 112.3 | Q96 D100 K101 | Q96-E98 VanDerWaalsContact C-N 3.3Å; Q96-E98 PolarHBondContact O-N 2.85Å; E98-D100 PolarHBondContact O-N 2.95Å; E98-D100 VanDerWaalsContact O-N 3.07Å; E98-K101 PolarHBondContact O-NZ 3.41Å | ||
| 99 | G | 52 | Low | 56.7 | Low | 37 Ų | 37 | 75.2 Ų | 75.2 | 38% | 0.381 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 83.9 | -73.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | Y158 | G99-Y158 WeakPolarHBondContact O-CE2 3.32Š|
| 100 | D | 51.9 | Low | 56.5 | Low | 137 Ų | 137 | 82.3 Ų | 82.3 | 73% | 0.733 | 44% | 0.442 | S | S | * | . | trans | -123.8 | 26.4 | -149.9 | -74.4 | -32.4 | 0 | 0 | 0 | 115.8 | E98 P102 | E98-D100 PolarHBondContact O-N 2.95Å; E98-D100 VanDerWaalsContact O-N 3.07Å; D100-P102 VanDerWaalsContact C-CD 3.47Å | ||
| 101 | K | 56.7 | Low | 56.1 | Low | 58 Ų | 58 | 85 Ų | 85 | 25% | 0.252 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 13.6 | -156.7 | -78.7 | 176.7 | 175.2 | 82.5 | 0 | 121.7 | Q96 I97 E98 L105 | Q96-K101 WeakPolarHBondContact O-CE 3.28Å; Q96-K101 PolarHBondContact O-NZ 3.44Å; I97-K101 VanDerWaalsContact CA-CD 3.45Å; I97-K101 HydrophobicContact CB-CD 3.93Å; I97-K101 HydrophobicContact CG1-CD 4.25Å; I97-K101 HydrophobicContact CG2-CB 4.35Å; I97-K101 HydrophobicContact CG2-CD 3.64Å; E98-K101 PolarHBondContact O-NZ 3.41Å; K101-L105 WeakPolarHBondContact O-CB 3.38Å |
| 102 | P | 54.5 | Low | 55.7 | Low | 36 Ų | 36 | 82.6 Ų | 82.6 | 23% | 0.234 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -42 | 168.7 | -21.9 | 36.6 | 0 | 0 | 0 | 114.7 | D100 Q106 P154 | D100-P102 VanDerWaalsContact C-CD 3.47Å; P102-Q106 WeakPolarHBondContact O-CG 3.16Å; P102-Q106 PolarHBondContact O-N 2.87Å; P102-P154 HydrophobicContact CB-CB 3.19Å; P102-P154 HydrophobicContact CG-CB 4.32Å; P102-P154 WeakPolarHBondContact CG-O 3.4Å |
| 103 | R | 53.8 | Low | 55.3 | Low | 163 Ų | 163 | 84.7 Ų | 84.7 | 62% | 0.615 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -75.2 | -41.5 | -171.9 | -73.8 | -178.1 | 175.7 | -144.6 | -1.9 | 113.9 | L105 Q106 G107 D155 | R103-L105 VanDerWaalsContact C-N 3.28Å; R103-L105 PolarHBondContact O-N 3.23Å; R103-Q106 PolarHBondContact O-N 3.44Å; R103-G107 PolarHBondContact O-N 3.25Å; R103-D155 IonicContact CZ-OD1 2.91Å; R103-D155 IonicContact CZ-OD2 3.68Å; R103-D155 IonicContact NE-OD1 3.33Å; R103-D155 PolarHBondContact NE-OD1 3.39Å; R103-D155 IonicContact NE-OD2 2.73Å; R103-D155 IonicContact NH2-OD1 2.92Å; R103-D155 PolarHBondContact NH2-OD1 2.97Å; R103-D155 IonicContact NH2-OD2 3.55Å; R103-D155 PolarHBondContact NH2-OD2 3.28Å |
| 104 | V | 53.7 | Low | 55 | Low | 84 Ų | 84 | 83.8 Ų | 83.8 | 51% | 0.509 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 175.5 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | M95 Q106 G107 M108 | M95-V104 HydrophobicContact CE-CG1 3.95Å; V104-Q106 PolarHBondContact O-N 3.35Å; V104-G107 PolarHBondContact O-N 3.32Å; V104-M108 HydrophobicContact CG1-SD 3.99Å; V104-M108 VanDerWaalsContact O-CG 3.3Å; V104-M108 WeakPolarHBondContact O-CG 3.16Å; V104-M108 PolarHBondContact O-N 2.64Å |
| 105 | L | 57.6 | Low | 54.8 | Low | 14 Ų | 14 | 82 Ų | 82 | 7% | 0.073 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 176.2 | -172.7 | 50 | 0 | 0 | 0 | 110.4 | L92 K101 R103 G107 M108 L109 W127 | L92-L105 HydrophobicContact CD2-CD1 3.55Å; K101-L105 WeakPolarHBondContact O-CB 3.38Å; R103-L105 VanDerWaalsContact C-N 3.28Å; R103-L105 PolarHBondContact O-N 3.23Å; L105-G107 PolarHBondContact O-N 3.09Å; L105-M108 PolarHBondContact O-N 3.29Å; L105-L109 HydrophobicContact CD1-CG 4.49Å; L105-L109 WeakPolarHBondContact O-CB 3.35Å; L105-L109 WeakPolarHBondContact O-CG 3.25Å; L105-L109 PolarHBondContact O-N 3Å; L105-W127 HydrophobicContact CD2-CG 4.28Å; L105-W127 VanDerWaalsContact CD2-NE1 3.34Å |
| 106 | Q | 57.7 | Low | 54.5 | Low | 56 Ų | 56 | 81.6 Ų | 81.6 | 26% | 0.262 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 174 | -76.4 | -171.3 | -3.4 | 0 | 0 | 114.4 | P102 R103 V104 M108 L109 R110 A151 | P102-Q106 WeakPolarHBondContact O-CG 3.16Å; P102-Q106 PolarHBondContact O-N 2.87Å; R103-Q106 PolarHBondContact O-N 3.44Å; V104-Q106 PolarHBondContact O-N 3.35Å; Q106-M108 VanDerWaalsContact C-N 3.31Å; Q106-M108 PolarHBondContact O-N 3.11Å; Q106-L109 PolarHBondContact O-N 2.87Å; Q106-R110 WeakPolarHBondContact O-CB 3.46Å; Q106-R110 PolarHBondContact O-N 3.44Å; Q106-A151 PolarHBondContact NE2-O 3.1Å |
| 107 | G | 60.9 | Low | 54.6 | Low | 39 Ų | 39 | 80.8 Ų | 80.8 | 40% | 0.402 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R103 V104 L105 R110 E111 | R103-G107 PolarHBondContact O-N 3.25Å; V104-G107 PolarHBondContact O-N 3.32Å; L105-G107 PolarHBondContact O-N 3.09Å; G107-R110 WeakPolarHBondContact O-CB 3.44Å; G107-R110 PolarHBondContact O-N 2.95Å; G107-E111 PolarHBondContact O-N 3.32Å |
| 108 | M | 56.7 | Low | 54.6 | Low | 38 Ų | 38 | 82.8 Ų | 82.8 | 19% | 0.187 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -69.3 | -37.2 | 178.2 | -65.9 | 174.2 | 76.9 | 0 | 0 | 112.5 | L91 M95 V104 L105 Q106 R110 E111 V112 | L91-M108 HydrophobicContact CB-CE 3.84Å; L91-M108 HydrophobicContact CD1-CE 3.72Å; L91-M108 HydrophobicContact CD2-CE 3.85Å; L91-M108 HydrophobicContact CG-CE 4Å; M95-M108 HydrophobicContact CE-CE 3.98Å; M95-M108 HydrophobicContact CE-SD 3.25Å; M95-M108 WeakPolarHBondContact CE-SD 3.36Å; V104-M108 HydrophobicContact CG1-SD 3.99Å; V104-M108 VanDerWaalsContact O-CG 3.3Å; V104-M108 WeakPolarHBondContact O-CG 3.16Å; V104-M108 PolarHBondContact O-N 2.64Å; L105-M108 PolarHBondContact O-N 3.29Å; Q106-M108 VanDerWaalsContact C-N 3.31Å; Q106-M108 PolarHBondContact O-N 3.11Å; M108-R110 VanDerWaalsContact C-N 3.27Å; M108-R110 PolarHBondContact O-N 3.35Å; M108-E111 PolarHBondContact O-N 3.03Å; M108-V112 VanDerWaalsContact O-CG2 3.3Å; M108-V112 WeakPolarHBondContact O-CG2 3.49Å; M108-V112 PolarHBondContact O-N 3.09Å |
| 109 | L | 56 | Low | 54.9 | Low | 30 Ų | 30 | 75.8 Ų | 75.8 | 16% | 0.157 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 171.7 | -69.3 | -176.6 | 0 | 0 | 0 | 110.6 | F88 L105 Q106 E111 V112 S113 I123 | F88-L109 HydrophobicContact CE2-CD2 3.53Å; F88-L109 HydrophobicContact CZ-CD2 3.39Å; L105-L109 HydrophobicContact CD1-CG 4.49Å; L105-L109 WeakPolarHBondContact O-CB 3.35Å; L105-L109 WeakPolarHBondContact O-CG 3.25Å; L105-L109 PolarHBondContact O-N 3Å; Q106-L109 PolarHBondContact O-N 2.87Å; L109-E111 VanDerWaalsContact C-N 3.33Å; L109-E111 PolarHBondContact O-N 3.44Å; L109-V112 PolarHBondContact O-N 2.87Å; L109-S113 WeakPolarHBondContact O-CA 3.34Å; L109-S113 WeakPolarHBondContact O-CB 3.25Å; L109-S113 PolarHBondContact O-N 3.43Å; L109-I123 HydrophobicContact CD1-CG2 3.76Å; L109-I123 HydrophobicContact CD2-CB 4.11Å; L109-I123 HydrophobicContact CD2-CD1 3.8Å; L109-I123 HydrophobicContact CD2-CG1 3.7Å; L109-I123 HydrophobicContact CD2-CG2 3.3Å; L109-I123 HydrophobicContact CG-CG2 4.12Å |
| 110 | R | 59.1 | Low | 55 | Low | 212 Ų | 212 | 77 Ų | 77 | 80% | 0.8 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -66.6 | -33.5 | 177.2 | -167.1 | 179.5 | -125.9 | -143.2 | 0.8 | 112.7 | Q106 G107 M108 P114 | Q106-R110 WeakPolarHBondContact O-CB 3.46Å; Q106-R110 PolarHBondContact O-N 3.44Å; G107-R110 WeakPolarHBondContact O-CB 3.44Å; G107-R110 PolarHBondContact O-N 2.95Å; M108-R110 VanDerWaalsContact C-N 3.27Å; M108-R110 PolarHBondContact O-N 3.35Å; R110-P114 VanDerWaalsContact O-CD 3.27Å; R110-P114 WeakPolarHBondContact O-CD 3.45Å |
| 111 | E | 58.3 | Low | 55.3 | Low | 158 Ų | 158 | 73.3 Ų | 73.3 | 74% | 0.738 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -72.2 | -31.2 | 174.5 | -71.4 | -171.9 | 165.9 | 0 | 0 | 112.9 | G107 M108 L109 | G107-E111 PolarHBondContact O-N 3.32Å; M108-E111 PolarHBondContact O-N 3.03Å; L109-E111 VanDerWaalsContact C-N 3.33Å; L109-E111 PolarHBondContact O-N 3.44Å |
| 112 | V | 56 | Low | 55.2 | Low | 20 Ų | 20 | 73 Ų | 73 | 12% | 0.121 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -90.7 | -27.1 | -178.3 | 178.4 | 0 | 0 | 0 | 0 | 112.7 | F88 M108 L109 P114 | F88-V112 HydrophobicContact CD2-CG1 4.39Å; F88-V112 HydrophobicContact CD2-CG2 4.22Å; M108-V112 VanDerWaalsContact O-CG2 3.3Å; M108-V112 WeakPolarHBondContact O-CG2 3.49Å; M108-V112 PolarHBondContact O-N 3.09Å; L109-V112 PolarHBondContact O-N 2.87Å; V112-P114 VanDerWaalsContact C-CD 3.4Å |
| 113 | S | 54.1 | Low | 55.4 | Low | 50 Ų | 50 | 71.9 Ų | 71.9 | 35% | 0.35 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -68.8 | -28.1 | -173.1 | 174.9 | 0 | 0 | 0 | 0 | 117.7 | L109 N115 | L109-S113 WeakPolarHBondContact O-CA 3.34Å; L109-S113 WeakPolarHBondContact O-CB 3.25Å; L109-S113 PolarHBondContact O-N 3.43Å; S113-N115 PolarHBondContact O-N 3.45Å |
| 114 | P | 54.6 | Low | 55.7 | Low | 86 Ų | 86 | 66.5 Ų | 66.5 | 56% | 0.558 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -68 | -5.1 | -169.8 | 23.6 | -32.2 | 0 | 0 | 0 | 114.9 | R110 V112 | R110-P114 VanDerWaalsContact O-CD 3.27Å; R110-P114 WeakPolarHBondContact O-CD 3.45Å; V112-P114 VanDerWaalsContact C-CD 3.4Å |
| 115 | N | 52.9 | Low | 56.1 | Low | 27 Ų | 27 | 71.3 Ų | 71.3 | 14% | 0.144 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -118.2 | 7.5 | -170.4 | -66.1 | -40.2 | 0 | 0 | 0 | 115.5 | N16 S17 S113 | N16-N115 PolarHBondContact O-ND2 3.36Å; S17-N115 WeakPolarHBondContact CA-ND2 3.28Å; S17-N115 WeakPolarHBondContact CB-ND2 3.45Å; S17-N115 PolarHBondContact OG-ND2 2.94Å; S113-N115 PolarHBondContact O-N 3.45Å |
| 116 | F | 49.3 | Very low | 56.3 | Low | 40 Ų | 40 | 71.1 Ų | 71.1 | 18% | 0.175 | 37% | 0.366 | C | S | . | . | trans | -148.1 | 115 | -171.7 | -69.3 | -77.9 | 0 | 0 | 0 | 114.4 | A81 N84 N118 V119 | A81-F116 HydrophobicContact CB-CE1 3.49Å; A81-F116 VanDerWaalsContact CB-CE1 3.49Å; A81-F116 HydrophobicContact CB-CZ 3.97Å; N84-F116 HydrophobicContact CB-CE2 4.11Å; N84-F116 HydrophobicContact CB-CZ 4.17Å; F116-N118 VanDerWaalsContact C-N 3.34Å; F116-V119 HydrophobicContact CB-CB 3.31Å; F116-V119 HydrophobicContact CB-CG1 4.41Å; F116-V119 HydrophobicContact CB-CG2 3.28Å; F116-V119 HydrophobicContact CD1-CB 4.37Å; F116-V119 HydrophobicContact CD1-CG2 3.36Å; F116-V119 HydrophobicContact CD2-CB 4.15Å; F116-V119 HydrophobicContact CD2-CG2 3.67Å; F116-V119 HydrophobicContact CE1-CG2 4.1Å; F116-V119 HydrophobicContact CE2-CG2 4.34Å; F116-V119 HydrophobicContact CG-CB 3.72Å; F116-V119 HydrophobicContact CG-CG2 3.14Å | ||
| 117 | D | 52 | Low | 56.5 | Low | 154 Ų | 154 | 69.5 Ų | 69.5 | 82% | 0.824 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -71.2 | -30.9 | 169.4 | -61.9 | -43.8 | 0 | 0 | 0 | 111.7 | ||
| 118 | N | 53.3 | Low | 56.7 | Low | 137 Ų | 137 | 69.2 Ų | 69.2 | 73% | 0.733 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -92 | -15.5 | -178.1 | -73.3 | -11.3 | 0 | 0 | 0 | 115 | F116 N120 A121 | F116-N118 VanDerWaalsContact C-N 3.34Å; N118-N120 PolarHBondContact O-N 3.22Å; N118-A121 PolarHBondContact O-N 2.98Å |
| 119 | V | 52.1 | Low | 57.1 | Low | 16 Ų | 16 | 73.4 Ų | 73.4 | 10% | 0.097 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -76.2 | -16.3 | -178.4 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | F116 A121 I122 I123 | F116-V119 HydrophobicContact CB-CB 3.31Å; F116-V119 HydrophobicContact CB-CG1 4.41Å; F116-V119 HydrophobicContact CB-CG2 3.28Å; F116-V119 HydrophobicContact CD1-CB 4.37Å; F116-V119 HydrophobicContact CD1-CG2 3.36Å; F116-V119 HydrophobicContact CD2-CB 4.15Å; F116-V119 HydrophobicContact CD2-CG2 3.67Å; F116-V119 HydrophobicContact CE1-CG2 4.1Å; F116-V119 HydrophobicContact CE2-CG2 4.34Å; F116-V119 HydrophobicContact CG-CB 3.72Å; F116-V119 HydrophobicContact CG-CG2 3.14Å; V119-A121 VanDerWaalsContact C-N 3.27Å; V119-A121 PolarHBondContact O-N 3.42Å; V119-I122 PolarHBondContact O-N 3Å; V119-I123 HydrophobicContact CB-CD1 4.45Å; V119-I123 HydrophobicContact CG1-CD1 3.45Å; V119-I123 VanDerWaalsContact CG1-CD1 3.45Å; V119-I123 HydrophobicContact CG1-CG1 3.55Å; V119-I123 WeakPolarHBondContact O-CB 3.4Å; V119-I123 VanDerWaalsContact O-CG1 3.28Å; V119-I123 WeakPolarHBondContact O-CG1 3.24Å; V119-I123 PolarHBondContact O-N 3.4Å |
| 120 | N | 53.7 | Low | 57.5 | Low | 62 Ų | 62 | 74.5 Ų | 74.5 | 33% | 0.332 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -53.9 | -43.6 | 168.4 | -76.7 | -24.8 | 0 | 0 | 0 | 111.9 | N118 H124 | N118-N120 PolarHBondContact O-N 3.22Å; N120-H124 WeakPolarHBondContact O-CB 3.35Å; N120-H124 PolarHBondContact O-N 3.37Å |
| 121 | A | 58 | Low | 57.7 | Low | 60 Ų | 60 | 65.5 Ų | 65.5 | 50% | 0.496 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.5 | -37.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | N118 V119 H124 R125 | N118-A121 PolarHBondContact O-N 2.98Å; V119-A121 VanDerWaalsContact C-N 3.27Å; V119-A121 PolarHBondContact O-N 3.42Å; A121-H124 PolarHBondContact O-N 2.82Å; A121-R125 WeakPolarHBondContact O-CG 3.44Å; A121-R125 PolarHBondContact O-N 3.42Å |
| 122 | I | 56 | Low | 58.2 | Low | 51 Ų | 51 | 61.2 Ų | 61.2 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -74.5 | -46.8 | -179.3 | -61.9 | 174.5 | 0 | 0 | 0 | 110.5 | Q85 V119 H124 R125 L126 | Q85-I122 HydrophobicContact CG-CG2 4.48Å; V119-I122 PolarHBondContact O-N 3Å; I122-H124 VanDerWaalsContact C-N 3.25Å; I122-H124 PolarHBondContact O-N 3.09Å; I122-R125 PolarHBondContact O-N 3.06Å; I122-L126 HydrophobicContact CG2-CD1 3.68Å; I122-L126 HydrophobicContact CG2-CG 4.47Å; I122-L126 WeakPolarHBondContact O-CB 3.45Å; I122-L126 WeakPolarHBondContact O-CD1 3.35Å; I122-L126 WeakPolarHBondContact O-CG 3.39Å; I122-L126 PolarHBondContact O-N 3.3Å |
| 123 | I | 56.9 | Low | 58.7 | Low | 13 Ų | 13 | 65.3 Ų | 65.3 | 7% | 0.067 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -52 | -49.2 | 168.9 | -78.1 | 166.6 | 0 | 0 | 0 | 109.4 | F88 L109 V119 R125 L126 W127 | F88-I123 HydrophobicContact CE1-CB 4.47Å; F88-I123 HydrophobicContact CE1-CG1 3.82Å; F88-I123 HydrophobicContact CZ-CG1 3.87Å; L109-I123 HydrophobicContact CD1-CG2 3.76Å; L109-I123 HydrophobicContact CD2-CB 4.11Å; L109-I123 HydrophobicContact CD2-CD1 3.8Å; L109-I123 HydrophobicContact CD2-CG1 3.7Å; L109-I123 HydrophobicContact CD2-CG2 3.3Å; L109-I123 HydrophobicContact CG-CG2 4.12Å; V119-I123 HydrophobicContact CB-CD1 4.45Å; V119-I123 HydrophobicContact CG1-CD1 3.45Å; V119-I123 VanDerWaalsContact CG1-CD1 3.45Å; V119-I123 HydrophobicContact CG1-CG1 3.55Å; V119-I123 WeakPolarHBondContact O-CB 3.4Å; V119-I123 VanDerWaalsContact O-CG1 3.28Å; V119-I123 WeakPolarHBondContact O-CG1 3.24Å; V119-I123 PolarHBondContact O-N 3.4Å; I123-R125 PolarHBondContact O-N 3.41Å; I123-L126 PolarHBondContact O-N 3.23Å; I123-W127 WeakPolarHBondContact O-CB 3.39Å; I123-W127 PolarHBondContact O-N 3.12Å |
| 124 | H | 61 | Low | 59 | Low | 49 Ų | 49 | 66.2 Ų | 66.2 | 23% | 0.227 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61 | -48.6 | -176.9 | -177.9 | -110.3 | 0 | 0 | 0 | 111.2 | N120 A121 I122 L126 W127 I128 L150 | N120-H124 WeakPolarHBondContact O-CB 3.35Å; N120-H124 PolarHBondContact O-N 3.37Å; A121-H124 PolarHBondContact O-N 2.82Å; I122-H124 VanDerWaalsContact C-N 3.25Å; I122-H124 PolarHBondContact O-N 3.09Å; H124-L126 VanDerWaalsContact C-N 3.31Å; H124-L126 PolarHBondContact O-N 2.96Å; H124-W127 PolarHBondContact O-N 2.93Å; H124-I128 WeakPolarHBondContact CE1-CD1 3.36Å; H124-I128 WeakPolarHBondContact O-CB 3.29Å; H124-I128 VanDerWaalsContact O-CG1 3.25Å; H124-I128 WeakPolarHBondContact O-CG1 3.41Å; H124-I128 PolarHBondContact O-N 3.48Å; H124-L150 VanDerWaalsContact CD2-CD1 3.47Å; H124-L150 WeakPolarHBondContact CD2-CD1 3.4Å; H124-L150 VanDerWaalsContact NE2-CD1 3.29Å; H124-L150 WeakPolarHBondContact NE2-CD1 3.38Å |
| 125 | R | 62.6 | Low | 59.4 | Low | 186 Ų | 186 | 63.1 Ų | 63.1 | 70% | 0.702 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -58.1 | -43.8 | 175.3 | -77.6 | -177.4 | 178.6 | -167.1 | 0.4 | 112.1 | A121 I122 I123 Q129 | A121-R125 WeakPolarHBondContact O-CG 3.44Å; A121-R125 PolarHBondContact O-N 3.42Å; I122-R125 PolarHBondContact O-N 3.06Å; I123-R125 PolarHBondContact O-N 3.41Å; R125-Q129 WeakPolarHBondContact O-CG 3.29Å; R125-Q129 PolarHBondContact O-N 2.83Å |
| 126 | L | 61.6 | Low | 60 | Low | 9 Ų | 9 | 64.4 Ų | 64.4 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -72.7 | -39 | -177.7 | -68.7 | 164.3 | 0 | 0 | 0 | 112.6 | F88 Q89 L92 I122 I123 H124 I128 Q129 Q130 | F88-L126 HydrophobicContact CD1-CD1 3.78Å; F88-L126 HydrophobicContact CE1-CB 4.33Å; F88-L126 HydrophobicContact CE1-CD1 3.68Å; Q89-L126 HydrophobicContact CG-CD1 4.42Å; L92-L126 HydrophobicContact CD1-CB 3.58Å; L92-L126 HydrophobicContact CD1-CD1 3.91Å; L92-L126 HydrophobicContact CD1-CD2 4.44Å; L92-L126 HydrophobicContact CD1-CG 4.18Å; I122-L126 HydrophobicContact CG2-CD1 3.68Å; I122-L126 HydrophobicContact CG2-CG 4.47Å; I122-L126 WeakPolarHBondContact O-CB 3.45Å; I122-L126 WeakPolarHBondContact O-CD1 3.35Å; I122-L126 WeakPolarHBondContact O-CG 3.39Å; I122-L126 PolarHBondContact O-N 3.3Å; I123-L126 PolarHBondContact O-N 3.23Å; H124-L126 VanDerWaalsContact C-N 3.31Å; H124-L126 PolarHBondContact O-N 2.96Å; L126-I128 VanDerWaalsContact C-N 3.35Å; L126-Q129 WeakPolarHBondContact O-CB 3.47Å; L126-Q129 PolarHBondContact O-N 3.45Å; L126-Q129 VanDerWaalsContact O-N 3.16Å; L126-Q130 VanDerWaalsContact O-CG 3.28Å; L126-Q130 WeakPolarHBondContact O-CG 3.44Å; L126-Q130 PolarHBondContact O-N 3.04Å |
| 127 | W | 62.3 | Low | 60.6 | Low | 22 Ų | 22 | 66.6 Ų | 66.6 | 8% | 0.083 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 175.2 | -170.5 | 88.3 | 0 | 0 | 0 | 110.8 | L105 I123 H124 Q129 Q130 L131 L139 L150 | L105-W127 HydrophobicContact CD2-CG 4.28Å; L105-W127 VanDerWaalsContact CD2-NE1 3.34Å; I123-W127 WeakPolarHBondContact O-CB 3.39Å; I123-W127 PolarHBondContact O-N 3.12Å; H124-W127 PolarHBondContact O-N 2.93Å; W127-Q129 VanDerWaalsContact C-N 3.32Å; W127-Q129 PolarHBondContact O-N 3.01Å; W127-Q130 PolarHBondContact O-N 3.17Å; W127-Q130 VanDerWaalsContact O-N 3.11Å; W127-L131 HydrophobicContact CD2-CD1 4.43Å; W127-L131 HydrophobicContact CE3-CD1 3.64Å; W127-L131 HydrophobicContact CE3-CG 4.23Å; W127-L131 HydrophobicContact CH2-CD1 3.71Å; W127-L131 HydrophobicContact CH2-CD2 4Å; W127-L131 HydrophobicContact CH2-CG 4.25Å; W127-L131 HydrophobicContact CZ2-CD1 4.48Å; W127-L131 HydrophobicContact CZ2-CD2 4.15Å; W127-L131 HydrophobicContact CZ3-CD1 3.21Å; W127-L131 HydrophobicContact CZ3-CD2 4.32Å; W127-L131 HydrophobicContact CZ3-CG 4.06Å; W127-L131 PolarHBondContact O-N 3.28Å; W127-L139 HydrophobicContact CZ3-CD1 4.18Å; W127-L150 HydrophobicContact CE3-CD1 4.24Å; W127-L150 HydrophobicContact CE3-CD2 4.37Å; W127-L150 HydrophobicContact CH2-CB 4.48Å; W127-L150 HydrophobicContact CH2-CD2 3.74Å; W127-L150 HydrophobicContact CZ3-CB 4.28Å; W127-L150 HydrophobicContact CZ3-CD1 3.99Å; W127-L150 HydrophobicContact CZ3-CD2 3.35Å; W127-L150 HydrophobicContact CZ3-CG 4.04Å |
| 128 | I | 64.6 | Low | 61 | Low | 34 Ų | 34 | 59.8 Ų | 59.8 | 17% | 0.174 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.5 | -46.6 | 171.1 | -70 | 170 | 0 | 0 | 0 | 110.2 | H124 L126 Q130 L131 Q136 L139 | H124-I128 WeakPolarHBondContact CE1-CD1 3.36Å; H124-I128 WeakPolarHBondContact O-CB 3.29Å; H124-I128 VanDerWaalsContact O-CG1 3.25Å; H124-I128 WeakPolarHBondContact O-CG1 3.41Å; H124-I128 PolarHBondContact O-N 3.48Å; L126-I128 VanDerWaalsContact C-N 3.35Å; I128-Q130 PolarHBondContact O-N 3.47Å; I128-Q130 VanDerWaalsContact O-N 3.17Å; I128-L131 WeakPolarHBondContact O-CB 3.36Å; I128-L131 PolarHBondContact O-N 3.33Å; I128-Q136 HydrophobicContact CG2-CB 4.26Å; I128-Q136 HydrophobicContact CG2-CG 4.06Å; I128-Q136 WeakPolarHBondContact O-CG 3.33Å; I128-Q136 PolarHBondContact O-NE2 3.25Å; I128-Q136 VanDerWaalsContact O-NE2 3.11Å; I128-L139 HydrophobicContact CG1-CD1 4.13Å |
| 129 | Q | 65.6 | Low | 61.3 | Low | 126 Ų | 126 | 54 Ų | 54 | 59% | 0.589 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.2 | -24.2 | 178.1 | -75.9 | 179.8 | -20.7 | 0 | 0 | 114.2 | R125 L126 W127 Q136 | R125-Q129 WeakPolarHBondContact O-CG 3.29Å; R125-Q129 PolarHBondContact O-N 2.83Å; L126-Q129 WeakPolarHBondContact O-CB 3.47Å; L126-Q129 PolarHBondContact O-N 3.45Å; L126-Q129 VanDerWaalsContact O-N 3.16Å; W127-Q129 VanDerWaalsContact C-N 3.32Å; W127-Q129 PolarHBondContact O-N 3.01Å; Q129-Q136 PolarHBondContact O-NE2 3.02Å |
| 130 | Q | 63 | Low | 61.7 | Low | 52 Ų | 52 | 57.3 Ų | 57.3 | 24% | 0.243 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -85.8 | -9.8 | 176.9 | -63.8 | -67.5 | -41.3 | 0 | 0 | 113.4 | L92 I97 L126 W127 I128 | L92-Q130 HydrophobicContact CD2-CG 4.32Å; I97-Q130 HydrophobicContact CD1-CB 4.28Å; I97-Q130 WeakPolarHBondContact CD1-O 3.13Å; L126-Q130 VanDerWaalsContact O-CG 3.28Å; L126-Q130 WeakPolarHBondContact O-CG 3.44Å; L126-Q130 PolarHBondContact O-N 3.04Å; W127-Q130 PolarHBondContact O-N 3.17Å; W127-Q130 VanDerWaalsContact O-N 3.11Å; I128-Q130 PolarHBondContact O-N 3.47Å; I128-Q130 VanDerWaalsContact O-N 3.17Å |
| 131 | L | 64.9 | Low | 61.8 | Low | 23 Ų | 23 | 63.9 Ų | 63.9 | 12% | 0.12 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -81.3 | 151 | 177.8 | -71.8 | 170.5 | 0 | 0 | 0 | 111.7 | W127 I128 V135 Q136 L139 | W127-L131 HydrophobicContact CD2-CD1 4.43Å; W127-L131 HydrophobicContact CE3-CD1 3.64Å; W127-L131 HydrophobicContact CE3-CG 4.23Å; W127-L131 HydrophobicContact CH2-CD1 3.71Å; W127-L131 HydrophobicContact CH2-CD2 4Å; W127-L131 HydrophobicContact CH2-CG 4.25Å; W127-L131 HydrophobicContact CZ2-CD1 4.48Å; W127-L131 HydrophobicContact CZ2-CD2 4.15Å; W127-L131 HydrophobicContact CZ3-CD1 3.21Å; W127-L131 HydrophobicContact CZ3-CD2 4.32Å; W127-L131 HydrophobicContact CZ3-CG 4.06Å; W127-L131 PolarHBondContact O-N 3.28Å; I128-L131 WeakPolarHBondContact O-CB 3.36Å; I128-L131 PolarHBondContact O-N 3.33Å; L131-V135 HydrophobicContact CB-CB 4.14Å; L131-V135 HydrophobicContact CB-CG1 4.33Å; L131-V135 HydrophobicContact CD1-CB 4.32Å; L131-V135 HydrophobicContact CD1-CG1 3.62Å; L131-V135 HydrophobicContact CD2-CG1 4.38Å; L131-V135 HydrophobicContact CG-CG1 4.35Å; L131-Q136 HydrophobicContact CB-CG 4.19Å; L131-Q136 WeakPolarHBondContact O-CG 3.46Å; L131-Q136 PolarHBondContact O-NE2 2.98Å; L131-L139 HydrophobicContact CD1-CD1 3.41Å; L131-L139 VanDerWaalsContact CD1-CD1 3.41Å |
| 132 | P | 67.2 | Low | 61.7 | Low | 68 Ų | 68 | 62.8 Ų | 62.8 | 44% | 0.442 | 32% | 0.32 | S | S | . | . | trans | -50.8 | 140.9 | 167.5 | -29.9 | 38.7 | 0 | 0 | 0 | 112.2 | N134 V135 Q136 | P132-N134 WeakPolarHBondContact CB-OD1 3.19Å; P132-N134 PolarHBondContact O-N 3.46Å; P132-V135 HydrophobicContact CB-CG2 4.49Å; P132-V135 WeakPolarHBondContact O-CA 3.35Å; P132-V135 WeakPolarHBondContact O-CB 3.29Å; P132-V135 PolarHBondContact O-N 3.32Å; P132-Q136 PolarHBondContact O-N 3.24Å; P132-Q136 VanDerWaalsContact O-N 3.16Å | ||
| 133 | V | 66.4 | Low | 61.5 | Low | 106 Ų | 106 | 68.4 Ų | 68.4 | 64% | 0.642 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -52.2 | -37 | -172.6 | 176.5 | 0 | 0 | 0 | 0 | 112.6 | V135 Q136 T137 | V133-V135 VanDerWaalsContact C-N 3.27Å; V133-V135 PolarHBondContact O-N 2.97Å; V133-Q136 WeakPolarHBondContact O-CB 3.28Å; V133-Q136 PolarHBondContact O-N 2.84Å; V133-Q136 VanDerWaalsContact O-N 3.15Å; V133-T137 PolarHBondContact O-N 3.13Å; V133-T137 PolarHBondContact O-OG1 2.94Å |
| 134 | N | 60.8 | Low | 61.4 | Low | 70 Ų | 70 | 72.6 Ų | 72.6 | 37% | 0.374 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.4 | -35 | 176.4 | 59.4 | -49.2 | 0 | 0 | 0 | 113.1 | P132 C138 T161 | P132-N134 WeakPolarHBondContact CB-OD1 3.19Å; P132-N134 PolarHBondContact O-N 3.46Å; N134-C138 PolarHBondContact O-N 2.91Å; N134-C138 PolarHBondContact O-SG 3.33Å; N134-T161 WeakPolarHBondContact ND2-CG2 3.18Å |
| 135 | V | 64.2 | Low | 61 | Low | 21 Ų | 21 | 78.1 Ų | 78.1 | 13% | 0.127 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -78.7 | -37.9 | 175.8 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | L131 P132 V133 T137 C138 L139 V157 | L131-V135 HydrophobicContact CB-CB 4.14Å; L131-V135 HydrophobicContact CB-CG1 4.33Å; L131-V135 HydrophobicContact CD1-CB 4.32Å; L131-V135 HydrophobicContact CD1-CG1 3.62Å; L131-V135 HydrophobicContact CD2-CG1 4.38Å; L131-V135 HydrophobicContact CG-CG1 4.35Å; P132-V135 HydrophobicContact CB-CG2 4.49Å; P132-V135 WeakPolarHBondContact O-CA 3.35Å; P132-V135 WeakPolarHBondContact O-CB 3.29Å; P132-V135 PolarHBondContact O-N 3.32Å; V133-V135 VanDerWaalsContact C-N 3.27Å; V133-V135 PolarHBondContact O-N 2.97Å; V135-T137 PolarHBondContact O-N 3.49Å; V135-C138 PolarHBondContact O-N 2.94Å; V135-L139 HydrophobicContact CG1-CD1 3.96Å; V135-L139 HydrophobicContact CG1-CG 4.31Å; V135-L139 WeakPolarHBondContact O-CG 3.22Å; V135-L139 PolarHBondContact O-N 3.11Å; V135-V157 HydrophobicContact CG1-CG1 4.29Å; V135-V157 HydrophobicContact CG2-CG1 3.84Å |
| 136 | Q | 65.4 | Low | 60.6 | Low | 53 Ų | 53 | 69.5 Ų | 69.5 | 25% | 0.248 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 175.9 | -60.3 | -169.7 | 18.7 | 0 | 0 | 112.1 | I128 Q129 L131 P132 V133 C138 L139 A140 | I128-Q136 HydrophobicContact CG2-CB 4.26Å; I128-Q136 HydrophobicContact CG2-CG 4.06Å; I128-Q136 WeakPolarHBondContact O-CG 3.33Å; I128-Q136 PolarHBondContact O-NE2 3.25Å; I128-Q136 VanDerWaalsContact O-NE2 3.11Å; Q129-Q136 PolarHBondContact O-NE2 3.02Å; L131-Q136 HydrophobicContact CB-CG 4.19Å; L131-Q136 WeakPolarHBondContact O-CG 3.46Å; L131-Q136 PolarHBondContact O-NE2 2.98Å; P132-Q136 PolarHBondContact O-N 3.24Å; P132-Q136 VanDerWaalsContact O-N 3.16Å; V133-Q136 WeakPolarHBondContact O-CB 3.28Å; V133-Q136 PolarHBondContact O-N 2.84Å; V133-Q136 VanDerWaalsContact O-N 3.15Å; Q136-C138 VanDerWaalsContact C-N 3.31Å; Q136-C138 PolarHBondContact O-N 3.2Å; Q136-L139 PolarHBondContact O-N 3.35Å; Q136-A140 WeakPolarHBondContact O-CB 3.41Å; Q136-A140 PolarHBondContact O-N 3.01Å |
| 137 | T | 60.8 | Low | 60 | Low | 86 Ų | 86 | 71.3 Ų | 71.3 | 53% | 0.528 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.9 | -36.6 | 179 | -48.4 | 0 | 0 | 0 | 0 | 111.9 | V133 V135 | V133-T137 PolarHBondContact O-N 3.13Å; V133-T137 PolarHBondContact O-OG1 2.94Å; V135-T137 PolarHBondContact O-N 3.49Å |
| 138 | C | 60.2 | Low | 59.3 | Low | 12 Ų | 12 | 76.6 Ų | 76.6 | 8% | 0.081 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.6 | -45.2 | 174.6 | -66.4 | 0 | 0 | 0 | 0 | 111.1 | N134 V135 Q136 R141 T142 | N134-C138 PolarHBondContact O-N 2.91Å; N134-C138 PolarHBondContact O-SG 3.33Å; V135-C138 PolarHBondContact O-N 2.94Å; Q136-C138 VanDerWaalsContact C-N 3.31Å; Q136-C138 PolarHBondContact O-N 3.2Å; C138-R141 PolarHBondContact O-N 3.14Å; C138-T142 PolarHBondContact O-OG1 3.14Å |
| 139 | L | 60.5 | Low | 58.6 | Low | 14 Ų | 14 | 78.8 Ų | 78.8 | 7% | 0.073 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -69.9 | -32.8 | -179.7 | -68.8 | 174.1 | 0 | 0 | 0 | 113.1 | W127 I128 L131 V135 Q136 R141 T142 L150 | W127-L139 HydrophobicContact CZ3-CD1 4.18Å; I128-L139 HydrophobicContact CG1-CD1 4.13Å; L131-L139 HydrophobicContact CD1-CD1 3.41Å; L131-L139 VanDerWaalsContact CD1-CD1 3.41Å; V135-L139 HydrophobicContact CG1-CD1 3.96Å; V135-L139 HydrophobicContact CG1-CG 4.31Å; V135-L139 WeakPolarHBondContact O-CG 3.22Å; V135-L139 PolarHBondContact O-N 3.11Å; Q136-L139 PolarHBondContact O-N 3.35Å; L139-R141 VanDerWaalsContact C-N 3.27Å; L139-R141 PolarHBondContact O-N 3Å; L139-T142 WeakPolarHBondContact CA-OG1 3.34Å; L139-T142 PolarHBondContact O-N 2.99Å; L139-T142 PolarHBondContact O-OG1 3.09Å; L139-L150 HydrophobicContact CD1-CD2 4.22Å; L139-L150 HydrophobicContact CD2-CD2 3.91Å |
| 140 | A | 60.2 | Low | 57.9 | Low | 86 Ų | 86 | 73.4 Ų | 73.4 | 71% | 0.711 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -68.6 | -24.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q136 T142 | Q136-A140 WeakPolarHBondContact O-CB 3.41Å; Q136-A140 PolarHBondContact O-N 3.01Å; A140-T142 VanDerWaalsContact C-N 3.28Å |
| 141 | R | 56.5 | Low | 57.2 | Low | 201 Ų | 201 | 73.5 Ų | 73.5 | 76% | 0.758 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -19.3 | 178.4 | -164.1 | 169.2 | -174.3 | 168 | 0.5 | 112.6 | C138 L139 | C138-R141 PolarHBondContact O-N 3.14Å; L139-R141 VanDerWaalsContact C-N 3.27Å; L139-R141 PolarHBondContact O-N 3Å |
| 142 | T | 55 | Low | 56.5 | Low | 37 Ų | 37 | 83 Ų | 83 | 23% | 0.227 | 44% | 0.44 | C | S | . | . | trans | -103.7 | 113.7 | -179 | 35 | 0 | 0 | 0 | 0 | 109.2 | C138 L139 A140 E144 Y146 L186 | C138-T142 PolarHBondContact O-OG1 3.14Å; L139-T142 WeakPolarHBondContact CA-OG1 3.34Å; L139-T142 PolarHBondContact O-N 2.99Å; L139-T142 PolarHBondContact O-OG1 3.09Å; A140-T142 VanDerWaalsContact C-N 3.28Å; T142-E144 PolarHBondContact O-N 3.39Å; T142-Y146 VanDerWaalsContact CB-CE2 3.48Å; T142-Y146 WeakPolarHBondContact CB-OH 3.19Å; T142-Y146 WeakPolarHBondContact CG2-OH 3.48Å; T142-Y146 WeakPolarHBondContact O-CE2 3.43Å; T142-L186 HydrophobicContact CG2-CD1 4.05Å | ||
| 143 | N | 52.3 | Low | 55.6 | Low | 169 Ų | 169 | 81.4 Ų | 81.4 | 90% | 0.904 | 43% | 0.427 | S | S | * | . | trans | -94.7 | 26.1 | -172.5 | -160.9 | 19.4 | 0 | 0 | 0 | 113.3 | ||||
| 144 | E | 54.2 | Low | 54.8 | Low | 101 Ų | 101 | 76.8 Ų | 76.8 | 47% | 0.472 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -92.3 | 152.8 | -177.4 | -53.2 | -176.3 | 158.2 | 0 | 0 | 112.6 | T142 Y146 K149 | T142-E144 PolarHBondContact O-N 3.39Å; E144-Y146 HydrophobicContact CB-CD2 4.33Å; E144-Y146 HydrophobicContact CB-CE1 4.04Å; E144-Y146 HydrophobicContact CB-CE2 3.73Å; E144-Y146 WeakPolarHBondContact CB-OH 3.49Å; E144-Y146 HydrophobicContact CG-CE2 4.47Å; E144-Y146 VanDerWaalsContact CG-OH 3.31Å; E144-Y146 WeakPolarHBondContact CG-OH 3.12Å; E144-Y146 WeakPolarHBondContact O-CD2 3.45Å; E144-Y146 VanDerWaalsContact O-CE2 3.27Å; E144-Y146 WeakPolarHBondContact O-CE2 3.45Å; E144-Y146 PolarHBondContact O-N 3.28Å; E144-Y146 PolarHBondContact OE2-OH 2.86Å; E144-K149 IonicContact OE2-NZ 3.61Å; E144-K149 PolarHBondContact OE2-NZ 3.38Å |
| 145 | D | 53.5 | Low | 54 | Low | 164 Ų | 164 | 77.5 Ų | 77.5 | 88% | 0.877 | 40% | 0.403 | S | S | * | . | trans | -65 | 79 | 169.4 | -91.6 | -43.1 | 0 | 0 | 0 | 110.6 | S147 | D145-S147 PolarHBondContact O-N 2.92Å; D145-S147 VanDerWaalsContact O-N 3.1Å | ||
| 146 | Y | 53 | Low | 53.3 | Low | 5 Ų | 5 | 81.2 Ų | 81.2 | 2% | 0.02 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 2.8 | -176.2 | -74.4 | -65.9 | 0 | 0 | 0 | 114.5 | T142 E144 N148 K149 L150 L186 | T142-Y146 VanDerWaalsContact CB-CE2 3.48Å; T142-Y146 WeakPolarHBondContact CB-OH 3.19Å; T142-Y146 WeakPolarHBondContact CG2-OH 3.48Å; T142-Y146 WeakPolarHBondContact O-CE2 3.43Å; E144-Y146 HydrophobicContact CB-CD2 4.33Å; E144-Y146 HydrophobicContact CB-CE1 4.04Å; E144-Y146 HydrophobicContact CB-CE2 3.73Å; E144-Y146 WeakPolarHBondContact CB-OH 3.49Å; E144-Y146 HydrophobicContact CG-CE2 4.47Å; E144-Y146 VanDerWaalsContact CG-OH 3.31Å; E144-Y146 WeakPolarHBondContact CG-OH 3.12Å; E144-Y146 WeakPolarHBondContact O-CD2 3.45Å; E144-Y146 VanDerWaalsContact O-CE2 3.27Å; E144-Y146 WeakPolarHBondContact O-CE2 3.45Å; E144-Y146 PolarHBondContact O-N 3.28Å; E144-Y146 PolarHBondContact OE2-OH 2.86Å; Y146-N148 PolarHBondContact O-N 3.23Å; Y146-K149 HydrophobicContact CD1-CB 4.09Å; Y146-K149 HydrophobicContact CD1-CD 4.23Å; Y146-K149 HydrophobicContact CE1-CD 4.25Å; Y146-K149 PolarHBondContact O-N 3.26Å; Y146-L150 HydrophobicContact CG-CD1 4.29Å; Y146-L150 HydrophobicContact CG-CG 4.46Å; Y146-L150 WeakPolarHBondContact O-CB 3.33Å; Y146-L150 PolarHBondContact O-N 3.36Å; Y146-L186 HydrophobicContact CD1-CD2 3.97Å; Y146-L186 HydrophobicContact CE1-CD1 3.64Å; Y146-L186 HydrophobicContact CE1-CD2 3.5Å; Y146-L186 VanDerWaalsContact CE1-CD2 3.5Å; Y146-L186 HydrophobicContact CE1-CG 4.1Å |
| 147 | S | 49.3 | Very low | 52.5 | Low | 48 Ų | 48 | 80.2 Ų | 80.2 | 34% | 0.336 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -47.7 | -41.4 | -178.2 | 175.6 | 0 | 0 | 0 | 0 | 112.8 | D145 | D145-S147 PolarHBondContact O-N 2.92Å; D145-S147 VanDerWaalsContact O-N 3.1Å |
| 148 | N | 47.2 | Very low | 51.9 | Low | 133 Ų | 133 | 83 Ų | 83 | 71% | 0.711 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -88.8 | -26.6 | 179.2 | -72.5 | -38.6 | 0 | 0 | 0 | 114.4 | Y146 | Y146-N148 PolarHBondContact O-N 3.23Å |
| 149 | K | 50.5 | Low | 51.1 | Low | 79 Ų | 79 | 88 Ų | 88 | 34% | 0.343 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -82.8 | -36.5 | -179.6 | -68.5 | -174.2 | -174.2 | 173 | 0 | 111.7 | E144 Y146 A151 R152 L186 | E144-K149 IonicContact OE2-NZ 3.61Å; E144-K149 PolarHBondContact OE2-NZ 3.38Å; Y146-K149 HydrophobicContact CD1-CB 4.09Å; Y146-K149 HydrophobicContact CD1-CD 4.23Å; Y146-K149 HydrophobicContact CE1-CD 4.25Å; Y146-K149 PolarHBondContact O-N 3.26Å; K149-A151 VanDerWaalsContact C-N 3.34Å; K149-A151 PolarHBondContact O-N 3.16Å; K149-R152 WeakPolarHBondContact O-CB 3.48Å; K149-R152 PolarHBondContact O-N 2.92Å; K149-R152 VanDerWaalsContact O-N 3.08Å; K149-L186 HydrophobicContact CB-CD2 4.43Å; K149-L186 HydrophobicContact CD-CD2 3.82Å; K149-L186 PolarHBondContact NZ-O 2.8Å |
| 150 | L | 50.6 | Low | 50.4 | Low | 13 Ų | 13 | 90.7 Ų | 90.7 | 7% | 0.068 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -69.5 | -29.3 | 177 | -73.3 | 162.2 | 0 | 0 | 0 | 113.2 | H124 W127 L139 Y146 R152 L153 | H124-L150 VanDerWaalsContact CD2-CD1 3.47Å; H124-L150 WeakPolarHBondContact CD2-CD1 3.4Å; H124-L150 VanDerWaalsContact NE2-CD1 3.29Å; H124-L150 WeakPolarHBondContact NE2-CD1 3.38Å; W127-L150 HydrophobicContact CE3-CD1 4.24Å; W127-L150 HydrophobicContact CE3-CD2 4.37Å; W127-L150 HydrophobicContact CH2-CB 4.48Å; W127-L150 HydrophobicContact CH2-CD2 3.74Å; W127-L150 HydrophobicContact CZ3-CB 4.28Å; W127-L150 HydrophobicContact CZ3-CD1 3.99Å; W127-L150 HydrophobicContact CZ3-CD2 3.35Å; W127-L150 HydrophobicContact CZ3-CG 4.04Å; L139-L150 HydrophobicContact CD1-CD2 4.22Å; L139-L150 HydrophobicContact CD2-CD2 3.91Å; Y146-L150 HydrophobicContact CG-CD1 4.29Å; Y146-L150 HydrophobicContact CG-CG 4.46Å; Y146-L150 WeakPolarHBondContact O-CB 3.33Å; Y146-L150 PolarHBondContact O-N 3.36Å; L150-R152 PolarHBondContact O-N 3.38Å; L150-R152 VanDerWaalsContact O-N 3.1Å; L150-L153 HydrophobicContact CD2-CB 4.46Å; L150-L153 HydrophobicContact CD2-CD1 3.48Å; L150-L153 VanDerWaalsContact CD2-CD1 3.48Å; L150-L153 HydrophobicContact CG-CD1 4.23Å; L150-L153 PolarHBondContact O-N 3.3Å |
| 151 | A | 49 | Very low | 49.9 | Very low | 55 Ų | 55 | 89.4 Ų | 89.4 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -24.9 | 170 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q106 K149 P154 | Q106-A151 PolarHBondContact NE2-O 3.1Å; K149-A151 VanDerWaalsContact C-N 3.34Å; K149-A151 PolarHBondContact O-N 3.16Å; A151-P154 WeakPolarHBondContact O-CD 3.43Å |
| 152 | R | 49.2 | Very low | 49.1 | Very low | 221 Ų | 221 | 82.6 Ų | 82.6 | 83% | 0.834 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -5.7 | 177.5 | -59 | -176.8 | 177.3 | -170.9 | -1.1 | 114.4 | K149 L150 | K149-R152 WeakPolarHBondContact O-CB 3.48Å; K149-R152 PolarHBondContact O-N 2.92Å; K149-R152 VanDerWaalsContact O-N 3.08Å; L150-R152 PolarHBondContact O-N 3.38Å; L150-R152 VanDerWaalsContact O-N 3.1Å |
| 153 | L | 48.3 | Very low | 48.2 | Very low | 35 Ų | 35 | 88.7 Ų | 88.7 | 18% | 0.183 | 46% | 0.463 | C | S | . | . | trans | -88.1 | -8.3 | -178.3 | -81.9 | 161.7 | 0 | 0 | 0 | 118 | L150 D155 K156 V157 | L150-L153 HydrophobicContact CD2-CB 4.46Å; L150-L153 HydrophobicContact CD2-CD1 3.48Å; L150-L153 VanDerWaalsContact CD2-CD1 3.48Å; L150-L153 HydrophobicContact CG-CD1 4.23Å; L150-L153 PolarHBondContact O-N 3.3Å; L153-D155 VanDerWaalsContact C-N 3.29Å; L153-D155 PolarHBondContact O-N 3Å; L153-D155 VanDerWaalsContact O-N 3.16Å; L153-K156 PolarHBondContact O-N 3.42Å; L153-V157 HydrophobicContact CB-CG2 4.27Å; L153-V157 HydrophobicContact CD2-CG2 4.31Å; L153-V157 PolarHBondContact O-N 3.05Å | ||
| 154 | P | 49.5 | Very low | 47.6 | Very low | 10 Ų | 10 | 84.9 Ų | 84.9 | 7% | 0.065 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.5 | -36 | -166.6 | 28.3 | -37.4 | 0 | 0 | 0 | 113.1 | P102 A151 | P102-P154 HydrophobicContact CB-CB 3.19Å; P102-P154 HydrophobicContact CG-CB 4.32Å; P102-P154 WeakPolarHBondContact CG-O 3.4Å; A151-P154 WeakPolarHBondContact O-CD 3.43Å |
| 155 | D | 45.6 | Very low | 46.7 | Very low | 84 Ų | 84 | 86.6 Ų | 86.6 | 45% | 0.449 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -87.3 | -11.9 | -172.6 | -64.9 | -24 | 0 | 0 | 0 | 113.3 | R103 L153 | R103-D155 IonicContact CZ-OD1 2.91Å; R103-D155 IonicContact CZ-OD2 3.68Å; R103-D155 IonicContact NE-OD1 3.33Å; R103-D155 PolarHBondContact NE-OD1 3.39Å; R103-D155 IonicContact NE-OD2 2.73Å; R103-D155 IonicContact NH2-OD1 2.92Å; R103-D155 PolarHBondContact NH2-OD1 2.97Å; R103-D155 IonicContact NH2-OD2 3.55Å; R103-D155 PolarHBondContact NH2-OD2 3.28Å; L153-D155 VanDerWaalsContact C-N 3.29Å; L153-D155 PolarHBondContact O-N 3Å; L153-D155 VanDerWaalsContact O-N 3.16Å |
| 156 | K | 48 | Very low | 45.8 | Very low | 100 Ų | 100 | 84.7 Ų | 84.7 | 44% | 0.435 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -107.7 | -22.9 | -174.2 | -70.5 | -170.9 | -179.9 | -169.7 | 0 | 114.6 | L153 Y158 L159 Y185 | L153-K156 PolarHBondContact O-N 3.42Å; K156-Y158 VanDerWaalsContact C-N 3.25Å; K156-Y158 PolarHBondContact O-N 3.41Å; K156-L159 PolarHBondContact O-N 2.95Å; K156-Y185 HydrophobicContact CD-CE1 4.24Å; K156-Y185 PolarHBondContact NZ-OH 2.93Å |
| 157 | V | 49.4 | Very low | 44.8 | Very low | 31 Ų | 31 | 90 Ų | 90 | 19% | 0.188 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -64.2 | -34.6 | 175.2 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | V135 L153 L159 V160 T161 | V135-V157 HydrophobicContact CG1-CG1 4.29Å; V135-V157 HydrophobicContact CG2-CG1 3.84Å; L153-V157 HydrophobicContact CB-CG2 4.27Å; L153-V157 HydrophobicContact CD2-CG2 4.31Å; L153-V157 PolarHBondContact O-N 3.05Å; V157-L159 VanDerWaalsContact C-N 3.32Å; V157-L159 PolarHBondContact O-N 3.14Å; V157-V160 PolarHBondContact O-N 3.45Å; V157-T161 PolarHBondContact O-N 3.05Å; V157-T161 PolarHBondContact O-OG1 3.36Å |
| 158 | Y | 48.4 | Very low | 43.9 | Very low | 144 Ų | 144 | 95.6 Ų | 95.6 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.2 | -30.4 | 177.9 | -151.7 | -91.2 | 0 | 0 | 0 | 113.4 | G99 K156 V160 G162 | G99-Y158 WeakPolarHBondContact O-CE2 3.32Å; K156-Y158 VanDerWaalsContact C-N 3.25Å; K156-Y158 PolarHBondContact O-N 3.41Å; Y158-V160 VanDerWaalsContact C-N 3.3Å; Y158-V160 PolarHBondContact O-N 3.37Å; Y158-G162 PolarHBondContact O-N 2.91Å |
| 159 | L | 41.9 | Very low | 43.2 | Very low | 119 Ų | 119 | 96.4 Ų | 96.4 | 62% | 0.623 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.9 | -26.9 | 176.5 | -70.1 | 169.4 | 0 | 0 | 0 | 112.3 | K156 V157 | K156-L159 PolarHBondContact O-N 2.95Å; V157-L159 VanDerWaalsContact C-N 3.32Å; V157-L159 PolarHBondContact O-N 3.14Å |
| 160 | V | 47.7 | Very low | 42.4 | Very low | 70 Ų | 70 | 98 Ų | 98 | 42% | 0.424 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -83.7 | -29 | 179.9 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | V157 Y158 I178 | V157-V160 PolarHBondContact O-N 3.45Å; Y158-V160 VanDerWaalsContact C-N 3.3Å; Y158-V160 PolarHBondContact O-N 3.37Å; V160-I178 HydrophobicContact CG1-CG1 4.1Å; V160-I178 HydrophobicContact CG1-CG2 4.25Å |
| 161 | T | 48.7 | Very low | 41.9 | Very low | 58 Ų | 58 | 102.7 Ų | 102.7 | 36% | 0.356 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -89.1 | -18.5 | 174.4 | 22.1 | 0 | 0 | 0 | 0 | 114.5 | N134 V157 M163 | N134-T161 WeakPolarHBondContact ND2-CG2 3.18Å; V157-T161 PolarHBondContact O-N 3.05Å; V157-T161 PolarHBondContact O-OG1 3.36Å; T161-M163 VanDerWaalsContact C-N 3.33Å |
| 162 | G | 40.7 | Very low | 41.4 | Very low | 58 Ų | 58 | 105.2 Ų | 105.2 | 60% | 0.598 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -77.3 | -11.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y158 | Y158-G162 PolarHBondContact O-N 2.91Š|
| 163 | M | 35.7 | Very low | 41.2 | Very low | 165 Ų | 165 | 99.7 Ų | 99.7 | 81% | 0.813 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -105.3 | 43.8 | -176.3 | -67.3 | -177 | 63.2 | 0 | 0 | 113.3 | T161 | T161-M163 VanDerWaalsContact C-N 3.33Š|
| 164 | S | 39.1 | Very low | 40.9 | Very low | 90 Ų | 90 | 102.3 Ų | 102.3 | 63% | 0.629 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -167.2 | 62.4 | 167.4 | -167.7 | 0 | 0 | 0 | 0 | 114 | ||
| 165 | V | 35.1 | Very low | 40.5 | Very low | 136 Ų | 136 | 107.4 Ų | 107.4 | 82% | 0.824 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -130.9 | 5.6 | 166.5 | -166.9 | 0 | 0 | 0 | 0 | 113 | ||
| 166 | S | 34.3 | Very low | 40.2 | Very low | 124 Ų | 124 | 109.2 Ų | 109.2 | 87% | 0.867 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -118.4 | 10.5 | -169.3 | -41.4 | 0 | 0 | 0 | 0 | 116.8 | ||
| 167 | S | 33.1 | Very low | 39.9 | Very low | 116 Ų | 116 | 113.5 Ų | 113.5 | 81% | 0.811 | 65% | 0.651 | S | S | * | * | trans | -147.2 | 119.4 | 171.8 | 68.7 | 0 | 0 | 0 | 0 | 113 | N169 | S167-N169 PolarHBondContact O-N 3.49Š| ||
| 168 | I | 30.1 | Very low | 39.4 | Very low | 166 Ų | 166 | 114.4 Ų | 114.4 | 85% | 0.851 | 65% | 0.654 | S | S | * | * | trans | -59 | 111.8 | 174.1 | -60.5 | 149.5 | 0 | 0 | 0 | 109.7 | ||||
| 169 | N | 32.7 | Very low | 39.1 | Very low | 151 Ų | 151 | 109 Ų | 109 | 81% | 0.807 | 64% | 0.635 | S | S | * | * | trans | -176.9 | 128.4 | 144.9 | -104.7 | -20 | 0 | 0 | 0 | 111 | S167 | S167-N169 PolarHBondContact O-N 3.49Š| ||
| 170 | P | 33.2 | Very low | 39.1 | Very low | 111 Ų | 111 | 106.6 Ų | 106.6 | 72% | 0.721 | 63% | 0.627 | S | S | * | * | trans | -91.3 | 178.6 | 169.7 | 38.8 | -31.9 | 0 | 0 | 0 | 110.3 | ||||
| 171 | P | 39.4 | Very low | 38.8 | Very low | 112 Ų | 112 | 105.6 Ų | 105.6 | 73% | 0.727 | 63% | 0.627 | S | S | * | * | S | Bend | -120.4 | 160.5 | -55.4 | 35.2 | -22 | 0 | 0 | 0 | 109.9 | |||
| 172 | S | 40.3 | Very low | 38.4 | Very low | 109 Ų | 109 | 105 Ų | 105 | 76% | 0.762 | 62% | 0.623 | S | S | * | * | S | Bend | trans | 143.4 | -16 | 148 | 58.3 | 0 | 0 | 0 | 0 | 117 | ||
| 173 | V | 44.3 | Very low | 38.6 | Very low | 104 Ų | 104 | 106.5 Ų | 106.5 | 63% | 0.63 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -107.6 | -16.5 | -170.5 | -172.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 174 | T | 41.4 | Very low | 38.9 | Very low | 91 Ų | 91 | 102.5 Ų | 102.5 | 56% | 0.558 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -78 | -27.5 | -174.4 | 8.2 | 0 | 0 | 0 | 0 | 114.1 | D176 I178 | T174-D176 VanDerWaalsContact C-N 3.32Å; T174-D176 PolarHBondContact O-N 3.31Å; T174-I178 PolarHBondContact O-N 3.3Å |
| 175 | H | 40.8 | Very low | 38.9 | Very low | 117 Ų | 117 | 105.1 Ų | 105.1 | 54% | 0.542 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.5 | -32.7 | -176.4 | -134.8 | -58.1 | 0 | 0 | 0 | 112.6 | L179 | H175-L179 WeakPolarHBondContact O-CG 3.35Å; H175-L179 PolarHBondContact O-N 3.34Å |
| 176 | D | 40.8 | Very low | 39 | Very low | 121 Ų | 121 | 99.7 Ų | 99.7 | 65% | 0.647 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -77.3 | -30.9 | -176.1 | -136.7 | 12.9 | 0 | 0 | 0 | 112.3 | T174 L179 S180 | T174-D176 VanDerWaalsContact C-N 3.32Å; T174-D176 PolarHBondContact O-N 3.31Å; D176-L179 PolarHBondContact O-N 3.5Å; D176-S180 WeakPolarHBondContact O-CB 3.5Å; D176-S180 PolarHBondContact O-N 3.06Å |
| 177 | R | 40.4 | Very low | 39.1 | Very low | 191 Ų | 191 | 103.9 Ų | 103.9 | 72% | 0.721 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.8 | -36.6 | 175.4 | -74.8 | -173.9 | 165.2 | 176.5 | -3.1 | 112.7 | S180 A181 | R177-S180 PolarHBondContact O-N 2.92Å; R177-A181 WeakPolarHBondContact O-CB 3.41Å; R177-A181 PolarHBondContact O-N 3.04Å |
| 178 | I | 40.1 | Very low | 39.4 | Very low | 49 Ų | 49 | 103.3 Ų | 103.3 | 25% | 0.251 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.7 | -42.8 | 174.9 | -62.9 | 171.3 | 0 | 0 | 0 | 109.5 | V160 T174 A181 V182 | V160-I178 HydrophobicContact CG1-CG1 4.1Å; V160-I178 HydrophobicContact CG1-CG2 4.25Å; T174-I178 PolarHBondContact O-N 3.3Å; I178-A181 PolarHBondContact O-N 3.35Å; I178-V182 HydrophobicContact CG2-CG2 4.46Å; I178-V182 WeakPolarHBondContact O-CB 3.07Å; I178-V182 VanDerWaalsContact O-CG2 3.23Å; I178-V182 WeakPolarHBondContact O-CG2 3.26Å; I178-V182 PolarHBondContact O-N 3.37Å |
| 179 | L | 41 | Very low | 39.9 | Very low | 32 Ų | 32 | 100 Ų | 100 | 17% | 0.168 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 175.7 | -70.4 | 171.8 | 0 | 0 | 0 | 111.8 | H175 D176 A181 V182 I183 | H175-L179 WeakPolarHBondContact O-CG 3.35Å; H175-L179 PolarHBondContact O-N 3.34Å; D176-L179 PolarHBondContact O-N 3.5Å; L179-A181 PolarHBondContact O-N 2.95Å; L179-V182 PolarHBondContact O-N 2.88Å; L179-I183 HydrophobicContact CB-CD1 4.39Å; L179-I183 VanDerWaalsContact O-CB 3.26Å; L179-I183 WeakPolarHBondContact O-CB 3.49Å; L179-I183 WeakPolarHBondContact O-CD1 3.39Å; L179-I183 WeakPolarHBondContact O-CG1 3.34Å; L179-I183 PolarHBondContact O-N 2.85Å |
| 180 | S | 41.3 | Very low | 40.3 | Very low | 67 Ų | 67 | 97.2 Ų | 97.2 | 47% | 0.469 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 176.3 | 175.6 | 0 | 0 | 0 | 0 | 112.4 | D176 R177 V182 I183 C184 | D176-S180 WeakPolarHBondContact O-CB 3.5Å; D176-S180 PolarHBondContact O-N 3.06Å; R177-S180 PolarHBondContact O-N 2.92Å; S180-V182 VanDerWaalsContact C-N 3.35Å; S180-V182 PolarHBondContact O-N 2.96Å; S180-I183 PolarHBondContact O-N 3.06Å; S180-C184 VanDerWaalsContact O-CB 3.25Å; S180-C184 WeakPolarHBondContact O-CB 3.31Å; S180-C184 PolarHBondContact O-N 3.35Å; S180-C184 PolarHBondContact O-SG 3.08Å; S180-C184 VanDerWaalsContact O-SG 3.39Å |
| 181 | A | 42.9 | Very low | 40.7 | Very low | 50 Ų | 50 | 96.4 Ų | 96.4 | 41% | 0.413 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.8 | -37.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | R177 I178 L179 Y185 | R177-A181 WeakPolarHBondContact O-CB 3.41Å; R177-A181 PolarHBondContact O-N 3.04Å; I178-A181 PolarHBondContact O-N 3.35Å; L179-A181 PolarHBondContact O-N 2.95Å; A181-Y185 WeakPolarHBondContact O-CB 3.48Å; A181-Y185 PolarHBondContact O-N 3.21Å |
| 182 | V | 40.4 | Very low | 40.8 | Very low | 44 Ų | 44 | 95.4 Ų | 95.4 | 27% | 0.267 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.7 | -44.1 | 176.7 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | I178 L179 S180 Y185 L186 | I178-V182 HydrophobicContact CG2-CG2 4.46Å; I178-V182 WeakPolarHBondContact O-CB 3.07Å; I178-V182 VanDerWaalsContact O-CG2 3.23Å; I178-V182 WeakPolarHBondContact O-CG2 3.26Å; I178-V182 PolarHBondContact O-N 3.37Å; L179-V182 PolarHBondContact O-N 2.88Å; S180-V182 VanDerWaalsContact C-N 3.35Å; S180-V182 PolarHBondContact O-N 2.96Å; V182-Y185 PolarHBondContact O-N 3.24Å; V182-L186 HydrophobicContact CG1-CD1 3.77Å; V182-L186 HydrophobicContact CG1-CG 4.43Å; V182-L186 VanDerWaalsContact O-CG 3.23Å; V182-L186 WeakPolarHBondContact O-CG 3.24Å; V182-L186 PolarHBondContact O-N 3.25Å |
| 183 | I | 43.6 | Very low | 40.8 | Very low | 90 Ų | 90 | 94.5 Ų | 94.5 | 46% | 0.462 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 178.3 | -68.1 | 167.5 | 0 | 0 | 0 | 110.8 | L179 S180 Y185 L186 Q187 | L179-I183 HydrophobicContact CB-CD1 4.39Å; L179-I183 VanDerWaalsContact O-CB 3.26Å; L179-I183 WeakPolarHBondContact O-CB 3.49Å; L179-I183 WeakPolarHBondContact O-CD1 3.39Å; L179-I183 WeakPolarHBondContact O-CG1 3.34Å; L179-I183 PolarHBondContact O-N 2.85Å; S180-I183 PolarHBondContact O-N 3.06Å; I183-Y185 PolarHBondContact O-N 3.11Å; I183-L186 PolarHBondContact O-N 3.03Å; I183-L186 VanDerWaalsContact O-N 3.12Å; I183-Q187 PolarHBondContact O-N 3.09Å |
| 184 | C | 42.6 | Very low | 40.6 | Very low | 81 Ų | 81 | 93.8 Ų | 93.8 | 55% | 0.547 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.1 | -20.3 | 176.8 | -76.3 | 0 | 0 | 0 | 0 | 113.7 | S180 | S180-C184 VanDerWaalsContact O-CB 3.25Å; S180-C184 WeakPolarHBondContact O-CB 3.31Å; S180-C184 PolarHBondContact O-N 3.35Å; S180-C184 PolarHBondContact O-SG 3.08Å; S180-C184 VanDerWaalsContact O-SG 3.39Å |
| 185 | Y | 38.1 | Very low | 40.5 | Very low | 146 Ų | 146 | 94 Ų | 94 | 57% | 0.573 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -91.8 | -11.3 | 176.5 | -118 | -96.8 | 0 | 0 | 0 | 113.6 | K156 A181 V182 I183 | K156-Y185 HydrophobicContact CD-CE1 4.24Å; K156-Y185 PolarHBondContact NZ-OH 2.93Å; A181-Y185 WeakPolarHBondContact O-CB 3.48Å; A181-Y185 PolarHBondContact O-N 3.21Å; V182-Y185 PolarHBondContact O-N 3.24Å; I183-Y185 PolarHBondContact O-N 3.11Å |
| 186 | L | 37.7 | Very low | 40.5 | Very low | 22 Ų | 22 | 92.1 Ų | 92.1 | 12% | 0.115 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -103.6 | -11.2 | -177.9 | -68 | 179.4 | 0 | 0 | 0 | 113.6 | T142 Y146 K149 V182 I183 | T142-L186 HydrophobicContact CG2-CD1 4.05Å; Y146-L186 HydrophobicContact CD1-CD2 3.97Å; Y146-L186 HydrophobicContact CE1-CD1 3.64Å; Y146-L186 HydrophobicContact CE1-CD2 3.5Å; Y146-L186 VanDerWaalsContact CE1-CD2 3.5Å; Y146-L186 HydrophobicContact CE1-CG 4.1Å; K149-L186 HydrophobicContact CB-CD2 4.43Å; K149-L186 HydrophobicContact CD-CD2 3.82Å; K149-L186 PolarHBondContact NZ-O 2.8Å; V182-L186 HydrophobicContact CG1-CD1 3.77Å; V182-L186 HydrophobicContact CG1-CG 4.43Å; V182-L186 VanDerWaalsContact O-CG 3.23Å; V182-L186 WeakPolarHBondContact O-CG 3.24Å; V182-L186 PolarHBondContact O-N 3.25Å; I183-L186 PolarHBondContact O-N 3.03Å; I183-L186 VanDerWaalsContact O-N 3.12Å |
| 187 | Q | 37 | Very low | 40.5 | Very low | 212 Ų | 212 | 89.5 Ų | 89.5 | 99% | 0.991 | 45% | 0.452 | S | S | * | . | trans | -83.3 | 0 | 164.6 | -67.1 | -178.3 | -63.5 | 0 | 0 | 111.1 | I183 | I183-Q187 PolarHBondContact O-N 3.09Š|
Retrieved 187 of 187 residues in 183.4 ms
(Link to these results)