| 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 | 34 | Very low | 70.4 | Confident | 244 Ų | 244 | 113.9 Ų | 113.9 | 100% | 1.202 | 60% | 0.598 | S | S | * | * | 0 | 86.8 | 0 | -69.5 | 171.6 | 170.4 | 0 | 0 | 107.1 | N3 | M1-N3 PolarHBondContact O-N 2.61Š| |||
| 2 | G | 42.8 | Very low | 72.1 | Confident | 74 Ų | 74 | 106.3 Ų | 106.3 | 76% | 0.763 | 56% | 0.557 | S | S | * | * | trans | -75.7 | 107.2 | 179 | 0 | 0 | 0 | 0 | 0 | 108.1 | K4 | G2-K4 VanDerWaalsContact C-N 3.34Å; G2-K4 PolarHBondContact O-N 3.42Å | ||
| 3 | N | 45.6 | Very low | 73.7 | Confident | 154 Ų | 154 | 99.3 Ų | 99.3 | 82% | 0.824 | 52% | 0.521 | S | S | * | . | trans | -53.7 | 108 | 161.5 | -95.3 | -16.5 | 0 | 0 | 0 | 105.6 | M1 Q5 | M1-N3 PolarHBondContact O-N 2.61Å; N3-Q5 PolarHBondContact O-N 3.01Å | ||
| 4 | K | 53.6 | Low | 75 | Confident | 195 Ų | 195 | 97.1 Ų | 97.1 | 85% | 0.848 | 51% | 0.509 | S | S | * | . | trans | -62.5 | 93.9 | 164.7 | -75.1 | -175.9 | 176.4 | -176.8 | 0 | 104.7 | G2 T6 | G2-K4 VanDerWaalsContact C-N 3.34Å; G2-K4 PolarHBondContact O-N 3.42Å; K4-T6 PolarHBondContact O-N 2.98Å | ||
| 5 | Q | 60.5 | Low | 76.2 | Confident | 152 Ų | 152 | 96.5 Ų | 96.5 | 71% | 0.71 | 51% | 0.507 | S | S | * | . | trans | -59.3 | 108.4 | 169.2 | -79.7 | -179.4 | -15 | 0 | 0 | 105.7 | N3 I7 | N3-Q5 PolarHBondContact O-N 3.01Å; Q5-I7 PolarHBondContact O-N 3.11Å | ||
| 6 | T | 81.6 | Confident | 77.2 | Confident | 84 Ų | 84 | 92.7 Ų | 92.7 | 52% | 0.515 | 48% | 0.484 | S | S | . | . | trans | -77.8 | 102.9 | 175.2 | 38.2 | 0 | 0 | 0 | 0 | 107.6 | K4 | K4-T6 PolarHBondContact O-N 2.98Š| ||
| 7 | I | 88.2 | Confident | 78 | Confident | 29 Ų | 29 | 92.3 Ų | 92.3 | 15% | 0.149 | 48% | 0.479 | C | S | . | . | trans | -66.5 | -45.1 | 178.2 | -58 | 177.8 | 0 | 0 | 0 | 109.9 | Q5 L28 H31 M44 Y46 R47 | Q5-I7 PolarHBondContact O-N 3.11Å; I7-L28 HydrophobicContact CB-CD2 4.3Å; I7-L28 HydrophobicContact CD1-CD2 4.07Å; I7-H31 VanDerWaalsContact CG2-CE1 3.46Å; I7-H31 WeakPolarHBondContact CG2-CE1 3.02Å; I7-M44 WeakPolarHBondContact CA-O 3.2Å; I7-M44 WeakPolarHBondContact CG2-O 3.38Å; I7-Y46 CarbonylContact O-C 3.56Å; I7-Y46 WeakPolarHBondContact O-CA 3.48Å; I7-Y46 PolarHBondContact O-N 2.76Å; I7-R47 PolarHBondContact O-N 3.23Å | ||
| 8 | F | 91.8 | Very high | 78.6 | Confident | 7 Ų | 7 | 94.5 Ų | 94.5 | 3% | 0.031 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -118.6 | 161.4 | -179.3 | -61.1 | -79.8 | 0 | 0 | 0 | 110.8 | Q12 L13 Y16 I27 L28 H31 Y46 F88 | F8-Q12 HydrophobicContact CB-CB 4.08Å; F8-Q12 HydrophobicContact CD1-CB 4.32Å; F8-L13 HydrophobicContact CB-CD1 4.41Å; F8-L13 HydrophobicContact CB-CD2 3.96Å; F8-L13 HydrophobicContact CB-CG 3.8Å; F8-L13 HydrophobicContact CD2-CD2 3.87Å; F8-L13 HydrophobicContact CG-CD2 4.13Å; F8-L13 HydrophobicContact CG-CG 4.5Å; F8-Y16 HydrophobicContact CD1-CE2 4.13Å; F8-Y16 AromaticContact CE1-CE2 3.91Å; F8-Y16 HydrophobicContact CE1-CE2 3.91Å; F8-I27 HydrophobicContact CE2-CG2 4.39Å; F8-L28 HydrophobicContact CD2-CD2 3.98Å; F8-L28 HydrophobicContact CE2-CD2 4.35Å; F8-H31 HydrophobicContact CE2-CB 3.78Å; F8-H31 AromaticContact CE2-CG 3.93Å; F8-H31 HydrophobicContact CZ-CB 3.98Å; F8-H31 AromaticContact CZ-CD2 3.69Å; F8-H31 AromaticContact CZ-CG 3.97Å; F8-Y46 HydrophobicContact CD1-CG 4.46Å; F8-Y46 AromaticContact CE1-CD1 3.82Å; F8-Y46 HydrophobicContact CE1-CD1 3.82Å; F8-Y46 AromaticContact CE1-CG 3.72Å; F8-Y46 HydrophobicContact CE1-CG 3.72Å; F8-Y46 HydrophobicContact CZ-CD1 4.36Å; F8-Y46 HydrophobicContact CZ-CG 4.14Å; F8-F88 HydrophobicContact CE1-CD1 4.16Å; F8-F88 AromaticContact CE1-CE1 3.81Å; F8-F88 HydrophobicContact CE1-CE1 3.81Å; F8-F88 HydrophobicContact CE2-CE1 4.27Å; F8-F88 HydrophobicContact CE2-CZ 4.42Å; F8-F88 AromaticContact CZ-CD1 3.95Å; F8-F88 HydrophobicContact CZ-CD1 3.95Å; F8-F88 AromaticContact CZ-CE1 3.32Å; F8-F88 HydrophobicContact CZ-CE1 3.32Å; F8-F88 AromaticContact CZ-CZ 3.8Å; F8-F88 HydrophobicContact CZ-CZ 3.8Å |
| 9 | T | 91.8 | Very high | 79.2 | Confident | 50 Ų | 50 | 95.1 Ų | 95.1 | 31% | 0.307 | 50% | 0.504 | S | S | . | . | trans | -73.9 | 160.5 | 163 | 68.1 | 0 | 0 | 0 | 0 | 110.1 | E11 Q12 L13 R47 | T9-E11 VanDerWaalsContact C-N 3.29Å; T9-E11 PolarHBondContact O-N 3.29Å; T9-Q12 PolarHBondContact O-N 3.02Å; T9-Q12 WeakPolarHBondContact OG1-CB 3.4Å; T9-Q12 VanDerWaalsContact OG1-CG 3.29Å; T9-Q12 WeakPolarHBondContact OG1-CG 3.42Å; T9-Q12 PolarHBondContact OG1-N 3.19Å; T9-Q12 VanDerWaalsContact OG1-N 3.12Å; T9-Q12 PolarHBondContact OG1-OE1 3.34Å; T9-L13 PolarHBondContact O-N 3.21Å; T9-L13 VanDerWaalsContact O-N 3.13Å; T9-R47 HydrophobicContact CG2-CB 3.97Å; T9-R47 HydrophobicContact CG2-CG 3.87Å | ||
| 10 | E | 92 | Very high | 79.6 | Confident | 127 Ų | 127 | 91 Ų | 91 | 59% | 0.593 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.7 | -41.9 | 174 | -74.5 | -69.1 | 165.3 | 0 | 0 | 111.3 | Q12 L13 D14 K24 | E10-Q12 VanDerWaalsContact C-N 3.35Å; E10-Q12 PolarHBondContact O-N 2.9Å; E10-L13 PolarHBondContact O-N 3.14Å; E10-L13 VanDerWaalsContact O-N 3.13Å; E10-D14 VanDerWaalsContact O-CG 3.26Å; E10-D14 PolarHBondContact O-N 3.41Å; E10-K24 IonicContact OE2-NZ 3.68Å; E10-K24 PolarHBondContact OE2-NZ 3.38Å |
| 11 | E | 92.2 | Very high | 80 | Confident | 137 Ų | 137 | 91 Ų | 91 | 64% | 0.64 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.4 | -41.3 | 176.4 | -175.9 | -177.9 | -179.4 | 0 | 0 | 112.6 | T9 D14 N15 | T9-E11 VanDerWaalsContact C-N 3.29Å; T9-E11 PolarHBondContact O-N 3.29Å; E11-D14 PolarHBondContact O-N 3.3Å; E11-N15 WeakPolarHBondContact O-CB 3.15Å; E11-N15 PolarHBondContact O-N 3.31Å; E11-N15 PolarHBondContact O-ND2 3.5Å |
| 12 | Q | 91.8 | Very high | 82.7 | Confident | 23 Ų | 23 | 80.4 Ų | 80.4 | 11% | 0.107 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 174.8 | -76.8 | 172.7 | -39.2 | 0 | 0 | 111.7 | F8 T9 E10 D14 N15 Y16 Y46 S49 | F8-Q12 HydrophobicContact CB-CB 4.08Å; F8-Q12 HydrophobicContact CD1-CB 4.32Å; T9-Q12 PolarHBondContact O-N 3.02Å; T9-Q12 WeakPolarHBondContact OG1-CB 3.4Å; T9-Q12 VanDerWaalsContact OG1-CG 3.29Å; T9-Q12 WeakPolarHBondContact OG1-CG 3.42Å; T9-Q12 PolarHBondContact OG1-N 3.19Å; T9-Q12 VanDerWaalsContact OG1-N 3.12Å; T9-Q12 PolarHBondContact OG1-OE1 3.34Å; E10-Q12 VanDerWaalsContact C-N 3.35Å; E10-Q12 PolarHBondContact O-N 2.9Å; Q12-D14 VanDerWaalsContact C-N 3.34Å; Q12-N15 PolarHBondContact O-N 2.89Å; Q12-Y16 WeakPolarHBondContact O-CD2 3.44Å; Q12-Y16 PolarHBondContact O-N 3.12Å; Q12-Y46 PolarHBondContact NE2-O 3.47Å; Q12-S49 PolarHBondContact NE2-OG 3.28Å |
| 13 | L | 91.9 | Very high | 85 | Confident | 15 Ų | 15 | 80.3 Ų | 80.3 | 8% | 0.079 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.7 | -36.7 | 177.8 | -69.8 | 173.4 | 0 | 0 | 0 | 112.2 | F8 T9 E10 Q17 K24 I27 L28 | F8-L13 HydrophobicContact CB-CD1 4.41Å; F8-L13 HydrophobicContact CB-CD2 3.96Å; F8-L13 HydrophobicContact CB-CG 3.8Å; F8-L13 HydrophobicContact CD2-CD2 3.87Å; F8-L13 HydrophobicContact CG-CD2 4.13Å; F8-L13 HydrophobicContact CG-CG 4.5Å; T9-L13 PolarHBondContact O-N 3.21Å; T9-L13 VanDerWaalsContact O-N 3.13Å; E10-L13 PolarHBondContact O-N 3.14Å; E10-L13 VanDerWaalsContact O-N 3.13Å; L13-Q17 WeakPolarHBondContact O-CB 3.38Å; L13-Q17 PolarHBondContact O-N 3.01Å; L13-K24 HydrophobicContact CB-CD 3.83Å; L13-K24 HydrophobicContact CB-CG 3.99Å; L13-K24 HydrophobicContact CD1-CD 4.22Å; L13-I27 HydrophobicContact CD2-CB 4.43Å; L13-I27 HydrophobicContact CD2-CG2 4.07Å; L13-L28 HydrophobicContact CD2-CD2 4.45Å |
| 14 | D | 92.5 | Very high | 87.2 | Confident | 68 Ų | 68 | 75.6 Ų | 75.6 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.8 | -48 | 173.8 | -68.8 | -25.5 | 0 | 0 | 0 | 110.1 | E10 E11 Q12 Y16 Q17 D18 K24 | E10-D14 VanDerWaalsContact O-CG 3.26Å; E10-D14 PolarHBondContact O-N 3.41Å; E11-D14 PolarHBondContact O-N 3.3Å; Q12-D14 VanDerWaalsContact C-N 3.34Å; D14-Y16 PolarHBondContact O-N 3.01Å; D14-Q17 PolarHBondContact O-N 2.98Å; D14-Q17 VanDerWaalsContact O-N 3.08Å; D14-D18 WeakPolarHBondContact O-CB 3.35Å; D14-D18 PolarHBondContact O-N 3.39Å; D14-K24 WeakPolarHBondContact OD1-CE 3.29Å; D14-K24 IonicContact OD1-NZ 3.41Å; D14-K24 PolarHBondContact OD1-NZ 3.21Å |
| 15 | N | 92.4 | Very high | 89 | Confident | 88 Ų | 88 | 73.8 Ų | 73.8 | 47% | 0.471 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.9 | -44.3 | 177 | -69.5 | -20.7 | 0 | 0 | 0 | 112.6 | E11 Q12 Q17 D18 C19 | E11-N15 WeakPolarHBondContact O-CB 3.15Å; E11-N15 PolarHBondContact O-N 3.31Å; E11-N15 PolarHBondContact O-ND2 3.5Å; Q12-N15 PolarHBondContact O-N 2.89Å; N15-Q17 VanDerWaalsContact C-N 3.32Å; N15-Q17 PolarHBondContact O-N 3.23Å; N15-D18 PolarHBondContact O-N 3.35Å; N15-C19 WeakPolarHBondContact O-CB 3.19Å; N15-C19 PolarHBondContact O-N 3.48Å; N15-C19 PolarHBondContact O-SG 2.72Å; N15-C19 VanDerWaalsContact O-SG 3.39Å |
| 16 | Y | 92.6 | Very high | 90.5 | Very high | 36 Ų | 36 | 68.5 Ų | 68.5 | 14% | 0.141 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 175.2 | -77.9 | -60.8 | 0 | 0 | 0 | 112 | F8 Q12 D14 D18 C19 T20 I27 F88 N89 V92 | F8-Y16 HydrophobicContact CD1-CE2 4.13Å; F8-Y16 AromaticContact CE1-CE2 3.91Å; F8-Y16 HydrophobicContact CE1-CE2 3.91Å; Q12-Y16 WeakPolarHBondContact O-CD2 3.44Å; Q12-Y16 PolarHBondContact O-N 3.12Å; D14-Y16 PolarHBondContact O-N 3.01Å; Y16-D18 VanDerWaalsContact C-N 3.3Å; Y16-D18 PolarHBondContact O-N 3.19Å; Y16-C19 PolarHBondContact O-N 2.88Å; Y16-T20 VanDerWaalsContact O-CB 3.26Å; Y16-T20 WeakPolarHBondContact O-CB 3.37Å; Y16-T20 VanDerWaalsContact O-CG2 3.23Å; Y16-T20 WeakPolarHBondContact O-CG2 3.37Å; Y16-T20 PolarHBondContact O-N 3.47Å; Y16-T20 PolarHBondContact O-OG1 3.06Å; Y16-I27 HydrophobicContact CD2-CG2 3.83Å; Y16-I27 HydrophobicContact CE2-CG2 4.44Å; Y16-I27 HydrophobicContact CG-CD1 4.29Å; Y16-I27 HydrophobicContact CG-CG1 4.48Å; Y16-I27 HydrophobicContact CG-CG2 4.07Å; Y16-F88 HydrophobicContact CE1-CE1 4.33Å; Y16-F88 HydrophobicContact CE2-CE1 4.02Å; Y16-F88 AromaticContact CZ-CD1 3.95Å; Y16-F88 AromaticContact CZ-CE1 3.75Å; Y16-F88 WeakPolarHBondContact OH-CD1 3.3Å; Y16-N89 WeakPolarHBondContact CE1-OD1 3.33Å; Y16-N89 PolarHBondContact OH-OD1 3.38Å; Y16-V92 HydrophobicContact CD1-CG1 4.14Å; Y16-V92 HydrophobicContact CE1-CG1 4.49Å; Y16-V92 HydrophobicContact CE1-CG2 4.44Å |
| 17 | Q | 90.2 | Very high | 91 | Very high | 86 Ų | 86 | 64.5 Ų | 64.5 | 40% | 0.402 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.3 | -31.8 | 179.2 | -176 | 174.4 | -43.8 | 0 | 0 | 112.2 | L13 D14 N15 K24 | L13-Q17 WeakPolarHBondContact O-CB 3.38Å; L13-Q17 PolarHBondContact O-N 3.01Å; D14-Q17 PolarHBondContact O-N 2.98Å; D14-Q17 VanDerWaalsContact O-N 3.08Å; N15-Q17 VanDerWaalsContact C-N 3.32Å; N15-Q17 PolarHBondContact O-N 3.23Å; Q17-K24 VanDerWaalsContact OE1-CG 3.31Å |
| 18 | D | 89.9 | Confident | 91.3 | Very high | 132 Ų | 132 | 66.2 Ų | 66.2 | 71% | 0.706 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -77.1 | -31.5 | 177.9 | -71.5 | -14.3 | 0 | 0 | 0 | 112.4 | D14 N15 Y16 | D14-D18 WeakPolarHBondContact O-CB 3.35Å; D14-D18 PolarHBondContact O-N 3.39Å; N15-D18 PolarHBondContact O-N 3.35Å; Y16-D18 VanDerWaalsContact C-N 3.3Å; Y16-D18 PolarHBondContact O-N 3.19Å |
| 19 | C | 88.9 | Confident | 91.3 | Very high | 106 Ų | 106 | 71.4 Ų | 71.4 | 72% | 0.716 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -93.9 | -9.4 | -177.9 | -66.5 | 0 | 0 | 0 | 0 | 114.5 | N15 Y16 | N15-C19 WeakPolarHBondContact O-CB 3.19Å; N15-C19 PolarHBondContact O-N 3.48Å; N15-C19 PolarHBondContact O-SG 2.72Å; N15-C19 VanDerWaalsContact O-SG 3.39Å; Y16-C19 PolarHBondContact O-N 2.88Å |
| 20 | T | 89 | Confident | 91.4 | Very high | 13 Ų | 13 | 69.2 Ų | 69.2 | 8% | 0.08 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -132 | 169.3 | -173.5 | 75.2 | 0 | 0 | 0 | 0 | 111.7 | Y16 F22 V92 S96 | Y16-T20 VanDerWaalsContact O-CB 3.26Å; Y16-T20 WeakPolarHBondContact O-CB 3.37Å; Y16-T20 VanDerWaalsContact O-CG2 3.23Å; Y16-T20 WeakPolarHBondContact O-CG2 3.37Å; Y16-T20 PolarHBondContact O-N 3.47Å; Y16-T20 PolarHBondContact O-OG1 3.06Å; T20-F22 PolarHBondContact O-N 2.99Å; T20-F22 PolarHBondContact OG1-N 2.96Å; T20-V92 HydrophobicContact CG2-CG1 3.59Å; T20-S96 WeakPolarHBondContact CB-OG 3.26Å |
| 21 | F | 86.7 | Confident | 91.5 | Very high | 91 Ų | 91 | 63.1 Ų | 63.1 | 40% | 0.399 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -82.6 | 11 | 174 | -55.1 | -73.2 | 0 | 0 | 0 | 113.3 | S96 A102 P103 L106 | F21-S96 WeakPolarHBondContact CD2-O 3.33Å; F21-S96 VanDerWaalsContact CD2-OG 3.31Å; F21-S96 WeakPolarHBondContact CD2-OG 3.06Å; F21-S96 PolarHBondContact N-OG 3.31Å; F21-A102 HydrophobicContact CD2-CB 3.98Å; F21-A102 HydrophobicContact CE2-CB 3.82Å; F21-P103 HydrophobicContact CE1-CG 4.36Å; F21-P103 HydrophobicContact CZ-CG 3.95Å; F21-L106 HydrophobicContact CE2-CD2 3.93Å; F21-L106 HydrophobicContact CZ-CD2 4.34Å |
| 22 | F | 90.4 | Very high | 91.5 | Very high | 22 Ų | 22 | 59.1 Ų | 59.1 | 10% | 0.096 | 30% | 0.301 | C | S | . | . | trans | -106.6 | 144 | -172.7 | -64.5 | -45.7 | 0 | 0 | 0 | 112.8 | T20 D26 I27 L30 V92 F95 S96 C99 I187 | T20-F22 PolarHBondContact O-N 2.99Å; T20-F22 PolarHBondContact OG1-N 2.96Å; F22-D26 HydrophobicContact CB-CB 3.95Å; F22-D26 HydrophobicContact CD1-CB 4.02Å; F22-D26 HydrophobicContact CG-CB 4.17Å; F22-I27 HydrophobicContact CB-CD1 3.69Å; F22-I27 HydrophobicContact CB-CG1 4.19Å; F22-I27 HydrophobicContact CD2-CD1 4.12Å; F22-I27 HydrophobicContact CG-CD1 4.38Å; F22-L30 HydrophobicContact CD2-CD1 3.68Å; F22-L30 HydrophobicContact CE2-CD1 3.61Å; F22-L30 HydrophobicContact CG-CD1 4.49Å; F22-L30 HydrophobicContact CZ-CD1 4.39Å; F22-V92 HydrophobicContact CD2-CG1 4.49Å; F22-F95 HydrophobicContact CE2-CB 3.9Å; F22-F95 VanDerWaalsContact CZ-C 3.43Å; F22-F95 HydrophobicContact CZ-CB 3.89Å; F22-F95 VanDerWaalsContact CZ-O 3.3Å; F22-F95 WeakPolarHBondContact CZ-O 3.29Å; F22-S96 VanDerWaalsContact CE2-CA 3.47Å; F22-S96 VanDerWaalsContact CE2-N 3.31Å; F22-C99 HydrophobicContact CE1-CB 4.07Å; F22-C99 HydrophobicContact CZ-CB 4.18Å; F22-I187 HydrophobicContact CZ-CD1 4.39Å | ||
| 23 | N | 91.2 | Very high | 91.6 | Very high | 72 Ų | 72 | 62.8 Ų | 62.8 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | trans | -83.7 | 166.7 | 168.1 | 65.8 | 64.7 | 0 | 0 | 0 | 110.7 | K25 D26 I27 | N23-K25 PolarHBondContact O-N 3.22Å; N23-K25 WeakPolarHBondContact OD1-CA 3.27Å; N23-K25 VanDerWaalsContact OD1-CB 3.23Å; N23-K25 WeakPolarHBondContact OD1-CB 3.48Å; N23-K25 PolarHBondContact OD1-N 3.27Å; N23-D26 VanDerWaalsContact CG-OD2 3.23Å; N23-D26 PolarHBondContact ND2-OD2 2.82Å; N23-D26 PolarHBondContact O-N 3.03Å; N23-D26 PolarHBondContact OD1-N 3.38Å; N23-D26 PolarHBondContact OD1-OD2 3.36Å; N23-I27 PolarHBondContact O-N 3.42Å; N23-I27 VanDerWaalsContact O-N 3.14Å | ||
| 24 | K | 91.7 | Very high | 91.7 | Very high | 54 Ų | 54 | 62 Ų | 62 | 24% | 0.235 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -49.2 | -34.4 | 178.7 | -54.6 | -169 | 171.4 | -178.1 | 0 | 114.6 | E10 L13 D14 Q17 L28 | E10-K24 IonicContact OE2-NZ 3.68Å; E10-K24 PolarHBondContact OE2-NZ 3.38Å; L13-K24 HydrophobicContact CB-CD 3.83Å; L13-K24 HydrophobicContact CB-CG 3.99Å; L13-K24 HydrophobicContact CD1-CD 4.22Å; D14-K24 WeakPolarHBondContact OD1-CE 3.29Å; D14-K24 IonicContact OD1-NZ 3.41Å; D14-K24 PolarHBondContact OD1-NZ 3.21Å; Q17-K24 VanDerWaalsContact OE1-CG 3.31Å; K24-L28 VanDerWaalsContact O-CG 3.27Å; K24-L28 WeakPolarHBondContact O-CG 3.2Å; K24-L28 PolarHBondContact O-N 2.96Å; K24-L28 VanDerWaalsContact O-N 3.13Å |
| 25 | K | 91.3 | Very high | 91.8 | Very high | 157 Ų | 157 | 62.2 Ų | 62.2 | 68% | 0.683 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -70.7 | -37.9 | 179.5 | -61.2 | 179 | 179.4 | 173 | 0 | 111.6 | N23 L28 K29 | N23-K25 PolarHBondContact O-N 3.22Å; N23-K25 WeakPolarHBondContact OD1-CA 3.27Å; N23-K25 VanDerWaalsContact OD1-CB 3.23Å; N23-K25 WeakPolarHBondContact OD1-CB 3.48Å; N23-K25 PolarHBondContact OD1-N 3.27Å; K25-L28 PolarHBondContact O-N 3Å; K25-K29 WeakPolarHBondContact O-CG 3.42Å; K25-K29 PolarHBondContact O-N 2.68Å |
| 26 | D | 91.6 | Very high | 91.8 | Very high | 42 Ų | 42 | 63 Ų | 63 | 23% | 0.225 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.1 | -37.7 | 179.4 | -60.9 | -37.7 | 0 | 0 | 0 | 110.6 | F22 N23 L28 K29 L30 | F22-D26 HydrophobicContact CB-CB 3.95Å; F22-D26 HydrophobicContact CD1-CB 4.02Å; F22-D26 HydrophobicContact CG-CB 4.17Å; N23-D26 VanDerWaalsContact CG-OD2 3.23Å; N23-D26 PolarHBondContact ND2-OD2 2.82Å; N23-D26 PolarHBondContact O-N 3.03Å; N23-D26 PolarHBondContact OD1-N 3.38Å; N23-D26 PolarHBondContact OD1-OD2 3.36Å; D26-L28 VanDerWaalsContact C-N 3.33Å; D26-L28 PolarHBondContact O-N 3.37Å; D26-K29 WeakPolarHBondContact O-CB 3.43Å; D26-K29 PolarHBondContact O-N 3.06Å; D26-K29 VanDerWaalsContact O-N 3.16Å; D26-K29 IonicContact OD1-NZ 2.73Å; D26-K29 PolarHBondContact OD1-NZ 2.99Å; D26-L30 WeakPolarHBondContact O-CG 3.47Å; D26-L30 PolarHBondContact O-N 2.98Å |
| 27 | I | 93.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.3 | -43.4 | 170.2 | -57.9 | -57.9 | 0 | 0 | 0 | 111.9 | F8 L13 Y16 F22 N23 K29 L30 H31 F88 V92 | F8-I27 HydrophobicContact CE2-CG2 4.39Å; L13-I27 HydrophobicContact CD2-CB 4.43Å; L13-I27 HydrophobicContact CD2-CG2 4.07Å; Y16-I27 HydrophobicContact CD2-CG2 3.83Å; Y16-I27 HydrophobicContact CE2-CG2 4.44Å; Y16-I27 HydrophobicContact CG-CD1 4.29Å; Y16-I27 HydrophobicContact CG-CG1 4.48Å; Y16-I27 HydrophobicContact CG-CG2 4.07Å; F22-I27 HydrophobicContact CB-CD1 3.69Å; F22-I27 HydrophobicContact CB-CG1 4.19Å; F22-I27 HydrophobicContact CD2-CD1 4.12Å; F22-I27 HydrophobicContact CG-CD1 4.38Å; N23-I27 PolarHBondContact O-N 3.42Å; N23-I27 VanDerWaalsContact O-N 3.14Å; I27-K29 PolarHBondContact O-N 3.44Å; I27-L30 HydrophobicContact CD1-CD1 4.43Å; I27-L30 PolarHBondContact O-N 3.37Å; I27-H31 PolarHBondContact O-N 3.01Å; I27-F88 HydrophobicContact CG2-CE1 4.44Å; I27-F88 HydrophobicContact CG2-CZ 4.28Å; I27-V92 HydrophobicContact CD1-CG1 3.91Å |
| 28 | L | 93.3 | Very high | 92 | Very high | 65 Ų | 65 | 59.2 Ų | 59.2 | 34% | 0.34 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 176.6 | -68.9 | 170.3 | 0 | 0 | 0 | 112.7 | I7 F8 L13 K24 K25 D26 H31 S32 | I7-L28 HydrophobicContact CB-CD2 4.3Å; I7-L28 HydrophobicContact CD1-CD2 4.07Å; F8-L28 HydrophobicContact CD2-CD2 3.98Å; F8-L28 HydrophobicContact CE2-CD2 4.35Å; L13-L28 HydrophobicContact CD2-CD2 4.45Å; K24-L28 VanDerWaalsContact O-CG 3.27Å; K24-L28 WeakPolarHBondContact O-CG 3.2Å; K24-L28 PolarHBondContact O-N 2.96Å; K24-L28 VanDerWaalsContact O-N 3.13Å; K25-L28 PolarHBondContact O-N 3Å; D26-L28 VanDerWaalsContact C-N 3.33Å; D26-L28 PolarHBondContact O-N 3.37Å; L28-H31 PolarHBondContact O-N 3.08Å; L28-S32 PolarHBondContact O-N 3.02Å |
| 29 | K | 92.5 | Very high | 92.1 | Very high | 116 Ų | 116 | 55.7 Ų | 55.7 | 50% | 0.504 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 173.3 | -70.4 | 172.7 | -168.1 | 159.2 | 0 | 111.1 | K25 D26 I27 H31 S32 R33 | K25-K29 WeakPolarHBondContact O-CG 3.42Å; K25-K29 PolarHBondContact O-N 2.68Å; D26-K29 WeakPolarHBondContact O-CB 3.43Å; D26-K29 PolarHBondContact O-N 3.06Å; D26-K29 VanDerWaalsContact O-N 3.16Å; D26-K29 IonicContact OD1-NZ 2.73Å; D26-K29 PolarHBondContact OD1-NZ 2.99Å; I27-K29 PolarHBondContact O-N 3.44Å; K29-H31 VanDerWaalsContact C-N 3.3Å; K29-H31 PolarHBondContact O-N 3.48Å; K29-S32 WeakPolarHBondContact O-CB 3.5Å; K29-S32 PolarHBondContact O-N 2.8Å; K29-R33 WeakPolarHBondContact O-CG 3.5Å; K29-R33 PolarHBondContact O-N 3.25Å |
| 30 | L | 93.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 176.3 | -75.9 | 172.4 | 0 | 0 | 0 | 111.1 | F22 D26 I27 R33 F34 F88 F91 V92 F95 I187 | F22-L30 HydrophobicContact CD2-CD1 3.68Å; F22-L30 HydrophobicContact CE2-CD1 3.61Å; F22-L30 HydrophobicContact CG-CD1 4.49Å; F22-L30 HydrophobicContact CZ-CD1 4.39Å; D26-L30 WeakPolarHBondContact O-CG 3.47Å; D26-L30 PolarHBondContact O-N 2.98Å; I27-L30 HydrophobicContact CD1-CD1 4.43Å; I27-L30 PolarHBondContact O-N 3.37Å; L30-R33 WeakPolarHBondContact O-CB 3.29Å; L30-R33 PolarHBondContact O-N 3.4Å; L30-F34 WeakPolarHBondContact O-CB 3.31Å; L30-F34 PolarHBondContact O-N 2.84Å; L30-F88 HydrophobicContact CB-CE2 4.17Å; L30-F88 HydrophobicContact CB-CZ 4.4Å; L30-F91 HydrophobicContact CB-CE1 4.49Å; L30-F91 HydrophobicContact CD2-CD1 4.28Å; L30-F91 HydrophobicContact CD2-CE1 3.93Å; L30-V92 HydrophobicContact CB-CG2 4.49Å; L30-V92 HydrophobicContact CD1-CB 4.48Å; L30-V92 HydrophobicContact CD1-CG1 4.43Å; L30-V92 HydrophobicContact CD1-CG2 4.03Å; L30-F95 HydrophobicContact CD1-CB 4.48Å; L30-F95 HydrophobicContact CD2-CB 3.96Å; L30-F95 HydrophobicContact CD2-CD2 3.54Å; L30-F95 HydrophobicContact CD2-CE2 4.25Å; L30-F95 HydrophobicContact CD2-CG 3.84Å; L30-I187 HydrophobicContact CD2-CD1 3.58Å; L30-I187 HydrophobicContact CG-CD1 4.5Å |
| 31 | H | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 175.5 | 177.3 | -85.5 | 0 | 0 | 0 | 112.1 | I7 F8 I27 L28 K29 R33 F34 Y35 P43 Y46 F88 | I7-H31 VanDerWaalsContact CG2-CE1 3.46Å; I7-H31 WeakPolarHBondContact CG2-CE1 3.02Å; F8-H31 HydrophobicContact CE2-CB 3.78Å; F8-H31 AromaticContact CE2-CG 3.93Å; F8-H31 HydrophobicContact CZ-CB 3.98Å; F8-H31 AromaticContact CZ-CD2 3.69Å; F8-H31 AromaticContact CZ-CG 3.97Å; I27-H31 PolarHBondContact O-N 3.01Å; L28-H31 PolarHBondContact O-N 3.08Å; K29-H31 VanDerWaalsContact C-N 3.3Å; K29-H31 PolarHBondContact O-N 3.48Å; H31-R33 VanDerWaalsContact C-N 3.26Å; H31-R33 PolarHBondContact O-N 2.96Å; H31-F34 PolarHBondContact O-N 3.25Å; H31-Y35 WeakPolarHBondContact O-CB 3.39Å; H31-Y35 PolarHBondContact O-N 2.87Å; H31-P43 PolarHBondContact CE1-O 3.16Å; H31-P43 PolarHBondContact NE2-O 3.38Å; H31-P43 VanDerWaalsContact NE2-O 3.12Å; H31-Y46 AromaticContact CD2-CD2 3.62Å; H31-Y46 AromaticContact CD2-CE2 3.62Å; H31-Y46 AromaticContact NE2-CD2 3.16Å; H31-Y46 WeakPolarHBondContact NE2-CD2 3.31Å; H31-Y46 AromaticContact NE2-CE2 3.18Å; H31-Y46 WeakPolarHBondContact NE2-CE2 3.42Å; H31-F88 HydrophobicContact CB-CE2 3.76Å; H31-F88 HydrophobicContact CB-CZ 3.75Å |
| 32 | S | 93.4 | Very high | 92.7 | Very high | 52 Ų | 52 | 58.1 Ų | 58.1 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57 | -42.4 | 175 | -167.9 | 0 | 0 | 0 | 0 | 111.5 | L28 K29 Y35 E36 | L28-S32 PolarHBondContact O-N 3.02Å; K29-S32 WeakPolarHBondContact O-CB 3.5Å; K29-S32 PolarHBondContact O-N 2.8Å; S32-Y35 PolarHBondContact O-N 2.94Å; S32-E36 VanDerWaalsContact O-CG 3.28Å; S32-E36 WeakPolarHBondContact O-CG 3.33Å; S32-E36 PolarHBondContact O-N 2.9Å |
| 33 | R | 92.3 | Very high | 92.8 | Very high | 100 Ų | 100 | 59.1 Ų | 59.1 | 38% | 0.377 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.1 | -47.2 | 175.2 | -70.4 | -56.5 | -162.4 | -172.7 | 6.5 | 112.3 | K29 L30 H31 Y35 E36 L37 F91 | K29-R33 WeakPolarHBondContact O-CG 3.5Å; K29-R33 PolarHBondContact O-N 3.25Å; L30-R33 WeakPolarHBondContact O-CB 3.29Å; L30-R33 PolarHBondContact O-N 3.4Å; H31-R33 VanDerWaalsContact C-N 3.26Å; H31-R33 PolarHBondContact O-N 2.96Å; R33-Y35 PolarHBondContact O-N 2.95Å; R33-E36 WeakPolarHBondContact CD-OE2 3.32Å; R33-E36 IonicContact CZ-OE2 3.3Å; R33-E36 IonicContact NH1-OE2 2.84Å; R33-E36 PolarHBondContact NH1-OE2 3.23Å; R33-E36 WeakPolarHBondContact O-CB 3.41Å; R33-E36 PolarHBondContact O-N 3.49Å; R33-E36 VanDerWaalsContact O-N 3.09Å; R33-L37 WeakPolarHBondContact O-CG 2.94Å; R33-L37 PolarHBondContact O-N 2.81Å; R33-F91 HydrophobicContact CB-CE1 4.42Å; R33-F91 HydrophobicContact CB-CZ 4.41Å |
| 34 | F | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.1 | -39.7 | 178.2 | -163.9 | -111.6 | 0 | 0 | 0 | 111.2 | L30 H31 L37 A38 V42 V54 L86 F88 F91 | L30-F34 WeakPolarHBondContact O-CB 3.31Å; L30-F34 PolarHBondContact O-N 2.84Å; H31-F34 PolarHBondContact O-N 3.25Å; F34-L37 PolarHBondContact O-N 3.2Å; F34-A38 PolarHBondContact O-N 2.75Å; F34-V42 HydrophobicContact CD1-CB 4.33Å; F34-V42 HydrophobicContact CD1-CG1 3.73Å; F34-V42 HydrophobicContact CD1-CG2 3.56Å; F34-V42 HydrophobicContact CE1-CG1 4.35Å; F34-V42 HydrophobicContact CE1-CG2 3.63Å; F34-V42 HydrophobicContact CG-CG2 4.41Å; F34-V54 HydrophobicContact CD1-CG2 4.29Å; F34-V54 HydrophobicContact CD2-CG2 4.19Å; F34-V54 HydrophobicContact CE1-CG2 3.64Å; F34-V54 HydrophobicContact CE2-CB 3.76Å; F34-V54 HydrophobicContact CE2-CG2 3.54Å; F34-V54 HydrophobicContact CZ-CB 3.79Å; F34-V54 HydrophobicContact CZ-CG2 3.23Å; F34-L86 WeakPolarHBondContact CZ-O 3.49Å; F34-F88 HydrophobicContact CB-CD2 3.91Å; F34-F88 HydrophobicContact CB-CE2 4.3Å; F34-F88 HydrophobicContact CD1-CB 4Å; F34-F88 AromaticContact CD1-CD2 3.85Å; F34-F88 HydrophobicContact CD1-CD2 3.85Å; F34-F88 HydrophobicContact CD1-CG 4.36Å; F34-F88 HydrophobicContact CE1-CB 3.84Å; F34-F88 AromaticContact CG-CD2 3.86Å; F34-F88 HydrophobicContact CG-CD2 3.86Å; F34-F88 HydrophobicContact CZ-CB 4.33Å; F34-F91 HydrophobicContact CB-CD1 4.22Å; F34-F91 HydrophobicContact CB-CE1 4.13Å; F34-F91 HydrophobicContact CD2-CB 3.87Å; F34-F91 AromaticContact CD2-CD1 3.86Å; F34-F91 HydrophobicContact CD2-CD1 3.86Å; F34-F91 AromaticContact CD2-CD2 3.73Å; F34-F91 HydrophobicContact CD2-CD2 3.73Å; F34-F91 HydrophobicContact CD2-CE1 4.22Å; F34-F91 HydrophobicContact CD2-CE2 4.09Å; F34-F91 AromaticContact CD2-CG 3.56Å; F34-F91 HydrophobicContact CD2-CG 3.56Å; F34-F91 HydrophobicContact CD2-CZ 4.31Å; F34-F91 HydrophobicContact CE2-CB 3.89Å; F34-F91 HydrophobicContact CE2-CD2 4.09Å; F34-F91 HydrophobicContact CE2-CG 4.02Å; F34-F91 HydrophobicContact CG-CD1 4.39Å; F34-F91 HydrophobicContact CG-CG 4.49Å |
| 35 | Y | 94.3 | Very high | 92.7 | Very high | 71 Ų | 71 | 59.4 Ų | 59.4 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 172.1 | 180 | -95.2 | 0 | 0 | 0 | 113 | H31 S32 R33 L37 A38 P39 V42 M44 | H31-Y35 WeakPolarHBondContact O-CB 3.39Å; H31-Y35 PolarHBondContact O-N 2.87Å; S32-Y35 PolarHBondContact O-N 2.94Å; R33-Y35 PolarHBondContact O-N 2.95Å; Y35-L37 PolarHBondContact O-N 3.09Å; Y35-A38 CarbonylContact O-C 3.22Å; Y35-A38 PolarHBondContact O-N 3.02Å; Y35-P39 HydrophobicContact CD1-CB 4.5Å; Y35-P39 HydrophobicContact CE1-CB 3.92Å; Y35-P39 HydrophobicContact CE1-CG 4.44Å; Y35-P39 HydrophobicContact CE2-CB 4.3Å; Y35-P39 VanDerWaalsContact O-CA 3.29Å; Y35-P39 WeakPolarHBondContact O-CA 3.32Å; Y35-P39 VanDerWaalsContact O-CD 3.23Å; Y35-P39 WeakPolarHBondContact O-CD 3.24Å; Y35-P39 VanDerWaalsContact O-CG 3.32Å; Y35-P39 WeakPolarHBondContact O-CG 3.42Å; Y35-V42 HydrophobicContact CD2-CB 4.12Å; Y35-V42 HydrophobicContact CD2-CG1 4.1Å; Y35-V42 WeakPolarHBondContact CD2-O 3.43Å; Y35-V42 WeakPolarHBondContact CE2-O 3.34Å; Y35-M44 HydrophobicContact CD1-CE 3.11Å; Y35-M44 HydrophobicContact CD2-CE 3.31Å; Y35-M44 HydrophobicContact CD2-CG 4.32Å; Y35-M44 HydrophobicContact CE1-CE 3.35Å; Y35-M44 HydrophobicContact CE2-CE 3.56Å; Y35-M44 HydrophobicContact CE2-CG 3.98Å; Y35-M44 HydrophobicContact CG-CE 3.08Å |
| 36 | E | 93.4 | Very high | 92.8 | Very high | 105 Ų | 105 | 52.2 Ų | 52.2 | 49% | 0.491 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.4 | -32.1 | 178.1 | -77.8 | 168.5 | -168 | 0 | 0 | 112.5 | S32 R33 | S32-E36 VanDerWaalsContact O-CG 3.28Å; S32-E36 WeakPolarHBondContact O-CG 3.33Å; S32-E36 PolarHBondContact O-N 2.9Å; R33-E36 WeakPolarHBondContact CD-OE2 3.32Å; R33-E36 IonicContact CZ-OE2 3.3Å; R33-E36 IonicContact NH1-OE2 2.84Å; R33-E36 PolarHBondContact NH1-OE2 3.23Å; R33-E36 WeakPolarHBondContact O-CB 3.41Å; R33-E36 PolarHBondContact O-N 3.49Å; R33-E36 VanDerWaalsContact O-N 3.09Å |
| 37 | L | 93.2 | Very high | 92.7 | Very high | 37 Ų | 37 | 56.4 Ų | 56.4 | 19% | 0.194 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.4 | -43.6 | 176.2 | -67.9 | 171.6 | 0 | 0 | 0 | 112.6 | R33 F34 Y35 V54 I59 M62 F91 | R33-L37 WeakPolarHBondContact O-CG 2.94Å; R33-L37 PolarHBondContact O-N 2.81Å; F34-L37 PolarHBondContact O-N 3.2Å; Y35-L37 PolarHBondContact O-N 3.09Å; L37-V54 HydrophobicContact CB-CG1 4.25Å; L37-I59 HydrophobicContact CD1-CG1 4.34Å; L37-M62 HydrophobicContact CD1-CG 4.1Å; L37-M62 HydrophobicContact CD1-SD 3.67Å; L37-M62 HydrophobicContact CD2-CG 3.56Å; L37-M62 HydrophobicContact CD2-SD 4.27Å; L37-M62 HydrophobicContact CG-CG 4.36Å; L37-M62 HydrophobicContact CG-SD 4.47Å; L37-F91 HydrophobicContact CD1-CE2 3.85Å; L37-F91 HydrophobicContact CD1-CZ 4.09Å |
| 38 | A | 93.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 65.4 Ų | 65.4 | 5% | 0.05 | 32% | 0.317 | C | S | . | . | trans | -140.6 | 72.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F34 Y35 N40 L41 V42 V54 L58 | F34-A38 PolarHBondContact O-N 2.75Å; Y35-A38 CarbonylContact O-C 3.22Å; Y35-A38 PolarHBondContact O-N 3.02Å; A38-N40 PolarHBondContact O-N 3.22Å; A38-L41 HydrophobicContact CB-CB 4Å; A38-L41 HydrophobicContact CB-CD1 4.07Å; A38-L41 HydrophobicContact CB-CG 4.25Å; A38-L41 PolarHBondContact O-N 3.23Å; A38-V42 HydrophobicContact CB-CG2 4.24Å; A38-V42 PolarHBondContact O-N 2.96Å; A38-V54 HydrophobicContact CB-CG1 4.27Å; A38-V54 HydrophobicContact CB-CG2 4.01Å; A38-L58 HydrophobicContact CB-CD1 4.03Å | ||
| 39 | P | 92.3 | Very high | 92.3 | Very high | 58 Ų | 58 | 66 Ų | 66 | 38% | 0.377 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.1 | -174.7 | -24.7 | 33.8 | 0 | 0 | 0 | 114.4 | Y35 | Y35-P39 HydrophobicContact CD1-CB 4.5Å; Y35-P39 HydrophobicContact CE1-CB 3.92Å; Y35-P39 HydrophobicContact CE1-CG 4.44Å; Y35-P39 HydrophobicContact CE2-CB 4.3Å; Y35-P39 VanDerWaalsContact O-CA 3.29Å; Y35-P39 WeakPolarHBondContact O-CA 3.32Å; Y35-P39 VanDerWaalsContact O-CD 3.23Å; Y35-P39 WeakPolarHBondContact O-CD 3.24Å; Y35-P39 VanDerWaalsContact O-CG 3.32Å; Y35-P39 WeakPolarHBondContact O-CG 3.42Å |
| 40 | N | 91.7 | Very high | 92.2 | Very high | 163 Ų | 163 | 62.5 Ų | 62.5 | 87% | 0.872 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -16.1 | 179.1 | -62.6 | -37.1 | 0 | 0 | 0 | 113.3 | A38 | A38-N40 PolarHBondContact O-N 3.22Š|
| 41 | L | 92.2 | Very high | 92 | Very high | 94 Ų | 94 | 68.8 Ų | 68.8 | 49% | 0.492 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -42.6 | -178.3 | -62 | 178.8 | 0 | 0 | 0 | 111.2 | A38 P43 V52 | A38-L41 HydrophobicContact CB-CB 4Å; A38-L41 HydrophobicContact CB-CD1 4.07Å; A38-L41 HydrophobicContact CB-CG 4.25Å; A38-L41 PolarHBondContact O-N 3.23Å; L41-P43 WeakPolarHBondContact O-CD 3.46Å; L41-V52 HydrophobicContact CB-CG1 3.92Å; L41-V52 WeakPolarHBondContact O-CG1 3.3Å |
| 42 | V | 93.1 | Very high | 92 | Very high | 3 Ų | 3 | 69.9 Ų | 69.9 | 2% | 0.018 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -84.9 | 119.9 | -173.5 | 177.8 | 0 | 0 | 0 | 0 | 109.6 | F34 Y35 A38 Y46 V52 V54 | F34-V42 HydrophobicContact CD1-CB 4.33Å; F34-V42 HydrophobicContact CD1-CG1 3.73Å; F34-V42 HydrophobicContact CD1-CG2 3.56Å; F34-V42 HydrophobicContact CE1-CG1 4.35Å; F34-V42 HydrophobicContact CE1-CG2 3.63Å; F34-V42 HydrophobicContact CG-CG2 4.41Å; Y35-V42 HydrophobicContact CD2-CB 4.12Å; Y35-V42 HydrophobicContact CD2-CG1 4.1Å; Y35-V42 WeakPolarHBondContact CD2-O 3.43Å; Y35-V42 WeakPolarHBondContact CE2-O 3.34Å; A38-V42 HydrophobicContact CB-CG2 4.24Å; A38-V42 PolarHBondContact O-N 2.96Å; V42-Y46 HydrophobicContact CG1-CE2 3.87Å; V42-V52 HydrophobicContact CG2-CG1 4.09Å; V42-V54 HydrophobicContact CG2-CG2 3.64Å |
| 43 | P | 91.4 | Very high | 92 | Very high | 43 Ų | 43 | 71.3 Ų | 71.3 | 28% | 0.279 | 36% | 0.356 | S | S | . | . | trans | -77 | 150.6 | 176.6 | 29 | -33.2 | 0 | 0 | 0 | 111.7 | H31 L41 D45 Y46 P50 V52 | H31-P43 PolarHBondContact CE1-O 3.16Å; H31-P43 PolarHBondContact NE2-O 3.38Å; H31-P43 VanDerWaalsContact NE2-O 3.12Å; L41-P43 WeakPolarHBondContact O-CD 3.46Å; P43-D45 PolarHBondContact O-N 3.05Å; P43-Y46 HydrophobicContact CG-CD2 4.02Å; P43-Y46 HydrophobicContact CG-CE2 3.68Å; P43-Y46 VanDerWaalsContact O-CD2 3.28Å; P43-Y46 WeakPolarHBondContact O-CD2 3.2Å; P43-Y46 WeakPolarHBondContact O-CE2 3.39Å; P43-P50 HydrophobicContact CG-CB 4.11Å; P43-P50 HydrophobicContact CG-CG 3.51Å; P43-V52 HydrophobicContact CG-CG2 4.44Å | ||
| 44 | M | 90.3 | Very high | 92.1 | Very high | 70 Ų | 70 | 66.6 Ų | 66.6 | 35% | 0.345 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -72.2 | -16.8 | 169.6 | -80.7 | -80.5 | 141.3 | 0 | 0 | 113.3 | I7 Y35 | I7-M44 WeakPolarHBondContact CA-O 3.2Å; I7-M44 WeakPolarHBondContact CG2-O 3.38Å; Y35-M44 HydrophobicContact CD1-CE 3.11Å; Y35-M44 HydrophobicContact CD2-CE 3.31Å; Y35-M44 HydrophobicContact CD2-CG 4.32Å; Y35-M44 HydrophobicContact CE1-CE 3.35Å; Y35-M44 HydrophobicContact CE2-CE 3.56Å; Y35-M44 HydrophobicContact CE2-CG 3.98Å; Y35-M44 HydrophobicContact CG-CE 3.08Å |
| 45 | D | 91.7 | Very high | 92.1 | Very high | 63 Ų | 63 | 68.5 Ų | 68.5 | 34% | 0.337 | 35% | 0.351 | S | S | . | . | trans | -115 | 108.7 | -179.4 | -176.2 | 1.7 | 0 | 0 | 0 | 109.9 | P43 R47 | P43-D45 PolarHBondContact O-N 3.05Å; D45-R47 VanDerWaalsContact OD1-CB 3.26Å; D45-R47 WeakPolarHBondContact OD1-CB 3.29Å; D45-R47 VanDerWaalsContact OD1-CG 3.25Å; D45-R47 WeakPolarHBondContact OD1-CG 3.45Å; D45-R47 IonicContact OD1-CZ 3.87Å; D45-R47 PolarHBondContact OD1-N 2.94Å; D45-R47 IonicContact OD1-NE 3.84Å; D45-R47 PolarHBondContact OD1-NE 3.38Å; D45-R47 IonicContact OD1-NH2 3.76Å; D45-R47 IonicContact OD2-CZ 2.86Å; D45-R47 IonicContact OD2-NE 2.72Å; D45-R47 PolarHBondContact OD2-NE 3.03Å; D45-R47 IonicContact OD2-NH2 2.69Å; D45-R47 PolarHBondContact OD2-NH2 2.83Å | ||
| 46 | Y | 92.6 | Very high | 92.1 | Very high | 6 Ų | 6 | 66.9 Ų | 66.9 | 2% | 0.024 | 35% | 0.346 | C | S | . | . | trans | -102.2 | 6 | 178.1 | -94.4 | -111.7 | 0 | 0 | 0 | 113 | I7 F8 Q12 H31 V42 P43 K48 S49 P50 F88 | I7-Y46 CarbonylContact O-C 3.56Å; I7-Y46 WeakPolarHBondContact O-CA 3.48Å; I7-Y46 PolarHBondContact O-N 2.76Å; F8-Y46 HydrophobicContact CD1-CG 4.46Å; F8-Y46 AromaticContact CE1-CD1 3.82Å; F8-Y46 HydrophobicContact CE1-CD1 3.82Å; F8-Y46 AromaticContact CE1-CG 3.72Å; F8-Y46 HydrophobicContact CE1-CG 3.72Å; F8-Y46 HydrophobicContact CZ-CD1 4.36Å; F8-Y46 HydrophobicContact CZ-CG 4.14Å; Q12-Y46 PolarHBondContact NE2-O 3.47Å; H31-Y46 AromaticContact CD2-CD2 3.62Å; H31-Y46 AromaticContact CD2-CE2 3.62Å; H31-Y46 AromaticContact NE2-CD2 3.16Å; H31-Y46 WeakPolarHBondContact NE2-CD2 3.31Å; H31-Y46 AromaticContact NE2-CE2 3.18Å; H31-Y46 WeakPolarHBondContact NE2-CE2 3.42Å; V42-Y46 HydrophobicContact CG1-CE2 3.87Å; P43-Y46 HydrophobicContact CG-CD2 4.02Å; P43-Y46 HydrophobicContact CG-CE2 3.68Å; P43-Y46 VanDerWaalsContact O-CD2 3.28Å; P43-Y46 WeakPolarHBondContact O-CD2 3.2Å; P43-Y46 WeakPolarHBondContact O-CE2 3.39Å; Y46-K48 PolarHBondContact O-N 3.09Å; Y46-S49 WeakPolarHBondContact O-CA 3.29Å; Y46-S49 PolarHBondContact O-N 3.01Å; Y46-P50 HydrophobicContact CD1-CG 4Å; Y46-P50 HydrophobicContact CD2-CG 4.14Å; Y46-P50 HydrophobicContact CE1-CG 4.12Å; Y46-P50 HydrophobicContact CE2-CG 4.26Å; Y46-P50 HydrophobicContact CG-CG 4.02Å; Y46-F88 HydrophobicContact CD1-CD1 4.37Å; Y46-F88 HydrophobicContact CE1-CB 3.67Å; Y46-F88 HydrophobicContact CE1-CD1 4.17Å; Y46-F88 HydrophobicContact CE1-CG 4.06Å | ||
| 47 | R | 90.1 | Very high | 92.1 | Very high | 129 Ų | 129 | 65 Ų | 65 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20.4 | -178.4 | -64 | 175.8 | -64.9 | 171.6 | 0.5 | 114.1 | I7 T9 D45 | I7-R47 PolarHBondContact O-N 3.23Å; T9-R47 HydrophobicContact CG2-CB 3.97Å; T9-R47 HydrophobicContact CG2-CG 3.87Å; D45-R47 VanDerWaalsContact OD1-CB 3.26Å; D45-R47 WeakPolarHBondContact OD1-CB 3.29Å; D45-R47 VanDerWaalsContact OD1-CG 3.25Å; D45-R47 WeakPolarHBondContact OD1-CG 3.45Å; D45-R47 IonicContact OD1-CZ 3.87Å; D45-R47 PolarHBondContact OD1-N 2.94Å; D45-R47 IonicContact OD1-NE 3.84Å; D45-R47 PolarHBondContact OD1-NE 3.38Å; D45-R47 IonicContact OD1-NH2 3.76Å; D45-R47 IonicContact OD2-CZ 2.86Å; D45-R47 IonicContact OD2-NE 2.72Å; D45-R47 PolarHBondContact OD2-NE 3.03Å; D45-R47 IonicContact OD2-NH2 2.69Å; D45-R47 PolarHBondContact OD2-NH2 2.83Å |
| 48 | K | 90.1 | Very high | 92.2 | Very high | 189 Ų | 189 | 65.9 Ų | 65.9 | 82% | 0.822 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 8.6 | 173.7 | -65.8 | -172.4 | 177.9 | -178.8 | 0 | 113.5 | Y46 | Y46-K48 PolarHBondContact O-N 3.09Š|
| 49 | S | 87.6 | Confident | 92.2 | Very high | 79 Ų | 79 | 65.6 Ų | 65.6 | 55% | 0.552 | 35% | 0.347 | S | S | * | . | trans | 46.7 | 57.9 | -175.2 | -57.3 | 0 | 0 | 0 | 0 | 112.9 | Q12 Y46 I51 | Q12-S49 PolarHBondContact NE2-OG 3.28Å; Y46-S49 WeakPolarHBondContact O-CA 3.29Å; Y46-S49 PolarHBondContact O-N 3.01Å; S49-I51 PolarHBondContact O-N 3.18Å | ||
| 50 | P | 90.3 | Very high | 92.2 | Very high | 41 Ų | 41 | 64.1 Ų | 64.1 | 27% | 0.266 | 34% | 0.336 | S | S | . | . | trans | -65 | 134.8 | 178.4 | 29.8 | -33.3 | 0 | 0 | 0 | 110.1 | P43 Y46 V52 | P43-P50 HydrophobicContact CG-CB 4.11Å; P43-P50 HydrophobicContact CG-CG 3.51Å; Y46-P50 HydrophobicContact CD1-CG 4Å; Y46-P50 HydrophobicContact CD2-CG 4.14Å; Y46-P50 HydrophobicContact CE1-CG 4.12Å; Y46-P50 HydrophobicContact CE2-CG 4.26Å; Y46-P50 HydrophobicContact CG-CG 4.02Å; P50-V52 HydrophobicContact CB-CG2 4.34Å | ||
| 51 | I | 90.1 | Very high | 92.3 | Very high | 136 Ų | 136 | 62.6 Ų | 62.6 | 70% | 0.697 | 32% | 0.323 | S | S | * | . | trans | -89.1 | 111.3 | 172.4 | -56.5 | 175.8 | 0 | 0 | 0 | 107.4 | S49 T87 | S49-I51 PolarHBondContact O-N 3.18Å; I51-T87 HydrophobicContact CG2-CG2 4.09Å | ||
| 52 | V | 92.8 | Very high | 92.3 | Very high | 22 Ų | 22 | 58.4 Ų | 58.4 | 13% | 0.133 | 30% | 0.301 | C | S | . | . | trans | -126.3 | 125.4 | 179.3 | 179.4 | 0 | 0 | 0 | 0 | 108 | L41 V42 P43 P50 T87 | L41-V52 HydrophobicContact CB-CG1 3.92Å; L41-V52 WeakPolarHBondContact O-CG1 3.3Å; V42-V52 HydrophobicContact CG2-CG1 4.09Å; P43-V52 HydrophobicContact CG-CG2 4.44Å; P50-V52 HydrophobicContact CB-CG2 4.34Å; V52-T87 WeakPolarHBondContact O-CA 3.41Å | ||
| 53 | H | 94 | Very high | 92.2 | Very high | 83 Ų | 83 | 62.7 Ų | 62.7 | 38% | 0.384 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -97.1 | 120.3 | 176 | -63.3 | 83.3 | 0 | 0 | 0 | 108.7 | D81 N85 | H53-D81 IonicContact CD2-OD2 3.73Å; H53-N85 HydrophobicContact CB-CB 3.89Å |
| 54 | V | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -93.5 | 126.5 | 171.6 | 174.1 | 0 | 0 | 0 | 0 | 108.1 | F34 L37 A38 V42 L58 I59 N85 L86 | F34-V54 HydrophobicContact CD1-CG2 4.29Å; F34-V54 HydrophobicContact CD2-CG2 4.19Å; F34-V54 HydrophobicContact CE1-CG2 3.64Å; F34-V54 HydrophobicContact CE2-CB 3.76Å; F34-V54 HydrophobicContact CE2-CG2 3.54Å; F34-V54 HydrophobicContact CZ-CB 3.79Å; F34-V54 HydrophobicContact CZ-CG2 3.23Å; L37-V54 HydrophobicContact CB-CG1 4.25Å; A38-V54 HydrophobicContact CB-CG1 4.27Å; A38-V54 HydrophobicContact CB-CG2 4.01Å; V42-V54 HydrophobicContact CG2-CG2 3.64Å; V54-L58 HydrophobicContact CG1-CB 4.12Å; V54-L58 HydrophobicContact CG1-CD1 4.22Å; V54-I59 HydrophobicContact CB-CD1 4.35Å; V54-I59 HydrophobicContact CG1-CD1 4.23Å; V54-I59 HydrophobicContact CG1-CG1 3.88Å; V54-I59 WeakPolarHBondContact O-CD1 3.23Å; V54-N85 WeakPolarHBondContact O-CA 3.3Å; V54-N85 WeakPolarHBondContact O-CB 3.24Å; V54-L86 PolarHBondContact N-O 2.79Å; V54-L86 PolarHBondContact O-N 3.06Å; V54-L86 VanDerWaalsContact O-N 3.11Å |
| 55 | P | 94.6 | Very high | 92 | Very high | 41 Ų | 41 | 59.1 Ų | 59.1 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 139.8 | -179.5 | -28.2 | 34.2 | 0 | 0 | 0 | 114 | S57 L58 I59 N85 | P55-S57 PolarHBondContact O-N 3.11Å; P55-S57 VanDerWaalsContact O-N 3.09Å; P55-L58 HydrophobicContact CG-CD1 4.47Å; P55-L58 PolarHBondContact O-N 2.86Å; P55-I59 PolarHBondContact O-N 3.2Å; P55-N85 WeakPolarHBondContact CA-OD1 3.43Å |
| 56 | M | 94.3 | Very high | 91.9 | Very high | 36 Ų | 36 | 62.4 Ų | 62.4 | 18% | 0.177 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -46.9 | -43.2 | 174.1 | -178.6 | 176.6 | -83 | 0 | 0 | 111.8 | L58 I59 I60 E72 V75 A76 G84 | M56-L58 PolarHBondContact O-N 3.37Å; M56-L58 VanDerWaalsContact O-N 3.09Å; M56-I59 PolarHBondContact O-N 3.32Å; M56-I60 HydrophobicContact CG-CG2 3.78Å; M56-I60 WeakPolarHBondContact O-CG1 3.25Å; M56-I60 PolarHBondContact O-N 3.45Å; M56-E72 WeakPolarHBondContact CE-O 3.02Å; M56-E72 HydrophobicContact SD-CB 4.12Å; M56-E72 HydrophobicContact SD-CG 4.3Å; M56-V75 HydrophobicContact CB-CG1 4.31Å; M56-V75 HydrophobicContact CE-CB 3.91Å; M56-V75 HydrophobicContact CE-CG1 3.84Å; M56-V75 HydrophobicContact CG-CB 4.22Å; M56-V75 HydrophobicContact CG-CG1 3.89Å; M56-A76 HydrophobicContact CE-CB 3.88Å; M56-G84 VanDerWaalsContact CB-O 3.27Å; M56-G84 WeakPolarHBondContact CB-O 3.25Å |
| 57 | S | 93.6 | Very high | 91.7 | Very high | 67 Ų | 67 | 69.1 Ų | 69.1 | 47% | 0.469 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.7 | -25.4 | -177.1 | 61 | 0 | 0 | 0 | 0 | 113.7 | P55 Q61 | P55-S57 PolarHBondContact O-N 3.11Å; P55-S57 VanDerWaalsContact O-N 3.09Å; S57-Q61 WeakPolarHBondContact O-CG 3.49Å; S57-Q61 PolarHBondContact O-NE2 3.24Å |
| 58 | L | 94.4 | Very high | 91.7 | Very high | 55 Ų | 55 | 65.2 Ų | 65.2 | 29% | 0.288 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -85.3 | -40.6 | 174.1 | -61.7 | 177.2 | 0 | 0 | 0 | 111.4 | A38 V54 P55 M56 Q61 | A38-L58 HydrophobicContact CB-CD1 4.03Å; V54-L58 HydrophobicContact CG1-CB 4.12Å; V54-L58 HydrophobicContact CG1-CD1 4.22Å; P55-L58 HydrophobicContact CG-CD1 4.47Å; P55-L58 PolarHBondContact O-N 2.86Å; M56-L58 PolarHBondContact O-N 3.37Å; M56-L58 VanDerWaalsContact O-N 3.09Å; L58-Q61 WeakPolarHBondContact O-CB 3.48Å; L58-Q61 PolarHBondContact O-N 3.01Å |
| 59 | I | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.2 | -43.2 | -176.7 | -56.6 | 172.1 | 0 | 0 | 0 | 110.7 | L37 V54 P55 M56 Q61 M62 L65 V75 L86 F91 M94 | L37-I59 HydrophobicContact CD1-CG1 4.34Å; V54-I59 HydrophobicContact CB-CD1 4.35Å; V54-I59 HydrophobicContact CG1-CD1 4.23Å; V54-I59 HydrophobicContact CG1-CG1 3.88Å; V54-I59 WeakPolarHBondContact O-CD1 3.23Å; P55-I59 PolarHBondContact O-N 3.2Å; M56-I59 PolarHBondContact O-N 3.32Å; I59-Q61 PolarHBondContact O-N 2.82Å; I59-Q61 VanDerWaalsContact O-N 3.11Å; I59-M62 HydrophobicContact CG2-SD 4.15Å; I59-M62 WeakPolarHBondContact O-CB 3.42Å; I59-M62 WeakPolarHBondContact O-CG 3.5Å; I59-M62 PolarHBondContact O-N 3.48Å; I59-M62 VanDerWaalsContact O-N 3.08Å; I59-L65 HydrophobicContact CG2-CD1 3.94Å; I59-V75 HydrophobicContact CB-CG1 4.42Å; I59-V75 HydrophobicContact CB-CG2 4.21Å; I59-V75 HydrophobicContact CD1-CG1 4.21Å; I59-V75 HydrophobicContact CG2-CG1 4.31Å; I59-V75 HydrophobicContact CG2-CG2 3.59Å; I59-L86 HydrophobicContact CD1-CB 3.5Å; I59-L86 HydrophobicContact CD1-CD1 3.79Å; I59-L86 HydrophobicContact CD1-CG 3.47Å; I59-L86 VanDerWaalsContact CD1-CG 3.47Å; I59-L86 HydrophobicContact CG2-CD1 4.34Å; I59-F91 HydrophobicContact CG2-CE2 4.41Å; I59-M94 HydrophobicContact CG2-CE 4.31Å |
| 60 | I | 93.5 | Very high | 91.8 | Very high | 27 Ų | 27 | 55.9 Ų | 55.9 | 14% | 0.138 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -10.5 | 178.1 | 68.2 | 176.1 | 0 | 0 | 0 | 113.6 | M56 R66 K71 E72 V75 | M56-I60 HydrophobicContact CG-CG2 3.78Å; M56-I60 WeakPolarHBondContact O-CG1 3.25Å; M56-I60 PolarHBondContact O-N 3.45Å; I60-R66 WeakPolarHBondContact O-CA 3.48Å; I60-K71 HydrophobicContact CB-CB 4.3Å; I60-K71 HydrophobicContact CB-CD 4.02Å; I60-K71 HydrophobicContact CB-CG 4Å; I60-K71 HydrophobicContact CG2-CB 4.22Å; I60-K71 HydrophobicContact CG2-CG 4.12Å; I60-E72 HydrophobicContact CD1-CG 4.24Å; I60-E72 HydrophobicContact CG2-CG 4.42Å; I60-V75 HydrophobicContact CG2-CB 4.47Å; I60-V75 HydrophobicContact CG2-CG2 3.89Å |
| 61 | Q | 92.4 | Very high | 91.9 | Very high | 130 Ų | 130 | 56.3 Ų | 56.3 | 61% | 0.607 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -7.8 | 175.3 | -71.4 | -177.9 | 62.2 | 0 | 0 | 112.9 | S57 L58 I59 | S57-Q61 WeakPolarHBondContact O-CG 3.49Å; S57-Q61 PolarHBondContact O-NE2 3.24Å; L58-Q61 WeakPolarHBondContact O-CB 3.48Å; L58-Q61 PolarHBondContact O-N 3.01Å; I59-Q61 PolarHBondContact O-N 2.82Å; I59-Q61 VanDerWaalsContact O-N 3.11Å |
| 62 | M | 92.5 | Very high | 92 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 3% | 0.034 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -55.3 | 138.9 | 174.8 | -74.6 | -179.6 | 73.9 | 0 | 0 | 111.2 | L37 I59 E64 L65 R66 F91 F95 | L37-M62 HydrophobicContact CD1-CG 4.1Å; L37-M62 HydrophobicContact CD1-SD 3.67Å; L37-M62 HydrophobicContact CD2-CG 3.56Å; L37-M62 HydrophobicContact CD2-SD 4.27Å; L37-M62 HydrophobicContact CG-CG 4.36Å; L37-M62 HydrophobicContact CG-SD 4.47Å; I59-M62 HydrophobicContact CG2-SD 4.15Å; I59-M62 WeakPolarHBondContact O-CB 3.42Å; I59-M62 WeakPolarHBondContact O-CG 3.5Å; I59-M62 PolarHBondContact O-N 3.48Å; I59-M62 VanDerWaalsContact O-N 3.08Å; M62-E64 WeakPolarHBondContact CB-OE2 2.79Å; M62-E64 PolarHBondContact O-N 3.46Å; M62-L65 PolarHBondContact O-N 3.48Å; M62-R66 VanDerWaalsContact O-CB 3.31Å; M62-R66 WeakPolarHBondContact O-CB 3.23Å; M62-R66 PolarHBondContact O-N 3.46Å; M62-F91 HydrophobicContact CE-CE2 4.08Å; M62-F91 HydrophobicContact CE-CZ 3.68Å; M62-F91 HydrophobicContact SD-CE2 3.58Å; M62-F91 VanDerWaalsContact SD-CE2 3.58Å; M62-F91 HydrophobicContact SD-CZ 3.81Å; M62-F95 HydrophobicContact CE-CE2 4.01Å; M62-F95 HydrophobicContact CE-CZ 3.68Å; M62-F95 HydrophobicContact SD-CZ 4.42Å |
| 63 | P | 90.2 | Very high | 91.9 | Very high | 93 Ų | 93 | 54.8 Ų | 54.8 | 60% | 0.604 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | -34.6 | 174.8 | -28.3 | 34.7 | 0 | 0 | 0 | 114.1 | L65 | P63-L65 VanDerWaalsContact C-N 3.32Å; P63-L65 PolarHBondContact O-N 2.89Å |
| 64 | E | 87.7 | Confident | 91.8 | Very high | 38 Ų | 38 | 51.1 Ų | 51.1 | 18% | 0.178 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -26.1 | -179.2 | -63.5 | 85.8 | 170.4 | 0 | 0 | 113.4 | M62 F95 I185 | M62-E64 WeakPolarHBondContact CB-OE2 2.79Å; M62-E64 PolarHBondContact O-N 3.46Å; E64-F95 HydrophobicContact CB-CE1 4.49Å; E64-I185 HydrophobicContact CB-CG2 3.66Å; E64-I185 HydrophobicContact CG-CG2 4.13Å |
| 65 | L | 90 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -26 | -174.4 | -72.2 | 173.7 | 0 | 0 | 0 | 113.9 | I59 M62 P63 E67 N68 K71 I74 V75 M94 I185 | I59-L65 HydrophobicContact CG2-CD1 3.94Å; M62-L65 PolarHBondContact O-N 3.48Å; P63-L65 VanDerWaalsContact C-N 3.32Å; P63-L65 PolarHBondContact O-N 2.89Å; L65-E67 PolarHBondContact O-N 3.33Å; L65-E67 VanDerWaalsContact O-N 3.08Å; L65-N68 VanDerWaalsContact O-CB 3.25Å; L65-N68 WeakPolarHBondContact O-CB 3.34Å; L65-N68 PolarHBondContact O-N 3.48Å; L65-K71 HydrophobicContact CB-CB 4.13Å; L65-K71 VanDerWaalsContact O-CB 3.28Å; L65-K71 WeakPolarHBondContact O-CB 3.44Å; L65-K71 WeakPolarHBondContact O-CD 3.42Å; L65-I74 HydrophobicContact CD2-CB 4.45Å; L65-I74 HydrophobicContact CD2-CD1 4.03Å; L65-I74 HydrophobicContact CD2-CG2 4.05Å; L65-V75 HydrophobicContact CD1-CG2 3.9Å; L65-M94 HydrophobicContact CD1-CE 4.17Å; L65-M94 HydrophobicContact CD1-SD 4.31Å; L65-I185 HydrophobicContact CD2-CD1 3.39Å; L65-I185 HydrophobicContact CG-CD1 4.25Å |
| 66 | R | 90.2 | Very high | 91.6 | Very high | 131 Ų | 131 | 51.1 Ų | 51.1 | 49% | 0.494 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -31.5 | -165.1 | 71 | 177.6 | -157 | -161.8 | -4.8 | 115.1 | I60 M62 K71 | I60-R66 WeakPolarHBondContact O-CA 3.48Å; M62-R66 VanDerWaalsContact O-CB 3.31Å; M62-R66 WeakPolarHBondContact O-CB 3.23Å; M62-R66 PolarHBondContact O-N 3.46Å; R66-K71 PolarHBondContact O-NZ 3.34Å |
| 67 | E | 89 | Confident | 91.4 | Very high | 147 Ų | 147 | 50.6 Ų | 50.6 | 69% | 0.687 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -8 | 178.2 | -53.9 | -55.7 | 146.5 | 0 | 0 | 112.6 | L65 | L65-E67 PolarHBondContact O-N 3.33Å; L65-E67 VanDerWaalsContact O-N 3.08Å |
| 68 | N | 89.1 | Confident | 91.4 | Very high | 48 Ų | 48 | 47.9 Ų | 47.9 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | trans | -77.6 | 123.5 | -179.3 | -168.8 | -42.9 | 0 | 0 | 0 | 109.6 | L65 F70 K71 I74 | L65-N68 VanDerWaalsContact O-CB 3.25Å; L65-N68 WeakPolarHBondContact O-CB 3.34Å; L65-N68 PolarHBondContact O-N 3.48Å; N68-F70 PolarHBondContact O-N 2.9Å; N68-F70 WeakPolarHBondContact OD1-CB 3.4Å; N68-F70 PolarHBondContact OD1-N 3.17Å; N68-K71 HydrophobicContact CB-CB 4.36Å; N68-K71 WeakPolarHBondContact O-CB 3.29Å; N68-K71 WeakPolarHBondContact O-CD 3.38Å; N68-K71 WeakPolarHBondContact O-CG 3.36Å; N68-K71 PolarHBondContact O-N 3.16Å; N68-K71 VanDerWaalsContact O-N 3.15Å; N68-I74 WeakPolarHBondContact ND2-CD1 3.4Å | ||
| 69 | P | 88.9 | Confident | 91.3 | Very high | 57 Ų | 57 | 46 Ų | 46 | 37% | 0.37 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -15.1 | -179.5 | 27.8 | -34.9 | 0 | 0 | 0 | 113.6 | R134 | P69-R134 HydrophobicContact CB-CB 4.25Å; P69-R134 WeakPolarHBondContact CB-O 3.38Å; P69-R134 WeakPolarHBondContact O-CD 3.47Å |
| 70 | F | 91.6 | Very high | 91 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 11.3 | 177.1 | -59.2 | -81.9 | 0 | 0 | 0 | 113.1 | N68 E72 R73 I74 I114 Y115 F117 T131 R134 L135 | N68-F70 PolarHBondContact O-N 2.9Å; N68-F70 WeakPolarHBondContact OD1-CB 3.4Å; N68-F70 PolarHBondContact OD1-N 3.17Å; F70-E72 VanDerWaalsContact C-N 3.31Å; F70-E72 PolarHBondContact O-N 3.35Å; F70-R73 HydrophobicContact CB-CB 4.47Å; F70-R73 CarbonylContact O-C 3.57Å; F70-R73 WeakPolarHBondContact O-CA 3.47Å; F70-R73 WeakPolarHBondContact O-CB 3.22Å; F70-R73 PolarHBondContact O-N 3.06Å; F70-I74 HydrophobicContact CB-CD1 4.2Å; F70-I74 HydrophobicContact CB-CG1 4.26Å; F70-I74 WeakPolarHBondContact O-CG1 3.04Å; F70-I74 PolarHBondContact O-N 3.12Å; F70-I114 HydrophobicContact CB-CG2 4.19Å; F70-I114 HydrophobicContact CD1-CG2 4.34Å; F70-I114 HydrophobicContact CG-CG2 4.45Å; F70-Y115 HydrophobicContact CD1-CE1 4.45Å; F70-Y115 HydrophobicContact CE1-CD1 4.22Å; F70-Y115 AromaticContact CE1-CE1 3.83Å; F70-Y115 HydrophobicContact CE1-CE1 3.83Å; F70-Y115 HydrophobicContact CE2-CE1 4.46Å; F70-Y115 AromaticContact CZ-CE1 3.84Å; F70-Y115 HydrophobicContact CZ-CE1 3.84Å; F70-F117 HydrophobicContact CE1-CZ 4.47Å; F70-T131 HydrophobicContact CE1-CG2 4.28Å; F70-T131 HydrophobicContact CZ-CG2 4.05Å; F70-R134 HydrophobicContact CE1-CB 3.89Å; F70-R134 HydrophobicContact CE1-CG 4.34Å; F70-R134 HydrophobicContact CZ-CB 3.89Å; F70-L135 HydrophobicContact CE2-CD2 3.69Å; F70-L135 HydrophobicContact CE2-CG 4.07Å; F70-L135 HydrophobicContact CZ-CD2 4.05Å; F70-L135 HydrophobicContact CZ-CG 3.9Å |
| 71 | K | 92.1 | Very high | 90.5 | Very high | 50 Ų | 50 | 55.7 Ų | 55.7 | 22% | 0.217 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -53 | -41.9 | -173.1 | 63.6 | -167.1 | 178.6 | -176 | 0 | 114.4 | I60 L65 R66 N68 R73 V75 | I60-K71 HydrophobicContact CB-CB 4.3Å; I60-K71 HydrophobicContact CB-CD 4.02Å; I60-K71 HydrophobicContact CB-CG 4Å; I60-K71 HydrophobicContact CG2-CB 4.22Å; I60-K71 HydrophobicContact CG2-CG 4.12Å; L65-K71 HydrophobicContact CB-CB 4.13Å; L65-K71 VanDerWaalsContact O-CB 3.28Å; L65-K71 WeakPolarHBondContact O-CB 3.44Å; L65-K71 WeakPolarHBondContact O-CD 3.42Å; R66-K71 PolarHBondContact O-NZ 3.34Å; N68-K71 HydrophobicContact CB-CB 4.36Å; N68-K71 WeakPolarHBondContact O-CB 3.29Å; N68-K71 WeakPolarHBondContact O-CD 3.38Å; N68-K71 WeakPolarHBondContact O-CG 3.36Å; N68-K71 PolarHBondContact O-N 3.16Å; N68-K71 VanDerWaalsContact O-N 3.15Å; K71-R73 VanDerWaalsContact C-N 3.34Å; K71-V75 WeakPolarHBondContact O-CG2 3.31Å; K71-V75 PolarHBondContact O-N 3.37Å; K71-V75 VanDerWaalsContact O-N 3.07Å |
| 72 | E | 91.8 | Very high | 89.8 | Confident | 73 Ų | 73 | 53 Ų | 53 | 34% | 0.341 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.5 | -39 | 176.7 | -63.7 | 78.1 | -169.3 | 0 | 0 | 111.2 | M56 I60 F70 A76 | M56-E72 WeakPolarHBondContact CE-O 3.02Å; M56-E72 HydrophobicContact SD-CB 4.12Å; M56-E72 HydrophobicContact SD-CG 4.3Å; I60-E72 HydrophobicContact CD1-CG 4.24Å; I60-E72 HydrophobicContact CG2-CG 4.42Å; F70-E72 VanDerWaalsContact C-N 3.31Å; F70-E72 PolarHBondContact O-N 3.35Å; E72-A76 VanDerWaalsContact O-CB 3.25Å; E72-A76 WeakPolarHBondContact O-CB 3.44Å; E72-A76 PolarHBondContact O-N 3.39Å |
| 73 | R | 91 | Very high | 89.3 | Confident | 54 Ų | 54 | 60 Ų | 60 | 20% | 0.204 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.1 | -41 | 178.2 | -64.2 | -60.3 | -56.5 | -170.9 | 6.6 | 112.1 | F70 K71 A76 A77 K113 I114 D116 F117 | F70-R73 HydrophobicContact CB-CB 4.47Å; F70-R73 CarbonylContact O-C 3.57Å; F70-R73 WeakPolarHBondContact O-CA 3.47Å; F70-R73 WeakPolarHBondContact O-CB 3.22Å; F70-R73 PolarHBondContact O-N 3.06Å; K71-R73 VanDerWaalsContact C-N 3.34Å; R73-A76 PolarHBondContact O-N 2.81Å; R73-A77 WeakPolarHBondContact O-CB 3.32Å; R73-A77 PolarHBondContact O-N 3.03Å; R73-K113 PolarHBondContact NH2-O 2.9Å; R73-I114 HydrophobicContact CB-CG2 3.98Å; R73-I114 PolarHBondContact NE-O 3.39Å; R73-D116 PolarHBondContact NH2-O 2.72Å; R73-F117 HydrophobicContact CG-CD1 4.45Å; R73-F117 HydrophobicContact CG-CE1 3.83Å; R73-F117 HydrophobicContact CG-CZ 4.33Å; R73-F117 PolarHBondContact NH1-O 3.05Å |
| 74 | I | 92.2 | Very high | 89.1 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.5 | -54 | 174.7 | -68 | 164.9 | 0 | 0 | 0 | 108.8 | L65 N68 F70 A76 A77 F78 M94 L98 I114 | L65-I74 HydrophobicContact CD2-CB 4.45Å; L65-I74 HydrophobicContact CD2-CD1 4.03Å; L65-I74 HydrophobicContact CD2-CG2 4.05Å; N68-I74 WeakPolarHBondContact ND2-CD1 3.4Å; F70-I74 HydrophobicContact CB-CD1 4.2Å; F70-I74 HydrophobicContact CB-CG1 4.26Å; F70-I74 WeakPolarHBondContact O-CG1 3.04Å; F70-I74 PolarHBondContact O-N 3.12Å; I74-A76 VanDerWaalsContact C-N 3.34Å; I74-A76 PolarHBondContact O-N 3.5Å; I74-A77 PolarHBondContact O-N 3.1Å; I74-F78 VanDerWaalsContact O-CD2 3.27Å; I74-F78 WeakPolarHBondContact O-CD2 3.31Å; I74-M94 HydrophobicContact CG2-CG 4.33Å; I74-M94 HydrophobicContact CG2-SD 4.08Å; I74-L98 HydrophobicContact CG2-CD1 3.79Å; I74-I114 HydrophobicContact CB-CD1 4.31Å; I74-I114 HydrophobicContact CG1-CD1 3.74Å; I74-I114 HydrophobicContact CG1-CG1 4.36Å |
| 75 | V | 93.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.2 | -41.7 | -179.3 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | M56 I59 I60 L65 K71 A77 F78 S79 G84 L86 M94 | M56-V75 HydrophobicContact CB-CG1 4.31Å; M56-V75 HydrophobicContact CE-CB 3.91Å; M56-V75 HydrophobicContact CE-CG1 3.84Å; M56-V75 HydrophobicContact CG-CB 4.22Å; M56-V75 HydrophobicContact CG-CG1 3.89Å; I59-V75 HydrophobicContact CB-CG1 4.42Å; I59-V75 HydrophobicContact CB-CG2 4.21Å; I59-V75 HydrophobicContact CD1-CG1 4.21Å; I59-V75 HydrophobicContact CG2-CG1 4.31Å; I59-V75 HydrophobicContact CG2-CG2 3.59Å; I60-V75 HydrophobicContact CG2-CB 4.47Å; I60-V75 HydrophobicContact CG2-CG2 3.89Å; L65-V75 HydrophobicContact CD1-CG2 3.9Å; K71-V75 WeakPolarHBondContact O-CG2 3.31Å; K71-V75 PolarHBondContact O-N 3.37Å; K71-V75 VanDerWaalsContact O-N 3.07Å; V75-A77 VanDerWaalsContact C-N 3.3Å; V75-A77 PolarHBondContact O-N 2.74Å; V75-F78 PolarHBondContact O-N 2.87Å; V75-S79 PolarHBondContact O-N 2.91Å; V75-G84 VanDerWaalsContact CG1-O 3.24Å; V75-G84 WeakPolarHBondContact CG1-O 3.49Å; V75-L86 HydrophobicContact CG1-CD1 4Å; V75-L86 HydrophobicContact CG1-CD2 4.08Å; V75-L86 HydrophobicContact CG1-CG 3.81Å; V75-L86 WeakPolarHBondContact O-CD2 3.35Å; V75-M94 HydrophobicContact CG2-SD 4.36Å |
| 76 | A | 91.7 | Very high | 89.6 | Confident | 42 Ų | 42 | 55.2 Ų | 55.2 | 35% | 0.347 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.7 | -36.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M56 E72 R73 I74 F78 S79 | M56-A76 HydrophobicContact CE-CB 3.88Å; E72-A76 VanDerWaalsContact O-CB 3.25Å; E72-A76 WeakPolarHBondContact O-CB 3.44Å; E72-A76 PolarHBondContact O-N 3.39Å; R73-A76 PolarHBondContact O-N 2.81Å; I74-A76 VanDerWaalsContact C-N 3.34Å; I74-A76 PolarHBondContact O-N 3.5Å; A76-F78 PolarHBondContact O-N 3.47Å; A76-S79 PolarHBondContact O-N 3.14Å; A76-S79 VanDerWaalsContact O-N 3.14Å |
| 77 | A | 90.9 | Very high | 89.9 | Confident | 24 Ų | 24 | 49.8 Ų | 49.8 | 20% | 0.198 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.8 | -19.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R73 I74 V75 K113 I114 | R73-A77 WeakPolarHBondContact O-CB 3.32Å; R73-A77 PolarHBondContact O-N 3.03Å; I74-A77 PolarHBondContact O-N 3.1Å; V75-A77 VanDerWaalsContact C-N 3.3Å; V75-A77 PolarHBondContact O-N 2.74Å; A77-K113 HydrophobicContact CB-CB 4.31Å; A77-I114 HydrophobicContact CB-CD1 4.41Å; A77-I114 HydrophobicContact CB-CG1 3.73Å |
| 78 | F | 93.2 | Very high | 90.1 | Very high | 11 Ų | 11 | 43 Ų | 43 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -103.3 | -7.9 | 174.8 | -69.6 | -86.2 | 0 | 0 | 0 | 113.1 | I74 V75 A76 E80 L86 D90 D93 M94 V97 Y110 | I74-F78 VanDerWaalsContact O-CD2 3.27Å; I74-F78 WeakPolarHBondContact O-CD2 3.31Å; V75-F78 PolarHBondContact O-N 2.87Å; A76-F78 PolarHBondContact O-N 3.47Å; F78-E80 PolarHBondContact O-N 3.4Å; F78-L86 HydrophobicContact CB-CD2 4.11Å; F78-D90 WeakPolarHBondContact O-CB 3.38Å; F78-D93 HydrophobicContact CD1-CB 4.31Å; F78-M94 HydrophobicContact CB-CB 4.12Å; F78-M94 VanDerWaalsContact CD1-CA 3.41Å; F78-M94 HydrophobicContact CD1-CB 3.87Å; F78-M94 HydrophobicContact CD2-CB 3.72Å; F78-M94 HydrophobicContact CD2-CG 3.57Å; F78-M94 HydrophobicContact CD2-SD 4.44Å; F78-M94 HydrophobicContact CE1-CB 4.22Å; F78-M94 HydrophobicContact CE2-CB 4.11Å; F78-M94 HydrophobicContact CE2-CG 3.81Å; F78-M94 HydrophobicContact CG-CB 3.61Å; F78-M94 HydrophobicContact CG-CG 4.01Å; F78-M94 HydrophobicContact CZ-CB 4.35Å; F78-M94 HydrophobicContact CZ-CG 4.41Å; F78-V97 HydrophobicContact CE1-CB 3.94Å; F78-V97 HydrophobicContact CE1-CG2 3.77Å; F78-V97 HydrophobicContact CZ-CB 3.73Å; F78-V97 HydrophobicContact CZ-CG1 3.95Å; F78-V97 HydrophobicContact CZ-CG2 4.06Å; F78-Y110 HydrophobicContact CD1-CD1 4.11Å; F78-Y110 AromaticContact CD1-CE1 3.44Å; F78-Y110 HydrophobicContact CD1-CE1 3.44Å; F78-Y110 VanDerWaalsContact CD1-CE1 3.44Å; F78-Y110 AromaticContact CD1-CZ 3.94Å; F78-Y110 HydrophobicContact CD2-CD1 4.29Å; F78-Y110 HydrophobicContact CD2-CE1 4.33Å; F78-Y110 AromaticContact CE1-CD1 3.46Å; F78-Y110 HydrophobicContact CE1-CD1 3.46Å; F78-Y110 VanDerWaalsContact CE1-CD1 3.46Å; F78-Y110 HydrophobicContact CE1-CD2 4.4Å; F78-Y110 AromaticContact CE1-CE1 3.05Å; F78-Y110 HydrophobicContact CE1-CE1 3.05Å; F78-Y110 HydrophobicContact CE1-CE2 4.09Å; F78-Y110 HydrophobicContact CE1-CG 4.1Å; F78-Y110 AromaticContact CE1-CZ 3.38Å; F78-Y110 AromaticContact CE2-CD1 3.67Å; F78-Y110 HydrophobicContact CE2-CD1 3.67Å; F78-Y110 HydrophobicContact CE2-CE1 4.03Å; F78-Y110 HydrophobicContact CE2-CG 4.37Å; F78-Y110 HydrophobicContact CG-CD1 4.47Å; F78-Y110 HydrophobicContact CG-CE1 4.07Å; F78-Y110 AromaticContact CZ-CD1 3.19Å; F78-Y110 HydrophobicContact CZ-CD1 3.19Å; F78-Y110 HydrophobicContact CZ-CD2 4.28Å; F78-Y110 AromaticContact CZ-CE1 3.38Å; F78-Y110 HydrophobicContact CZ-CE1 3.38Å; F78-Y110 HydrophobicContact CZ-CE2 4.43Å; F78-Y110 AromaticContact CZ-CG 3.66Å; F78-Y110 HydrophobicContact CZ-CG 3.66Å; F78-Y110 AromaticContact CZ-CZ 3.99Å |
| 79 | S | 92.4 | Very high | 90.4 | Very high | 16 Ų | 16 | 44.6 Ų | 44.6 | 11% | 0.112 | 25% | 0.25 | C | S | . | . | trans | -81.5 | 118 | -177.8 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | V75 A76 D81 G84 N85 | V75-S79 PolarHBondContact O-N 2.91Å; A76-S79 PolarHBondContact O-N 3.14Å; A76-S79 VanDerWaalsContact O-N 3.14Å; S79-D81 VanDerWaalsContact C-N 3.35Å; S79-D81 PolarHBondContact OG-OD1 2.77Å; S79-G84 VanDerWaalsContact OG-C 3.31Å; S79-G84 WeakPolarHBondContact OG-CA 3.31Å; S79-G84 PolarHBondContact OG-N 3.37Å; S79-G84 VanDerWaalsContact OG-N 3.12Å; S79-N85 WeakPolarHBondContact CB-O 3.18Å; S79-N85 PolarHBondContact OG-N 3.03Å; S79-N85 PolarHBondContact OG-O 3.35Å | ||
| 80 | E | 86.1 | Confident | 90.6 | Very high | 172 Ų | 172 | 42.2 Ų | 42.2 | 80% | 0.804 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -78.3 | -19.9 | 176.8 | -63.5 | -167.9 | 156.4 | 0 | 0 | 113.1 | F78 | F78-E80 PolarHBondContact O-N 3.4Š|
| 81 | D | 83.3 | Confident | 90.8 | Very high | 58 Ų | 58 | 41.6 Ų | 41.6 | 31% | 0.31 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -84.7 | -12 | -176.8 | 74.1 | 6.6 | 0 | 0 | 0 | 114 | H53 S79 E83 G84 N85 | H53-D81 IonicContact CD2-OD2 3.73Å; S79-D81 VanDerWaalsContact C-N 3.35Å; S79-D81 PolarHBondContact OG-OD1 2.77Å; D81-E83 PolarHBondContact O-N 3.49Å; D81-E83 VanDerWaalsContact O-N 3.16Å; D81-E83 WeakPolarHBondContact OD1-CA 3.5Å; D81-E83 WeakPolarHBondContact OD1-CB 3.33Å; D81-E83 PolarHBondContact OD1-N 3.46Å; D81-G84 PolarHBondContact OD1-N 2.97Å; D81-G84 VanDerWaalsContact OD1-N 3.14Å; D81-N85 PolarHBondContact OD1-N 2.98Å; D81-N85 VanDerWaalsContact OD2-CB 3.24Å; D81-N85 WeakPolarHBondContact OD2-CB 3.43Å; D81-N85 PolarHBondContact OD2-ND2 3.21Å |
| 82 | G | 78.1 | Confident | 90.9 | Very high | 74 Ų | 74 | 39.2 Ų | 39.2 | 76% | 0.763 | 22% | 0.221 | S | C | * | . | S | Bend | trans | 71.1 | -3.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 83 | E | 83.2 | Confident | 90.9 | Very high | 154 Ų | 154 | 38.7 Ų | 38.7 | 72% | 0.72 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -90.4 | -8 | 172.2 | -62.2 | -171.2 | 170.3 | 0 | 0 | 111.6 | D81 N85 | D81-E83 PolarHBondContact O-N 3.49Å; D81-E83 VanDerWaalsContact O-N 3.16Å; D81-E83 WeakPolarHBondContact OD1-CA 3.5Å; D81-E83 WeakPolarHBondContact OD1-CB 3.33Å; D81-E83 PolarHBondContact OD1-N 3.46Å; E83-N85 VanDerWaalsContact C-N 3.35Å; E83-N85 WeakPolarHBondContact CB-ND2 3.21Å; E83-N85 PolarHBondContact OE2-ND2 2.88Å |
| 84 | G | 84.8 | Confident | 91.1 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 87.7 | 5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | M56 V75 S79 D81 | M56-G84 VanDerWaalsContact CB-O 3.27Å; M56-G84 WeakPolarHBondContact CB-O 3.25Å; V75-G84 VanDerWaalsContact CG1-O 3.24Å; V75-G84 WeakPolarHBondContact CG1-O 3.49Å; S79-G84 VanDerWaalsContact OG-C 3.31Å; S79-G84 WeakPolarHBondContact OG-CA 3.31Å; S79-G84 PolarHBondContact OG-N 3.37Å; S79-G84 VanDerWaalsContact OG-N 3.12Å; D81-G84 PolarHBondContact OD1-N 2.97Å; D81-G84 VanDerWaalsContact OD1-N 3.14Å |
| 85 | N | 93 | Very high | 91.1 | Very high | 27 Ų | 27 | 36 Ų | 36 | 14% | 0.144 | 21% | 0.21 | C | C | . | . | trans | -78.2 | 144.3 | 174.7 | -41.8 | -62 | 0 | 0 | 0 | 108.8 | H53 V54 P55 S79 D81 E83 | H53-N85 HydrophobicContact CB-CB 3.89Å; V54-N85 WeakPolarHBondContact O-CA 3.3Å; V54-N85 WeakPolarHBondContact O-CB 3.24Å; P55-N85 WeakPolarHBondContact CA-OD1 3.43Å; S79-N85 WeakPolarHBondContact CB-O 3.18Å; S79-N85 PolarHBondContact OG-N 3.03Å; S79-N85 PolarHBondContact OG-O 3.35Å; D81-N85 PolarHBondContact OD1-N 2.98Å; D81-N85 VanDerWaalsContact OD2-CB 3.24Å; D81-N85 WeakPolarHBondContact OD2-CB 3.43Å; D81-N85 PolarHBondContact OD2-ND2 3.21Å; E83-N85 VanDerWaalsContact C-N 3.35Å; E83-N85 WeakPolarHBondContact CB-ND2 3.21Å; E83-N85 PolarHBondContact OE2-ND2 2.88Å | ||
| 86 | L | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -110 | 135.9 | 176.4 | -59.2 | -168.4 | 0 | 0 | 0 | 110.3 | F34 V54 I59 V75 F78 D90 F91 M94 | F34-L86 WeakPolarHBondContact CZ-O 3.49Å; V54-L86 PolarHBondContact N-O 2.79Å; V54-L86 PolarHBondContact O-N 3.06Å; V54-L86 VanDerWaalsContact O-N 3.11Å; I59-L86 HydrophobicContact CD1-CB 3.5Å; I59-L86 HydrophobicContact CD1-CD1 3.79Å; I59-L86 HydrophobicContact CD1-CG 3.47Å; I59-L86 VanDerWaalsContact CD1-CG 3.47Å; I59-L86 HydrophobicContact CG2-CD1 4.34Å; V75-L86 HydrophobicContact CG1-CD1 4Å; V75-L86 HydrophobicContact CG1-CD2 4.08Å; V75-L86 HydrophobicContact CG1-CG 3.81Å; V75-L86 WeakPolarHBondContact O-CD2 3.35Å; F78-L86 HydrophobicContact CB-CD2 4.11Å; L86-D90 HydrophobicContact CB-CB 4.02Å; L86-D90 HydrophobicContact CD2-CB 3.84Å; L86-D90 HydrophobicContact CG-CB 4.37Å; L86-F91 HydrophobicContact CD1-CD2 4.38Å; L86-M94 HydrophobicContact CD1-CE 4.24Å; L86-M94 HydrophobicContact CD1-SD 3.89Å |
| 87 | T | 95.4 | Very high | 90.9 | Very high | 17 Ų | 17 | 34.6 Ų | 34.6 | 10% | 0.104 | 20% | 0.197 | C | C | . | . | trans | -75.3 | 170.9 | 159 | 73.1 | 0 | 0 | 0 | 0 | 110.7 | I51 V52 N89 D90 F91 | I51-T87 HydrophobicContact CG2-CG2 4.09Å; V52-T87 WeakPolarHBondContact O-CA 3.41Å; T87-N89 PolarHBondContact O-N 3.36Å; T87-N89 PolarHBondContact OG1-N 2.85Å; T87-D90 WeakPolarHBondContact CB-OD2 3.39Å; T87-D90 WeakPolarHBondContact CG2-OD2 3.31Å; T87-D90 PolarHBondContact N-OD2 3.15Å; T87-D90 PolarHBondContact O-N 3.19Å; T87-D90 PolarHBondContact OG1-N 3.46Å; T87-D90 PolarHBondContact OG1-OD1 3.32Å; T87-D90 PolarHBondContact OG1-OD2 3.12Å; T87-F91 VanDerWaalsContact O-CB 3.31Å; T87-F91 WeakPolarHBondContact O-CB 3.39Å; T87-F91 PolarHBondContact O-N 3.25Å | ||
| 88 | F | 95.1 | Very high | 90.8 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 2% | 0.022 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.9 | -32.6 | 174 | -178.6 | -112.1 | 0 | 0 | 0 | 112 | F8 Y16 I27 L30 H31 F34 Y46 F91 V92 | F8-F88 HydrophobicContact CE1-CD1 4.16Å; F8-F88 AromaticContact CE1-CE1 3.81Å; F8-F88 HydrophobicContact CE1-CE1 3.81Å; F8-F88 HydrophobicContact CE2-CE1 4.27Å; F8-F88 HydrophobicContact CE2-CZ 4.42Å; F8-F88 AromaticContact CZ-CD1 3.95Å; F8-F88 HydrophobicContact CZ-CD1 3.95Å; F8-F88 AromaticContact CZ-CE1 3.32Å; F8-F88 HydrophobicContact CZ-CE1 3.32Å; F8-F88 AromaticContact CZ-CZ 3.8Å; F8-F88 HydrophobicContact CZ-CZ 3.8Å; Y16-F88 HydrophobicContact CE1-CE1 4.33Å; Y16-F88 HydrophobicContact CE2-CE1 4.02Å; Y16-F88 AromaticContact CZ-CD1 3.95Å; Y16-F88 AromaticContact CZ-CE1 3.75Å; Y16-F88 WeakPolarHBondContact OH-CD1 3.3Å; I27-F88 HydrophobicContact CG2-CE1 4.44Å; I27-F88 HydrophobicContact CG2-CZ 4.28Å; L30-F88 HydrophobicContact CB-CE2 4.17Å; L30-F88 HydrophobicContact CB-CZ 4.4Å; H31-F88 HydrophobicContact CB-CE2 3.76Å; H31-F88 HydrophobicContact CB-CZ 3.75Å; F34-F88 HydrophobicContact CB-CD2 3.91Å; F34-F88 HydrophobicContact CB-CE2 4.3Å; F34-F88 HydrophobicContact CD1-CB 4Å; F34-F88 AromaticContact CD1-CD2 3.85Å; F34-F88 HydrophobicContact CD1-CD2 3.85Å; F34-F88 HydrophobicContact CD1-CG 4.36Å; F34-F88 HydrophobicContact CE1-CB 3.84Å; F34-F88 AromaticContact CG-CD2 3.86Å; F34-F88 HydrophobicContact CG-CD2 3.86Å; F34-F88 HydrophobicContact CZ-CB 4.33Å; Y46-F88 HydrophobicContact CD1-CD1 4.37Å; Y46-F88 HydrophobicContact CE1-CB 3.67Å; Y46-F88 HydrophobicContact CE1-CD1 4.17Å; Y46-F88 HydrophobicContact CE1-CG 4.06Å; F88-F91 PolarHBondContact O-N 2.87Å; F88-V92 HydrophobicContact CD1-CG2 4.22Å; F88-V92 HydrophobicContact CD2-CG2 4.3Å; F88-V92 HydrophobicContact CE1-CG2 3.69Å; F88-V92 HydrophobicContact CE2-CG2 3.76Å; F88-V92 HydrophobicContact CZ-CG2 3.44Å; F88-V92 VanDerWaalsContact CZ-CG2 3.44Å; F88-V92 VanDerWaalsContact O-CG2 3.25Å; F88-V92 WeakPolarHBondContact O-CG2 3.44Å; F88-V92 PolarHBondContact O-N 3.43Å |
| 89 | N | 93.9 | Very high | 90.5 | Very high | 82 Ų | 82 | 33.8 Ų | 33.8 | 44% | 0.439 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.1 | -50.2 | 176.3 | -69.3 | -19.7 | 0 | 0 | 0 | 110.4 | Y16 T87 F91 V92 D93 | Y16-N89 WeakPolarHBondContact CE1-OD1 3.33Å; Y16-N89 PolarHBondContact OH-OD1 3.38Å; T87-N89 PolarHBondContact O-N 3.36Å; T87-N89 PolarHBondContact OG1-N 2.85Å; N89-F91 PolarHBondContact O-N 3.01Å; N89-V92 CarbonylContact O-C 3.6Å; N89-V92 WeakPolarHBondContact O-CA 3.16Å; N89-V92 WeakPolarHBondContact O-CB 3.21Å; N89-V92 PolarHBondContact O-N 3.23Å; N89-D93 PolarHBondContact O-N 3Å |
| 90 | D | 94.7 | Very high | 90.1 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.1 | -37.7 | 177.8 | -46.4 | -27.1 | 0 | 0 | 0 | 111.7 | F78 L86 T87 D93 M94 | F78-D90 WeakPolarHBondContact O-CB 3.38Å; L86-D90 HydrophobicContact CB-CB 4.02Å; L86-D90 HydrophobicContact CD2-CB 3.84Å; L86-D90 HydrophobicContact CG-CB 4.37Å; T87-D90 WeakPolarHBondContact CB-OD2 3.39Å; T87-D90 WeakPolarHBondContact CG2-OD2 3.31Å; T87-D90 PolarHBondContact N-OD2 3.15Å; T87-D90 PolarHBondContact O-N 3.19Å; T87-D90 PolarHBondContact OG1-N 3.46Å; T87-D90 PolarHBondContact OG1-OD1 3.32Å; T87-D90 PolarHBondContact OG1-OD2 3.12Å; D90-D93 PolarHBondContact O-N 2.66Å; D90-M94 VanDerWaalsContact O-CB 3.27Å; D90-M94 WeakPolarHBondContact O-CB 3.41Å; D90-M94 PolarHBondContact O-N 3.07Å |
| 91 | F | 94.6 | Very high | 90 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.6 | -43.4 | 175.7 | -169.8 | -100.8 | 0 | 0 | 0 | 112 | L30 R33 F34 L37 I59 M62 L86 T87 F88 N89 M94 F95 | L30-F91 HydrophobicContact CB-CE1 4.49Å; L30-F91 HydrophobicContact CD2-CD1 4.28Å; L30-F91 HydrophobicContact CD2-CE1 3.93Å; R33-F91 HydrophobicContact CB-CE1 4.42Å; R33-F91 HydrophobicContact CB-CZ 4.41Å; F34-F91 HydrophobicContact CB-CD1 4.22Å; F34-F91 HydrophobicContact CB-CE1 4.13Å; F34-F91 HydrophobicContact CD2-CB 3.87Å; F34-F91 AromaticContact CD2-CD1 3.86Å; F34-F91 HydrophobicContact CD2-CD1 3.86Å; F34-F91 AromaticContact CD2-CD2 3.73Å; F34-F91 HydrophobicContact CD2-CD2 3.73Å; F34-F91 HydrophobicContact CD2-CE1 4.22Å; F34-F91 HydrophobicContact CD2-CE2 4.09Å; F34-F91 AromaticContact CD2-CG 3.56Å; F34-F91 HydrophobicContact CD2-CG 3.56Å; F34-F91 HydrophobicContact CD2-CZ 4.31Å; F34-F91 HydrophobicContact CE2-CB 3.89Å; F34-F91 HydrophobicContact CE2-CD2 4.09Å; F34-F91 HydrophobicContact CE2-CG 4.02Å; F34-F91 HydrophobicContact CG-CD1 4.39Å; F34-F91 HydrophobicContact CG-CG 4.49Å; L37-F91 HydrophobicContact CD1-CE2 3.85Å; L37-F91 HydrophobicContact CD1-CZ 4.09Å; I59-F91 HydrophobicContact CG2-CE2 4.41Å; M62-F91 HydrophobicContact CE-CE2 4.08Å; M62-F91 HydrophobicContact CE-CZ 3.68Å; M62-F91 HydrophobicContact SD-CE2 3.58Å; M62-F91 VanDerWaalsContact SD-CE2 3.58Å; M62-F91 HydrophobicContact SD-CZ 3.81Å; L86-F91 HydrophobicContact CD1-CD2 4.38Å; T87-F91 VanDerWaalsContact O-CB 3.31Å; T87-F91 WeakPolarHBondContact O-CB 3.39Å; T87-F91 PolarHBondContact O-N 3.25Å; F88-F91 PolarHBondContact O-N 2.87Å; N89-F91 PolarHBondContact O-N 3.01Å; F91-M94 HydrophobicContact CD2-CE 4.03Å; F91-M94 HydrophobicContact CE2-CE 4.2Å; F91-F95 HydrophobicContact CD1-CD2 4.07Å; F91-F95 HydrophobicContact CD1-CE2 4.19Å; F91-F95 HydrophobicContact CD2-CE2 4.11Å; F91-F95 AromaticContact CE1-CD2 3.92Å; F91-F95 HydrophobicContact CE1-CD2 3.92Å; F91-F95 AromaticContact CE1-CE2 3.7Å; F91-F95 HydrophobicContact CE1-CE2 3.7Å; F91-F95 HydrophobicContact CE2-CD2 4.39Å; F91-F95 AromaticContact CE2-CE2 3.63Å; F91-F95 HydrophobicContact CE2-CE2 3.63Å; F91-F95 HydrophobicContact CG-CD2 4.39Å; F91-F95 HydrophobicContact CG-CE2 4.4Å; F91-F95 HydrophobicContact CZ-CD2 4.12Å; F91-F95 AromaticContact CZ-CE2 3.42Å; F91-F95 HydrophobicContact CZ-CE2 3.42Å; F91-F95 VanDerWaalsContact CZ-CE2 3.42Å; F91-F95 HydrophobicContact CZ-CZ 4.38Å; F91-F95 VanDerWaalsContact O-CD2 3.27Å; F91-F95 WeakPolarHBondContact O-CD2 3.23Å; F91-F95 PolarHBondContact O-N 2.96Å |
| 92 | V | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.5 | -43.7 | 174.9 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | Y16 T20 F22 I27 L30 F88 N89 F95 S96 | Y16-V92 HydrophobicContact CD1-CG1 4.14Å; Y16-V92 HydrophobicContact CE1-CG1 4.49Å; Y16-V92 HydrophobicContact CE1-CG2 4.44Å; T20-V92 HydrophobicContact CG2-CG1 3.59Å; F22-V92 HydrophobicContact CD2-CG1 4.49Å; I27-V92 HydrophobicContact CD1-CG1 3.91Å; L30-V92 HydrophobicContact CB-CG2 4.49Å; L30-V92 HydrophobicContact CD1-CB 4.48Å; L30-V92 HydrophobicContact CD1-CG1 4.43Å; L30-V92 HydrophobicContact CD1-CG2 4.03Å; F88-V92 HydrophobicContact CD1-CG2 4.22Å; F88-V92 HydrophobicContact CD2-CG2 4.3Å; F88-V92 HydrophobicContact CE1-CG2 3.69Å; F88-V92 HydrophobicContact CE2-CG2 3.76Å; F88-V92 HydrophobicContact CZ-CG2 3.44Å; F88-V92 VanDerWaalsContact CZ-CG2 3.44Å; F88-V92 VanDerWaalsContact O-CG2 3.25Å; F88-V92 WeakPolarHBondContact O-CG2 3.44Å; F88-V92 PolarHBondContact O-N 3.43Å; N89-V92 CarbonylContact O-C 3.6Å; N89-V92 WeakPolarHBondContact O-CA 3.16Å; N89-V92 WeakPolarHBondContact O-CB 3.21Å; N89-V92 PolarHBondContact O-N 3.23Å; V92-F95 PolarHBondContact O-N 2.73Å; V92-S96 WeakPolarHBondContact O-CB 3.49Å; V92-S96 PolarHBondContact O-N 3.28Å |
| 93 | D | 92.6 | Very high | 90.6 | Very high | 63 Ų | 63 | 33.2 Ų | 33.2 | 34% | 0.337 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.4 | -42.8 | 179 | -71.4 | -18.4 | 0 | 0 | 0 | 111.5 | F78 N89 D90 F95 S96 V97 | F78-D93 HydrophobicContact CD1-CB 4.31Å; N89-D93 PolarHBondContact O-N 3Å; D90-D93 PolarHBondContact O-N 2.66Å; D93-F95 VanDerWaalsContact C-N 3.35Å; D93-F95 PolarHBondContact O-N 2.85Å; D93-S96 WeakPolarHBondContact O-CB 3.05Å; D93-S96 PolarHBondContact O-N 3.38Å; D93-S96 VanDerWaalsContact O-N 3.16Å; D93-V97 WeakPolarHBondContact O-CG2 3.4Å; D93-V97 PolarHBondContact O-N 3.01Å |
| 94 | M | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -52.2 | -53.4 | 173.4 | -178 | -178.1 | 71.3 | 0 | 0 | 111.2 | I59 L65 I74 V75 F78 L86 D90 F91 L98 | I59-M94 HydrophobicContact CG2-CE 4.31Å; L65-M94 HydrophobicContact CD1-CE 4.17Å; L65-M94 HydrophobicContact CD1-SD 4.31Å; I74-M94 HydrophobicContact CG2-CG 4.33Å; I74-M94 HydrophobicContact CG2-SD 4.08Å; V75-M94 HydrophobicContact CG2-SD 4.36Å; F78-M94 HydrophobicContact CB-CB 4.12Å; F78-M94 VanDerWaalsContact CD1-CA 3.41Å; F78-M94 HydrophobicContact CD1-CB 3.87Å; F78-M94 HydrophobicContact CD2-CB 3.72Å; F78-M94 HydrophobicContact CD2-CG 3.57Å; F78-M94 HydrophobicContact CD2-SD 4.44Å; F78-M94 HydrophobicContact CE1-CB 4.22Å; F78-M94 HydrophobicContact CE2-CB 4.11Å; F78-M94 HydrophobicContact CE2-CG 3.81Å; F78-M94 HydrophobicContact CG-CB 3.61Å; F78-M94 HydrophobicContact CG-CG 4.01Å; F78-M94 HydrophobicContact CZ-CB 4.35Å; F78-M94 HydrophobicContact CZ-CG 4.41Å; L86-M94 HydrophobicContact CD1-CE 4.24Å; L86-M94 HydrophobicContact CD1-SD 3.89Å; D90-M94 VanDerWaalsContact O-CB 3.27Å; D90-M94 WeakPolarHBondContact O-CB 3.41Å; D90-M94 PolarHBondContact O-N 3.07Å; F91-M94 HydrophobicContact CD2-CE 4.03Å; F91-M94 HydrophobicContact CE2-CE 4.2Å; M94-L98 HydrophobicContact CG-CD1 3.76Å; M94-L98 WeakPolarHBondContact O-CB 3.46Å; M94-L98 WeakPolarHBondContact O-CD1 3.32Å; M94-L98 WeakPolarHBondContact O-CG 3.16Å; M94-L98 PolarHBondContact O-N 2.88Å |
| 95 | F | 92.8 | Very high | 90.8 | Very high | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.013 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -72.1 | -31.7 | -179.9 | -80.7 | -65.2 | 0 | 0 | 0 | 113 | F22 L30 M62 E64 F91 V92 D93 L98 C99 I185 I187 | F22-F95 HydrophobicContact CE2-CB 3.9Å; F22-F95 VanDerWaalsContact CZ-C 3.43Å; F22-F95 HydrophobicContact CZ-CB 3.89Å; F22-F95 VanDerWaalsContact CZ-O 3.3Å; F22-F95 WeakPolarHBondContact CZ-O 3.29Å; L30-F95 HydrophobicContact CD1-CB 4.48Å; L30-F95 HydrophobicContact CD2-CB 3.96Å; L30-F95 HydrophobicContact CD2-CD2 3.54Å; L30-F95 HydrophobicContact CD2-CE2 4.25Å; L30-F95 HydrophobicContact CD2-CG 3.84Å; M62-F95 HydrophobicContact CE-CE2 4.01Å; M62-F95 HydrophobicContact CE-CZ 3.68Å; M62-F95 HydrophobicContact SD-CZ 4.42Å; E64-F95 HydrophobicContact CB-CE1 4.49Å; F91-F95 HydrophobicContact CD1-CD2 4.07Å; F91-F95 HydrophobicContact CD1-CE2 4.19Å; F91-F95 HydrophobicContact CD2-CE2 4.11Å; F91-F95 AromaticContact CE1-CD2 3.92Å; F91-F95 HydrophobicContact CE1-CD2 3.92Å; F91-F95 AromaticContact CE1-CE2 3.7Å; F91-F95 HydrophobicContact CE1-CE2 3.7Å; F91-F95 HydrophobicContact CE2-CD2 4.39Å; F91-F95 AromaticContact CE2-CE2 3.63Å; F91-F95 HydrophobicContact CE2-CE2 3.63Å; F91-F95 HydrophobicContact CG-CD2 4.39Å; F91-F95 HydrophobicContact CG-CE2 4.4Å; F91-F95 HydrophobicContact CZ-CD2 4.12Å; F91-F95 AromaticContact CZ-CE2 3.42Å; F91-F95 HydrophobicContact CZ-CE2 3.42Å; F91-F95 VanDerWaalsContact CZ-CE2 3.42Å; F91-F95 HydrophobicContact CZ-CZ 4.38Å; F91-F95 VanDerWaalsContact O-CD2 3.27Å; F91-F95 WeakPolarHBondContact O-CD2 3.23Å; F91-F95 PolarHBondContact O-N 2.96Å; V92-F95 PolarHBondContact O-N 2.73Å; D93-F95 VanDerWaalsContact C-N 3.35Å; D93-F95 PolarHBondContact O-N 2.85Å; F95-L98 PolarHBondContact O-N 3.04Å; F95-C99 WeakPolarHBondContact O-CB 3.44Å; F95-C99 PolarHBondContact O-N 2.8Å; F95-I185 HydrophobicContact CD1-CG2 4.41Å; F95-I185 HydrophobicContact CE1-CG2 3.84Å; F95-I187 HydrophobicContact CB-CD1 3.61Å; F95-I187 HydrophobicContact CD1-CD1 3.13Å; F95-I187 HydrophobicContact CD1-CG1 3.45Å; F95-I187 VanDerWaalsContact CD1-CG1 3.45Å; F95-I187 HydrophobicContact CD2-CD1 4.15Å; F95-I187 HydrophobicContact CE1-CD1 3.76Å; F95-I187 HydrophobicContact CE1-CG1 3.64Å; F95-I187 HydrophobicContact CG-CD1 3.35Å; F95-I187 HydrophobicContact CG-CG1 4.18Å |
| 96 | S | 91.7 | Very high | 90.7 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.5 | -46.5 | 177 | -174.8 | 0 | 0 | 0 | 0 | 110 | T20 F21 F22 V92 D93 C99 A102 | T20-S96 WeakPolarHBondContact CB-OG 3.26Å; F21-S96 WeakPolarHBondContact CD2-O 3.33Å; F21-S96 VanDerWaalsContact CD2-OG 3.31Å; F21-S96 WeakPolarHBondContact CD2-OG 3.06Å; F21-S96 PolarHBondContact N-OG 3.31Å; F22-S96 VanDerWaalsContact CE2-CA 3.47Å; F22-S96 VanDerWaalsContact CE2-N 3.31Å; V92-S96 WeakPolarHBondContact O-CB 3.49Å; V92-S96 PolarHBondContact O-N 3.28Å; D93-S96 WeakPolarHBondContact O-CB 3.05Å; D93-S96 PolarHBondContact O-N 3.38Å; D93-S96 VanDerWaalsContact O-N 3.16Å; S96-C99 PolarHBondContact O-SG 3.29Å; S96-A102 WeakPolarHBondContact O-CB 3.36Å |
| 97 | V | 90.4 | Very high | 90.3 | Very high | 6 Ų | 6 | 43 Ų | 43 | 4% | 0.036 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.6 | -40.4 | 176.9 | 173 | 0 | 0 | 0 | 0 | 112.1 | F78 D93 C99 A102 L106 K107 Y110 | F78-V97 HydrophobicContact CE1-CB 3.94Å; F78-V97 HydrophobicContact CE1-CG2 3.77Å; F78-V97 HydrophobicContact CZ-CB 3.73Å; F78-V97 HydrophobicContact CZ-CG1 3.95Å; F78-V97 HydrophobicContact CZ-CG2 4.06Å; D93-V97 WeakPolarHBondContact O-CG2 3.4Å; D93-V97 PolarHBondContact O-N 3.01Å; V97-C99 VanDerWaalsContact C-N 3.26Å; V97-C99 PolarHBondContact O-N 2.97Å; V97-A102 VanDerWaalsContact O-CB 3.23Å; V97-A102 WeakPolarHBondContact O-CB 3.41Å; V97-L106 HydrophobicContact CG1-CG 4.3Å; V97-L106 HydrophobicContact CG2-CD1 4.32Å; V97-L106 HydrophobicContact CG2-CD2 3.86Å; V97-L106 HydrophobicContact CG2-CG 3.94Å; V97-K107 WeakPolarHBondContact O-CE 3.49Å; V97-Y110 HydrophobicContact CB-CD2 4.29Å; V97-Y110 HydrophobicContact CB-CE2 4.49Å; V97-Y110 HydrophobicContact CG1-CD2 3.57Å; V97-Y110 HydrophobicContact CG1-CE2 4.23Å; V97-Y110 HydrophobicContact CG1-CG 3.85Å; V97-Y110 HydrophobicContact CG2-CD2 3.83Å; V97-Y110 HydrophobicContact CG2-CE2 3.59Å |
| 98 | L | 88.2 | Confident | 90.1 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -80.5 | -3.7 | -177 | -63.1 | 172.2 | 0 | 0 | 0 | 113.3 | I74 M94 F95 F183 H184 I185 | I74-L98 HydrophobicContact CG2-CD1 3.79Å; M94-L98 HydrophobicContact CG-CD1 3.76Å; M94-L98 WeakPolarHBondContact O-CB 3.46Å; M94-L98 WeakPolarHBondContact O-CD1 3.32Å; M94-L98 WeakPolarHBondContact O-CG 3.16Å; M94-L98 PolarHBondContact O-N 2.88Å; F95-L98 PolarHBondContact O-N 3.04Å; L98-F183 HydrophobicContact CD2-CD1 4.17Å; L98-F183 HydrophobicContact CD2-CE1 3.78Å; L98-H184 CarbonylContact O-C 3.51Å; L98-H184 WeakPolarHBondContact O-CA 3.26Å; L98-H184 VanDerWaalsContact O-CB 3.31Å; L98-H184 WeakPolarHBondContact O-CB 3.38Å; L98-I185 HydrophobicContact CB-CB 4.12Å; L98-I185 HydrophobicContact CB-CG1 4.18Å; L98-I185 HydrophobicContact CD1-CD1 3.56Å; L98-I185 HydrophobicContact CD1-CG1 4.05Å; L98-I185 PolarHBondContact O-N 3.41Å |
| 99 | C | 87.6 | Confident | 89.9 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 10% | 0.095 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -71.9 | 159.1 | 176.4 | 84.8 | 0 | 0 | 0 | 0 | 112 | F22 F95 S96 V97 S101 A102 K107 | F22-C99 HydrophobicContact CE1-CB 4.07Å; F22-C99 HydrophobicContact CZ-CB 4.18Å; F95-C99 WeakPolarHBondContact O-CB 3.44Å; F95-C99 PolarHBondContact O-N 2.8Å; S96-C99 PolarHBondContact O-SG 3.29Å; V97-C99 VanDerWaalsContact C-N 3.26Å; V97-C99 PolarHBondContact O-N 2.97Å; C99-S101 VanDerWaalsContact C-N 3.28Å; C99-S101 PolarHBondContact O-N 2.93Å; C99-A102 PolarHBondContact O-N 3.19Å; C99-A102 PolarHBondContact SG-N 3.15Å; C99-K107 WeakPolarHBondContact O-CE 3.25Å; C99-K107 PolarHBondContact O-NZ 3.36Å |
| 100 | E | 84 | Confident | 89.8 | Confident | 144 Ų | 144 | 43 Ų | 43 | 67% | 0.673 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -35.3 | -179.7 | -170.4 | 172.5 | 173 | 0 | 0 | 112.7 | A102 | E100-A102 VanDerWaalsContact C-N 3.29Å; E100-A102 PolarHBondContact O-N 2.87Å |
| 101 | S | 83 | Confident | 89.6 | Confident | 95 Ų | 95 | 42.6 Ų | 42.6 | 66% | 0.664 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -12.9 | -176.5 | -53.9 | 0 | 0 | 0 | 0 | 114.6 | C99 | C99-S101 VanDerWaalsContact C-N 3.28Å; C99-S101 PolarHBondContact O-N 2.93Å |
| 102 | A | 86.8 | Confident | 89.5 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -68 | 140.6 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | F21 S96 V97 C99 E100 K107 | F21-A102 HydrophobicContact CD2-CB 3.98Å; F21-A102 HydrophobicContact CE2-CB 3.82Å; S96-A102 WeakPolarHBondContact O-CB 3.36Å; V97-A102 VanDerWaalsContact O-CB 3.23Å; V97-A102 WeakPolarHBondContact O-CB 3.41Å; C99-A102 PolarHBondContact O-N 3.19Å; C99-A102 PolarHBondContact SG-N 3.15Å; E100-A102 VanDerWaalsContact C-N 3.29Å; E100-A102 PolarHBondContact O-N 2.87Å; A102-K107 HydrophobicContact CB-CG 4.36Å |
| 103 | P | 88 | Confident | 89.4 | Confident | 62 Ų | 62 | 47.6 Ų | 47.6 | 40% | 0.403 | 24% | 0.237 | S | C | . | . | trans | -54.9 | 145.2 | 177.4 | -26 | 33 | 0 | 0 | 0 | 112.6 | F21 E105 L106 K107 | F21-P103 HydrophobicContact CE1-CG 4.36Å; F21-P103 HydrophobicContact CZ-CG 3.95Å; P103-E105 VanDerWaalsContact C-N 3.31Å; P103-E105 PolarHBondContact O-N 3.47Å; P103-L106 HydrophobicContact CB-CB 4.31Å; P103-L106 PolarHBondContact O-N 3.17Å; P103-K107 PolarHBondContact O-N 2.85Å; P103-K107 VanDerWaalsContact O-N 3.11Å | ||
| 104 | R | 85.2 | Confident | 89.4 | Confident | 183 Ų | 183 | 44.7 Ų | 44.7 | 69% | 0.691 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -58.4 | -42.3 | 178.4 | -70.7 | -175.6 | 180 | -173.5 | -2.2 | 112.6 | L106 K107 A108 L180 | R104-L106 VanDerWaalsContact C-N 3.33Å; R104-L106 PolarHBondContact O-N 3.4Å; R104-K107 PolarHBondContact O-N 3.08Å; R104-A108 WeakPolarHBondContact O-CB 3.46Å; R104-A108 PolarHBondContact O-N 2.63Å; R104-L180 HydrophobicContact CB-CD1 3.86Å; R104-L180 HydrophobicContact CG-CD1 3.97Å |
| 105 | E | 87.6 | Confident | 89.3 | Confident | 136 Ų | 136 | 45.8 Ų | 45.8 | 64% | 0.636 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -60.7 | -41.2 | 178.1 | -174.4 | -177.6 | 173.3 | 0 | 0 | 112 | P103 A108 N109 | P103-E105 VanDerWaalsContact C-N 3.31Å; P103-E105 PolarHBondContact O-N 3.47Å; E105-A108 WeakPolarHBondContact O-CB 3.34Å; E105-A108 PolarHBondContact O-N 3.22Å; E105-N109 PolarHBondContact O-N 2.93Å |
| 106 | L | 89 | Confident | 89.3 | Confident | 58 Ų | 58 | 46 Ų | 46 | 30% | 0.304 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.2 | -44.3 | 176.5 | -174.8 | 61.2 | 0 | 0 | 0 | 111 | F21 V97 P103 R104 A108 N109 Y110 | F21-L106 HydrophobicContact CE2-CD2 3.93Å; F21-L106 HydrophobicContact CZ-CD2 4.34Å; V97-L106 HydrophobicContact CG1-CG 4.3Å; V97-L106 HydrophobicContact CG2-CD1 4.32Å; V97-L106 HydrophobicContact CG2-CD2 3.86Å; V97-L106 HydrophobicContact CG2-CG 3.94Å; P103-L106 HydrophobicContact CB-CB 4.31Å; P103-L106 PolarHBondContact O-N 3.17Å; R104-L106 VanDerWaalsContact C-N 3.33Å; R104-L106 PolarHBondContact O-N 3.4Å; L106-A108 VanDerWaalsContact C-N 3.33Å; L106-A108 PolarHBondContact O-N 3.3Å; L106-N109 PolarHBondContact O-N 3.39Å; L106-Y110 HydrophobicContact CD1-CD2 4.14Å; L106-Y110 HydrophobicContact CD1-CE2 3.87Å; L106-Y110 WeakPolarHBondContact O-CD2 3.47Å; L106-Y110 PolarHBondContact O-N 3.25Å |
| 107 | K | 88.9 | Confident | 89.2 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 5% | 0.048 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 174.9 | -68.2 | -175.7 | -179.3 | -167.5 | 0 | 112.2 | V97 C99 A102 P103 R104 N109 Y110 A111 L180 F183 | V97-K107 WeakPolarHBondContact O-CE 3.49Å; C99-K107 WeakPolarHBondContact O-CE 3.25Å; C99-K107 PolarHBondContact O-NZ 3.36Å; A102-K107 HydrophobicContact CB-CG 4.36Å; P103-K107 PolarHBondContact O-N 2.85Å; P103-K107 VanDerWaalsContact O-N 3.11Å; R104-K107 PolarHBondContact O-N 3.08Å; K107-N109 VanDerWaalsContact C-N 3.33Å; K107-N109 PolarHBondContact O-N 3.16Å; K107-Y110 PolarHBondContact O-N 3.24Å; K107-A111 VanDerWaalsContact O-CB 3.22Å; K107-A111 WeakPolarHBondContact O-CB 3.43Å; K107-A111 PolarHBondContact O-N 2.86Å; K107-L180 HydrophobicContact CB-CD2 4.07Å; K107-F183 HydrophobicContact CB-CD1 4.44Å |
| 108 | A | 89.9 | Confident | 89.2 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 2% | 0.017 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.1 | -46.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R104 E105 L106 Y110 A111 F112 F166 I173 | R104-A108 WeakPolarHBondContact O-CB 3.46Å; R104-A108 PolarHBondContact O-N 2.63Å; E105-A108 WeakPolarHBondContact O-CB 3.34Å; E105-A108 PolarHBondContact O-N 3.22Å; L106-A108 VanDerWaalsContact C-N 3.33Å; L106-A108 PolarHBondContact O-N 3.3Å; A108-Y110 PolarHBondContact O-N 3.04Å; A108-A111 PolarHBondContact O-N 2.88Å; A108-F112 WeakPolarHBondContact O-CB 3.47Å; A108-F112 PolarHBondContact O-N 3.04Å; A108-F166 HydrophobicContact CB-CE2 4.48Å; A108-F166 HydrophobicContact CB-CZ 4.49Å; A108-I173 HydrophobicContact CB-CD1 3.19Å |
| 109 | N | 91.4 | Very high | 89.2 | Confident | 59 Ų | 59 | 55.5 Ų | 55.5 | 32% | 0.316 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.2 | -46.9 | 178.5 | -167.2 | -76.7 | 0 | 0 | 0 | 112.3 | E105 L106 K107 F112 K113 F166 | E105-N109 PolarHBondContact O-N 2.93Å; L106-N109 PolarHBondContact O-N 3.39Å; K107-N109 VanDerWaalsContact C-N 3.33Å; K107-N109 PolarHBondContact O-N 3.16Å; N109-F112 WeakPolarHBondContact O-CB 3.37Å; N109-F112 PolarHBondContact O-N 2.79Å; N109-K113 WeakPolarHBondContact O-CG 3.25Å; N109-K113 PolarHBondContact O-N 3.26Å; N109-K113 WeakPolarHBondContact OD1-CE 3.37Å; N109-F166 HydrophobicContact CB-CE2 4.25Å; N109-F166 HydrophobicContact CB-CZ 4.39Å |
| 110 | Y | 91.7 | Very high | 89.4 | Confident | 43 Ų | 43 | 58 Ų | 58 | 17% | 0.169 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73.6 | -34.9 | 178.6 | -81.5 | -86.5 | 0 | 0 | 0 | 113 | F78 V97 L106 K107 A108 F112 K113 I114 | F78-Y110 HydrophobicContact CD1-CD1 4.11Å; F78-Y110 AromaticContact CD1-CE1 3.44Å; F78-Y110 HydrophobicContact CD1-CE1 3.44Å; F78-Y110 VanDerWaalsContact CD1-CE1 3.44Å; F78-Y110 AromaticContact CD1-CZ 3.94Å; F78-Y110 HydrophobicContact CD2-CD1 4.29Å; F78-Y110 HydrophobicContact CD2-CE1 4.33Å; F78-Y110 AromaticContact CE1-CD1 3.46Å; F78-Y110 HydrophobicContact CE1-CD1 3.46Å; F78-Y110 VanDerWaalsContact CE1-CD1 3.46Å; F78-Y110 HydrophobicContact CE1-CD2 4.4Å; F78-Y110 AromaticContact CE1-CE1 3.05Å; F78-Y110 HydrophobicContact CE1-CE1 3.05Å; F78-Y110 HydrophobicContact CE1-CE2 4.09Å; F78-Y110 HydrophobicContact CE1-CG 4.1Å; F78-Y110 AromaticContact CE1-CZ 3.38Å; F78-Y110 AromaticContact CE2-CD1 3.67Å; F78-Y110 HydrophobicContact CE2-CD1 3.67Å; F78-Y110 HydrophobicContact CE2-CE1 4.03Å; F78-Y110 HydrophobicContact CE2-CG 4.37Å; F78-Y110 HydrophobicContact CG-CD1 4.47Å; F78-Y110 HydrophobicContact CG-CE1 4.07Å; F78-Y110 AromaticContact CZ-CD1 3.19Å; F78-Y110 HydrophobicContact CZ-CD1 3.19Å; F78-Y110 HydrophobicContact CZ-CD2 4.28Å; F78-Y110 AromaticContact CZ-CE1 3.38Å; F78-Y110 HydrophobicContact CZ-CE1 3.38Å; F78-Y110 HydrophobicContact CZ-CE2 4.43Å; F78-Y110 AromaticContact CZ-CG 3.66Å; F78-Y110 HydrophobicContact CZ-CG 3.66Å; F78-Y110 AromaticContact CZ-CZ 3.99Å; V97-Y110 HydrophobicContact CB-CD2 4.29Å; V97-Y110 HydrophobicContact CB-CE2 4.49Å; V97-Y110 HydrophobicContact CG1-CD2 3.57Å; V97-Y110 HydrophobicContact CG1-CE2 4.23Å; V97-Y110 HydrophobicContact CG1-CG 3.85Å; V97-Y110 HydrophobicContact CG2-CD2 3.83Å; V97-Y110 HydrophobicContact CG2-CE2 3.59Å; L106-Y110 HydrophobicContact CD1-CD2 4.14Å; L106-Y110 HydrophobicContact CD1-CE2 3.87Å; L106-Y110 WeakPolarHBondContact O-CD2 3.47Å; L106-Y110 PolarHBondContact O-N 3.25Å; K107-Y110 PolarHBondContact O-N 3.24Å; A108-Y110 PolarHBondContact O-N 3.04Å; Y110-F112 VanDerWaalsContact C-N 3.31Å; Y110-F112 PolarHBondContact O-N 3.35Å; Y110-K113 PolarHBondContact O-N 3.41Å; Y110-I114 WeakPolarHBondContact O-CB 3.47Å; Y110-I114 WeakPolarHBondContact O-CD1 3.3Å; Y110-I114 VanDerWaalsContact O-CG1 3.29Å; Y110-I114 WeakPolarHBondContact O-CG1 3.26Å; Y110-I114 PolarHBondContact O-N 2.91Å |
| 111 | A | 90.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | K107 A108 K113 I114 Y115 F169 F179 F183 | K107-A111 VanDerWaalsContact O-CB 3.22Å; K107-A111 WeakPolarHBondContact O-CB 3.43Å; K107-A111 PolarHBondContact O-N 2.86Å; A108-A111 PolarHBondContact O-N 2.88Å; A111-K113 PolarHBondContact O-N 3.36Å; A111-I114 WeakPolarHBondContact O-CB 3.19Å; A111-I114 PolarHBondContact O-N 3.36Å; A111-I114 VanDerWaalsContact O-N 3.1Å; A111-Y115 HydrophobicContact CB-CE2 4.33Å; A111-Y115 WeakPolarHBondContact O-CD2 3.33Å; A111-Y115 PolarHBondContact O-N 3.22Å; A111-F169 HydrophobicContact CB-CE1 4.11Å; A111-F169 HydrophobicContact CB-CZ 4.07Å; A111-F179 HydrophobicContact CB-CE1 4.1Å; A111-F179 HydrophobicContact CB-CZ 4.4Å; A111-F183 HydrophobicContact CB-CD1 4.44Å; A111-F183 HydrophobicContact CB-CD2 4.41Å; A111-F183 HydrophobicContact CB-CE1 3.94Å; A111-F183 HydrophobicContact CB-CE2 3.91Å; A111-F183 HydrophobicContact CB-CZ 3.64Å |
| 112 | F | 93 | Very high | 90.4 | Very high | 11 Ų | 11 | 54.9 Ų | 54.9 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.7 | -51 | 175 | -173.9 | -97.4 | 0 | 0 | 0 | 111.6 | A108 N109 Y110 I114 Y115 D116 N121 I123 F166 F169 | A108-F112 WeakPolarHBondContact O-CB 3.47Å; A108-F112 PolarHBondContact O-N 3.04Å; N109-F112 WeakPolarHBondContact O-CB 3.37Å; N109-F112 PolarHBondContact O-N 2.79Å; Y110-F112 VanDerWaalsContact C-N 3.31Å; Y110-F112 PolarHBondContact O-N 3.35Å; F112-I114 PolarHBondContact O-N 3.2Å; F112-Y115 PolarHBondContact O-N 2.82Å; F112-Y115 VanDerWaalsContact O-N 3.15Å; F112-D116 WeakPolarHBondContact O-CB 3.27Å; F112-D116 PolarHBondContact O-N 3.07Å; F112-N121 VanDerWaalsContact CZ-O 3.23Å; F112-N121 WeakPolarHBondContact CZ-O 3.36Å; F112-I123 HydrophobicContact CD2-CD1 3.54Å; F112-I123 HydrophobicContact CD2-CG1 4.03Å; F112-I123 HydrophobicContact CE2-CD1 3.7Å; F112-I123 HydrophobicContact CE2-CG1 3.75Å; F112-I123 HydrophobicContact CG-CD1 4.44Å; F112-I123 HydrophobicContact CZ-CG1 4.34Å; F112-F166 HydrophobicContact CB-CD2 4.06Å; F112-F166 HydrophobicContact CB-CE2 4.34Å; F112-F166 HydrophobicContact CD1-CD2 4.31Å; F112-F166 HydrophobicContact CD2-CD2 4.27Å; F112-F166 AromaticContact CG-CD2 3.96Å; F112-F166 HydrophobicContact CG-CD2 3.96Å; F112-F169 HydrophobicContact CB-CD1 3.91Å; F112-F169 HydrophobicContact CB-CE1 3.99Å; F112-F169 HydrophobicContact CD2-CB 3.61Å; F112-F169 AromaticContact CD2-CD1 3.75Å; F112-F169 HydrophobicContact CD2-CD1 3.75Å; F112-F169 HydrophobicContact CD2-CD2 4.24Å; F112-F169 HydrophobicContact CD2-CE1 4.48Å; F112-F169 AromaticContact CD2-CG 3.61Å; F112-F169 HydrophobicContact CD2-CG 3.61Å; F112-F169 HydrophobicContact CE2-CB 3.92Å; F112-F169 HydrophobicContact CE2-CG 4.34Å; F112-F169 HydrophobicContact CG-CD1 4.33Å |
| 113 | K | 91.9 | Very high | 90.7 | Very high | 94 Ų | 94 | 54.7 Ų | 54.7 | 41% | 0.409 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60 | -32.1 | 176.2 | -69.5 | 177.9 | 179.1 | 178.7 | 0 | 113.9 | R73 A77 N109 Y110 A111 | R73-K113 PolarHBondContact NH2-O 2.9Å; A77-K113 HydrophobicContact CB-CB 4.31Å; N109-K113 WeakPolarHBondContact O-CG 3.25Å; N109-K113 PolarHBondContact O-N 3.26Å; N109-K113 WeakPolarHBondContact OD1-CE 3.37Å; Y110-K113 PolarHBondContact O-N 3.41Å; A111-K113 PolarHBondContact O-N 3.36Å |
| 114 | I | 91.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.5 | -38.3 | 178.9 | -76.6 | 161.1 | 0 | 0 | 0 | 110.7 | F70 R73 I74 A77 Y110 A111 F112 F183 | F70-I114 HydrophobicContact CB-CG2 4.19Å; F70-I114 HydrophobicContact CD1-CG2 4.34Å; F70-I114 HydrophobicContact CG-CG2 4.45Å; R73-I114 HydrophobicContact CB-CG2 3.98Å; R73-I114 PolarHBondContact NE-O 3.39Å; I74-I114 HydrophobicContact CB-CD1 4.31Å; I74-I114 HydrophobicContact CG1-CD1 3.74Å; I74-I114 HydrophobicContact CG1-CG1 4.36Å; A77-I114 HydrophobicContact CB-CD1 4.41Å; A77-I114 HydrophobicContact CB-CG1 3.73Å; Y110-I114 WeakPolarHBondContact O-CB 3.47Å; Y110-I114 WeakPolarHBondContact O-CD1 3.3Å; Y110-I114 VanDerWaalsContact O-CG1 3.29Å; Y110-I114 WeakPolarHBondContact O-CG1 3.26Å; Y110-I114 PolarHBondContact O-N 2.91Å; A111-I114 WeakPolarHBondContact O-CB 3.19Å; A111-I114 PolarHBondContact O-N 3.36Å; A111-I114 VanDerWaalsContact O-N 3.1Å; F112-I114 PolarHBondContact O-N 3.2Å; I114-F183 HydrophobicContact CD1-CE1 4.44Å; I114-F183 HydrophobicContact CD1-CZ 3.63Å |
| 115 | Y | 91.7 | Very high | 91.2 | Very high | 23 Ų | 23 | 46.3 Ų | 46.3 | 9% | 0.09 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -83.5 | -27.8 | 179.6 | -68.1 | -57.1 | 0 | 0 | 0 | 114.7 | F70 A111 F112 F117 D127 T131 F169 F179 | F70-Y115 HydrophobicContact CD1-CE1 4.45Å; F70-Y115 HydrophobicContact CE1-CD1 4.22Å; F70-Y115 AromaticContact CE1-CE1 3.83Å; F70-Y115 HydrophobicContact CE1-CE1 3.83Å; F70-Y115 HydrophobicContact CE2-CE1 4.46Å; F70-Y115 AromaticContact CZ-CE1 3.84Å; F70-Y115 HydrophobicContact CZ-CE1 3.84Å; A111-Y115 HydrophobicContact CB-CE2 4.33Å; A111-Y115 WeakPolarHBondContact O-CD2 3.33Å; A111-Y115 PolarHBondContact O-N 3.22Å; F112-Y115 PolarHBondContact O-N 2.82Å; F112-Y115 VanDerWaalsContact O-N 3.15Å; Y115-F117 WeakPolarHBondContact O-CD2 3.32Å; Y115-F117 PolarHBondContact O-N 2.86Å; Y115-D127 WeakPolarHBondContact O-CB 3.23Å; Y115-T131 HydrophobicContact CD1-CG2 3.6Å; Y115-T131 WeakPolarHBondContact CD1-OG1 3.27Å; Y115-T131 HydrophobicContact CE1-CG2 3.5Å; Y115-F169 AromaticContact CD2-CE2 3.95Å; Y115-F169 HydrophobicContact CD2-CE2 3.95Å; Y115-F169 AromaticContact CD2-CZ 3.84Å; Y115-F169 HydrophobicContact CD2-CZ 3.84Å; Y115-F169 HydrophobicContact CE2-CE2 4.44Å; Y115-F169 HydrophobicContact CE2-CZ 4.16Å; Y115-F179 HydrophobicContact CE2-CE1 4.4Å; Y115-F179 HydrophobicContact CE2-CE2 4Å; Y115-F179 AromaticContact CE2-CZ 3.48Å; Y115-F179 HydrophobicContact CE2-CZ 3.48Å; Y115-F179 VanDerWaalsContact CE2-CZ 3.48Å; Y115-F179 AromaticContact CZ-CE2 3.97Å; Y115-F179 AromaticContact CZ-CZ 3.83Å; Y115-F179 WeakPolarHBondContact OH-CE2 3.32Å; Y115-F179 VanDerWaalsContact OH-CZ 3.31Å; Y115-F179 WeakPolarHBondContact OH-CZ 3.4Å |
| 116 | D | 93.5 | Very high | 91.5 | Very high | 7 Ų | 7 | 45.4 Ų | 45.4 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | trans | -71.4 | 90 | 173 | 172.8 | 2.5 | 0 | 0 | 0 | 109.7 | R73 F112 N118 T119 D120 N121 I123 | R73-D116 PolarHBondContact NH2-O 2.72Å; F112-D116 WeakPolarHBondContact O-CB 3.27Å; F112-D116 PolarHBondContact O-N 3.07Å; D116-N118 PolarHBondContact OD1-OD1 3.19Å; D116-T119 WeakPolarHBondContact OD1-CA 3.23Å; D116-T119 PolarHBondContact OD1-N 2.87Å; D116-T119 WeakPolarHBondContact OD2-CA 3.4Å; D116-D120 PolarHBondContact OD1-N 2.95Å; D116-D120 PolarHBondContact OD2-N 3.39Å; D116-N121 VanDerWaalsContact OD2-CA 3.24Å; D116-N121 WeakPolarHBondContact OD2-CA 3.28Å; D116-N121 PolarHBondContact OD2-N 3.34Å; D116-I123 HydrophobicContact CB-CG1 4.49Å | ||
| 117 | F | 89.7 | Confident | 91.7 | Very high | 36 Ų | 36 | 42.7 Ų | 42.7 | 16% | 0.158 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -70.7 | -37.5 | -173.6 | -75.7 | -98.9 | 0 | 0 | 0 | 112.3 | F70 R73 Y115 T119 D127 L130 | F70-F117 HydrophobicContact CE1-CZ 4.47Å; R73-F117 HydrophobicContact CG-CD1 4.45Å; R73-F117 HydrophobicContact CG-CE1 3.83Å; R73-F117 HydrophobicContact CG-CZ 4.33Å; R73-F117 PolarHBondContact NH1-O 3.05Å; Y115-F117 WeakPolarHBondContact O-CD2 3.32Å; Y115-F117 PolarHBondContact O-N 2.86Å; F117-T119 VanDerWaalsContact C-N 3.35Å; F117-D127 WeakPolarHBondContact CA-OD1 3.5Å; F117-D127 WeakPolarHBondContact CB-OD1 3.38Å; F117-D127 HydrophobicContact CD2-CB 4.18Å; F117-D127 PolarHBondContact N-OD1 3.14Å; F117-L130 HydrophobicContact CB-CD1 3.78Å; F117-L130 HydrophobicContact CD1-CB 4.32Å; F117-L130 HydrophobicContact CD1-CD1 3.87Å; F117-L130 HydrophobicContact CD2-CB 3.84Å; F117-L130 HydrophobicContact CD2-CD1 4.03Å; F117-L130 HydrophobicContact CE1-CB 4.18Å; F117-L130 HydrophobicContact CE1-CD1 4.48Å; F117-L130 HydrophobicContact CE2-CB 3.7Å; F117-L130 HydrophobicContact CG-CB 4.17Å; F117-L130 HydrophobicContact CG-CD1 3.63Å; F117-L130 HydrophobicContact CZ-CB 3.88Å |
| 118 | N | 89.9 | Confident | 91.9 | Very high | 74 Ų | 74 | 43.1 Ų | 43.1 | 40% | 0.396 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -85 | -9.1 | -174.8 | 76.8 | 16.7 | 0 | 0 | 0 | 113 | D116 D120 D127 | D116-N118 PolarHBondContact OD1-OD1 3.19Å; N118-D120 VanDerWaalsContact C-N 3.34Å; N118-D120 PolarHBondContact ND2-OD2 2.87Å; N118-D120 WeakPolarHBondContact OD1-CB 3.41Å; N118-D120 PolarHBondContact OD1-N 3.45Å; N118-D120 PolarHBondContact OD1-OD1 3.01Å; N118-D120 VanDerWaalsContact OD1-OD1 3.12Å; N118-D120 PolarHBondContact OD1-OD2 3.48Å; N118-D127 PolarHBondContact N-OD1 2.79Å |
| 119 | T | 88 | Confident | 92 | Very high | 106 Ų | 106 | 46.3 Ų | 46.3 | 65% | 0.65 | 23% | 0.23 | S | C | * | . | trans | 62.6 | 31.2 | 179.6 | 62.9 | 0 | 0 | 0 | 0 | 114.6 | D116 F117 N121 | D116-T119 WeakPolarHBondContact OD1-CA 3.23Å; D116-T119 PolarHBondContact OD1-N 2.87Å; D116-T119 WeakPolarHBondContact OD2-CA 3.4Å; F117-T119 VanDerWaalsContact C-N 3.35Å; T119-N121 VanDerWaalsContact C-N 3.33Å | ||
| 120 | D | 91.8 | Very high | 92 | Very high | 66 Ų | 66 | 47.4 Ų | 47.4 | 35% | 0.353 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -88.9 | 0.4 | 179.3 | 75.8 | 8.3 | 0 | 0 | 0 | 113.8 | D116 N118 F122 | D116-D120 PolarHBondContact OD1-N 2.95Å; D116-D120 PolarHBondContact OD2-N 3.39Å; N118-D120 VanDerWaalsContact C-N 3.34Å; N118-D120 PolarHBondContact ND2-OD2 2.87Å; N118-D120 WeakPolarHBondContact OD1-CB 3.41Å; N118-D120 PolarHBondContact OD1-N 3.45Å; N118-D120 PolarHBondContact OD1-OD1 3.01Å; N118-D120 VanDerWaalsContact OD1-OD1 3.12Å; N118-D120 PolarHBondContact OD1-OD2 3.48Å; D120-F122 VanDerWaalsContact C-N 3.31Å; D120-F122 VanDerWaalsContact O-CD2 3.3Å; D120-F122 WeakPolarHBondContact O-CD2 3.19Å; D120-F122 WeakPolarHBondContact OD1-CA 3.46Å; D120-F122 VanDerWaalsContact OD1-CB 3.29Å; D120-F122 WeakPolarHBondContact OD1-CB 3.31Å; D120-F122 PolarHBondContact OD1-N 3.08Å |
| 121 | N | 92.5 | Very high | 91.9 | Very high | 115 Ų | 115 | 45.9 Ų | 45.9 | 62% | 0.615 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 68.7 | 24 | -173.2 | -49.5 | -85.4 | 0 | 0 | 0 | 114.4 | F112 D116 T119 | F112-N121 VanDerWaalsContact CZ-O 3.23Å; F112-N121 WeakPolarHBondContact CZ-O 3.36Å; D116-N121 VanDerWaalsContact OD2-CA 3.24Å; D116-N121 WeakPolarHBondContact OD2-CA 3.28Å; D116-N121 PolarHBondContact OD2-N 3.34Å; T119-N121 VanDerWaalsContact C-N 3.33Å |
| 122 | F | 95 | Very high | 91.9 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 26% | 0.259 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -131.7 | 154.4 | 168.9 | -57.5 | -90.6 | 0 | 0 | 0 | 109 | D120 K163 L164 | D120-F122 VanDerWaalsContact C-N 3.31Å; D120-F122 VanDerWaalsContact O-CD2 3.3Å; D120-F122 WeakPolarHBondContact O-CD2 3.19Å; D120-F122 WeakPolarHBondContact OD1-CA 3.46Å; D120-F122 VanDerWaalsContact OD1-CB 3.29Å; D120-F122 WeakPolarHBondContact OD1-CB 3.31Å; D120-F122 PolarHBondContact OD1-N 3.08Å; F122-K163 HydrophobicContact CB-CB 4.15Å; F122-K163 HydrophobicContact CB-CD 3.74Å; F122-K163 HydrophobicContact CB-CG 4.15Å; F122-K163 HydrophobicContact CD1-CD 3.56Å; F122-K163 HydrophobicContact CD1-CG 3.85Å; F122-K163 HydrophobicContact CD2-CD 4.11Å; F122-K163 VanDerWaalsContact CD2-NZ 3.33Å; F122-K163 HydrophobicContact CE1-CD 4.19Å; F122-K163 VanDerWaalsContact CE1-CE 3.47Å; F122-K163 VanDerWaalsContact CE1-NZ 3.34Å; F122-K163 HydrophobicContact CG-CD 3.52Å; F122-K163 HydrophobicContact CG-CG 4.16Å; F122-L164 CarbonylContact C-O 3.56Å; F122-L164 WeakPolarHBondContact CA-O 3.29Å |
| 123 | I | 94.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -101.2 | 102.9 | 166.5 | -63.9 | 167.1 | 0 | 0 | 0 | 106 | F112 D116 D127 L128 L164 F169 | F112-I123 HydrophobicContact CD2-CD1 3.54Å; F112-I123 HydrophobicContact CD2-CG1 4.03Å; F112-I123 HydrophobicContact CE2-CD1 3.7Å; F112-I123 HydrophobicContact CE2-CG1 3.75Å; F112-I123 HydrophobicContact CG-CD1 4.44Å; F112-I123 HydrophobicContact CZ-CG1 4.34Å; D116-I123 HydrophobicContact CB-CG1 4.49Å; I123-D127 HydrophobicContact CG2-CB 3.94Å; I123-L128 HydrophobicContact CG2-CD2 3.69Å; I123-L128 HydrophobicContact CG2-CG 3.86Å; I123-L164 HydrophobicContact CB-CB 4.2Å; I123-L164 PolarHBondContact N-O 3.47Å; I123-L164 PolarHBondContact O-N 2.95Å; I123-F169 HydrophobicContact CD1-CD2 3.38Å; I123-F169 HydrophobicContact CD1-CE2 3.69Å; I123-F169 HydrophobicContact CD1-CG 4.04Å |
| 124 | C | 92.7 | Very high | 91.6 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 10% | 0.101 | 25% | 0.25 | C | S | . | . | trans | -88.7 | 178 | 178.5 | 71 | 0 | 0 | 0 | 0 | 111.4 | E126 D127 L128 K163 | C124-E126 VanDerWaalsContact C-N 3.27Å; C124-E126 PolarHBondContact O-N 2.83Å; C124-E126 PolarHBondContact SG-OE2 3.38Å; C124-D127 PolarHBondContact N-OD2 3.46Å; C124-D127 WeakPolarHBondContact O-CB 3.5Å; C124-D127 PolarHBondContact O-N 3.04Å; C124-D127 VanDerWaalsContact O-N 3.16Å; C124-D127 PolarHBondContact SG-OD2 2.92Å; C124-L128 PolarHBondContact O-N 3.48Å; C124-L128 VanDerWaalsContact O-N 3.12Å; C124-K163 HydrophobicContact CB-CB 4.5Å | ||
| 125 | K | 91.5 | Very high | 91.3 | Very high | 55 Ų | 55 | 54.5 Ų | 54.5 | 24% | 0.239 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.2 | -43.5 | 178.4 | -178.3 | 166.2 | 179.5 | 163.8 | 0 | 111.6 | D127 L128 E129 C149 D150 I153 | K125-D127 VanDerWaalsContact C-N 3.29Å; K125-D127 PolarHBondContact O-N 3.03Å; K125-L128 WeakPolarHBondContact O-CB 3.49Å; K125-L128 PolarHBondContact O-N 3Å; K125-L128 VanDerWaalsContact O-N 3.14Å; K125-E129 WeakPolarHBondContact CE-OE1 3.38Å; K125-E129 HydrophobicContact CG-CG 4.43Å; K125-E129 VanDerWaalsContact O-CG 3.3Å; K125-E129 WeakPolarHBondContact O-CG 3.48Å; K125-E129 PolarHBondContact O-N 3.47Å; K125-C149 HydrophobicContact CG-CB 4.02Å; K125-D150 WeakPolarHBondContact CE-OD1 3.37Å; K125-D150 IonicContact NZ-OD1 2.65Å; K125-D150 PolarHBondContact NZ-OD1 3.39Å; K125-D150 IonicContact NZ-OD2 2.87Å; K125-I153 HydrophobicContact CB-CD1 4Å |
| 126 | E | 92.5 | Very high | 91.1 | Very high | 116 Ų | 116 | 55 Ų | 55 | 54% | 0.542 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.7 | -37.1 | 179.1 | -63.1 | 77.8 | -176.4 | 0 | 0 | 112 | C124 E129 L130 | C124-E126 VanDerWaalsContact C-N 3.27Å; C124-E126 PolarHBondContact O-N 2.83Å; C124-E126 PolarHBondContact SG-OE2 3.38Å; E126-E129 PolarHBondContact O-N 3.02Å; E126-L130 VanDerWaalsContact O-CG 3.32Å; E126-L130 WeakPolarHBondContact O-CG 3.36Å; E126-L130 PolarHBondContact O-N 3.41Å |
| 127 | D | 94.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.011 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 175.4 | -64.5 | -43 | 0 | 0 | 0 | 111.9 | Y115 F117 N118 I123 C124 K125 L130 T131 | Y115-D127 WeakPolarHBondContact O-CB 3.23Å; F117-D127 WeakPolarHBondContact CA-OD1 3.5Å; F117-D127 WeakPolarHBondContact CB-OD1 3.38Å; F117-D127 HydrophobicContact CD2-CB 4.18Å; F117-D127 PolarHBondContact N-OD1 3.14Å; N118-D127 PolarHBondContact N-OD1 2.79Å; I123-D127 HydrophobicContact CG2-CB 3.94Å; C124-D127 PolarHBondContact N-OD2 3.46Å; C124-D127 WeakPolarHBondContact O-CB 3.5Å; C124-D127 PolarHBondContact O-N 3.04Å; C124-D127 VanDerWaalsContact O-N 3.16Å; C124-D127 PolarHBondContact SG-OD2 2.92Å; K125-D127 VanDerWaalsContact C-N 3.29Å; K125-D127 PolarHBondContact O-N 3.03Å; D127-L130 PolarHBondContact O-N 3.24Å; D127-T131 VanDerWaalsContact O-CB 3.31Å; D127-T131 WeakPolarHBondContact O-CB 3.48Å; D127-T131 PolarHBondContact O-N 3.2Å; D127-T131 PolarHBondContact O-OG1 3.49Å |
| 128 | L | 92.2 | Very high | 90.5 | Very high | 20 Ų | 20 | 65.4 Ų | 65.4 | 11% | 0.105 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 175.3 | -67 | 174.7 | 0 | 0 | 0 | 111.5 | I123 C124 K125 L130 T131 L132 C149 V152 I153 | I123-L128 HydrophobicContact CG2-CD2 3.69Å; I123-L128 HydrophobicContact CG2-CG 3.86Å; C124-L128 PolarHBondContact O-N 3.48Å; C124-L128 VanDerWaalsContact O-N 3.12Å; K125-L128 WeakPolarHBondContact O-CB 3.49Å; K125-L128 PolarHBondContact O-N 3Å; K125-L128 VanDerWaalsContact O-N 3.14Å; L128-L130 PolarHBondContact O-N 3.14Å; L128-T131 WeakPolarHBondContact O-CB 3.25Å; L128-T131 PolarHBondContact O-N 2.96Å; L128-L132 WeakPolarHBondContact O-CB 3.27Å; L128-L132 VanDerWaalsContact O-CG 3.29Å; L128-L132 WeakPolarHBondContact O-CG 3.31Å; L128-L132 PolarHBondContact O-N 2.95Å; L128-C149 HydrophobicContact CB-CB 4.26Å; L128-C149 VanDerWaalsContact CB-SG 3.53Å; L128-C149 HydrophobicContact CD1-CB 4.39Å; L128-V152 HydrophobicContact CD1-CB 4.1Å; L128-V152 HydrophobicContact CD1-CG1 3.81Å; L128-V152 HydrophobicContact CD2-CG1 4.02Å; L128-I153 HydrophobicContact CD1-CD1 4.15Å; L128-I153 HydrophobicContact CD1-CG1 3.79Å |
| 129 | E | 92.1 | Very high | 90.3 | Very high | 68 Ų | 68 | 69.8 Ų | 69.8 | 32% | 0.318 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 175.8 | -69.1 | 178.5 | 177 | 0 | 0 | 111.2 | K125 E126 T131 L132 A133 V145 | K125-E129 WeakPolarHBondContact CE-OE1 3.38Å; K125-E129 HydrophobicContact CG-CG 4.43Å; K125-E129 VanDerWaalsContact O-CG 3.3Å; K125-E129 WeakPolarHBondContact O-CG 3.48Å; K125-E129 PolarHBondContact O-N 3.47Å; E126-E129 PolarHBondContact O-N 3.02Å; E129-T131 VanDerWaalsContact C-N 3.34Å; E129-T131 PolarHBondContact O-N 3.13Å; E129-L132 PolarHBondContact O-N 3.16Å; E129-A133 WeakPolarHBondContact O-CB 3.27Å; E129-A133 PolarHBondContact O-N 3.25Å; E129-V145 HydrophobicContact CB-CG1 4.06Å; E129-V145 HydrophobicContact CG-CG1 3.71Å |
| 130 | L | 91.7 | Very high | 90.3 | Very high | 82 Ų | 82 | 67.4 Ų | 67.4 | 43% | 0.429 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 175.4 | -70.3 | 174 | 0 | 0 | 0 | 111.7 | F117 E126 D127 L128 A133 R134 | F117-L130 HydrophobicContact CB-CD1 3.78Å; F117-L130 HydrophobicContact CD1-CB 4.32Å; F117-L130 HydrophobicContact CD1-CD1 3.87Å; F117-L130 HydrophobicContact CD2-CB 3.84Å; F117-L130 HydrophobicContact CD2-CD1 4.03Å; F117-L130 HydrophobicContact CE1-CB 4.18Å; F117-L130 HydrophobicContact CE1-CD1 4.48Å; F117-L130 HydrophobicContact CE2-CB 3.7Å; F117-L130 HydrophobicContact CG-CB 4.17Å; F117-L130 HydrophobicContact CG-CD1 3.63Å; F117-L130 HydrophobicContact CZ-CB 3.88Å; E126-L130 VanDerWaalsContact O-CG 3.32Å; E126-L130 WeakPolarHBondContact O-CG 3.36Å; E126-L130 PolarHBondContact O-N 3.41Å; D127-L130 PolarHBondContact O-N 3.24Å; L128-L130 PolarHBondContact O-N 3.14Å; L130-A133 PolarHBondContact O-N 2.95Å; L130-R134 VanDerWaalsContact O-CG 3.31Å; L130-R134 WeakPolarHBondContact O-CG 3.27Å; L130-R134 PolarHBondContact O-N 3.36Å |
| 131 | T | 90.4 | Very high | 90.3 | Very high | 11 Ų | 11 | 68.2 Ų | 68.2 | 7% | 0.067 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.5 | -49.9 | 175.1 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | F70 Y115 D127 L128 E129 R134 L135 | F70-T131 HydrophobicContact CE1-CG2 4.28Å; F70-T131 HydrophobicContact CZ-CG2 4.05Å; Y115-T131 HydrophobicContact CD1-CG2 3.6Å; Y115-T131 WeakPolarHBondContact CD1-OG1 3.27Å; Y115-T131 HydrophobicContact CE1-CG2 3.5Å; D127-T131 VanDerWaalsContact O-CB 3.31Å; D127-T131 WeakPolarHBondContact O-CB 3.48Å; D127-T131 PolarHBondContact O-N 3.2Å; D127-T131 PolarHBondContact O-OG1 3.49Å; L128-T131 WeakPolarHBondContact O-CB 3.25Å; L128-T131 PolarHBondContact O-N 2.96Å; E129-T131 VanDerWaalsContact C-N 3.34Å; E129-T131 PolarHBondContact O-N 3.13Å; T131-R134 WeakPolarHBondContact O-CB 3.24Å; T131-R134 PolarHBondContact O-N 3.33Å; T131-L135 HydrophobicContact CG2-CD1 3.93Å; T131-L135 WeakPolarHBondContact O-CG 3.41Å; T131-L135 PolarHBondContact O-N 2.88Å |
| 132 | L | 89.3 | Confident | 90.2 | Very high | 26 Ų | 26 | 70.6 Ų | 70.6 | 14% | 0.136 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 178.6 | -72.3 | 173.1 | 0 | 0 | 0 | 111.2 | L128 E129 R134 L135 T136 V145 V148 | L128-L132 WeakPolarHBondContact O-CB 3.27Å; L128-L132 VanDerWaalsContact O-CG 3.29Å; L128-L132 WeakPolarHBondContact O-CG 3.31Å; L128-L132 PolarHBondContact O-N 2.95Å; E129-L132 PolarHBondContact O-N 3.16Å; L132-R134 PolarHBondContact O-N 3.4Å; L132-L135 PolarHBondContact O-N 2.96Å; L132-L135 VanDerWaalsContact O-N 3.09Å; L132-T136 WeakPolarHBondContact O-CG2 3.49Å; L132-T136 PolarHBondContact O-N 3.11Å; L132-T136 PolarHBondContact O-OG1 2.84Å; L132-V145 HydrophobicContact CD1-CG1 4.24Å; L132-V148 HydrophobicContact CD1-CB 3.8Å; L132-V148 HydrophobicContact CD1-CG1 3.67Å; L132-V148 HydrophobicContact CD2-CG1 3.89Å; L132-V148 HydrophobicContact CG-CG1 4.41Å |
| 133 | A | 89.7 | Confident | 90.1 | Very high | 28 Ų | 28 | 75.6 Ų | 75.6 | 23% | 0.231 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -56.5 | -37.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | E129 L130 K137 S138 | E129-A133 WeakPolarHBondContact O-CB 3.27Å; E129-A133 PolarHBondContact O-N 3.25Å; L130-A133 PolarHBondContact O-N 2.95Å; A133-K137 CarbonylContact O-C 3.51Å; A133-K137 VanDerWaalsContact O-CA 3.25Å; A133-K137 WeakPolarHBondContact O-CA 3.39Å; A133-K137 PolarHBondContact O-N 3.08Å; A133-S138 PolarHBondContact O-N 3.42Å |
| 134 | R | 88.7 | Confident | 90 | Very high | 134 Ų | 134 | 79.8 Ų | 79.8 | 51% | 0.506 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -71.5 | -39.8 | 175.5 | -71.4 | -65.4 | -174.9 | -124.6 | -1.6 | 113 | P69 F70 L130 T131 L132 | P69-R134 HydrophobicContact CB-CB 4.25Å; P69-R134 WeakPolarHBondContact CB-O 3.38Å; P69-R134 WeakPolarHBondContact O-CD 3.47Å; F70-R134 HydrophobicContact CE1-CB 3.89Å; F70-R134 HydrophobicContact CE1-CG 4.34Å; F70-R134 HydrophobicContact CZ-CB 3.89Å; L130-R134 VanDerWaalsContact O-CG 3.31Å; L130-R134 WeakPolarHBondContact O-CG 3.27Å; L130-R134 PolarHBondContact O-N 3.36Å; T131-R134 WeakPolarHBondContact O-CB 3.24Å; T131-R134 PolarHBondContact O-N 3.33Å; L132-R134 PolarHBondContact O-N 3.4Å |
| 135 | L | 87 | Confident | 89.9 | Confident | 100 Ų | 100 | 80.1 Ų | 80.1 | 52% | 0.524 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -72 | -40.9 | 179.6 | -72.3 | 170.6 | 0 | 0 | 0 | 112.9 | F70 T131 L132 | F70-L135 HydrophobicContact CE2-CD2 3.69Å; F70-L135 HydrophobicContact CE2-CG 4.07Å; F70-L135 HydrophobicContact CZ-CD2 4.05Å; F70-L135 HydrophobicContact CZ-CG 3.9Å; T131-L135 HydrophobicContact CG2-CD1 3.93Å; T131-L135 WeakPolarHBondContact O-CG 3.41Å; T131-L135 PolarHBondContact O-N 2.88Å; L132-L135 PolarHBondContact O-N 2.96Å; L132-L135 VanDerWaalsContact O-N 3.09Å |
| 136 | T | 85.7 | Confident | 90 | Very high | 34 Ų | 34 | 79.5 Ų | 79.5 | 21% | 0.209 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -97 | 1.7 | -175.6 | 68.9 | 0 | 0 | 0 | 0 | 113 | L132 S138 E139 L140 | L132-T136 WeakPolarHBondContact O-CG2 3.49Å; L132-T136 PolarHBondContact O-N 3.11Å; L132-T136 PolarHBondContact O-OG1 2.84Å; T136-S138 PolarHBondContact O-N 2.99Å; T136-E139 VanDerWaalsContact O-CB 3.25Å; T136-E139 WeakPolarHBondContact O-CB 3.4Å; T136-E139 VanDerWaalsContact O-CG 3.23Å; T136-E139 WeakPolarHBondContact O-CG 3.49Å; T136-E139 PolarHBondContact O-N 3.09Å; T136-L140 HydrophobicContact CG2-CD1 3.72Å; T136-L140 HydrophobicContact CG2-CG 3.89Å |
| 137 | K | 86.1 | Confident | 90 | Very high | 173 Ų | 173 | 78.6 Ų | 78.6 | 75% | 0.752 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 33.9 | -173.4 | -57 | 176.3 | -179.5 | 173.7 | 0 | 112.4 | A133 E139 | A133-K137 CarbonylContact O-C 3.51Å; A133-K137 VanDerWaalsContact O-CA 3.25Å; A133-K137 WeakPolarHBondContact O-CA 3.39Å; A133-K137 PolarHBondContact O-N 3.08Å; K137-E139 VanDerWaalsContact C-N 3.26Å; K137-E139 PolarHBondContact O-N 3.09Å |
| 138 | S | 84.4 | Confident | 89.8 | Confident | 88 Ų | 88 | 81.2 Ų | 81.2 | 62% | 0.615 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 33.5 | -176.6 | -52.8 | 0 | 0 | 0 | 0 | 113.7 | A133 T136 | A133-S138 PolarHBondContact O-N 3.42Å; T136-S138 PolarHBondContact O-N 2.99Å |
| 139 | E | 87.4 | Confident | 89.8 | Confident | 165 Ų | 165 | 80.2 Ų | 80.2 | 77% | 0.771 | 41% | 0.405 | S | S | * | . | trans | -80 | -20.4 | 174.2 | -72.1 | -179.5 | 171.2 | 0 | 0 | 113.3 | T136 K137 | T136-E139 VanDerWaalsContact O-CB 3.25Å; T136-E139 WeakPolarHBondContact O-CB 3.4Å; T136-E139 VanDerWaalsContact O-CG 3.23Å; T136-E139 WeakPolarHBondContact O-CG 3.49Å; T136-E139 PolarHBondContact O-N 3.09Å; K137-E139 VanDerWaalsContact C-N 3.26Å; K137-E139 PolarHBondContact O-N 3.09Å | ||
| 140 | L | 87.1 | Confident | 89.8 | Confident | 56 Ų | 56 | 80.4 Ų | 80.4 | 29% | 0.293 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -77.2 | 144.4 | 174.4 | -63.3 | 179.9 | 0 | 0 | 0 | 110.8 | T136 E144 V145 | T136-L140 HydrophobicContact CG2-CD1 3.72Å; T136-L140 HydrophobicContact CG2-CG 3.89Å; L140-E144 WeakPolarHBondContact CA-OE2 3.16Å; L140-E144 HydrophobicContact CB-CB 4.16Å; L140-E144 HydrophobicContact CD2-CB 4.29Å; L140-E144 WeakPolarHBondContact CD2-OE2 3.2Å; L140-V145 HydrophobicContact CB-CG2 3.7Å; L140-V145 HydrophobicContact CD1-CG2 4.25Å |
| 141 | D | 91.4 | Very high | 89.8 | Confident | 84 Ų | 84 | 81.7 Ų | 81.7 | 45% | 0.449 | 41% | 0.41 | S | S | . | . | trans | -76.9 | 169.5 | 169.3 | 71.6 | 39.8 | 0 | 0 | 0 | 112.3 | E143 E144 V145 | D141-E143 VanDerWaalsContact C-N 3.29Å; D141-E143 PolarHBondContact O-N 2.94Å; D141-E143 WeakPolarHBondContact OD1-CB 3.47Å; D141-E143 PolarHBondContact OD1-N 3.19Å; D141-E144 PolarHBondContact N-OE2 2.87Å; D141-E144 VanDerWaalsContact N-OE2 3.08Å; D141-E144 PolarHBondContact O-N 3.18Å; D141-E144 WeakPolarHBondContact OD1-CG 3.45Å; D141-E144 PolarHBondContact OD1-N 2.77Å; D141-V145 VanDerWaalsContact O-CG2 3.32Å; D141-V145 WeakPolarHBondContact O-CG2 3.42Å; D141-V145 PolarHBondContact O-N 3.31Å | ||
| 142 | E | 90.9 | Very high | 89.9 | Confident | 165 Ų | 165 | 83.1 Ų | 83.1 | 77% | 0.771 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.2 | -35.4 | -176.8 | -171.2 | 177.6 | 176.8 | 0 | 0 | 112.3 | V146 | E142-V146 WeakPolarHBondContact O-CB 3.41Å; E142-V146 VanDerWaalsContact O-CG2 3.29Å; E142-V146 WeakPolarHBondContact O-CG2 3.48Å; E142-V146 PolarHBondContact O-N 2.91Å |
| 143 | E | 92.2 | Very high | 90.1 | Very high | 164 Ų | 164 | 82.9 Ų | 82.9 | 77% | 0.766 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -70.7 | -41 | 179.8 | -64 | -175 | 176 | 0 | 0 | 111 | D141 L147 | D141-E143 VanDerWaalsContact C-N 3.29Å; D141-E143 PolarHBondContact O-N 2.94Å; D141-E143 WeakPolarHBondContact OD1-CB 3.47Å; D141-E143 PolarHBondContact OD1-N 3.19Å; E143-L147 VanDerWaalsContact O-CB 3.3Å; E143-L147 WeakPolarHBondContact O-CB 3.36Å; E143-L147 PolarHBondContact O-N 3.38Å |
| 144 | E | 92 | Very high | 90.2 | Very high | 90 Ų | 90 | 89.3 Ų | 89.3 | 42% | 0.421 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 174.9 | -71.5 | 179 | 136.6 | 0 | 0 | 111.7 | L140 D141 L147 V148 | L140-E144 WeakPolarHBondContact CA-OE2 3.16Å; L140-E144 HydrophobicContact CB-CB 4.16Å; L140-E144 HydrophobicContact CD2-CB 4.29Å; L140-E144 WeakPolarHBondContact CD2-OE2 3.2Å; D141-E144 PolarHBondContact N-OE2 2.87Å; D141-E144 VanDerWaalsContact N-OE2 3.08Å; D141-E144 PolarHBondContact O-N 3.18Å; D141-E144 WeakPolarHBondContact OD1-CG 3.45Å; D141-E144 PolarHBondContact OD1-N 2.77Å; E144-L147 PolarHBondContact O-N 2.84Å; E144-V148 WeakPolarHBondContact O-CG2 2.97Å; E144-V148 PolarHBondContact O-N 3.13Å |
| 145 | V | 91.7 | Very high | 90.2 | Very high | 22 Ų | 22 | 90.3 Ų | 90.3 | 13% | 0.133 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -60.2 | -50.9 | 177.3 | 169.1 | 0 | 0 | 0 | 0 | 110.3 | E129 L132 L140 D141 L147 V148 C149 | E129-V145 HydrophobicContact CB-CG1 4.06Å; E129-V145 HydrophobicContact CG-CG1 3.71Å; L132-V145 HydrophobicContact CD1-CG1 4.24Å; L140-V145 HydrophobicContact CB-CG2 3.7Å; L140-V145 HydrophobicContact CD1-CG2 4.25Å; D141-V145 VanDerWaalsContact O-CG2 3.32Å; D141-V145 WeakPolarHBondContact O-CG2 3.42Å; D141-V145 PolarHBondContact O-N 3.31Å; V145-L147 VanDerWaalsContact C-N 3.32Å; V145-L147 PolarHBondContact O-N 2.65Å; V145-V148 PolarHBondContact O-N 3.13Å; V145-C149 PolarHBondContact O-N 3.4Å; V145-C149 PolarHBondContact O-SG 3.39Å |
| 146 | V | 92.3 | Very high | 90.4 | Very high | 42 Ų | 42 | 85.7 Ų | 85.7 | 26% | 0.255 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 178.8 | 163.2 | 0 | 0 | 0 | 0 | 111.2 | E142 V148 C149 D150 | E142-V146 WeakPolarHBondContact O-CB 3.41Å; E142-V146 VanDerWaalsContact O-CG2 3.29Å; E142-V146 WeakPolarHBondContact O-CG2 3.48Å; E142-V146 PolarHBondContact O-N 2.91Å; V146-V148 VanDerWaalsContact C-N 3.34Å; V146-V148 PolarHBondContact O-N 2.99Å; V146-C149 PolarHBondContact O-N 2.62Å; V146-D150 WeakPolarHBondContact CG1-OD2 3.38Å; V146-D150 WeakPolarHBondContact O-CB 3.11Å; V146-D150 VanDerWaalsContact O-CG 3.23Å; V146-D150 PolarHBondContact O-N 3.21Å |
| 147 | L | 92.7 | Very high | 90.8 | Very high | 96 Ų | 96 | 85.5 Ų | 85.5 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 179.6 | -177.5 | 67 | 0 | 0 | 0 | 112.5 | E143 E144 V145 K151 | E143-L147 VanDerWaalsContact O-CB 3.3Å; E143-L147 WeakPolarHBondContact O-CB 3.36Å; E143-L147 PolarHBondContact O-N 3.38Å; E144-L147 PolarHBondContact O-N 2.84Å; V145-L147 VanDerWaalsContact C-N 3.32Å; V145-L147 PolarHBondContact O-N 2.65Å; L147-K151 WeakPolarHBondContact O-CG 3.36Å; L147-K151 PolarHBondContact O-N 3.37Å |
| 148 | V | 90.8 | Very high | 91.1 | Very high | 57 Ų | 57 | 82.3 Ų | 82.3 | 35% | 0.345 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.6 | -45.3 | 177.2 | 176.1 | 0 | 0 | 0 | 0 | 110.3 | L132 E144 V145 V146 D150 K151 V152 | L132-V148 HydrophobicContact CD1-CB 3.8Å; L132-V148 HydrophobicContact CD1-CG1 3.67Å; L132-V148 HydrophobicContact CD2-CG1 3.89Å; L132-V148 HydrophobicContact CG-CG1 4.41Å; E144-V148 WeakPolarHBondContact O-CG2 2.97Å; E144-V148 PolarHBondContact O-N 3.13Å; V145-V148 PolarHBondContact O-N 3.13Å; V146-V148 VanDerWaalsContact C-N 3.34Å; V146-V148 PolarHBondContact O-N 2.99Å; V148-D150 PolarHBondContact O-N 3.28Å; V148-K151 PolarHBondContact O-N 2.81Å; V148-V152 HydrophobicContact CG1-CG2 4.35Å; V148-V152 VanDerWaalsContact O-CG2 3.31Å; V148-V152 WeakPolarHBondContact O-CG2 3.46Å; V148-V152 PolarHBondContact O-N 3.16Å |
| 149 | C | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 177.5 | -66.1 | 0 | 0 | 0 | 0 | 112 | K125 L128 V145 V146 K151 V152 I153 | K125-C149 HydrophobicContact CG-CB 4.02Å; L128-C149 HydrophobicContact CB-CB 4.26Å; L128-C149 VanDerWaalsContact CB-SG 3.53Å; L128-C149 HydrophobicContact CD1-CB 4.39Å; V145-C149 PolarHBondContact O-N 3.4Å; V145-C149 PolarHBondContact O-SG 3.39Å; V146-C149 PolarHBondContact O-N 2.62Å; C149-K151 VanDerWaalsContact C-N 3.31Å; C149-K151 PolarHBondContact O-N 2.77Å; C149-V152 PolarHBondContact O-N 2.81Å; C149-I153 WeakPolarHBondContact O-CG1 3.45Å; C149-I153 PolarHBondContact O-N 2.78Å |
| 150 | D | 93.1 | Very high | 91.6 | Very high | 72 Ų | 72 | 78.5 Ų | 78.5 | 39% | 0.385 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62 | -40 | -179.1 | -70.5 | -12.2 | 0 | 0 | 0 | 111.3 | K125 V146 V148 I153 E154 | K125-D150 WeakPolarHBondContact CE-OD1 3.37Å; K125-D150 IonicContact NZ-OD1 2.65Å; K125-D150 PolarHBondContact NZ-OD1 3.39Å; K125-D150 IonicContact NZ-OD2 2.87Å; V146-D150 WeakPolarHBondContact CG1-OD2 3.38Å; V146-D150 WeakPolarHBondContact O-CB 3.11Å; V146-D150 VanDerWaalsContact O-CG 3.23Å; V146-D150 PolarHBondContact O-N 3.21Å; V148-D150 PolarHBondContact O-N 3.28Å; D150-I153 PolarHBondContact O-N 3.34Å; D150-E154 VanDerWaalsContact O-CB 3.29Å; D150-E154 WeakPolarHBondContact O-CB 3.24Å; D150-E154 PolarHBondContact O-N 3.28Å |
| 151 | K | 91.7 | Very high | 91.8 | Very high | 108 Ų | 108 | 79.2 Ų | 79.2 | 47% | 0.47 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 175.5 | -76.9 | -179.1 | 178.4 | -177.2 | 0 | 113.2 | L147 V148 C149 I153 E154 E155 | L147-K151 WeakPolarHBondContact O-CG 3.36Å; L147-K151 PolarHBondContact O-N 3.37Å; V148-K151 PolarHBondContact O-N 2.81Å; C149-K151 VanDerWaalsContact C-N 3.31Å; C149-K151 PolarHBondContact O-N 2.77Å; K151-I153 VanDerWaalsContact C-N 3.31Å; K151-E154 PolarHBondContact O-N 2.81Å; K151-E155 WeakPolarHBondContact O-CB 3.47Å; K151-E155 WeakPolarHBondContact O-CG 3.42Å; K151-E155 PolarHBondContact O-N 3.12Å |
| 152 | V | 91 | Very high | 91.8 | Very high | 41 Ų | 41 | 77.2 Ų | 77.2 | 25% | 0.248 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 178 | 168.8 | 0 | 0 | 0 | 0 | 109.9 | L128 V148 C149 A156 L164 M172 | L128-V152 HydrophobicContact CD1-CB 4.1Å; L128-V152 HydrophobicContact CD1-CG1 3.81Å; L128-V152 HydrophobicContact CD2-CG1 4.02Å; V148-V152 HydrophobicContact CG1-CG2 4.35Å; V148-V152 VanDerWaalsContact O-CG2 3.31Å; V148-V152 WeakPolarHBondContact O-CG2 3.46Å; V148-V152 PolarHBondContact O-N 3.16Å; C149-V152 PolarHBondContact O-N 2.81Å; V152-A156 WeakPolarHBondContact O-CB 3.19Å; V152-A156 PolarHBondContact O-N 2.82Å; V152-L164 HydrophobicContact CG1-CD1 4.13Å; V152-M172 HydrophobicContact CG1-SD 4.1Å |
| 153 | I | 93 | Very high | 91.9 | Very high | 22 Ų | 22 | 72.1 Ų | 72.1 | 11% | 0.113 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.1 | -49.2 | 176.8 | -64.7 | 170.6 | 0 | 0 | 0 | 110.2 | K125 L128 C149 D150 K151 E155 A156 D157 | K125-I153 HydrophobicContact CB-CD1 4Å; L128-I153 HydrophobicContact CD1-CD1 4.15Å; L128-I153 HydrophobicContact CD1-CG1 3.79Å; C149-I153 WeakPolarHBondContact O-CG1 3.45Å; C149-I153 PolarHBondContact O-N 2.78Å; D150-I153 PolarHBondContact O-N 3.34Å; K151-I153 VanDerWaalsContact C-N 3.31Å; I153-E155 PolarHBondContact O-N 3.14Å; I153-A156 PolarHBondContact O-N 2.73Å; I153-D157 HydrophobicContact CG2-CB 4.06Å; I153-D157 WeakPolarHBondContact O-CB 3.4Å; I153-D157 PolarHBondContact O-N 3.38Å |
| 154 | E | 92 | Very high | 92 | Very high | 163 Ų | 163 | 64.4 Ų | 64.4 | 76% | 0.762 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -56.8 | -35 | 179.9 | -175.3 | -178.9 | -171.2 | 0 | 0 | 113.3 | D150 K151 | D150-E154 VanDerWaalsContact O-CB 3.29Å; D150-E154 WeakPolarHBondContact O-CB 3.24Å; D150-E154 PolarHBondContact O-N 3.28Å; K151-E154 PolarHBondContact O-N 2.81Å |
| 155 | E | 90.1 | Very high | 92.1 | Very high | 154 Ų | 154 | 60.6 Ų | 60.6 | 72% | 0.72 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -87.2 | -29.7 | -178.8 | -70.9 | -172.6 | 172.3 | 0 | 0 | 114.4 | K151 I153 | K151-E155 WeakPolarHBondContact O-CB 3.47Å; K151-E155 WeakPolarHBondContact O-CG 3.42Å; K151-E155 PolarHBondContact O-N 3.12Å; I153-E155 PolarHBondContact O-N 3.14Å |
| 156 | A | 91.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 62.7 Ų | 62.7 | 3% | 0.025 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -104 | -26.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V152 I153 L158 L164 D168 M172 | V152-A156 WeakPolarHBondContact O-CB 3.19Å; V152-A156 PolarHBondContact O-N 2.82Å; I153-A156 PolarHBondContact O-N 2.73Å; A156-L158 PolarHBondContact O-N 3.11Å; A156-L158 VanDerWaalsContact O-N 3.11Å; A156-L164 HydrophobicContact CB-CD1 3.99Å; A156-L164 HydrophobicContact CB-CD2 3.66Å; A156-L164 HydrophobicContact CB-CG 4.49Å; A156-D168 WeakPolarHBondContact O-CB 3.35Å; A156-M172 HydrophobicContact CB-CB 4.04Å; A156-M172 HydrophobicContact CB-CG 4.08Å; A156-M172 HydrophobicContact CB-SD 4Å |
| 157 | D | 93.8 | Very high | 92.2 | Very high | 30 Ų | 30 | 63.8 Ų | 63.8 | 16% | 0.16 | 36% | 0.358 | C | S | . | . | trans | -71.3 | 100.5 | -179.1 | -179.9 | 3.8 | 0 | 0 | 0 | 110.8 | I153 D159 G160 D161 G162 L164 | I153-D157 HydrophobicContact CG2-CB 4.06Å; I153-D157 WeakPolarHBondContact O-CB 3.4Å; I153-D157 PolarHBondContact O-N 3.38Å; D157-D159 PolarHBondContact OD1-N 3.01Å; D157-G160 WeakPolarHBondContact OD1-CA 3.43Å; D157-G160 PolarHBondContact OD1-N 3.19Å; D157-G160 VanDerWaalsContact OD2-C 3.32Å; D157-G160 VanDerWaalsContact OD2-CA 3.26Å; D157-G160 WeakPolarHBondContact OD2-CA 3.28Å; D157-D161 PolarHBondContact OD1-N 2.88Å; D157-D161 PolarHBondContact OD2-N 2.83Å; D157-G162 WeakPolarHBondContact OD2-CA 3.33Å; D157-G162 PolarHBondContact OD2-N 3.44Å; D157-L164 HydrophobicContact CB-CD2 3.94Å | ||
| 158 | L | 91.7 | Very high | 92.3 | Very high | 107 Ų | 107 | 59.7 Ų | 59.7 | 56% | 0.56 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -82.9 | -23.4 | -175.3 | -57.2 | 175.5 | 0 | 0 | 0 | 112.8 | A156 D168 D171 | A156-L158 PolarHBondContact O-N 3.11Å; A156-L158 VanDerWaalsContact O-N 3.11Å; L158-D168 WeakPolarHBondContact CB-OD1 3.49Å; L158-D168 WeakPolarHBondContact CG-OD1 3.5Å; L158-D168 PolarHBondContact N-OD1 3.28Å; L158-D171 HydrophobicContact CD1-CB 4.04Å |
| 159 | D | 92.5 | Very high | 92.3 | Very high | 111 Ų | 111 | 57.2 Ų | 57.2 | 59% | 0.594 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -102.5 | -13.4 | -177 | 77.5 | 11.1 | 0 | 0 | 0 | 114 | D157 D161 | D157-D159 PolarHBondContact OD1-N 3.01Å; D159-D161 VanDerWaalsContact OD1-CB 3.32Å; D159-D161 WeakPolarHBondContact OD1-CB 3.37Å; D159-D161 PolarHBondContact OD1-N 3.48Å |
| 160 | G | 90 | Very high | 92.2 | Very high | 61 Ų | 61 | 60.8 Ų | 60.8 | 63% | 0.629 | 34% | 0.338 | S | S | * | . | trans | 78.7 | 24.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D157 G162 | D157-G160 WeakPolarHBondContact OD1-CA 3.43Å; D157-G160 PolarHBondContact OD1-N 3.19Å; D157-G160 VanDerWaalsContact OD2-C 3.32Å; D157-G160 VanDerWaalsContact OD2-CA 3.26Å; D157-G160 WeakPolarHBondContact OD2-CA 3.28Å; G160-G162 VanDerWaalsContact C-N 3.32Å | ||
| 161 | D | 92.2 | Very high | 92.1 | Very high | 71 Ų | 71 | 60 Ų | 60 | 38% | 0.38 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -85.3 | -3.7 | 178.8 | 82.4 | -3.5 | 0 | 0 | 0 | 114.1 | D157 D159 K163 | D157-D161 PolarHBondContact OD1-N 2.88Å; D157-D161 PolarHBondContact OD2-N 2.83Å; D159-D161 VanDerWaalsContact OD1-CB 3.32Å; D159-D161 WeakPolarHBondContact OD1-CB 3.37Å; D159-D161 PolarHBondContact OD1-N 3.48Å; D161-K163 VanDerWaalsContact CG-CG 3.49Å; D161-K163 WeakPolarHBondContact OD1-CG 3.43Å; D161-K163 PolarHBondContact OD1-N 3.33Å; D161-K163 WeakPolarHBondContact OD2-CE 3.5Å; D161-K163 WeakPolarHBondContact OD2-CG 3.46Å; D161-K163 IonicContact OD2-NZ 3.64Å |
| 162 | G | 91 | Very high | 92 | Very high | 42 Ų | 42 | 57.5 Ų | 57.5 | 43% | 0.433 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 84.3 | 11.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D157 G160 | D157-G162 WeakPolarHBondContact OD2-CA 3.33Å; D157-G162 PolarHBondContact OD2-N 3.44Å; G160-G162 VanDerWaalsContact C-N 3.32Å |
| 163 | K | 93.5 | Very high | 91.8 | Very high | 59 Ų | 59 | 55.9 Ų | 55.9 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -145 | 164.5 | 178.1 | 53.7 | -178.1 | -173.5 | 163.7 | 0 | 108.9 | F122 C124 D161 | F122-K163 HydrophobicContact CB-CB 4.15Å; F122-K163 HydrophobicContact CB-CD 3.74Å; F122-K163 HydrophobicContact CB-CG 4.15Å; F122-K163 HydrophobicContact CD1-CD 3.56Å; F122-K163 HydrophobicContact CD1-CG 3.85Å; F122-K163 HydrophobicContact CD2-CD 4.11Å; F122-K163 VanDerWaalsContact CD2-NZ 3.33Å; F122-K163 HydrophobicContact CE1-CD 4.19Å; F122-K163 VanDerWaalsContact CE1-CE 3.47Å; F122-K163 VanDerWaalsContact CE1-NZ 3.34Å; F122-K163 HydrophobicContact CG-CD 3.52Å; F122-K163 HydrophobicContact CG-CG 4.16Å; C124-K163 HydrophobicContact CB-CB 4.5Å; D161-K163 VanDerWaalsContact CG-CG 3.49Å; D161-K163 WeakPolarHBondContact OD1-CG 3.43Å; D161-K163 PolarHBondContact OD1-N 3.33Å; D161-K163 WeakPolarHBondContact OD2-CE 3.5Å; D161-K163 WeakPolarHBondContact OD2-CG 3.46Å; D161-K163 IonicContact OD2-NZ 3.64Å |
| 164 | L | 93.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -104.2 | 111.8 | -177.3 | -51.2 | -180 | 0 | 0 | 0 | 109.7 | F122 I123 V152 A156 D157 D168 M172 | F122-L164 CarbonylContact C-O 3.56Å; F122-L164 WeakPolarHBondContact CA-O 3.29Å; I123-L164 HydrophobicContact CB-CB 4.2Å; I123-L164 PolarHBondContact N-O 3.47Å; I123-L164 PolarHBondContact O-N 2.95Å; V152-L164 HydrophobicContact CG1-CD1 4.13Å; A156-L164 HydrophobicContact CB-CD1 3.99Å; A156-L164 HydrophobicContact CB-CD2 3.66Å; A156-L164 HydrophobicContact CB-CG 4.49Å; D157-L164 HydrophobicContact CB-CD2 3.94Å; L164-D168 HydrophobicContact CB-CB 4.11Å; L164-D168 HydrophobicContact CD2-CB 4.11Å; L164-M172 HydrophobicContact CD1-SD 4.35Å |
| 165 | G | 94.6 | Very high | 91.1 | Very high | 10 Ų | 10 | 57 Ų | 57 | 10% | 0.103 | 33% | 0.329 | C | S | . | . | trans | -71.9 | 175.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A167 D168 F169 | G165-A167 PolarHBondContact O-N 3.33Å; G165-D168 WeakPolarHBondContact CA-OD2 3.48Å; G165-D168 PolarHBondContact N-OD2 3.17Å; G165-D168 PolarHBondContact O-N 2.94Å; G165-F169 WeakPolarHBondContact O-CB 3.4Å; G165-F169 PolarHBondContact O-N 3.43Å | ||
| 166 | F | 93.2 | Very high | 90.7 | Very high | 67 Ų | 67 | 51.6 Ų | 51.6 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.3 | -36.6 | 178.2 | -177.4 | -107.6 | 0 | 0 | 0 | 112.7 | A108 N109 F112 E170 | A108-F166 HydrophobicContact CB-CE2 4.48Å; A108-F166 HydrophobicContact CB-CZ 4.49Å; N109-F166 HydrophobicContact CB-CE2 4.25Å; N109-F166 HydrophobicContact CB-CZ 4.39Å; F112-F166 HydrophobicContact CB-CD2 4.06Å; F112-F166 HydrophobicContact CB-CE2 4.34Å; F112-F166 HydrophobicContact CD1-CD2 4.31Å; F112-F166 HydrophobicContact CD2-CD2 4.27Å; F112-F166 AromaticContact CG-CD2 3.96Å; F112-F166 HydrophobicContact CG-CD2 3.96Å; F166-E170 VanDerWaalsContact O-CB 3.24Å; F166-E170 WeakPolarHBondContact O-CB 3.46Å; F166-E170 PolarHBondContact O-N 3.06Å |
| 167 | A | 92.6 | Very high | 89.8 | Confident | 65 Ų | 65 | 55.2 Ų | 55.2 | 54% | 0.537 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.7 | -42.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G165 E170 D171 | G165-A167 PolarHBondContact O-N 3.33Å; A167-E170 PolarHBondContact O-N 3.25Å; A167-D171 PolarHBondContact O-N 3.12Å |
| 168 | D | 93.7 | Very high | 89 | Confident | 9 Ų | 9 | 59.9 Ų | 59.9 | 5% | 0.048 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 176.1 | -53.5 | -59.6 | 0 | 0 | 0 | 110.8 | A156 L158 L164 G165 E170 D171 M172 | A156-D168 WeakPolarHBondContact O-CB 3.35Å; L158-D168 WeakPolarHBondContact CB-OD1 3.49Å; L158-D168 WeakPolarHBondContact CG-OD1 3.5Å; L158-D168 PolarHBondContact N-OD1 3.28Å; L164-D168 HydrophobicContact CB-CB 4.11Å; L164-D168 HydrophobicContact CD2-CB 4.11Å; G165-D168 WeakPolarHBondContact CA-OD2 3.48Å; G165-D168 PolarHBondContact N-OD2 3.17Å; G165-D168 PolarHBondContact O-N 2.94Å; D168-E170 PolarHBondContact O-N 3.09Å; D168-D171 PolarHBondContact O-N 3.3Å; D168-M172 WeakPolarHBondContact O-CB 3.46Å; D168-M172 PolarHBondContact O-N 3.49Å |
| 169 | F | 91.6 | Very high | 88.3 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 176.6 | -176.9 | -100.4 | 0 | 0 | 0 | 112 | A111 F112 Y115 I123 G165 M172 I173 | A111-F169 HydrophobicContact CB-CE1 4.11Å; A111-F169 HydrophobicContact CB-CZ 4.07Å; F112-F169 HydrophobicContact CB-CD1 3.91Å; F112-F169 HydrophobicContact CB-CE1 3.99Å; F112-F169 HydrophobicContact CD2-CB 3.61Å; F112-F169 AromaticContact CD2-CD1 3.75Å; F112-F169 HydrophobicContact CD2-CD1 3.75Å; F112-F169 HydrophobicContact CD2-CD2 4.24Å; F112-F169 HydrophobicContact CD2-CE1 4.48Å; F112-F169 AromaticContact CD2-CG 3.61Å; F112-F169 HydrophobicContact CD2-CG 3.61Å; F112-F169 HydrophobicContact CE2-CB 3.92Å; F112-F169 HydrophobicContact CE2-CG 4.34Å; F112-F169 HydrophobicContact CG-CD1 4.33Å; Y115-F169 AromaticContact CD2-CE2 3.95Å; Y115-F169 HydrophobicContact CD2-CE2 3.95Å; Y115-F169 AromaticContact CD2-CZ 3.84Å; Y115-F169 HydrophobicContact CD2-CZ 3.84Å; Y115-F169 HydrophobicContact CE2-CE2 4.44Å; Y115-F169 HydrophobicContact CE2-CZ 4.16Å; I123-F169 HydrophobicContact CD1-CD2 3.38Å; I123-F169 HydrophobicContact CD1-CE2 3.69Å; I123-F169 HydrophobicContact CD1-CG 4.04Å; G165-F169 WeakPolarHBondContact O-CB 3.4Å; G165-F169 PolarHBondContact O-N 3.43Å; F169-M172 HydrophobicContact CD2-CE 3.49Å; F169-M172 VanDerWaalsContact CD2-CE 3.49Å; F169-M172 HydrophobicContact CE2-CE 3.59Å; F169-M172 HydrophobicContact CG-CE 4.48Å; F169-M172 WeakPolarHBondContact O-CB 3.15Å; F169-M172 PolarHBondContact O-N 3.45Å; F169-I173 HydrophobicContact CD1-CD1 4.27Å; F169-I173 HydrophobicContact CD1-CG2 4.24Å; F169-I173 HydrophobicContact CD2-CG2 4.48Å; F169-I173 HydrophobicContact CE1-CD1 4.08Å; F169-I173 HydrophobicContact CE1-CG2 3.81Å; F169-I173 HydrophobicContact CE2-CG2 4.08Å; F169-I173 HydrophobicContact CZ-CG2 3.71Å; F169-I173 WeakPolarHBondContact O-CG1 3.18Å; F169-I173 WeakPolarHBondContact O-CG2 3.16Å; F169-I173 PolarHBondContact O-N 2.96Å |
| 170 | E | 91 | Very high | 87.2 | Confident | 75 Ų | 75 | 52.8 Ų | 52.8 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 177.4 | -174.6 | 174.2 | -131.8 | 0 | 0 | 111.8 | F166 A167 D168 I173 A174 | F166-E170 VanDerWaalsContact O-CB 3.24Å; F166-E170 WeakPolarHBondContact O-CB 3.46Å; F166-E170 PolarHBondContact O-N 3.06Å; A167-E170 PolarHBondContact O-N 3.25Å; D168-E170 PolarHBondContact O-N 3.09Å; E170-I173 WeakPolarHBondContact O-CG1 3.28Å; E170-A174 VanDerWaalsContact O-CB 3.27Å; E170-A174 WeakPolarHBondContact O-CB 3.41Å; E170-A174 PolarHBondContact O-N 3.26Å |
| 171 | D | 90.5 | Very high | 86.2 | Confident | 55 Ų | 55 | 53 Ų | 53 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 174.8 | -173.8 | 61.4 | 0 | 0 | 0 | 111.5 | L158 A167 D168 A174 K175 | L158-D171 HydrophobicContact CD1-CB 4.04Å; A167-D171 PolarHBondContact O-N 3.12Å; D168-D171 PolarHBondContact O-N 3.3Å; D171-A174 PolarHBondContact O-N 2.95Å; D171-K175 WeakPolarHBondContact O-CG 3.06Å; D171-K175 PolarHBondContact O-N 3.12Å; D171-K175 VanDerWaalsContact O-N 3.14Å; D171-K175 WeakPolarHBondContact OD2-CE 3.23Å; D171-K175 IonicContact OD2-NZ 2.61Å; D171-K175 PolarHBondContact OD2-NZ 3.45Å |
| 172 | M | 89 | Confident | 85.2 | Confident | 55 Ų | 55 | 54.6 Ų | 54.6 | 27% | 0.271 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60 | -51 | 176.7 | -175.6 | -170.1 | 70.8 | 0 | 0 | 112 | V152 A156 L164 D168 F169 A174 K175 A176 | V152-M172 HydrophobicContact CG1-SD 4.1Å; A156-M172 HydrophobicContact CB-CB 4.04Å; A156-M172 HydrophobicContact CB-CG 4.08Å; A156-M172 HydrophobicContact CB-SD 4Å; L164-M172 HydrophobicContact CD1-SD 4.35Å; D168-M172 WeakPolarHBondContact O-CB 3.46Å; D168-M172 PolarHBondContact O-N 3.49Å; F169-M172 HydrophobicContact CD2-CE 3.49Å; F169-M172 VanDerWaalsContact CD2-CE 3.49Å; F169-M172 HydrophobicContact CE2-CE 3.59Å; F169-M172 HydrophobicContact CG-CE 4.48Å; F169-M172 WeakPolarHBondContact O-CB 3.15Å; F169-M172 PolarHBondContact O-N 3.45Å; M172-A174 VanDerWaalsContact C-N 3.29Å; M172-A174 PolarHBondContact O-N 2.79Å; M172-K175 PolarHBondContact O-N 3.49Å; M172-A176 PolarHBondContact O-N 3.43Å |
| 173 | I | 87.5 | Confident | 84.3 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 4% | 0.036 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.4 | -27.6 | 179.2 | 66 | -178.3 | 0 | 0 | 0 | 112.2 | A108 F169 E170 K175 A176 F179 L180 | A108-I173 HydrophobicContact CB-CD1 3.19Å; F169-I173 HydrophobicContact CD1-CD1 4.27Å; F169-I173 HydrophobicContact CD1-CG2 4.24Å; F169-I173 HydrophobicContact CD2-CG2 4.48Å; F169-I173 HydrophobicContact CE1-CD1 4.08Å; F169-I173 HydrophobicContact CE1-CG2 3.81Å; F169-I173 HydrophobicContact CE2-CG2 4.08Å; F169-I173 HydrophobicContact CZ-CG2 3.71Å; F169-I173 WeakPolarHBondContact O-CG1 3.18Å; F169-I173 WeakPolarHBondContact O-CG2 3.16Å; F169-I173 PolarHBondContact O-N 2.96Å; E170-I173 WeakPolarHBondContact O-CG1 3.28Å; I173-K175 VanDerWaalsContact C-N 3.27Å; I173-K175 PolarHBondContact O-N 2.84Å; I173-A176 CarbonylContact O-C 3.28Å; I173-A176 VanDerWaalsContact O-C 3.28Å; I173-A176 PolarHBondContact O-N 3.05Å; I173-A176 VanDerWaalsContact O-N 3.12Å; I173-F179 HydrophobicContact CB-CD1 4.25Å; I173-F179 HydrophobicContact CG2-CD1 3.75Å; I173-F179 HydrophobicContact CG2-CE1 4.17Å; I173-F179 HydrophobicContact CG2-CG 4.45Å; I173-L180 HydrophobicContact CD1-CD1 4.45Å; I173-L180 HydrophobicContact CD1-CD2 4.4Å |
| 174 | A | 84.8 | Confident | 83.4 | Confident | 74 Ų | 74 | 53.7 Ų | 53.7 | 61% | 0.612 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.4 | -32.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E170 D171 M172 A176 | E170-A174 VanDerWaalsContact O-CB 3.27Å; E170-A174 WeakPolarHBondContact O-CB 3.41Å; E170-A174 PolarHBondContact O-N 3.26Å; D171-A174 PolarHBondContact O-N 2.95Å; M172-A174 VanDerWaalsContact C-N 3.29Å; M172-A174 PolarHBondContact O-N 2.79Å; A174-A176 VanDerWaalsContact C-N 3.34Å |
| 175 | K | 84.3 | Confident | 82.5 | Confident | 134 Ų | 134 | 54.6 Ų | 54.6 | 58% | 0.583 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -76.1 | -19.2 | 171.7 | -65.8 | 169.8 | -170.3 | 162.5 | 0 | 113.2 | D171 M172 I173 P177 | D171-K175 WeakPolarHBondContact O-CG 3.06Å; D171-K175 PolarHBondContact O-N 3.12Å; D171-K175 VanDerWaalsContact O-N 3.14Å; D171-K175 WeakPolarHBondContact OD2-CE 3.23Å; D171-K175 IonicContact OD2-NZ 2.61Å; D171-K175 PolarHBondContact OD2-NZ 3.45Å; M172-K175 PolarHBondContact O-N 3.49Å; I173-K175 VanDerWaalsContact C-N 3.27Å; I173-K175 PolarHBondContact O-N 2.84Å; K175-P177 VanDerWaalsContact C-CD 3.47Å; K175-P177 WeakPolarHBondContact O-CD 3.14Å |
| 176 | A | 82.7 | Confident | 81.3 | Confident | 42 Ų | 42 | 62.9 Ų | 62.9 | 35% | 0.347 | 34% | 0.342 | S | S | . | . | trans | -112.5 | 73 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M172 I173 A174 D178 F179 | M172-A176 PolarHBondContact O-N 3.43Å; I173-A176 CarbonylContact O-C 3.28Å; I173-A176 VanDerWaalsContact O-C 3.28Å; I173-A176 PolarHBondContact O-N 3.05Å; I173-A176 VanDerWaalsContact O-N 3.12Å; A174-A176 VanDerWaalsContact C-N 3.34Å; A176-D178 PolarHBondContact O-N 2.91Å; A176-F179 HydrophobicContact CB-CB 4.25Å; A176-F179 VanDerWaalsContact O-CB 3.29Å; A176-F179 WeakPolarHBondContact O-CB 3.29Å; A176-F179 PolarHBondContact O-N 2.91Å | ||
| 177 | P | 71.9 | Confident | 79.7 | Confident | 79 Ų | 79 | 65 Ų | 65 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.8 | -26.1 | -174.4 | 23.6 | -34 | 0 | 0 | 0 | 114 | K175 F179 | K175-P177 VanDerWaalsContact C-CD 3.47Å; K175-P177 WeakPolarHBondContact O-CD 3.14Å; P177-F179 VanDerWaalsContact C-N 3.3Å; P177-F179 PolarHBondContact O-N 2.8Å |
| 178 | D | 78.1 | Confident | 79 | Confident | 128 Ų | 128 | 65 Ų | 65 | 68% | 0.684 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -69.5 | -27.7 | 178.4 | -65.8 | -23.8 | 0 | 0 | 0 | 112.3 | A176 S181 T182 | A176-D178 PolarHBondContact O-N 2.91Å; D178-S181 WeakPolarHBondContact O-CB 3.25Å; D178-S181 PolarHBondContact O-N 2.93Å; D178-S181 PolarHBondContact O-OG 2.84Å; D178-T182 PolarHBondContact O-N 3.03Å |
| 179 | F | 76.6 | Confident | 78.3 | Confident | 50 Ų | 50 | 67.9 Ų | 67.9 | 22% | 0.219 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.7 | -56.4 | -179.1 | 179.2 | -96.7 | 0 | 0 | 0 | 111.4 | A111 Y115 I173 A176 P177 S181 T182 F183 | A111-F179 HydrophobicContact CB-CE1 4.1Å; A111-F179 HydrophobicContact CB-CZ 4.4Å; Y115-F179 HydrophobicContact CE2-CE1 4.4Å; Y115-F179 HydrophobicContact CE2-CE2 4Å; Y115-F179 AromaticContact CE2-CZ 3.48Å; Y115-F179 HydrophobicContact CE2-CZ 3.48Å; Y115-F179 VanDerWaalsContact CE2-CZ 3.48Å; Y115-F179 AromaticContact CZ-CE2 3.97Å; Y115-F179 AromaticContact CZ-CZ 3.83Å; Y115-F179 WeakPolarHBondContact OH-CE2 3.32Å; Y115-F179 VanDerWaalsContact OH-CZ 3.31Å; Y115-F179 WeakPolarHBondContact OH-CZ 3.4Å; I173-F179 HydrophobicContact CB-CD1 4.25Å; I173-F179 HydrophobicContact CG2-CD1 3.75Å; I173-F179 HydrophobicContact CG2-CE1 4.17Å; I173-F179 HydrophobicContact CG2-CG 4.45Å; A176-F179 HydrophobicContact CB-CB 4.25Å; A176-F179 VanDerWaalsContact O-CB 3.29Å; A176-F179 WeakPolarHBondContact O-CB 3.29Å; A176-F179 PolarHBondContact O-N 2.91Å; P177-F179 VanDerWaalsContact C-N 3.3Å; P177-F179 PolarHBondContact O-N 2.8Å; F179-S181 PolarHBondContact O-N 2.8Å; F179-T182 PolarHBondContact O-N 3.34Å; F179-T182 VanDerWaalsContact O-N 3.09Å; F179-T182 PolarHBondContact O-OG1 2.69Å; F179-F183 HydrophobicContact CE1-CD2 4.24Å; F179-F183 AromaticContact CZ-CD2 3.84Å; F179-F183 HydrophobicContact CZ-CD2 3.84Å; F179-F183 HydrophobicContact CZ-CE2 4.34Å; F179-F183 PolarHBondContact O-N 3.02Å; F179-F183 VanDerWaalsContact O-N 3.16Å |
| 180 | L | 68.7 | Low | 77.5 | Confident | 19 Ų | 19 | 71.3 Ų | 71.3 | 10% | 0.099 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.8 | -23.5 | 179.6 | -68.6 | 176.5 | 0 | 0 | 0 | 112.8 | R104 K107 I173 T182 | R104-L180 HydrophobicContact CB-CD1 3.86Å; R104-L180 HydrophobicContact CG-CD1 3.97Å; K107-L180 HydrophobicContact CB-CD2 4.07Å; I173-L180 HydrophobicContact CD1-CD1 4.45Å; I173-L180 HydrophobicContact CD1-CD2 4.4Å; L180-T182 VanDerWaalsContact C-N 3.31Å |
| 181 | S | 68.5 | Low | 76.7 | Confident | 65 Ų | 65 | 71.1 Ų | 71.1 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70.3 | -28.6 | 175.7 | 85.3 | 0 | 0 | 0 | 0 | 112.4 | D178 F179 H184 | D178-S181 WeakPolarHBondContact O-CB 3.25Å; D178-S181 PolarHBondContact O-N 2.93Å; D178-S181 PolarHBondContact O-OG 2.84Å; F179-S181 PolarHBondContact O-N 2.8Å; S181-H184 PolarHBondContact O-CE1 3.3Å; S181-H184 PolarHBondContact O-ND1 3.46Å |
| 182 | T | 71.1 | Confident | 75.9 | Confident | 104 Ų | 104 | 72.1 Ų | 72.1 | 64% | 0.638 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -91.8 | -17.2 | 177 | 61.2 | 0 | 0 | 0 | 0 | 112.6 | D178 F179 L180 H184 | D178-T182 PolarHBondContact O-N 3.03Å; F179-T182 PolarHBondContact O-N 3.34Å; F179-T182 VanDerWaalsContact O-N 3.09Å; F179-T182 PolarHBondContact O-OG1 2.69Å; L180-T182 VanDerWaalsContact C-N 3.31Å; T182-H184 VanDerWaalsContact C-N 3.26Å; T182-H184 PolarHBondContact O-N 3.22Å |
| 183 | F | 73.8 | Confident | 75 | Confident | 25 Ų | 25 | 73.3 Ų | 73.3 | 11% | 0.11 | 40% | 0.395 | C | S | . | . | trans | -80.3 | 62.4 | 177.6 | -152.7 | -93.8 | 0 | 0 | 0 | 112.8 | L98 K107 A111 I114 F179 | L98-F183 HydrophobicContact CD2-CD1 4.17Å; L98-F183 HydrophobicContact CD2-CE1 3.78Å; K107-F183 HydrophobicContact CB-CD1 4.44Å; A111-F183 HydrophobicContact CB-CD1 4.44Å; A111-F183 HydrophobicContact CB-CD2 4.41Å; A111-F183 HydrophobicContact CB-CE1 3.94Å; A111-F183 HydrophobicContact CB-CE2 3.91Å; A111-F183 HydrophobicContact CB-CZ 3.64Å; I114-F183 HydrophobicContact CD1-CE1 4.44Å; I114-F183 HydrophobicContact CD1-CZ 3.63Å; F179-F183 HydrophobicContact CE1-CD2 4.24Å; F179-F183 AromaticContact CZ-CD2 3.84Å; F179-F183 HydrophobicContact CZ-CD2 3.84Å; F179-F183 HydrophobicContact CZ-CE2 4.34Å; F179-F183 PolarHBondContact O-N 3.02Å; F179-F183 VanDerWaalsContact O-N 3.16Å | ||
| 184 | H | 74.7 | Confident | 74.1 | Confident | 57 Ų | 57 | 78 Ų | 78 | 26% | 0.264 | 42% | 0.421 | S | S | . | . | trans | -147.1 | 152.7 | 172.8 | 68 | -92.2 | 0 | 0 | 0 | 112.2 | L98 S181 T182 | L98-H184 CarbonylContact O-C 3.51Å; L98-H184 WeakPolarHBondContact O-CA 3.26Å; L98-H184 VanDerWaalsContact O-CB 3.31Å; L98-H184 WeakPolarHBondContact O-CB 3.38Å; S181-H184 PolarHBondContact O-CE1 3.3Å; S181-H184 PolarHBondContact O-ND1 3.46Å; T182-H184 VanDerWaalsContact C-N 3.26Å; T182-H184 PolarHBondContact O-N 3.22Å | ||
| 185 | I | 73.2 | Confident | 73.3 | Confident | 20 Ų | 20 | 78.3 Ų | 78.3 | 10% | 0.103 | 41% | 0.406 | C | S | . | . | trans | -118 | 133.3 | 174.9 | -61.1 | -170.7 | 0 | 0 | 0 | 108.9 | E64 L65 F95 L98 | E64-I185 HydrophobicContact CB-CG2 3.66Å; E64-I185 HydrophobicContact CG-CG2 4.13Å; L65-I185 HydrophobicContact CD2-CD1 3.39Å; L65-I185 HydrophobicContact CG-CD1 4.25Å; F95-I185 HydrophobicContact CD1-CG2 4.41Å; F95-I185 HydrophobicContact CE1-CG2 3.84Å; L98-I185 HydrophobicContact CB-CB 4.12Å; L98-I185 HydrophobicContact CB-CG1 4.18Å; L98-I185 HydrophobicContact CD1-CD1 3.56Å; L98-I185 HydrophobicContact CD1-CG1 4.05Å; L98-I185 PolarHBondContact O-N 3.41Å | ||
| 186 | R | 70.5 | Confident | 72.4 | Confident | 185 Ų | 185 | 73.7 Ų | 73.7 | 70% | 0.698 | 39% | 0.391 | S | S | * | . | trans | -98.2 | 131.4 | 176.3 | -63.2 | -176.6 | -179 | -171.6 | -4.6 | 109.8 | ||||
| 187 | I | 58.7 | Low | 71.4 | Confident | 110 Ų | 110 | 76.5 Ų | 76.5 | 56% | 0.564 | 40% | 0.395 | S | S | * | . | trans | -104.7 | 0 | 174.2 | -51.1 | 172.8 | 0 | 0 | 0 | 109.6 | F22 L30 F95 | F22-I187 HydrophobicContact CZ-CD1 4.39Å; L30-I187 HydrophobicContact CD2-CD1 3.58Å; L30-I187 HydrophobicContact CG-CD1 4.5Å; F95-I187 HydrophobicContact CB-CD1 3.61Å; F95-I187 HydrophobicContact CD1-CD1 3.13Å; F95-I187 HydrophobicContact CD1-CG1 3.45Å; F95-I187 VanDerWaalsContact CD1-CG1 3.45Å; F95-I187 HydrophobicContact CD2-CD1 4.15Å; F95-I187 HydrophobicContact CE1-CD1 3.76Å; F95-I187 HydrophobicContact CE1-CG1 3.64Å; F95-I187 HydrophobicContact CG-CD1 3.35Å; F95-I187 HydrophobicContact CG-CG1 4.18Å |
Retrieved 187 of 187 residues in 778.7 ms
(Link to these results)