| 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 | 37.8 | Very low | 216 Ų | 216 | 98.5 Ų | 98.5 | 100% | 1.064 | 55% | 0.548 | S | S | * | . | 0 | -44.1 | 0 | -67 | -171.6 | -154.6 | 0 | 0 | 113.2 | L3 | M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.33Å | |||
| 2 | A | 29.2 | Very low | 38.3 | Very low | 85 Ų | 85 | 103 Ų | 103 | 70% | 0.702 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.6 | -25.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 3 | L | 31.3 | Very low | 38.4 | Very low | 155 Ų | 155 | 106.5 Ų | 106.5 | 81% | 0.812 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -71.6 | -29.7 | -178.7 | -76 | 158.5 | 0 | 0 | 0 | 113.8 | M1 | M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.33Å |
| 4 | C | 37.1 | Very low | 38.8 | Very low | 74 Ų | 74 | 100.3 Ų | 100.3 | 50% | 0.5 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -73.6 | -38.1 | 179.7 | -68.7 | 0 | 0 | 0 | 0 | 112 | G6 Q7 V8 | C4-G6 VanDerWaalsContact C-N 3.26Å; C4-G6 PolarHBondContact O-N 2.95Å; C4-Q7 PolarHBondContact O-N 3.23Å; C4-Q7 VanDerWaalsContact O-N 3.15Å; C4-V8 WeakPolarHBondContact O-CG2 3.29Å; C4-V8 PolarHBondContact O-N 3.4Å |
| 5 | L | 38 | Very low | 39.2 | Very low | 64 Ų | 64 | 100.3 Ų | 100.3 | 34% | 0.335 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.9 | -34.9 | 176.7 | -73.2 | 164.1 | 0 | 0 | 0 | 112 | Q7 V8 F9 | L5-Q7 VanDerWaalsContact C-N 3.33Å; L5-Q7 PolarHBondContact O-N 3.45Å; L5-V8 PolarHBondContact O-N 2.8Å; L5-F9 HydrophobicContact CD2-CE2 4.14Å; L5-F9 VanDerWaalsContact O-CD2 3.32Å; L5-F9 WeakPolarHBondContact O-CD2 3.14Å; L5-F9 PolarHBondContact O-N 2.61Å; L5-F9 VanDerWaalsContact O-N 3.08Å |
| 6 | G | 33 | Very low | 39.8 | Very low | 53 Ų | 53 | 101.9 Ų | 101.9 | 55% | 0.546 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67 | -29.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | C4 S10 | C4-G6 VanDerWaalsContact C-N 3.26Å; C4-G6 PolarHBondContact O-N 2.95Å; G6-S10 PolarHBondContact O-N 3.49Å |
| 7 | Q | 40.3 | Very low | 40 | Very low | 150 Ų | 150 | 96.8 Ų | 96.8 | 70% | 0.701 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -81.8 | -35.8 | 174.2 | -75.6 | -176.6 | -28.4 | 0 | 0 | 112.3 | C4 L5 F9 S10 | C4-Q7 PolarHBondContact O-N 3.23Å; C4-Q7 VanDerWaalsContact O-N 3.15Å; L5-Q7 VanDerWaalsContact C-N 3.33Å; L5-Q7 PolarHBondContact O-N 3.45Å; Q7-F9 VanDerWaalsContact C-N 3.33Å; Q7-F9 PolarHBondContact O-N 3.21Å; Q7-S10 WeakPolarHBondContact O-CB 3.47Å; Q7-S10 PolarHBondContact O-N 3.1Å; Q7-S10 VanDerWaalsContact O-N 3.13Å |
| 8 | V | 43.4 | Very low | 40.3 | Very low | 27 Ų | 27 | 104.9 Ų | 104.9 | 16% | 0.164 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -66.3 | -34.8 | 178.1 | 174.3 | 0 | 0 | 0 | 0 | 112 | C4 L5 T77 M176 | C4-V8 WeakPolarHBondContact O-CG2 3.29Å; C4-V8 PolarHBondContact O-N 3.4Å; L5-V8 PolarHBondContact O-N 2.8Å; V8-T77 HydrophobicContact CG1-CG2 3.25Å; V8-M176 HydrophobicContact CB-CE 4.15Å; V8-M176 HydrophobicContact CG1-CE 3.68Å; V8-M176 HydrophobicContact CG2-CE 3.25Å |
| 9 | F | 46.7 | Very low | 41 | Very low | 80 Ų | 80 | 102 Ų | 102 | 35% | 0.351 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 32.2 | 171.5 | -59.3 | -71.7 | 0 | 0 | 0 | 112.2 | L5 Q7 K11 L73 | L5-F9 HydrophobicContact CD2-CE2 4.14Å; L5-F9 VanDerWaalsContact O-CD2 3.32Å; L5-F9 WeakPolarHBondContact O-CD2 3.14Å; L5-F9 PolarHBondContact O-N 2.61Å; L5-F9 VanDerWaalsContact O-N 3.08Å; Q7-F9 VanDerWaalsContact C-N 3.33Å; Q7-F9 PolarHBondContact O-N 3.21Å; F9-K11 PolarHBondContact O-N 3.32Å; F9-L73 HydrophobicContact CD1-CB 4.27Å; F9-L73 HydrophobicContact CD1-CD1 4.18Å; F9-L73 HydrophobicContact CD1-CD2 4.39Å; F9-L73 HydrophobicContact CE1-CB 4.1Å; F9-L73 HydrophobicContact CE1-CD1 4.32Å |
| 10 | S | 39 | Very low | 41.9 | Very low | 26 Ų | 26 | 106.8 Ų | 106.8 | 18% | 0.182 | 53% | 0.525 | C | S | . | . | trans | -51.1 | 119.4 | 173.1 | 163.7 | 0 | 0 | 0 | 0 | 109.4 | G6 Q7 D12 K13 T14 | G6-S10 PolarHBondContact O-N 3.49Å; Q7-S10 WeakPolarHBondContact O-CB 3.47Å; Q7-S10 PolarHBondContact O-N 3.1Å; Q7-S10 VanDerWaalsContact O-N 3.13Å; S10-D12 PolarHBondContact O-N 3.43Å; S10-D12 PolarHBondContact OG-N 3.2Å; S10-K13 PolarHBondContact O-N 3.18Å; S10-T14 PolarHBondContact O-N 3.26Å; S10-T14 PolarHBondContact O-OG1 3.42Å | ||
| 11 | K | 43.8 | Very low | 43.1 | Very low | 154 Ų | 154 | 103.5 Ų | 103.5 | 67% | 0.67 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -13.7 | 179.7 | -91.3 | -177.1 | -178.2 | 174.1 | 0 | 113.6 | F9 R16 | F9-K11 PolarHBondContact O-N 3.32Å; K11-R16 VanDerWaalsContact CB-NH2 3.27Å; K11-R16 PolarHBondContact O-NH2 3.14Å |
| 12 | D | 43.2 | Very low | 45 | Very low | 152 Ų | 152 | 99.2 Ų | 99.2 | 81% | 0.813 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -17.6 | -173 | -50.6 | -39.8 | 0 | 0 | 0 | 112.6 | S10 | S10-D12 PolarHBondContact O-N 3.43Å; S10-D12 PolarHBondContact OG-N 3.2Å |
| 13 | K | 40.5 | Very low | 47.3 | Very low | 148 Ų | 148 | 100.1 Ų | 100.1 | 64% | 0.643 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -15.3 | 178.6 | -71.9 | -174 | 169.7 | -172.1 | 0 | 114.3 | S10 E80 | S10-K13 PolarHBondContact O-N 3.18Å; K13-E80 IonicContact NZ-OE1 2.71Å; K13-E80 PolarHBondContact NZ-OE1 2.73Å |
| 14 | T | 43.1 | Very low | 49.3 | Very low | 20 Ų | 20 | 96.1 Ų | 96.1 | 12% | 0.123 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -96.3 | 112.2 | -179.5 | 48.3 | 0 | 0 | 0 | 0 | 109.9 | S10 R16 L73 | S10-T14 PolarHBondContact O-N 3.26Å; S10-T14 PolarHBondContact O-OG1 3.42Å; T14-R16 PolarHBondContact O-N 3.16Å; T14-L73 HydrophobicContact CG2-CD2 3.46Å; T14-L73 VanDerWaalsContact CG2-CD2 3.46Å |
| 15 | F | 44.8 | Very low | 51.5 | Low | 100 Ų | 100 | 94 Ų | 94 | 44% | 0.439 | 47% | 0.465 | S | S | . | . | trans | -54.6 | 127.4 | 176.5 | -177.1 | -104.3 | 0 | 0 | 0 | 110.4 | N72 E126 | F15-N72 PolarHBondContact O-ND2 3.12Å; F15-E126 HydrophobicContact CE1-CB 4.23Å; F15-E126 HydrophobicContact CE1-CG 3.79Å; F15-E126 WeakPolarHBondContact CE1-OE2 3.32Å; F15-E126 VanDerWaalsContact CZ-CD 3.41Å; F15-E126 HydrophobicContact CZ-CG 4.43Å; F15-E126 WeakPolarHBondContact CZ-OE2 3.39Å | ||
| 16 | R | 49.1 | Very low | 53.5 | Low | 126 Ų | 126 | 95.5 Ų | 95.5 | 48% | 0.475 | 47% | 0.47 | S | S | . | . | trans | -107.2 | 130.9 | -177.7 | -64.5 | -173.5 | -170.8 | 168.1 | 10.9 | 109.6 | K11 T14 R18 | K11-R16 VanDerWaalsContact CB-NH2 3.27Å; K11-R16 PolarHBondContact O-NH2 3.14Å; T14-R16 PolarHBondContact O-N 3.16Å; R16-R18 PolarHBondContact O-N 2.87Å | ||
| 17 | P | 43.9 | Very low | 55.8 | Low | 16 Ų | 16 | 94.4 Ų | 94.4 | 10% | 0.104 | 45% | 0.45 | C | S | . | . | trans | -62.3 | 139.3 | 163.2 | 17 | -16.5 | 0 | 0 | 0 | 109.6 | K19 F68 N69 E126 I129 | P17-K19 PolarHBondContact O-N 3.34Å; P17-F68 HydrophobicContact CB-CE1 4.24Å; P17-F68 HydrophobicContact CG-CD1 4.22Å; P17-F68 HydrophobicContact CG-CE1 3.95Å; P17-N69 WeakPolarHBondContact CD-OD1 3.45Å; P17-N69 WeakPolarHBondContact CG-OD1 3.27Å; P17-E126 HydrophobicContact CB-CG 4.47Å; P17-I129 HydrophobicContact CB-CD1 4.3Å | ||
| 18 | R | 45.3 | Very low | 57.7 | Low | 242 Ų | 242 | 89.4 Ų | 89.4 | 91% | 0.913 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -65.6 | -20.6 | 173.6 | -68.8 | -173.8 | 171.6 | -154.6 | -1.1 | 112.5 | R16 R20 | R16-R18 PolarHBondContact O-N 2.87Å; R18-R20 PolarHBondContact O-N 3.39Å |
| 19 | K | 53.3 | Low | 59.6 | Low | 50 Ų | 50 | 91.8 Ų | 91.8 | 22% | 0.217 | 44% | 0.435 | C | S | . | . | trans | -83.2 | 101.4 | 180 | -119.1 | 175.6 | -170.5 | 174.3 | 0 | 111.8 | P17 I129 F135 T137 | P17-K19 PolarHBondContact O-N 3.34Å; K19-I129 WeakPolarHBondContact CD-O 3.18Å; K19-I129 PolarHBondContact NZ-O 3.25Å; K19-F135 PolarHBondContact NZ-O 3Å; K19-T137 HydrophobicContact CD-CG2 4.41Å | ||
| 20 | R | 59.1 | Low | 61.2 | Low | 198 Ų | 198 | 88 Ų | 88 | 75% | 0.747 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -90.6 | 138.5 | 155.9 | -68.7 | -178.2 | 177.3 | -170.9 | -1.7 | 107.4 | R18 E22 | R18-R20 PolarHBondContact O-N 3.39Å; R20-E22 PolarHBondContact O-N 3.24Å |
| 21 | F | 66.9 | Low | 63.2 | Low | 37 Ų | 37 | 90.2 Ų | 90.2 | 16% | 0.162 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 124.8 | 167.7 | -61.2 | -67.8 | 0 | 0 | 0 | 108.1 | R27 F28 Y31 V62 V65 | F21-R27 HydrophobicContact CD1-CB 3.74Å; F21-R27 HydrophobicContact CE1-CB 4.16Å; F21-F28 HydrophobicContact CB-CB 3.88Å; F21-F28 HydrophobicContact CB-CD2 3.99Å; F21-F28 HydrophobicContact CB-CG 4.46Å; F21-F28 VanDerWaalsContact O-CD2 3.22Å; F21-F28 WeakPolarHBondContact O-CD2 3.5Å; F21-Y31 HydrophobicContact CD2-CD1 4.23Å; F21-Y31 AromaticContact CD2-CD2 3.94Å; F21-Y31 HydrophobicContact CD2-CD2 3.94Å; F21-Y31 AromaticContact CD2-CG 3.66Å; F21-Y31 HydrophobicContact CD2-CG 3.66Å; F21-Y31 AromaticContact CE2-CD2 3.78Å; F21-Y31 HydrophobicContact CE2-CD2 3.78Å; F21-Y31 AromaticContact CE2-CG 3.97Å; F21-Y31 HydrophobicContact CE2-CG 3.97Å; F21-V62 HydrophobicContact CE1-CG2 4.04Å; F21-V62 HydrophobicContact CE2-CG1 4.37Å; F21-V62 HydrophobicContact CZ-CB 4.24Å; F21-V62 HydrophobicContact CZ-CG1 4.39Å; F21-V62 HydrophobicContact CZ-CG2 4.01Å; F21-V65 HydrophobicContact CE2-CB 4.43Å; F21-V65 HydrophobicContact CE2-CG1 4.19Å; F21-V65 HydrophobicContact CZ-CB 3.84Å; F21-V65 HydrophobicContact CZ-CG1 3.93Å; F21-V65 HydrophobicContact CZ-CG2 4.24Å |
| 22 | E | 74.6 | Confident | 65 | Low | 126 Ų | 126 | 87.6 Ų | 87.6 | 59% | 0.589 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 129.1 | -175.4 | -69.6 | -177.7 | 175 | 0 | 0 | 110 | R20 G24 T25 F28 | R20-E22 PolarHBondContact O-N 3.24Å; E22-G24 PolarHBondContact O-N 3.15Å; E22-T25 HydrophobicContact CB-CG2 3.85Å; E22-T25 WeakPolarHBondContact O-CB 3.37Å; E22-T25 WeakPolarHBondContact O-CG2 3.43Å; E22-T25 PolarHBondContact O-N 3.39Å; E22-T25 VanDerWaalsContact O-N 3.16Å; E22-T25 PolarHBondContact O-OG1 2.81Å; E22-F28 WeakPolarHBondContact O-CB 3.22Å |
| 23 | P | 76.2 | Confident | 66.7 | Low | 104 Ų | 104 | 85 Ų | 85 | 68% | 0.675 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 136.2 | 175.6 | -26.9 | 35.1 | 0 | 0 | 0 | 112.1 | F28 | P23-F28 HydrophobicContact CB-CD1 4.42Å; P23-F28 HydrophobicContact CB-CE1 4.09Å; P23-F28 HydrophobicContact CB-CZ 4.18Å; P23-F28 HydrophobicContact CG-CE2 4.23Å; P23-F28 HydrophobicContact CG-CZ 4.18Å |
| 24 | G | 74.8 | Confident | 68.3 | Low | 71 Ų | 71 | 78.3 Ų | 78.3 | 73% | 0.732 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.2 | -0.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E22 | E22-G24 PolarHBondContact O-N 3.15Š|
| 25 | T | 81.8 | Confident | 69.9 | Low | 29 Ų | 29 | 79 Ų | 79 | 18% | 0.178 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -90.5 | 153.5 | 171.9 | 65.1 | 0 | 0 | 0 | 0 | 112.2 | E22 R27 F28 E29 | E22-T25 HydrophobicContact CB-CG2 3.85Å; E22-T25 WeakPolarHBondContact O-CB 3.37Å; E22-T25 WeakPolarHBondContact O-CG2 3.43Å; E22-T25 PolarHBondContact O-N 3.39Å; E22-T25 VanDerWaalsContact O-N 3.16Å; E22-T25 PolarHBondContact O-OG1 2.81Å; T25-R27 VanDerWaalsContact C-N 3.26Å; T25-R27 PolarHBondContact O-N 3.44Å; T25-F28 WeakPolarHBondContact O-CB 3.38Å; T25-F28 PolarHBondContact O-N 2.71Å; T25-F28 VanDerWaalsContact O-N 3.07Å; T25-F28 WeakPolarHBondContact OG1-CB 3.13Å; T25-F28 PolarHBondContact OG1-N 3.09Å; T25-E29 PolarHBondContact O-N 2.99Å; T25-E29 VanDerWaalsContact O-N 3.12Å |
| 26 | Q | 81 | Confident | 71.2 | Confident | 97 Ų | 97 | 77 Ų | 77 | 45% | 0.453 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -55.2 | -42.1 | 175.2 | -177 | 177.7 | 5.3 | 0 | 0 | 111.9 | F28 E29 L30 E54 | Q26-F28 VanDerWaalsContact C-N 3.33Å; Q26-F28 PolarHBondContact O-N 3.05Å; Q26-E29 PolarHBondContact O-N 3.02Å; Q26-L30 HydrophobicContact CG-CD1 4.36Å; Q26-L30 WeakPolarHBondContact O-CG 3.43Å; Q26-L30 PolarHBondContact O-N 2.87Å; Q26-E54 PolarHBondContact NE2-OE2 3.02Å |
| 27 | R | 80.3 | Confident | 72.2 | Confident | 29 Ų | 29 | 72.9 Ų | 72.9 | 11% | 0.109 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.6 | -34.1 | 177.7 | -68 | -170.8 | -169.6 | 145.4 | 15.4 | 113.3 | F21 T25 L30 Y31 D58 V62 P136 | F21-R27 HydrophobicContact CD1-CB 3.74Å; F21-R27 HydrophobicContact CE1-CB 4.16Å; T25-R27 VanDerWaalsContact C-N 3.26Å; T25-R27 PolarHBondContact O-N 3.44Å; R27-L30 PolarHBondContact O-N 3.31Å; R27-Y31 WeakPolarHBondContact O-CB 3.42Å; R27-Y31 PolarHBondContact O-N 3.05Å; R27-D58 HydrophobicContact CG-CB 4.4Å; R27-D58 IonicContact CZ-OD1 3.92Å; R27-D58 VanDerWaalsContact CZ-OD1 3.31Å; R27-D58 IonicContact NE-OD1 2.74Å; R27-D58 PolarHBondContact NE-OD1 3.32Å; R27-D58 IonicContact NH2-OD1 2.73Å; R27-D58 PolarHBondContact NH2-OD1 2.84Å; R27-V62 HydrophobicContact CB-CG2 3.93Å; R27-V62 HydrophobicContact CG-CG2 4.21Å; R27-P136 PolarHBondContact NH1-O 3.18Å; R27-P136 PolarHBondContact NH2-O 3.16Å |
| 28 | F | 81.6 | Confident | 73.5 | Confident | 45 Ų | 45 | 73.8 Ų | 73.8 | 20% | 0.197 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 174 | 178.2 | -101.1 | 0 | 0 | 0 | 111.7 | F21 E22 P23 T25 Q26 Y31 K32 | F21-F28 HydrophobicContact CB-CB 3.88Å; F21-F28 HydrophobicContact CB-CD2 3.99Å; F21-F28 HydrophobicContact CB-CG 4.46Å; F21-F28 VanDerWaalsContact O-CD2 3.22Å; F21-F28 WeakPolarHBondContact O-CD2 3.5Å; E22-F28 WeakPolarHBondContact O-CB 3.22Å; P23-F28 HydrophobicContact CB-CD1 4.42Å; P23-F28 HydrophobicContact CB-CE1 4.09Å; P23-F28 HydrophobicContact CB-CZ 4.18Å; P23-F28 HydrophobicContact CG-CE2 4.23Å; P23-F28 HydrophobicContact CG-CZ 4.18Å; T25-F28 WeakPolarHBondContact O-CB 3.38Å; T25-F28 PolarHBondContact O-N 2.71Å; T25-F28 VanDerWaalsContact O-N 3.07Å; T25-F28 WeakPolarHBondContact OG1-CB 3.13Å; T25-F28 PolarHBondContact OG1-N 3.09Å; Q26-F28 VanDerWaalsContact C-N 3.33Å; Q26-F28 PolarHBondContact O-N 3.05Å; F28-Y31 PolarHBondContact O-N 3.07Å; F28-K32 HydrophobicContact CD1-CD 3.87Å; F28-K32 HydrophobicContact CE1-CD 3.32Å; F28-K32 HydrophobicContact CE1-CG 4.27Å; F28-K32 HydrophobicContact CE2-CD 4.42Å; F28-K32 HydrophobicContact CZ-CD 3.65Å; F28-K32 HydrophobicContact CZ-CG 4.31Å; F28-K32 PolarHBondContact O-N 3.43Å |
| 29 | E | 82.4 | Confident | 74.7 | Confident | 77 Ų | 77 | 70.3 Ų | 70.3 | 36% | 0.36 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.3 | -39.8 | 175.1 | -66.7 | -52.1 | 137.9 | 0 | 0 | 112.1 | T25 Q26 Y31 K32 K33 | T25-E29 PolarHBondContact O-N 2.99Å; T25-E29 VanDerWaalsContact O-N 3.12Å; Q26-E29 PolarHBondContact O-N 3.02Å; E29-Y31 PolarHBondContact O-N 3.48Å; E29-K32 PolarHBondContact O-N 3.23Å; E29-K32 IonicContact OE1-NZ 3.05Å; E29-K32 IonicContact OE2-NZ 3.31Å; E29-K33 WeakPolarHBondContact O-CG 3.28Å; E29-K33 PolarHBondContact O-N 3.37Å |
| 30 | L | 80.6 | Confident | 75.3 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 171.8 | -75 | 175.6 | 0 | 0 | 0 | 112 | Q26 R27 K32 K33 A34 E54 D58 W59 V62 | Q26-L30 HydrophobicContact CG-CD1 4.36Å; Q26-L30 WeakPolarHBondContact O-CG 3.43Å; Q26-L30 PolarHBondContact O-N 2.87Å; R27-L30 PolarHBondContact O-N 3.31Å; L30-K32 VanDerWaalsContact C-N 3.35Å; L30-K32 PolarHBondContact O-N 2.78Å; L30-K33 PolarHBondContact O-N 3.37Å; L30-A34 WeakPolarHBondContact O-CB 3.27Å; L30-A34 PolarHBondContact O-N 2.88Å; L30-E54 HydrophobicContact CD2-CB 4.32Å; L30-E54 VanDerWaalsContact CD2-CD 3.49Å; L30-E54 HydrophobicContact CD2-CG 3.77Å; L30-D58 HydrophobicContact CD1-CB 4Å; L30-W59 HydrophobicContact CB-CE3 4.29Å; L30-W59 HydrophobicContact CB-CZ3 4.27Å; L30-W59 HydrophobicContact CD2-CE3 3.87Å; L30-W59 HydrophobicContact CD2-CZ3 3.97Å; L30-W59 HydrophobicContact CG-CE3 4.46Å; L30-V62 HydrophobicContact CB-CG2 4.06Å |
| 31 | Y | 80.8 | Confident | 75.6 | Confident | 73 Ų | 73 | 65.5 Ų | 65.5 | 29% | 0.286 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.8 | -45.8 | 175.1 | 172.6 | -103.4 | 0 | 0 | 0 | 111.5 | F21 R27 F28 E29 A34 Q35 V62 | F21-Y31 HydrophobicContact CD2-CD1 4.23Å; F21-Y31 AromaticContact CD2-CD2 3.94Å; F21-Y31 HydrophobicContact CD2-CD2 3.94Å; F21-Y31 AromaticContact CD2-CG 3.66Å; F21-Y31 HydrophobicContact CD2-CG 3.66Å; F21-Y31 AromaticContact CE2-CD2 3.78Å; F21-Y31 HydrophobicContact CE2-CD2 3.78Å; F21-Y31 AromaticContact CE2-CG 3.97Å; F21-Y31 HydrophobicContact CE2-CG 3.97Å; R27-Y31 WeakPolarHBondContact O-CB 3.42Å; R27-Y31 PolarHBondContact O-N 3.05Å; F28-Y31 PolarHBondContact O-N 3.07Å; E29-Y31 PolarHBondContact O-N 3.48Å; Y31-A34 PolarHBondContact O-N 3.29Å; Y31-Q35 HydrophobicContact CD1-CG 4.41Å; Y31-Q35 HydrophobicContact CD2-CG 4.13Å; Y31-Q35 HydrophobicContact CE1-CG 3.98Å; Y31-Q35 HydrophobicContact CE2-CG 3.67Å; Y31-Q35 HydrophobicContact CG-CG 4.48Å; Y31-Q35 WeakPolarHBondContact O-CB 3.44Å; Y31-Q35 VanDerWaalsContact O-CG 3.27Å; Y31-Q35 WeakPolarHBondContact O-CG 3.3Å; Y31-Q35 PolarHBondContact O-N 2.89Å; Y31-V62 HydrophobicContact CD2-CG1 4.31Å |
| 32 | K | 82.1 | Confident | 75.7 | Confident | 100 Ų | 100 | 68.3 Ų | 68.3 | 44% | 0.435 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 177.1 | -79.8 | 176.7 | 63.8 | -157.4 | 0 | 112.5 | F28 E29 L30 Q35 A36 | F28-K32 HydrophobicContact CD1-CD 3.87Å; F28-K32 HydrophobicContact CE1-CD 3.32Å; F28-K32 HydrophobicContact CE1-CG 4.27Å; F28-K32 HydrophobicContact CE2-CD 4.42Å; F28-K32 HydrophobicContact CZ-CD 3.65Å; F28-K32 HydrophobicContact CZ-CG 4.31Å; F28-K32 PolarHBondContact O-N 3.43Å; E29-K32 PolarHBondContact O-N 3.23Å; E29-K32 IonicContact OE1-NZ 3.05Å; E29-K32 IonicContact OE2-NZ 3.31Å; L30-K32 VanDerWaalsContact C-N 3.35Å; L30-K32 PolarHBondContact O-N 2.78Å; K32-Q35 PolarHBondContact O-N 2.96Å; K32-A36 WeakPolarHBondContact O-CB 3.47Å; K32-A36 PolarHBondContact O-N 2.94Å |
| 33 | K | 78.6 | Confident | 76.2 | Confident | 98 Ų | 98 | 66.1 Ų | 66.1 | 43% | 0.426 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.2 | -52 | 175.3 | -73.1 | 174.5 | -175.3 | 177.7 | 0 | 110.3 | E29 L30 Q35 A36 S37 E54 | E29-K33 WeakPolarHBondContact O-CG 3.28Å; E29-K33 PolarHBondContact O-N 3.37Å; L30-K33 PolarHBondContact O-N 3.37Å; K33-Q35 VanDerWaalsContact C-N 3.35Å; K33-Q35 PolarHBondContact O-N 3.41Å; K33-A36 PolarHBondContact O-N 2.88Å; K33-S37 PolarHBondContact O-N 3.44Å; K33-S37 PolarHBondContact O-OG 3.09Å; K33-E54 IonicContact NZ-OE1 3.37Å; K33-E54 PolarHBondContact NZ-OE1 3.45Å |
| 34 | A | 74.1 | Confident | 76.7 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 6% | 0.058 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58 | -44.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L30 Y31 S37 L38 W59 | L30-A34 WeakPolarHBondContact O-CB 3.27Å; L30-A34 PolarHBondContact O-N 2.88Å; Y31-A34 PolarHBondContact O-N 3.29Å; A34-S37 PolarHBondContact O-N 3.1Å; A34-L38 PolarHBondContact O-N 2.97Å; A34-L38 VanDerWaalsContact O-N 3.07Å; A34-W59 HydrophobicContact CB-CH2 3.93Å; A34-W59 HydrophobicContact CB-CZ3 4.22Å |
| 35 | Q | 77.5 | Confident | 77.4 | Confident | 33 Ų | 33 | 64.2 Ų | 64.2 | 15% | 0.154 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68 | -37.1 | 179.2 | -71.6 | -64.9 | -40.8 | 0 | 0 | 113.3 | Y31 K32 K33 K39 D66 | Y31-Q35 HydrophobicContact CD1-CG 4.41Å; Y31-Q35 HydrophobicContact CD2-CG 4.13Å; Y31-Q35 HydrophobicContact CE1-CG 3.98Å; Y31-Q35 HydrophobicContact CE2-CG 3.67Å; Y31-Q35 HydrophobicContact CG-CG 4.48Å; Y31-Q35 WeakPolarHBondContact O-CB 3.44Å; Y31-Q35 VanDerWaalsContact O-CG 3.27Å; Y31-Q35 WeakPolarHBondContact O-CG 3.3Å; Y31-Q35 PolarHBondContact O-N 2.89Å; K32-Q35 PolarHBondContact O-N 2.96Å; K33-Q35 VanDerWaalsContact C-N 3.35Å; K33-Q35 PolarHBondContact O-N 3.41Å; Q35-K39 WeakPolarHBondContact O-CG 3.38Å; Q35-K39 PolarHBondContact O-N 3.41Å; Q35-D66 PolarHBondContact NE2-OD1 3.39Å |
| 36 | A | 70.8 | Confident | 77.8 | Confident | 60 Ų | 60 | 69.7 Ų | 69.7 | 50% | 0.496 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.9 | -46.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | K32 K33 L38 K39 S40 | K32-A36 WeakPolarHBondContact O-CB 3.47Å; K32-A36 PolarHBondContact O-N 2.94Å; K33-A36 PolarHBondContact O-N 2.88Å; A36-L38 VanDerWaalsContact C-N 3.32Å; A36-L38 PolarHBondContact O-N 3.3Å; A36-K39 PolarHBondContact O-N 2.97Å; A36-K39 VanDerWaalsContact O-N 3.14Å; A36-S40 PolarHBondContact O-N 2.76Å; A36-S40 PolarHBondContact O-OG 3.18Å |
| 37 | S | 70.6 | Confident | 78.1 | Confident | 39 Ų | 39 | 65.7 Ų | 65.7 | 27% | 0.273 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.8 | -34.5 | 179.3 | -61.7 | 0 | 0 | 0 | 0 | 113.2 | K33 A34 K39 S40 | K33-S37 PolarHBondContact O-N 3.44Å; K33-S37 PolarHBondContact O-OG 3.09Å; A34-S37 PolarHBondContact O-N 3.1Å; S37-K39 VanDerWaalsContact C-N 3.32Å; S37-K39 PolarHBondContact O-N 2.94Å; S37-S40 PolarHBondContact O-OG 3.43Å |
| 38 | L | 72 | Confident | 78.8 | Confident | 35 Ų | 35 | 64.3 Ų | 64.3 | 18% | 0.183 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.4 | -35.2 | 174.1 | -177.1 | 61.4 | 0 | 0 | 0 | 112.3 | A34 A36 L44 | A34-L38 PolarHBondContact O-N 2.97Å; A34-L38 VanDerWaalsContact O-N 3.07Å; A36-L38 VanDerWaalsContact C-N 3.32Å; A36-L38 PolarHBondContact O-N 3.3Å; L38-L44 HydrophobicContact CD1-CD2 3.38Å |
| 39 | K | 69.3 | Low | 79.5 | Confident | 169 Ų | 169 | 66.9 Ų | 66.9 | 74% | 0.735 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -80.5 | -22.4 | -177.5 | -71.8 | 174.8 | -176.4 | -179.2 | 0 | 113.8 | Q35 A36 S37 G41 | Q35-K39 WeakPolarHBondContact O-CG 3.38Å; Q35-K39 PolarHBondContact O-N 3.41Å; A36-K39 PolarHBondContact O-N 2.97Å; A36-K39 VanDerWaalsContact O-N 3.14Å; S37-K39 VanDerWaalsContact C-N 3.32Å; S37-K39 PolarHBondContact O-N 2.94Å; K39-G41 VanDerWaalsContact C-N 3.25Å; K39-G41 PolarHBondContact O-N 3.06Å |
| 40 | S | 66 | Low | 80.1 | Confident | 75 Ų | 75 | 66.1 Ų | 66.1 | 52% | 0.524 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 5.8 | -177.6 | 56.5 | 0 | 0 | 0 | 0 | 114.3 | A36 S37 L42 | A36-S40 PolarHBondContact O-N 2.76Å; A36-S40 PolarHBondContact O-OG 3.18Å; S37-S40 PolarHBondContact O-OG 3.43Å; S40-L42 PolarHBondContact O-N 3.28Å; S40-L42 VanDerWaalsContact OG-CD1 3.23Å; S40-L42 WeakPolarHBondContact OG-CD1 3.44Å; S40-L42 VanDerWaalsContact OG-CG 3.3Å; S40-L42 WeakPolarHBondContact OG-CG 3.48Å |
| 41 | G | 64.8 | Low | 80.8 | Confident | 72 Ų | 72 | 68 Ų | 68 | 74% | 0.742 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 20.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K39 | K39-G41 VanDerWaalsContact C-N 3.25Å; K39-G41 PolarHBondContact O-N 3.06Å |
| 42 | L | 69.1 | Low | 81.4 | Confident | 95 Ų | 95 | 73.9 Ų | 73.9 | 50% | 0.497 | 39% | 0.388 | S | S | . | . | trans | -66.3 | 154.7 | 175.7 | -72.8 | 168 | 0 | 0 | 0 | 110.7 | S40 L44 V47 | S40-L42 PolarHBondContact O-N 3.28Å; S40-L42 VanDerWaalsContact OG-CD1 3.23Å; S40-L42 WeakPolarHBondContact OG-CD1 3.44Å; S40-L42 VanDerWaalsContact OG-CG 3.3Å; S40-L42 WeakPolarHBondContact OG-CG 3.48Å; L42-L44 PolarHBondContact O-N 3.11Å; L42-V47 HydrophobicContact CB-CG2 3.85Å | ||
| 43 | D | 85.1 | Confident | 81.9 | Confident | 81 Ų | 81 | 73 Ų | 73 | 43% | 0.433 | 41% | 0.408 | S | S | . | . | trans | -55.3 | 113.4 | 171.5 | 178.5 | 1.4 | 0 | 0 | 0 | 110 | R45 K46 V47 | D43-R45 PolarHBondContact O-N 3.32Å; D43-R45 VanDerWaalsContact O-N 3.07Å; D43-R45 WeakPolarHBondContact OD1-CB 3.35Å; D43-R45 PolarHBondContact OD1-N 2.93Å; D43-K46 HydrophobicContact CB-CD 4.42Å; D43-K46 HydrophobicContact CB-CG 4.31Å; D43-K46 WeakPolarHBondContact O-CA 3.35Å; D43-K46 WeakPolarHBondContact O-CB 3.26Å; D43-K46 PolarHBondContact O-N 3.46Å; D43-V47 PolarHBondContact O-N 3.06Å; D43-V47 VanDerWaalsContact O-N 3.16Å | ||
| 44 | L | 87.7 | Confident | 82.7 | Confident | 23 Ų | 23 | 70.1 Ų | 70.1 | 12% | 0.12 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -56.8 | -26.7 | -177.2 | -68.5 | 175.7 | 0 | 0 | 0 | 112.5 | L38 L42 K46 V47 V48 K187 H188 Y191 | L38-L44 HydrophobicContact CD1-CD2 3.38Å; L42-L44 PolarHBondContact O-N 3.11Å; L44-K46 VanDerWaalsContact C-N 3.3Å; L44-K46 PolarHBondContact O-N 2.95Å; L44-V47 PolarHBondContact O-N 3.01Å; L44-V48 WeakPolarHBondContact O-CG1 3Å; L44-V48 PolarHBondContact O-N 2.96Å; L44-K187 HydrophobicContact CD1-CB 4.08Å; L44-K187 HydrophobicContact CD1-CD 3.86Å; L44-K187 HydrophobicContact CD1-CG 3.72Å; L44-H188 HydrophobicContact CD2-CB 4.49Å; L44-Y191 HydrophobicContact CB-CD2 3.53Å; L44-Y191 HydrophobicContact CB-CE2 3.81Å |
| 45 | R | 90.2 | Very high | 83.7 | Confident | 111 Ų | 111 | 73.2 Ų | 73.2 | 42% | 0.419 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.1 | -36.3 | 174.6 | -65.5 | -177.8 | 179.8 | -91.4 | 4.1 | 111.8 | D43 V48 Q49 Y191 | D43-R45 PolarHBondContact O-N 3.32Å; D43-R45 VanDerWaalsContact O-N 3.07Å; D43-R45 WeakPolarHBondContact OD1-CB 3.35Å; D43-R45 PolarHBondContact OD1-N 2.93Å; R45-V48 VanDerWaalsContact O-CG2 3.23Å; R45-V48 WeakPolarHBondContact O-CG2 3.16Å; R45-Q49 WeakPolarHBondContact O-CG 3.45Å; R45-Y191 HydrophobicContact CG-CD1 4.21Å; R45-Y191 HydrophobicContact CG-CD2 3.69Å; R45-Y191 HydrophobicContact CG-CE1 4.17Å; R45-Y191 HydrophobicContact CG-CE2 3.62Å; R45-Y191 HydrophobicContact CG-CG 4Å; R45-Y191 VanDerWaalsContact CZ-CE1 3.45Å |
| 46 | K | 88.9 | Confident | 84.6 | Confident | 145 Ų | 145 | 74.8 Ų | 74.8 | 63% | 0.63 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -75.2 | -35.5 | 174.5 | -63.2 | -175.8 | 179 | -179.3 | 0 | 111.8 | D43 L44 V48 Q49 | D43-K46 HydrophobicContact CB-CD 4.42Å; D43-K46 HydrophobicContact CB-CG 4.31Å; D43-K46 WeakPolarHBondContact O-CA 3.35Å; D43-K46 WeakPolarHBondContact O-CB 3.26Å; D43-K46 PolarHBondContact O-N 3.46Å; L44-K46 VanDerWaalsContact C-N 3.3Å; L44-K46 PolarHBondContact O-N 2.95Å; K46-V48 VanDerWaalsContact C-N 3.26Å; K46-V48 PolarHBondContact O-N 3.24Å; K46-Q49 PolarHBondContact O-N 3.33Å |
| 47 | V | 88.6 | Confident | 85.8 | Confident | 12 Ų | 12 | 73.7 Ų | 73.7 | 7% | 0.073 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.1 | -33 | -178.5 | 177.7 | 0 | 0 | 0 | 0 | 112.3 | L42 D43 L44 | L42-V47 HydrophobicContact CB-CG2 3.85Å; D43-V47 PolarHBondContact O-N 3.06Å; D43-V47 VanDerWaalsContact O-N 3.16Å; L44-V47 PolarHBondContact O-N 3.01Å |
| 48 | V | 94.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.006 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -14.4 | -177.7 | -63.8 | 0 | 0 | 0 | 0 | 114.1 | L44 R45 K46 W59 H188 F192 E195 F196 | L44-V48 WeakPolarHBondContact O-CG1 3Å; L44-V48 PolarHBondContact O-N 2.96Å; R45-V48 VanDerWaalsContact O-CG2 3.23Å; R45-V48 WeakPolarHBondContact O-CG2 3.16Å; K46-V48 VanDerWaalsContact C-N 3.26Å; K46-V48 PolarHBondContact O-N 3.24Å; V48-W59 PolarHBondContact O-NE1 3.28Å; V48-H188 VanDerWaalsContact CG1-CD2 3.45Å; V48-H188 WeakPolarHBondContact CG1-CD2 3.24Å; V48-F192 HydrophobicContact CB-CB 4.25Å; V48-F192 HydrophobicContact CB-CD2 4.03Å; V48-F192 HydrophobicContact CG1-CB 3.83Å; V48-F192 HydrophobicContact CG1-CD2 4.21Å; V48-E195 HydrophobicContact CG2-CB 4.07Å; V48-E195 HydrophobicContact CG2-CG 4.31Å; V48-F196 VanDerWaalsContact O-CE2 3.28Å; V48-F196 WeakPolarHBondContact O-CE2 3.39Å |
| 49 | Q | 95.3 | Very high | 88.1 | Confident | 98 Ų | 98 | 71.4 Ų | 71.4 | 46% | 0.458 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -63.1 | 144.7 | -177.5 | -67.9 | -178.1 | -30.6 | 0 | 0 | 111.1 | R45 K46 P51 W59 | R45-Q49 WeakPolarHBondContact O-CG 3.45Å; K46-Q49 PolarHBondContact O-N 3.33Å; Q49-P51 VanDerWaalsContact O-CD 3.3Å; Q49-P51 WeakPolarHBondContact O-CD 3.46Å; Q49-W59 WeakPolarHBondContact O-CZ2 3.45Å |
| 50 | L | 96.2 | Very high | 89.4 | Confident | 61 Ų | 61 | 63.4 Ų | 63.4 | 32% | 0.319 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -63 | 121.5 | 174.3 | 179.5 | 65.2 | 0 | 0 | 0 | 108.7 | E54 I56 W59 F196 | L50-E54 HydrophobicContact CD1-CB 4.05Å; L50-I56 HydrophobicContact CD2-CB 4.1Å; L50-W59 HydrophobicContact CD1-CB 3.52Å; L50-W59 HydrophobicContact CD1-CG 3.75Å; L50-F196 HydrophobicContact CB-CE1 4.17Å; L50-F196 HydrophobicContact CB-CZ 4.1Å |
| 51 | P | 94.3 | Very high | 90.9 | Very high | 39 Ų | 39 | 59.9 Ų | 59.9 | 25% | 0.253 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 148.9 | 176.4 | -17.3 | 29.9 | 0 | 0 | 0 | 111.2 | Q49 G53 E54 W59 | Q49-P51 VanDerWaalsContact O-CD 3.3Å; Q49-P51 WeakPolarHBondContact O-CD 3.46Å; P51-G53 PolarHBondContact O-N 3.36Å; P51-E54 HydrophobicContact CB-CG 3.8Å; P51-E54 HydrophobicContact CG-CG 4.2Å; P51-E54 WeakPolarHBondContact O-CB 3.4Å; P51-E54 PolarHBondContact O-N 2.88Å; P51-E54 VanDerWaalsContact O-N 3.15Å; P51-W59 HydrophobicContact CG-CE3 4.48Å; P51-W59 HydrophobicContact CG-CH2 4.11Å; P51-W59 HydrophobicContact CG-CZ2 4.38Å; P51-W59 HydrophobicContact CG-CZ3 4.18Å |
| 52 | E | 93.8 | Very high | 92.2 | Very high | 197 Ų | 197 | 56.5 Ų | 56.5 | 92% | 0.921 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 131.5 | -178.2 | -170.9 | 176.8 | -177.6 | 0 | 0 | 111.6 | E54 | E52-E54 VanDerWaalsContact C-N 3.26Å; E52-E54 PolarHBondContact O-N 3.01Å |
| 53 | G | 93.4 | Very high | 93.5 | Very high | 82 Ų | 82 | 52 Ų | 52 | 85% | 0.845 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | -2.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | P51 | P51-G53 PolarHBondContact O-N 3.36Š|
| 54 | E | 94.6 | Very high | 94.1 | Very high | 38 Ų | 38 | 48.2 Ų | 48.2 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | trans | -87.2 | 155.4 | 179.7 | -60.1 | -73.3 | -173.6 | 0 | 0 | 112.4 | Q26 L30 K33 L50 P51 E52 | Q26-E54 PolarHBondContact NE2-OE2 3.02Å; L30-E54 HydrophobicContact CD2-CB 4.32Å; L30-E54 VanDerWaalsContact CD2-CD 3.49Å; L30-E54 HydrophobicContact CD2-CG 3.77Å; K33-E54 IonicContact NZ-OE1 3.37Å; K33-E54 PolarHBondContact NZ-OE1 3.45Å; L50-E54 HydrophobicContact CD1-CB 4.05Å; P51-E54 HydrophobicContact CB-CG 3.8Å; P51-E54 HydrophobicContact CG-CG 4.2Å; P51-E54 WeakPolarHBondContact O-CB 3.4Å; P51-E54 PolarHBondContact O-N 2.88Å; P51-E54 VanDerWaalsContact O-N 3.15Å; E52-E54 VanDerWaalsContact C-N 3.26Å; E52-E54 PolarHBondContact O-N 3.01Å | ||
| 55 | N | 94.3 | Very high | 94.4 | Very high | 72 Ų | 72 | 47.5 Ų | 47.5 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | trans | -80.3 | 129.9 | 177.1 | -174.9 | -74.3 | 0 | 0 | 0 | 111.5 | N57 D58 W59 | N55-N57 VanDerWaalsContact C-N 3.34Å; N55-N57 PolarHBondContact O-N 3.2Å; N55-N57 WeakPolarHBondContact OD1-CA 3.34Å; N55-N57 WeakPolarHBondContact OD1-CB 3.41Å; N55-N57 PolarHBondContact OD1-N 3.04Å; N55-D58 HydrophobicContact CB-CB 4.2Å; N55-D58 VanDerWaalsContact CB-OD2 3.3Å; N55-D58 WeakPolarHBondContact CB-OD2 3.5Å; N55-D58 PolarHBondContact O-N 3.01Å; N55-D58 PolarHBondContact OD1-N 3.47Å; N55-W59 PolarHBondContact O-N 3.38Å | ||
| 56 | I | 96.4 | Very high | 94.5 | Very high | 66 Ų | 66 | 42.7 Ų | 42.7 | 34% | 0.338 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60 | -38 | -179.4 | -170 | 169.6 | 0 | 0 | 0 | 113.7 | L50 W59 I60 F196 | L50-I56 HydrophobicContact CD2-CB 4.1Å; I56-W59 PolarHBondContact O-N 3.02Å; I56-I60 HydrophobicContact CD1-CD1 4.5Å; I56-I60 HydrophobicContact CG1-CD1 3.94Å; I56-I60 HydrophobicContact CG1-CG1 4.44Å; I56-I60 WeakPolarHBondContact O-CB 3.31Å; I56-I60 VanDerWaalsContact O-CG1 3.31Å; I56-I60 WeakPolarHBondContact O-CG1 3.3Å; I56-I60 PolarHBondContact O-N 3.36Å; I56-F196 HydrophobicContact CD1-CD1 4.05Å; I56-F196 HydrophobicContact CD1-CE1 4.29Å; I56-F196 HydrophobicContact CG1-CD1 4.41Å; I56-F196 HydrophobicContact CG1-CE1 4.38Å |
| 57 | N | 96.7 | Very high | 94.8 | Very high | 36 Ų | 36 | 35.8 Ų | 35.8 | 19% | 0.193 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.2 | -36.2 | -178.6 | -68.6 | -23.8 | 0 | 0 | 0 | 111.3 | N55 W59 I60 A61 F143 F147 Q148 | N55-N57 VanDerWaalsContact C-N 3.34Å; N55-N57 PolarHBondContact O-N 3.2Å; N55-N57 WeakPolarHBondContact OD1-CA 3.34Å; N55-N57 WeakPolarHBondContact OD1-CB 3.41Å; N55-N57 PolarHBondContact OD1-N 3.04Å; N57-W59 VanDerWaalsContact C-N 3.34Å; N57-I60 PolarHBondContact O-N 3.4Å; N57-A61 VanDerWaalsContact O-CB 3.27Å; N57-A61 WeakPolarHBondContact O-CB 3.19Å; N57-A61 PolarHBondContact O-N 3.48Å; N57-F143 HydrophobicContact CB-CB 4.46Å; N57-F143 HydrophobicContact CB-CD2 3.41Å; N57-F143 VanDerWaalsContact CB-CD2 3.41Å; N57-F143 HydrophobicContact CB-CE2 3.58Å; N57-F143 HydrophobicContact CB-CG 3.9Å; N57-F143 HydrophobicContact CB-CZ 4.21Å; N57-F147 HydrophobicContact CB-CD1 3.74Å; N57-F147 HydrophobicContact CB-CE1 3.67Å; N57-F147 WeakPolarHBondContact O-CE1 3.28Å; N57-Q148 WeakPolarHBondContact OD1-CG 3.47Å; N57-Q148 PolarHBondContact OD1-NE2 3.39Å |
| 58 | D | 94.5 | Very high | 95.2 | Very high | 22 Ų | 22 | 35.2 Ų | 35.2 | 12% | 0.118 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 171.8 | -71.4 | -62.7 | 0 | 0 | 0 | 111.3 | R27 L30 N55 A61 V62 F143 | R27-D58 HydrophobicContact CG-CB 4.4Å; R27-D58 IonicContact CZ-OD1 3.92Å; R27-D58 VanDerWaalsContact CZ-OD1 3.31Å; R27-D58 IonicContact NE-OD1 2.74Å; R27-D58 PolarHBondContact NE-OD1 3.32Å; R27-D58 IonicContact NH2-OD1 2.73Å; R27-D58 PolarHBondContact NH2-OD1 2.84Å; L30-D58 HydrophobicContact CD1-CB 4Å; N55-D58 HydrophobicContact CB-CB 4.2Å; N55-D58 VanDerWaalsContact CB-OD2 3.3Å; N55-D58 WeakPolarHBondContact CB-OD2 3.5Å; N55-D58 PolarHBondContact O-N 3.01Å; N55-D58 PolarHBondContact OD1-N 3.47Å; D58-A61 PolarHBondContact O-N 2.83Å; D58-V62 WeakPolarHBondContact O-CG2 3.38Å; D58-V62 PolarHBondContact O-N 2.92Å; D58-F143 HydrophobicContact CB-CE2 4.48Å; D58-F143 VanDerWaalsContact OD1-CE2 3.31Å; D58-F143 WeakPolarHBondContact OD1-CE2 3.45Å |
| 59 | W | 96.3 | Very high | 95 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.7 | -46.3 | 176.1 | -170.7 | -122.7 | 0 | 0 | 0 | 112.7 | L30 A34 V48 Q49 L50 P51 N55 I56 N57 V62 H63 F192 F196 | L30-W59 HydrophobicContact CB-CE3 4.29Å; L30-W59 HydrophobicContact CB-CZ3 4.27Å; L30-W59 HydrophobicContact CD2-CE3 3.87Å; L30-W59 HydrophobicContact CD2-CZ3 3.97Å; L30-W59 HydrophobicContact CG-CE3 4.46Å; A34-W59 HydrophobicContact CB-CH2 3.93Å; A34-W59 HydrophobicContact CB-CZ3 4.22Å; V48-W59 PolarHBondContact O-NE1 3.28Å; Q49-W59 WeakPolarHBondContact O-CZ2 3.45Å; L50-W59 HydrophobicContact CD1-CB 3.52Å; L50-W59 HydrophobicContact CD1-CG 3.75Å; P51-W59 HydrophobicContact CG-CE3 4.48Å; P51-W59 HydrophobicContact CG-CH2 4.11Å; P51-W59 HydrophobicContact CG-CZ2 4.38Å; P51-W59 HydrophobicContact CG-CZ3 4.18Å; N55-W59 PolarHBondContact O-N 3.38Å; I56-W59 PolarHBondContact O-N 3.02Å; N57-W59 VanDerWaalsContact C-N 3.34Å; W59-V62 PolarHBondContact O-N 3.37Å; W59-H63 AromaticContact CD2-CE1 3.51Å; W59-H63 AromaticContact CD2-ND1 3.73Å; W59-H63 AromaticContact CE2-CE1 3.2Å; W59-H63 AromaticContact CE2-ND1 3.76Å; W59-H63 AromaticContact CE3-CE1 3.69Å; W59-H63 AromaticContact CH2-CE1 3.42Å; W59-H63 VanDerWaalsContact CH2-CE1 3.42Å; W59-H63 WeakPolarHBondContact CH2-CE1 3.44Å; W59-H63 AromaticContact CZ2-CE1 3.19Å; W59-H63 WeakPolarHBondContact CZ2-CE1 3.36Å; W59-H63 AromaticContact CZ2-NE2 3.79Å; W59-H63 AromaticContact CZ3-CE1 3.65Å; W59-H63 AromaticContact NE1-CE1 3.81Å; W59-H63 PolarHBondContact O-N 3.05Å; W59-H63 PolarHBondContact O-ND1 3.3Å; W59-F192 AromaticContact CD1-CE2 3.94Å; W59-F192 AromaticContact NE1-CE2 3.81Å; W59-F196 AromaticContact CD1-CE2 3.71Å; W59-F196 AromaticContact CD1-CZ 3.48Å; W59-F196 VanDerWaalsContact CD1-CZ 3.48Å; W59-F196 AromaticContact NE1-CE2 3.78Å; W59-F196 AromaticContact NE1-CZ 3.71Å |
| 60 | I | 97.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.5 | -44.1 | 174.1 | -69.6 | 169.3 | 0 | 0 | 0 | 111.1 | I56 N57 V62 H63 V64 F147 Q148 C151 F192 L198 | I56-I60 HydrophobicContact CD1-CD1 4.5Å; I56-I60 HydrophobicContact CG1-CD1 3.94Å; I56-I60 HydrophobicContact CG1-CG1 4.44Å; I56-I60 WeakPolarHBondContact O-CB 3.31Å; I56-I60 VanDerWaalsContact O-CG1 3.31Å; I56-I60 WeakPolarHBondContact O-CG1 3.3Å; I56-I60 PolarHBondContact O-N 3.36Å; N57-I60 PolarHBondContact O-N 3.4Å; I60-V62 VanDerWaalsContact C-N 3.32Å; I60-V62 PolarHBondContact O-N 2.97Å; I60-H63 PolarHBondContact O-N 3.35Å; I60-V64 HydrophobicContact CG2-CG2 3.96Å; I60-V64 WeakPolarHBondContact O-CB 3Å; I60-V64 VanDerWaalsContact O-CG2 3.28Å; I60-V64 WeakPolarHBondContact O-CG2 2.77Å; I60-V64 PolarHBondContact O-N 3.15Å; I60-F147 HydrophobicContact CB-CE1 4.27Å; I60-F147 HydrophobicContact CG2-CE1 4.08Å; I60-F147 HydrophobicContact CG2-CZ 4.31Å; I60-Q148 HydrophobicContact CD1-CG 4.35Å; I60-C151 HydrophobicContact CG2-CB 3.79Å; I60-F192 HydrophobicContact CG1-CZ 4.08Å; I60-L198 HydrophobicContact CD1-CD2 4.26Å |
| 61 | A | 95.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59 | -45 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N57 D58 H63 V65 F135 F143 F147 | N57-A61 VanDerWaalsContact O-CB 3.27Å; N57-A61 WeakPolarHBondContact O-CB 3.19Å; N57-A61 PolarHBondContact O-N 3.48Å; D58-A61 PolarHBondContact O-N 2.83Å; A61-H63 VanDerWaalsContact C-N 3.34Å; A61-H63 PolarHBondContact O-N 3.34Å; A61-V65 WeakPolarHBondContact O-CG2 3.48Å; A61-V65 PolarHBondContact O-N 3.32Å; A61-F135 HydrophobicContact CB-CD1 4Å; A61-F135 HydrophobicContact CB-CE1 4.06Å; A61-F143 HydrophobicContact CB-CE1 3.94Å; A61-F143 HydrophobicContact CB-CZ 3.8Å; A61-F147 HydrophobicContact CB-CE2 4.48Å; A61-F147 HydrophobicContact CB-CZ 3.81Å |
| 62 | V | 93.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 178.2 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | F21 R27 L30 Y31 D58 W59 I60 D66 | F21-V62 HydrophobicContact CE1-CG2 4.04Å; F21-V62 HydrophobicContact CE2-CG1 4.37Å; F21-V62 HydrophobicContact CZ-CB 4.24Å; F21-V62 HydrophobicContact CZ-CG1 4.39Å; F21-V62 HydrophobicContact CZ-CG2 4.01Å; R27-V62 HydrophobicContact CB-CG2 3.93Å; R27-V62 HydrophobicContact CG-CG2 4.21Å; L30-V62 HydrophobicContact CB-CG2 4.06Å; Y31-V62 HydrophobicContact CD2-CG1 4.31Å; D58-V62 WeakPolarHBondContact O-CG2 3.38Å; D58-V62 PolarHBondContact O-N 2.92Å; W59-V62 PolarHBondContact O-N 3.37Å; I60-V62 VanDerWaalsContact C-N 3.32Å; I60-V62 PolarHBondContact O-N 2.97Å; V62-D66 PolarHBondContact O-N 3.03Å |
| 63 | H | 96.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.009 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71.1 | -41.3 | -178.7 | -76.4 | 76.3 | 0 | 0 | 0 | 113.1 | W59 I60 A61 V65 D66 F67 H188 F192 | W59-H63 AromaticContact CD2-CE1 3.51Å; W59-H63 AromaticContact CD2-ND1 3.73Å; W59-H63 AromaticContact CE2-CE1 3.2Å; W59-H63 AromaticContact CE2-ND1 3.76Å; W59-H63 AromaticContact CE3-CE1 3.69Å; W59-H63 AromaticContact CH2-CE1 3.42Å; W59-H63 VanDerWaalsContact CH2-CE1 3.42Å; W59-H63 WeakPolarHBondContact CH2-CE1 3.44Å; W59-H63 AromaticContact CZ2-CE1 3.19Å; W59-H63 WeakPolarHBondContact CZ2-CE1 3.36Å; W59-H63 AromaticContact CZ2-NE2 3.79Å; W59-H63 AromaticContact CZ3-CE1 3.65Å; W59-H63 AromaticContact NE1-CE1 3.81Å; W59-H63 PolarHBondContact O-N 3.05Å; W59-H63 PolarHBondContact O-ND1 3.3Å; I60-H63 PolarHBondContact O-N 3.35Å; A61-H63 VanDerWaalsContact C-N 3.34Å; A61-H63 PolarHBondContact O-N 3.34Å; H63-V65 VanDerWaalsContact C-N 3.28Å; H63-V65 PolarHBondContact O-N 2.88Å; H63-D66 PolarHBondContact O-N 2.96Å; H63-F67 HydrophobicContact CB-CD2 4.19Å; H63-F67 HydrophobicContact CB-CE2 3.84Å; H63-F67 WeakPolarHBondContact O-CB 3.36Å; H63-F67 WeakPolarHBondContact O-CD2 3.4Å; H63-F67 WeakPolarHBondContact O-CG 3.29Å; H63-F67 PolarHBondContact O-N 2.96Å; H63-H188 AromaticContact CD2-NE2 3.75Å; H63-H188 AromaticContact NE2-NE2 3.84Å; H63-F192 HydrophobicContact CB-CD1 4.11Å; H63-F192 HydrophobicContact CB-CD2 3.99Å; H63-F192 HydrophobicContact CB-CE1 3.65Å; H63-F192 HydrophobicContact CB-CE2 3.54Å; H63-F192 HydrophobicContact CB-CG 4.27Å; H63-F192 HydrophobicContact CB-CZ 3.39Å; H63-F192 AromaticContact CD2-CD2 3.37Å; H63-F192 WeakPolarHBondContact CD2-CD2 3.36Å; H63-F192 AromaticContact CD2-CE2 3.51Å; H63-F192 AromaticContact CE1-CE2 3.99Å; H63-F192 AromaticContact CG-CD2 3.53Å; H63-F192 AromaticContact CG-CE2 3.16Å; H63-F192 AromaticContact CG-CZ 3.58Å; H63-F192 AromaticContact ND1-CE2 3.48Å; H63-F192 WeakPolarHBondContact ND1-CE2 3.26Å; H63-F192 AromaticContact NE2-CD2 3.98Å |
| 64 | V | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.4 | -43.4 | 177.3 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | I60 F68 I129 F135 C151 I154 L155 | I60-V64 HydrophobicContact CG2-CG2 3.96Å; I60-V64 WeakPolarHBondContact O-CB 3Å; I60-V64 VanDerWaalsContact O-CG2 3.28Å; I60-V64 WeakPolarHBondContact O-CG2 2.77Å; I60-V64 PolarHBondContact O-N 3.15Å; V64-F68 WeakPolarHBondContact O-CB 3.31Å; V64-F68 PolarHBondContact O-N 3.35Å; V64-I129 HydrophobicContact CG1-CG2 4.31Å; V64-F135 HydrophobicContact CB-CE1 4.47Å; V64-F135 HydrophobicContact CG1-CE1 4.3Å; V64-F135 HydrophobicContact CG1-CZ 4Å; V64-C151 HydrophobicContact CG2-CB 4.05Å; V64-I154 HydrophobicContact CG1-CB 4.43Å; V64-I154 HydrophobicContact CG1-CD1 4.26Å; V64-I154 HydrophobicContact CG1-CG2 3.75Å; V64-L155 HydrophobicContact CG2-CD1 4.05Å; V64-L155 HydrophobicContact CG2-CD2 4.17Å; V64-L155 HydrophobicContact CG2-CG 4.09Å |
| 65 | V | 93.6 | Very high | 94 | Very high | 8 Ų | 8 | 19.7 Ų | 19.7 | 5% | 0.048 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.4 | -41.9 | 176.9 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | F21 A61 H63 F68 N69 I129 F135 | F21-V65 HydrophobicContact CE2-CB 4.43Å; F21-V65 HydrophobicContact CE2-CG1 4.19Å; F21-V65 HydrophobicContact CZ-CB 3.84Å; F21-V65 HydrophobicContact CZ-CG1 3.93Å; F21-V65 HydrophobicContact CZ-CG2 4.24Å; A61-V65 WeakPolarHBondContact O-CG2 3.48Å; A61-V65 PolarHBondContact O-N 3.32Å; H63-V65 VanDerWaalsContact C-N 3.28Å; H63-V65 PolarHBondContact O-N 2.88Å; V65-F68 PolarHBondContact O-N 3.46Å; V65-N69 PolarHBondContact O-N 3.26Å; V65-N69 PolarHBondContact O-ND2 3.34Å; V65-I129 HydrophobicContact CG2-CB 4.26Å; V65-I129 HydrophobicContact CG2-CG2 4.36Å; V65-F135 HydrophobicContact CG2-CE1 4.43Å |
| 66 | D | 91.6 | Very high | 93.7 | Very high | 11 Ų | 11 | 17.1 Ų | 17.1 | 6% | 0.059 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.2 | -46.7 | 176 | -173.8 | 63.7 | 0 | 0 | 0 | 112 | Q35 V62 H63 N69 R70 | Q35-D66 PolarHBondContact NE2-OD1 3.39Å; V62-D66 PolarHBondContact O-N 3.03Å; H63-D66 PolarHBondContact O-N 2.96Å; D66-N69 WeakPolarHBondContact O-CB 3.49Å; D66-N69 PolarHBondContact O-N 2.87Å; D66-R70 WeakPolarHBondContact O-CG 3.33Å; D66-R70 PolarHBondContact O-N 3.33Å; D66-R70 WeakPolarHBondContact OD2-CD 3.36Å; D66-R70 IonicContact OD2-CZ 3.22Å; D66-R70 IonicContact OD2-NE 3.18Å; D66-R70 IonicContact OD2-NH1 2.87Å; D66-R70 PolarHBondContact OD2-NH1 3.49Å |
| 67 | F | 96.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.8 | -43.3 | 177.8 | -68 | -48.6 | 0 | 0 | 0 | 111.9 | H63 N69 R70 I71 L155 L158 H188 Y189 F192 | H63-F67 HydrophobicContact CB-CD2 4.19Å; H63-F67 HydrophobicContact CB-CE2 3.84Å; H63-F67 WeakPolarHBondContact O-CB 3.36Å; H63-F67 WeakPolarHBondContact O-CD2 3.4Å; H63-F67 WeakPolarHBondContact O-CG 3.29Å; H63-F67 PolarHBondContact O-N 2.96Å; F67-N69 VanDerWaalsContact C-N 3.31Å; F67-N69 PolarHBondContact O-N 3.01Å; F67-R70 PolarHBondContact O-N 3.34Å; F67-I71 HydrophobicContact CB-CD1 4.17Å; F67-I71 VanDerWaalsContact O-CB 3.23Å; F67-I71 WeakPolarHBondContact O-CB 3.27Å; F67-I71 WeakPolarHBondContact O-CD1 3.46Å; F67-I71 WeakPolarHBondContact O-CG1 3.34Å; F67-I71 PolarHBondContact O-N 2.99Å; F67-L155 HydrophobicContact CD2-CD2 4.11Å; F67-L158 HydrophobicContact CB-CD1 4.42Å; F67-H188 HydrophobicContact CE1-CB 4.34Å; F67-H188 AromaticContact CE1-CG 3.87Å; F67-H188 AromaticContact CE1-ND1 3.8Å; F67-H188 AromaticContact CZ-CD2 3.93Å; F67-H188 AromaticContact CZ-CE1 4Å; F67-H188 AromaticContact CZ-NE2 3.87Å; F67-Y189 HydrophobicContact CB-CD2 4.23Å; F67-Y189 HydrophobicContact CD1-CD2 4.04Å; F67-Y189 AromaticContact CD2-CD2 3.97Å; F67-Y189 HydrophobicContact CD2-CD2 3.97Å; F67-Y189 VanDerWaalsContact CE1-CA 3.44Å; F67-Y189 HydrophobicContact CE1-CD2 4.44Å; F67-Y189 HydrophobicContact CE2-CD2 4.37Å; F67-Y189 AromaticContact CG-CD2 3.82Å; F67-Y189 HydrophobicContact CG-CD2 3.82Å; F67-Y189 VanDerWaalsContact CZ-CA 3.48Å; F67-F192 HydrophobicContact CD2-CD1 4.47Å; F67-F192 HydrophobicContact CE2-CB 3.75Å; F67-F192 AromaticContact CE2-CD1 3.61Å; F67-F192 HydrophobicContact CE2-CD1 3.61Å; F67-F192 HydrophobicContact CE2-CD2 4.48Å; F67-F192 HydrophobicContact CE2-CE1 4.39Å; F67-F192 AromaticContact CE2-CG 3.67Å; F67-F192 HydrophobicContact CE2-CG 3.67Å; F67-F192 HydrophobicContact CZ-CB 3.75Å; F67-F192 HydrophobicContact CZ-CD1 4.46Å; F67-F192 HydrophobicContact CZ-CG 4.1Å |
| 68 | F | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -54.1 | -50.4 | 173.5 | 169.6 | -106.4 | 0 | 0 | 0 | 111 | P17 V64 V65 R70 I71 N72 M122 I125 E126 I129 | P17-F68 HydrophobicContact CB-CE1 4.24Å; P17-F68 HydrophobicContact CG-CD1 4.22Å; P17-F68 HydrophobicContact CG-CE1 3.95Å; V64-F68 WeakPolarHBondContact O-CB 3.31Å; V64-F68 PolarHBondContact O-N 3.35Å; V65-F68 PolarHBondContact O-N 3.46Å; F68-R70 PolarHBondContact O-N 3.07Å; F68-I71 PolarHBondContact O-N 2.91Å; F68-N72 WeakPolarHBondContact O-CB 3.46Å; F68-N72 PolarHBondContact O-N 2.79Å; F68-M122 HydrophobicContact CD2-SD 4.27Å; F68-M122 HydrophobicContact CE2-CB 4.36Å; F68-M122 HydrophobicContact CE2-SD 3.88Å; F68-I125 HydrophobicContact CB-CG2 4.2Å; F68-I125 HydrophobicContact CD2-CB 3.89Å; F68-I125 HydrophobicContact CD2-CD1 4.42Å; F68-I125 HydrophobicContact CD2-CG2 3.38Å; F68-I125 HydrophobicContact CE2-CB 3.98Å; F68-I125 HydrophobicContact CE2-CG2 3.92Å; F68-I125 HydrophobicContact CG-CG2 3.87Å; F68-E126 HydrophobicContact CE1-CB 4.33Å; F68-E126 HydrophobicContact CE1-CG 4.02Å; F68-E126 HydrophobicContact CZ-CB 3.8Å; F68-E126 HydrophobicContact CZ-CG 3.92Å; F68-I129 HydrophobicContact CD1-CD1 3.34Å; F68-I129 HydrophobicContact CE1-CD1 3.63Å; F68-I129 HydrophobicContact CG-CD1 4.01Å; F68-I129 HydrophobicContact CZ-CD1 4.5Å |
| 69 | N | 90.5 | Very high | 92.2 | Very high | 47 Ų | 47 | 13.5 Ų | 13.5 | 25% | 0.251 | 8% | 0.075 | S | C | . | . | H | α-helix | trans | -57.1 | -50.8 | 179.1 | -77.3 | -43.1 | 0 | 0 | 0 | 112.6 | P17 V65 D66 F67 N72 L73 | P17-N69 WeakPolarHBondContact CD-OD1 3.45Å; P17-N69 WeakPolarHBondContact CG-OD1 3.27Å; V65-N69 PolarHBondContact O-N 3.26Å; V65-N69 PolarHBondContact O-ND2 3.34Å; D66-N69 WeakPolarHBondContact O-CB 3.49Å; D66-N69 PolarHBondContact O-N 2.87Å; F67-N69 VanDerWaalsContact C-N 3.31Å; F67-N69 PolarHBondContact O-N 3.01Å; N69-N72 PolarHBondContact O-N 2.99Å; N69-L73 WeakPolarHBondContact O-CG 3.46Å; N69-L73 PolarHBondContact O-N 2.96Å; N69-L73 VanDerWaalsContact O-N 3.1Å |
| 70 | R | 93.5 | Very high | 91.6 | Very high | 46 Ų | 46 | 19.8 Ų | 19.8 | 17% | 0.174 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -70.5 | -38.8 | -174.5 | -67.6 | 166.1 | 66 | -158.2 | -1.5 | 111.8 | D66 F67 F68 L73 I74 C185 H188 | D66-R70 WeakPolarHBondContact O-CG 3.33Å; D66-R70 PolarHBondContact O-N 3.33Å; D66-R70 WeakPolarHBondContact OD2-CD 3.36Å; D66-R70 IonicContact OD2-CZ 3.22Å; D66-R70 IonicContact OD2-NE 3.18Å; D66-R70 IonicContact OD2-NH1 2.87Å; D66-R70 PolarHBondContact OD2-NH1 3.49Å; F67-R70 PolarHBondContact O-N 3.34Å; F68-R70 PolarHBondContact O-N 3.07Å; R70-L73 WeakPolarHBondContact O-CB 3.49Å; R70-L73 PolarHBondContact O-N 2.58Å; R70-I74 WeakPolarHBondContact O-CG1 3.47Å; R70-I74 PolarHBondContact O-N 3.24Å; R70-I74 VanDerWaalsContact O-N 3.16Å; R70-C185 VanDerWaalsContact NH2-CA 3.33Å; R70-H188 PolarHBondContact NH1-ND1 2.9Å |
| 71 | I | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -71.5 | -33.5 | 176.6 | -62.9 | 168.4 | 0 | 0 | 0 | 110.7 | F67 F68 L73 I74 Y75 M122 L158 V161 F162 Y189 | F67-I71 HydrophobicContact CB-CD1 4.17Å; F67-I71 VanDerWaalsContact O-CB 3.23Å; F67-I71 WeakPolarHBondContact O-CB 3.27Å; F67-I71 WeakPolarHBondContact O-CD1 3.46Å; F67-I71 WeakPolarHBondContact O-CG1 3.34Å; F67-I71 PolarHBondContact O-N 2.99Å; F68-I71 PolarHBondContact O-N 2.91Å; I71-L73 VanDerWaalsContact C-N 3.29Å; I71-L73 PolarHBondContact O-N 3.32Å; I71-I74 WeakPolarHBondContact O-CB 3.29Å; I71-I74 PolarHBondContact O-N 3.28Å; I71-Y75 PolarHBondContact O-N 3.13Å; I71-M122 HydrophobicContact CG2-CE 4.21Å; I71-L158 HydrophobicContact CB-CD2 4.15Å; I71-L158 HydrophobicContact CD1-CB 3.83Å; I71-L158 HydrophobicContact CD1-CD1 4.18Å; I71-L158 HydrophobicContact CD1-CD2 4.05Å; I71-L158 HydrophobicContact CD1-CG 4.23Å; I71-L158 HydrophobicContact CG2-CD2 3.96Å; I71-V161 HydrophobicContact CG2-CB 3.77Å; I71-V161 HydrophobicContact CG2-CG1 3.67Å; I71-V161 HydrophobicContact CG2-CG2 4.21Å; I71-F162 HydrophobicContact CD1-CD2 4.19Å; I71-F162 HydrophobicContact CD1-CE2 3.37Å; I71-F162 HydrophobicContact CD1-CZ 3.8Å; I71-F162 HydrophobicContact CG1-CE1 4.45Å; I71-F162 HydrophobicContact CG1-CE2 3.77Å; I71-F162 HydrophobicContact CG1-CZ 3.64Å; I71-Y189 HydrophobicContact CD1-CD2 4.24Å; I71-Y189 HydrophobicContact CD1-CE2 4.44Å |
| 72 | N | 90.8 | Very high | 91 | Very high | 8 Ų | 8 | 22.6 Ų | 22.6 | 4% | 0.043 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.5 | -35.1 | 173.1 | -167 | 45.2 | 0 | 0 | 0 | 112 | F15 F68 N69 Y75 G76 M122 | F15-N72 PolarHBondContact O-ND2 3.12Å; F68-N72 WeakPolarHBondContact O-CB 3.46Å; F68-N72 PolarHBondContact O-N 2.79Å; N69-N72 PolarHBondContact O-N 2.99Å; N72-Y75 PolarHBondContact O-N 3.4Å; N72-G76 PolarHBondContact O-N 3.16Å; N72-M122 HydrophobicContact CB-SD 4.36Å |
| 73 | L | 89.9 | Confident | 91 | Very high | 53 Ų | 53 | 25.3 Ų | 25.3 | 28% | 0.277 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 170.5 | -64.9 | 175 | 0 | 0 | 0 | 111.5 | F9 T14 N69 R70 I71 Y75 G76 T77 | F9-L73 HydrophobicContact CD1-CB 4.27Å; F9-L73 HydrophobicContact CD1-CD1 4.18Å; F9-L73 HydrophobicContact CD1-CD2 4.39Å; F9-L73 HydrophobicContact CE1-CB 4.1Å; F9-L73 HydrophobicContact CE1-CD1 4.32Å; T14-L73 HydrophobicContact CG2-CD2 3.46Å; T14-L73 VanDerWaalsContact CG2-CD2 3.46Å; N69-L73 WeakPolarHBondContact O-CG 3.46Å; N69-L73 PolarHBondContact O-N 2.96Å; N69-L73 VanDerWaalsContact O-N 3.1Å; R70-L73 WeakPolarHBondContact O-CB 3.49Å; R70-L73 PolarHBondContact O-N 2.58Å; I71-L73 VanDerWaalsContact C-N 3.29Å; I71-L73 PolarHBondContact O-N 3.32Å; L73-Y75 VanDerWaalsContact C-N 3.31Å; L73-Y75 PolarHBondContact O-N 3Å; L73-G76 WeakPolarHBondContact O-CA 3.09Å; L73-G76 PolarHBondContact O-N 2.89Å; L73-G76 VanDerWaalsContact O-N 3.1Å; L73-T77 VanDerWaalsContact O-CG2 3.23Å; L73-T77 WeakPolarHBondContact O-CG2 3.5Å; L73-T77 PolarHBondContact O-N 3.24Å; L73-T77 VanDerWaalsContact O-N 3.13Å |
| 74 | I | 89.7 | Confident | 91 | Very high | 13 Ų | 13 | 31.4 Ų | 31.4 | 7% | 0.067 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.1 | -43.9 | 176.7 | -64.3 | 169.9 | 0 | 0 | 0 | 110.9 | R70 I71 G76 T77 V78 F162 V165 I182 C185 | R70-I74 WeakPolarHBondContact O-CG1 3.47Å; R70-I74 PolarHBondContact O-N 3.24Å; R70-I74 VanDerWaalsContact O-N 3.16Å; I71-I74 WeakPolarHBondContact O-CB 3.29Å; I71-I74 PolarHBondContact O-N 3.28Å; I74-G76 VanDerWaalsContact C-N 3.32Å; I74-G76 PolarHBondContact O-N 2.92Å; I74-T77 PolarHBondContact O-N 3.46Å; I74-T77 VanDerWaalsContact O-N 3.15Å; I74-T77 PolarHBondContact O-OG1 2.83Å; I74-V78 PolarHBondContact O-N 3.22Å; I74-F162 HydrophobicContact CD1-CE1 3.94Å; I74-V165 HydrophobicContact CG2-CG1 4.14Å; I74-V165 HydrophobicContact CG2-CG2 4.09Å; I74-I182 HydrophobicContact CD1-CB 4.45Å; I74-I182 HydrophobicContact CD1-CG1 4.06Å; I74-I182 HydrophobicContact CD1-CG2 4.26Å; I74-I182 HydrophobicContact CG1-CD1 4.38Å; I74-I182 HydrophobicContact CG1-CG1 4.01Å; I74-I182 HydrophobicContact CG2-CD1 3.69Å; I74-I182 HydrophobicContact CG2-CG1 4.19Å; I74-C185 HydrophobicContact CD1-CB 4.02Å |
| 75 | Y | 88.1 | Confident | 90.8 | Very high | 22 Ų | 22 | 42.7 Ų | 42.7 | 9% | 0.086 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.7 | -45.8 | 173.6 | 164.1 | -116 | 0 | 0 | 0 | 111.6 | I71 N72 L73 T77 V78 S79 L115 M118 N119 M122 | I71-Y75 PolarHBondContact O-N 3.13Å; N72-Y75 PolarHBondContact O-N 3.4Å; L73-Y75 VanDerWaalsContact C-N 3.31Å; L73-Y75 PolarHBondContact O-N 3Å; Y75-T77 PolarHBondContact O-N 3.47Å; Y75-V78 HydrophobicContact CD2-CG2 4.34Å; Y75-V78 WeakPolarHBondContact O-CG2 3.37Å; Y75-V78 PolarHBondContact O-N 3.19Å; Y75-S79 WeakPolarHBondContact O-CB 3.33Å; Y75-S79 PolarHBondContact O-N 3.1Å; Y75-L115 HydrophobicContact CE2-CD1 3.99Å; Y75-L115 WeakPolarHBondContact OH-CD1 3.1Å; Y75-M118 HydrophobicContact CD2-CB 4Å; Y75-M118 HydrophobicContact CD2-CE 4.15Å; Y75-M118 HydrophobicContact CD2-SD 3.82Å; Y75-M118 HydrophobicContact CE2-CB 3.81Å; Y75-M118 HydrophobicContact CE2-CE 4.03Å; Y75-M118 HydrophobicContact CE2-SD 4.21Å; Y75-N119 PolarHBondContact OH-OD1 3.26Å; Y75-M122 HydrophobicContact CD1-CE 4.3Å; Y75-M122 HydrophobicContact CD1-CG 4.15Å; Y75-M122 HydrophobicContact CG-CE 4.04Å |
| 76 | G | 87.5 | Confident | 90.9 | Very high | 19 Ų | 19 | 46.3 Ų | 46.3 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54 | -38.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N72 L73 I74 V78 S79 | N72-G76 PolarHBondContact O-N 3.16Å; L73-G76 WeakPolarHBondContact O-CA 3.09Å; L73-G76 PolarHBondContact O-N 2.89Å; L73-G76 VanDerWaalsContact O-N 3.1Å; I74-G76 VanDerWaalsContact C-N 3.32Å; I74-G76 PolarHBondContact O-N 2.92Å; G76-V78 VanDerWaalsContact C-N 3.29Å; G76-V78 PolarHBondContact O-N 3.44Å; G76-S79 PolarHBondContact O-OG 2.75Å |
| 77 | T | 83.9 | Confident | 91.1 | Very high | 11 Ų | 11 | 46 Ų | 46 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.3 | -23.2 | 179.3 | 83.6 | 0 | 0 | 0 | 0 | 113.6 | V8 L73 I74 Y75 F81 I173 | V8-T77 HydrophobicContact CG1-CG2 3.25Å; L73-T77 VanDerWaalsContact O-CG2 3.23Å; L73-T77 WeakPolarHBondContact O-CG2 3.5Å; L73-T77 PolarHBondContact O-N 3.24Å; L73-T77 VanDerWaalsContact O-N 3.13Å; I74-T77 PolarHBondContact O-N 3.46Å; I74-T77 VanDerWaalsContact O-N 3.15Å; I74-T77 PolarHBondContact O-OG1 2.83Å; Y75-T77 PolarHBondContact O-N 3.47Å; T77-F81 WeakPolarHBondContact O-CE1 3.34Å; T77-F81 WeakPolarHBondContact O-CZ 3.37Å; T77-I173 WeakPolarHBondContact OG1-CD1 3.14Å |
| 78 | V | 85.3 | Confident | 91.1 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -101.6 | -20.2 | -179.9 | -57.9 | 0 | 0 | 0 | 0 | 114.5 | I74 Y75 G76 E80 F81 C82 V165 H169 I173 | I74-V78 PolarHBondContact O-N 3.22Å; Y75-V78 HydrophobicContact CD2-CG2 4.34Å; Y75-V78 WeakPolarHBondContact O-CG2 3.37Å; Y75-V78 PolarHBondContact O-N 3.19Å; G76-V78 VanDerWaalsContact C-N 3.29Å; G76-V78 PolarHBondContact O-N 3.44Å; V78-E80 PolarHBondContact O-N 3.45Å; V78-E80 VanDerWaalsContact O-N 3.15Å; V78-F81 VanDerWaalsContact CA-CZ 3.41Å; V78-F81 HydrophobicContact CB-CD2 4.47Å; V78-F81 HydrophobicContact CB-CE2 3.68Å; V78-F81 HydrophobicContact CB-CZ 3.92Å; V78-F81 HydrophobicContact CG1-CE2 3.81Å; V78-F81 HydrophobicContact CG1-CZ 3.84Å; V78-F81 WeakPolarHBondContact O-CD2 3.44Å; V78-F81 PolarHBondContact O-N 3.32Å; V78-F81 VanDerWaalsContact O-N 3.12Å; V78-C82 WeakPolarHBondContact O-CB 3.46Å; V78-C82 PolarHBondContact O-N 3.1Å; V78-V165 HydrophobicContact CG1-CG1 4.25Å; V78-V165 HydrophobicContact CG1-CG2 4.15Å; V78-V165 HydrophobicContact CG2-CG2 4.07Å; V78-H169 HydrophobicContact CB-CB 4.46Å; V78-H169 HydrophobicContact CG1-CB 3.96Å; V78-I173 HydrophobicContact CG1-CD1 3.8Å; V78-I173 HydrophobicContact CG1-CG1 4.4Å |
| 79 | S | 87.5 | Confident | 91.2 | Very high | 37 Ų | 37 | 52.6 Ų | 52.6 | 26% | 0.259 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.7 | -30.2 | -175 | 66.3 | 0 | 0 | 0 | 0 | 113.9 | Y75 G76 F81 | Y75-S79 WeakPolarHBondContact O-CB 3.33Å; Y75-S79 PolarHBondContact O-N 3.1Å; G76-S79 PolarHBondContact O-OG 2.75Å; S79-F81 VanDerWaalsContact C-N 3.29Å; S79-F81 PolarHBondContact O-N 2.87Å |
| 80 | E | 82.1 | Confident | 91.5 | Very high | 136 Ų | 136 | 50.3 Ų | 50.3 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -22.4 | -178.8 | -64.6 | -169.6 | 159.2 | 0 | 0 | 113.4 | K13 V78 | K13-E80 IonicContact NZ-OE1 2.71Å; K13-E80 PolarHBondContact NZ-OE1 2.73Å; V78-E80 PolarHBondContact O-N 3.45Å; V78-E80 VanDerWaalsContact O-N 3.15Å |
| 81 | F | 87.1 | Confident | 91.7 | Very high | 60 Ų | 60 | 49.1 Ų | 49.1 | 26% | 0.263 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | -7.1 | -178.5 | 46.4 | -99.8 | 0 | 0 | 0 | 114.1 | T77 V78 S79 T83 T86 H169 S172 M176 | T77-F81 WeakPolarHBondContact O-CE1 3.34Å; T77-F81 WeakPolarHBondContact O-CZ 3.37Å; V78-F81 VanDerWaalsContact CA-CZ 3.41Å; V78-F81 HydrophobicContact CB-CD2 4.47Å; V78-F81 HydrophobicContact CB-CE2 3.68Å; V78-F81 HydrophobicContact CB-CZ 3.92Å; V78-F81 HydrophobicContact CG1-CE2 3.81Å; V78-F81 HydrophobicContact CG1-CZ 3.84Å; V78-F81 WeakPolarHBondContact O-CD2 3.44Å; V78-F81 PolarHBondContact O-N 3.32Å; V78-F81 VanDerWaalsContact O-N 3.12Å; S79-F81 VanDerWaalsContact C-N 3.29Å; S79-F81 PolarHBondContact O-N 2.87Å; F81-T83 PolarHBondContact O-N 2.96Å; F81-T86 PolarHBondContact O-OG1 2.84Å; F81-H169 AromaticContact CD2-ND1 3.56Å; F81-H169 HydrophobicContact CE2-CB 4.01Å; F81-H169 AromaticContact CE2-CG 3.93Å; F81-H169 AromaticContact CE2-ND1 3.63Å; F81-S172 VanDerWaalsContact CE2-CB 3.41Å; F81-M176 HydrophobicContact CE1-SD 4.04Å; F81-M176 HydrophobicContact CZ-SD 4.24Å |
| 82 | C | 93.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | trans | -78 | 99.6 | 167 | -171 | 0 | 0 | 0 | 0 | 109.7 | V78 L115 M118 H164 H169 | V78-C82 WeakPolarHBondContact O-CB 3.46Å; V78-C82 PolarHBondContact O-N 3.1Å; C82-L115 HydrophobicContact CB-CD1 4.46Å; C82-M118 HydrophobicContact CB-CE 4.4Å; C82-H164 PolarHBondContact SG-NE2 3.21Å; C82-H169 PolarHBondContact SG-NE2 3.44Å | ||
| 83 | T | 94.4 | Very high | 91.4 | Very high | 58 Ų | 58 | 49.9 Ų | 49.9 | 36% | 0.356 | 26% | 0.26 | S | S | . | . | trans | -114.3 | 165.7 | -178.3 | 68.4 | 0 | 0 | 0 | 0 | 111.7 | F81 R85 T86 C87 | F81-T83 PolarHBondContact O-N 2.96Å; T83-R85 PolarHBondContact O-N 3.3Å; T83-R85 PolarHBondContact OG1-N 3.48Å; T83-T86 PolarHBondContact N-OG1 3.39Å; T83-T86 PolarHBondContact O-N 2.84Å; T83-T86 PolarHBondContact O-OG1 3.43Å; T83-T86 PolarHBondContact OG1-N 2.98Å; T83-T86 VanDerWaalsContact OG1-N 3.17Å; T83-T86 PolarHBondContact OG1-OG1 3.4Å; T83-T86 VanDerWaalsContact OG1-OG1 3.08Å; T83-C87 CarbonylContact O-C 3.5Å; T83-C87 WeakPolarHBondContact O-CA 3.27Å; T83-C87 PolarHBondContact O-N 3.32Å | ||
| 84 | E | 95.4 | Very high | 91.2 | Very high | 129 Ų | 129 | 56.4 Ų | 56.4 | 60% | 0.603 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -22.5 | 172.4 | -56.5 | -165.1 | 169.6 | 0 | 0 | 112.7 | P88 P113 | E84-P88 WeakPolarHBondContact O-CA 3.42Å; E84-P88 VanDerWaalsContact O-CB 3.28Å; E84-P88 WeakPolarHBondContact O-CB 3.29Å; E84-P113 HydrophobicContact CB-CB 4.37Å; E84-P113 HydrophobicContact CG-CB 3.8Å; E84-P113 HydrophobicContact CG-CG 3.95Å |
| 85 | R | 94.8 | Very high | 91.2 | Very high | 238 Ų | 238 | 66 Ų | 66 | 90% | 0.898 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -42.5 | 176.1 | -65.8 | -173.6 | 70 | -141.7 | 0.5 | 112.2 | T83 | T83-R85 PolarHBondContact O-N 3.3Å; T83-R85 PolarHBondContact OG1-N 3.48Å |
| 86 | T | 94.4 | Very high | 91.5 | Very high | 84 Ų | 84 | 68.1 Ų | 68.1 | 52% | 0.515 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -34.9 | -179.1 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | F81 T83 | F81-T86 PolarHBondContact O-OG1 2.84Å; T83-T86 PolarHBondContact N-OG1 3.39Å; T83-T86 PolarHBondContact O-N 2.84Å; T83-T86 PolarHBondContact O-OG1 3.43Å; T83-T86 PolarHBondContact OG1-N 2.98Å; T83-T86 VanDerWaalsContact OG1-N 3.17Å; T83-T86 PolarHBondContact OG1-OG1 3.4Å; T83-T86 VanDerWaalsContact OG1-OG1 3.08Å |
| 87 | C | 97.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 70.9 Ų | 70.9 | 3% | 0.034 | 35% | 0.346 | C | S | . | . | trans | -135.2 | 65.6 | -173.4 | -53.7 | 0 | 0 | 0 | 0 | 110.5 | T83 I89 A114 | T83-C87 CarbonylContact O-C 3.5Å; T83-C87 WeakPolarHBondContact O-CA 3.27Å; T83-C87 PolarHBondContact O-N 3.32Å; C87-I89 PolarHBondContact O-N 2.94Å; C87-I89 VanDerWaalsContact O-N 3.12Å; C87-A114 HydrophobicContact CB-CB 3.59Å; C87-A114 PolarHBondContact O-N 3.19Å | ||
| 88 | P | 97.1 | Very high | 92.6 | Very high | 80 Ų | 80 | 71.6 Ų | 71.6 | 52% | 0.519 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -65 | -16.9 | -176.6 | 26.6 | -35.7 | 0 | 0 | 0 | 113.4 | E84 P113 | E84-P88 WeakPolarHBondContact O-CA 3.42Å; E84-P88 VanDerWaalsContact O-CB 3.28Å; E84-P88 WeakPolarHBondContact O-CB 3.29Å; P88-P113 VanDerWaalsContact O-CA 3.29Å; P88-P113 WeakPolarHBondContact O-CA 3.22Å |
| 89 | I | 97.3 | Very high | 93.1 | Very high | 57 Ų | 57 | 77.3 Ų | 77.3 | 29% | 0.292 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -137.5 | 140.7 | 178.9 | -58.6 | 175 | 0 | 0 | 0 | 108.2 | C87 S91 E97 K111 L112 | C87-I89 PolarHBondContact O-N 2.94Å; C87-I89 VanDerWaalsContact O-N 3.12Å; I89-S91 PolarHBondContact O-N 2.83Å; I89-E97 HydrophobicContact CG2-CG 3.85Å; I89-K111 HydrophobicContact CD1-CD 4.47Å; I89-L112 CarbonylContact C-O 3.55Å; I89-L112 WeakPolarHBondContact CA-O 3.48Å |
| 90 | M | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | trans | -68.6 | 112.2 | 168.2 | -174 | 65.4 | -178.5 | 0 | 0 | 110.4 | Y98 L112 A114 Y117 M118 R160 H164 | M90-Y98 HydrophobicContact CE-CD2 4.45Å; M90-Y98 HydrophobicContact CG-CD2 4.04Å; M90-Y98 HydrophobicContact CG-CG 4.4Å; M90-Y98 PolarHBondContact O-N 3.21Å; M90-L112 PolarHBondContact N-O 3.06Å; M90-A114 HydrophobicContact CB-CB 4.41Å; M90-A114 HydrophobicContact SD-CB 3.79Å; M90-Y117 HydrophobicContact CB-CD1 4.25Å; M90-Y117 HydrophobicContact CB-CD2 3.81Å; M90-Y117 HydrophobicContact CB-CE2 4.49Å; M90-Y117 HydrophobicContact CB-CG 3.68Å; M90-Y117 HydrophobicContact CE-CD1 4.12Å; M90-Y117 HydrophobicContact CE-CE1 4.34Å; M90-Y117 HydrophobicContact CG-CD1 3.57Å; M90-Y117 HydrophobicContact CG-CD2 3.92Å; M90-Y117 HydrophobicContact CG-CE1 4.01Å; M90-Y117 HydrophobicContact CG-CE2 4.32Å; M90-Y117 HydrophobicContact CG-CG 3.54Å; M90-Y117 HydrophobicContact SD-CD1 4.01Å; M90-Y117 HydrophobicContact SD-CG 4.3Å; M90-M118 HydrophobicContact CE-CG 4.18Å; M90-M118 HydrophobicContact SD-CG 4.18Å; M90-R160 HydrophobicContact CE-CB 4.11Å; M90-R160 WeakPolarHBondContact CE-O 3.38Å; M90-H164 HydrophobicContact CE-CB 3.61Å; M90-H164 HydrophobicContact SD-CB 4.21Å | ||
| 91 | S | 96.6 | Very high | 94.3 | Very high | 20 Ų | 20 | 73.4 Ų | 73.4 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 160.4 | -176.4 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | I89 Y96 H164 H168 | I89-S91 PolarHBondContact O-N 2.83Å; S91-Y96 CarbonylContact C-O 3.53Å; S91-Y96 WeakPolarHBondContact CA-O 3.28Å; S91-Y96 VanDerWaalsContact CB-O 3.24Å; S91-Y96 WeakPolarHBondContact CB-O 3.44Å; S91-H164 PolarHBondContact O-ND1 3.18Å; S91-H168 PolarHBondContact O-CD2 3.48Å; S91-H168 PolarHBondContact O-NE2 3.32Å; S91-H168 PolarHBondContact OG-CE1 2.89Å; S91-H168 PolarHBondContact OG-NE2 3.31Å |
| 92 | G | 91.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 72.6 Ų | 72.6 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 68.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y96 I167 | G92-Y96 PolarHBondContact N-O 3.25Å; G92-Y96 WeakPolarHBondContact O-CD2 3.28Å; G92-I167 VanDerWaalsContact C-CD1 3.42Å |
| 93 | G | 87.4 | Confident | 94.2 | Very high | 21 Ų | 21 | 74.6 Ų | 74.6 | 22% | 0.216 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | -159.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R95 H168 | G93-R95 VanDerWaalsContact C-N 3.29Å; G93-R95 PolarHBondContact O-N 2.87Å; G93-H168 PolarHBondContact N-NE2 3.11Å |
| 94 | L | 86.5 | Confident | 94 | Very high | 190 Ų | 190 | 77.8 Ų | 77.8 | 100% | 0.995 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -18.5 | -173.1 | -61.7 | 177.3 | 0 | 0 | 0 | 114.3 | ||
| 95 | R | 90.1 | Very high | 93.8 | Very high | 215 Ų | 215 | 78.5 Ų | 78.5 | 81% | 0.811 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -26.8 | -171.5 | -66.5 | -175.7 | -177.5 | -175.6 | 0.7 | 113.9 | G93 | G93-R95 VanDerWaalsContact C-N 3.29Å; G93-R95 PolarHBondContact O-N 2.87Å |
| 96 | Y | 93.8 | Very high | 93.8 | Very high | 67 Ų | 67 | 69.1 Ų | 69.1 | 26% | 0.263 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 113.3 | -169.4 | -58.8 | -73.6 | 0 | 0 | 0 | 110.3 | S91 G92 E205 P206 | S91-Y96 CarbonylContact C-O 3.53Å; S91-Y96 WeakPolarHBondContact CA-O 3.28Å; S91-Y96 VanDerWaalsContact CB-O 3.24Å; S91-Y96 WeakPolarHBondContact CB-O 3.44Å; G92-Y96 PolarHBondContact N-O 3.25Å; G92-Y96 WeakPolarHBondContact O-CD2 3.28Å; Y96-E205 PolarHBondContact OH-OE2 2.94Å; Y96-P206 HydrophobicContact CD1-CG 3.92Å; Y96-P206 HydrophobicContact CD2-CB 3.7Å; Y96-P206 HydrophobicContact CD2-CG 3.66Å; Y96-P206 HydrophobicContact CE1-CG 3.95Å; Y96-P206 HydrophobicContact CE2-CB 3.76Å; Y96-P206 HydrophobicContact CE2-CG 3.69Å; Y96-P206 HydrophobicContact CG-CB 4.26Å; Y96-P206 HydrophobicContact CG-CG 3.78Å |
| 97 | E | 96.7 | Very high | 93.8 | Very high | 76 Ų | 76 | 72.7 Ų | 72.7 | 36% | 0.355 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.5 | 173.9 | -177.1 | -176.8 | 101.3 | 0 | 0 | 109.4 | I89 R99 K111 | I89-E97 HydrophobicContact CG2-CG 3.85Å; E97-R99 IonicContact OE1-CZ 2.75Å; E97-R99 IonicContact OE1-NE 3.53Å; E97-R99 PolarHBondContact OE1-NE 3.18Å; E97-R99 IonicContact OE1-NH2 3.89Å; E97-R99 PolarHBondContact OE1-NH2 2.86Å; E97-K111 WeakPolarHBondContact OE1-CE 3.03Å; E97-K111 IonicContact OE1-NZ 2.99Å; E97-K111 PolarHBondContact OE1-NZ 3.48Å; E97-K111 WeakPolarHBondContact OE2-CE 3.36Å; E97-K111 IonicContact OE2-NZ 3.71Å; E97-K111 PolarHBondContact OE2-NZ 3.28Å |
| 98 | Y | 97.3 | Very high | 93.8 | Very high | 27 Ų | 27 | 80.1 Ų | 80.1 | 11% | 0.106 | 39% | 0.394 | C | S | . | . | trans | -104.5 | 121.1 | 178.2 | -57.6 | -67.2 | 0 | 0 | 0 | 110.6 | M90 R160 V163 | M90-Y98 HydrophobicContact CE-CD2 4.45Å; M90-Y98 HydrophobicContact CG-CD2 4.04Å; M90-Y98 HydrophobicContact CG-CG 4.4Å; M90-Y98 PolarHBondContact O-N 3.21Å; Y98-R160 HydrophobicContact CD1-CG 3.91Å; Y98-R160 HydrophobicContact CD2-CB 4.38Å; Y98-R160 HydrophobicContact CD2-CG 4.49Å; Y98-R160 HydrophobicContact CE1-CG 3.75Å; Y98-R160 HydrophobicContact CE2-CB 4.27Å; Y98-R160 HydrophobicContact CE2-CG 4.34Å; Y98-R160 HydrophobicContact CG-CG 4.28Å; Y98-V163 HydrophobicContact CE2-CG1 4.19Å | ||
| 99 | R | 97.5 | Very high | 93.8 | Very high | 120 Ų | 120 | 79.7 Ų | 79.7 | 45% | 0.453 | 39% | 0.391 | S | S | . | . | trans | -102.7 | 143.4 | 176.6 | -63.1 | -171.9 | -177 | -167.3 | 8.7 | 111.2 | E97 P109 T110 K111 | E97-R99 IonicContact OE1-CZ 2.75Å; E97-R99 IonicContact OE1-NE 3.53Å; E97-R99 PolarHBondContact OE1-NE 3.18Å; E97-R99 IonicContact OE1-NH2 3.89Å; E97-R99 PolarHBondContact OE1-NH2 2.86Å; R99-P109 HydrophobicContact CB-CB 3.91Å; R99-T110 CarbonylContact C-O 3.6Å; R99-T110 WeakPolarHBondContact CA-O 3.46Å; R99-K111 HydrophobicContact CG-CG 4.43Å | ||
| 100 | W | 97.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 79.2 Ų | 79.2 | 1% | 0.008 | 39% | 0.391 | C | S | . | . | B | Isolated β-bridge | trans | -91.9 | 141.7 | 178.8 | -173.9 | -104.1 | 0 | 0 | 0 | 110.9 | D102 Y106 P109 T110 L112 Y117 L120 L121 W124 | W100-D102 HydrophobicContact CZ2-CB 4.17Å; W100-D102 PolarHBondContact NE1-OD2 3.35Å; W100-Y106 AromaticContact CD1-CD2 3.46Å; W100-Y106 VanDerWaalsContact CD1-CD2 3.46Å; W100-Y106 AromaticContact CD1-CG 3.61Å; W100-Y106 AromaticContact NE1-CD2 3.77Å; W100-P109 WeakPolarHBondContact O-CA 3.46Å; W100-T110 PolarHBondContact N-O 3.13Å; W100-T110 PolarHBondContact O-N 3.37Å; W100-L112 HydrophobicContact CB-CD1 3.51Å; W100-L112 HydrophobicContact CB-CG 4.27Å; W100-L112 HydrophobicContact CG-CD1 3.95Å; W100-Y117 HydrophobicContact CB-CD2 3.88Å; W100-Y117 HydrophobicContact CB-CE2 3.89Å; W100-Y117 HydrophobicContact CE3-CD2 4.27Å; W100-Y117 HydrophobicContact CE3-CE1 4.28Å; W100-Y117 AromaticContact CE3-CE2 3.88Å; W100-Y117 HydrophobicContact CE3-CE2 3.88Å; W100-Y117 AromaticContact CE3-CZ 3.86Å; W100-L120 HydrophobicContact CD2-CB 4.2Å; W100-L120 HydrophobicContact CD2-CD1 4.47Å; W100-L120 HydrophobicContact CG-CD1 4.2Å; W100-L120 HydrophobicContact CH2-CB 4.24Å; W100-L120 WeakPolarHBondContact CH2-O 3.3Å; W100-L120 HydrophobicContact CZ2-CB 3.82Å; W100-L121 HydrophobicContact CH2-CB 4.28Å; W100-L121 HydrophobicContact CZ3-CB 3.83Å; W100-L121 HydrophobicContact CZ3-CG 4.44Å; W100-W124 HydrophobicContact CH2-CB 3.81Å; W100-W124 HydrophobicContact CH2-CG 4.12Å; W100-W124 HydrophobicContact CZ2-CB 4.13Å; W100-W124 HydrophobicContact CZ2-CG 4.43Å |
| 101 | Q | 95.1 | Very high | 93.8 | Very high | 88 Ų | 88 | 84.1 Ų | 84.1 | 41% | 0.411 | 41% | 0.412 | S | S | . | . | trans | -156.7 | 124.6 | 172.3 | -169.6 | -174.5 | 6.9 | 0 | 0 | 107.5 | Y106 K107 R157 | Q101-Y106 WeakPolarHBondContact CA-O 3.15Å; Q101-Y106 VanDerWaalsContact CG-O 3.29Å; Q101-Y106 WeakPolarHBondContact CG-O 3.41Å; Q101-K107 PolarHBondContact NE2-O 3.32Å; Q101-R157 PolarHBondContact O-NH2 3.48Å | ||
| 102 | D | 90.9 | Very high | 93.9 | Very high | 43 Ų | 43 | 83.7 Ų | 83.7 | 23% | 0.23 | 41% | 0.408 | C | S | . | . | trans | -119.4 | -15.9 | 175.9 | 48.4 | 28.5 | 0 | 0 | 0 | 112.6 | W100 D104 D105 Y106 | W100-D102 HydrophobicContact CZ2-CB 4.17Å; W100-D102 PolarHBondContact NE1-OD2 3.35Å; D102-D104 PolarHBondContact OD1-N 3.08Å; D102-D104 VanDerWaalsContact OD1-N 3.09Å; D102-D105 PolarHBondContact OD1-N 3.02Å; D102-Y106 PolarHBondContact N-O 2.92Å; D102-Y106 WeakPolarHBondContact OD1-CA 3.46Å; D102-Y106 PolarHBondContact OD1-N 2.96Å; D102-Y106 WeakPolarHBondContact OD2-CD2 3.15Å | ||
| 103 | G | 88.6 | Confident | 94.2 | Very high | 44 Ų | 44 | 84.7 Ų | 84.7 | 45% | 0.454 | 41% | 0.414 | S | S | . | . | S | Bend | trans | 87.7 | -10.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y106 | G103-Y106 PolarHBondContact N-O 3.15Š|
| 104 | D | 90.1 | Very high | 94.6 | Very high | 125 Ų | 125 | 83.7 Ų | 83.7 | 67% | 0.668 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -99.2 | -92.9 | 179.6 | -61.8 | -38.6 | 0 | 0 | 0 | 109 | D102 Y106 K107 | D102-D104 PolarHBondContact OD1-N 3.08Å; D102-D104 VanDerWaalsContact OD1-N 3.09Å; D104-Y106 VanDerWaalsContact C-N 3.35Å; D104-K107 WeakPolarHBondContact O-CG 3.23Å |
| 105 | D | 91.8 | Very high | 95 | Very high | 143 Ų | 143 | 76.9 Ų | 76.9 | 77% | 0.765 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -71.9 | -30.2 | 178.4 | -66.8 | -34.9 | 0 | 0 | 0 | 112.1 | D102 | D102-D105 PolarHBondContact OD1-N 3.02Š|
| 106 | Y | 94.3 | Very high | 95.3 | Very high | 41 Ų | 41 | 70.9 Ų | 70.9 | 16% | 0.161 | 35% | 0.348 | C | S | . | . | trans | -117.4 | 79.5 | -179.8 | -59.6 | -90.2 | 0 | 0 | 0 | 110.5 | W100 Q101 D102 G103 D104 K108 T110 L112 K116 L120 | W100-Y106 AromaticContact CD1-CD2 3.46Å; W100-Y106 VanDerWaalsContact CD1-CD2 3.46Å; W100-Y106 AromaticContact CD1-CG 3.61Å; W100-Y106 AromaticContact NE1-CD2 3.77Å; Q101-Y106 WeakPolarHBondContact CA-O 3.15Å; Q101-Y106 VanDerWaalsContact CG-O 3.29Å; Q101-Y106 WeakPolarHBondContact CG-O 3.41Å; D102-Y106 PolarHBondContact N-O 2.92Å; D102-Y106 WeakPolarHBondContact OD1-CA 3.46Å; D102-Y106 PolarHBondContact OD1-N 2.96Å; D102-Y106 WeakPolarHBondContact OD2-CD2 3.15Å; G103-Y106 PolarHBondContact N-O 3.15Å; D104-Y106 VanDerWaalsContact C-N 3.35Å; Y106-K108 VanDerWaalsContact C-N 3.28Å; Y106-K108 PolarHBondContact O-N 3.46Å; Y106-T110 HydrophobicContact CD1-CG2 3.93Å; Y106-T110 HydrophobicContact CE1-CG2 4.2Å; Y106-L112 HydrophobicContact CE1-CD1 4.1Å; Y106-L112 HydrophobicContact CE1-CD2 3.76Å; Y106-L112 HydrophobicContact CE1-CG 4.41Å; Y106-K116 WeakPolarHBondContact OH-CE 3.42Å; Y106-K116 PolarHBondContact OH-NZ 2.76Å; Y106-K116 VanDerWaalsContact OH-NZ 3.07Å; Y106-L120 HydrophobicContact CD2-CD1 4.41Å; Y106-L120 HydrophobicContact CE2-CD1 3.71Å; Y106-L120 HydrophobicContact CE2-CD2 4.45Å | ||
| 107 | K | 94.5 | Very high | 95.5 | Very high | 159 Ų | 159 | 67.7 Ų | 67.7 | 69% | 0.691 | 34% | 0.335 | S | S | * | . | trans | -65.9 | -26.3 | -179.2 | -61.7 | -175.2 | 179.7 | 179.6 | 0 | 114.1 | Q101 D104 | Q101-K107 PolarHBondContact NE2-O 3.32Å; D104-K107 WeakPolarHBondContact O-CG 3.23Å | ||
| 108 | K | 96.4 | Very high | 95.5 | Very high | 162 Ų | 162 | 64 Ų | 64 | 70% | 0.704 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -121.3 | 152.4 | 179.1 | -64.4 | -179.1 | -178.5 | 178.6 | 0 | 110.3 | Y106 T110 | Y106-K108 VanDerWaalsContact C-N 3.28Å; Y106-K108 PolarHBondContact O-N 3.46Å; K108-T110 PolarHBondContact O-N 3.38Å; K108-T110 PolarHBondContact O-OG1 3.07Å |
| 109 | P | 97.3 | Very high | 95.3 | Very high | 70 Ų | 70 | 65.9 Ų | 65.9 | 46% | 0.455 | 33% | 0.33 | S | S | . | . | trans | -53.6 | 108.3 | 173.6 | -26.9 | 35.1 | 0 | 0 | 0 | 112.1 | R99 W100 | R99-P109 HydrophobicContact CB-CB 3.91Å; W100-P109 WeakPolarHBondContact O-CA 3.46Å | ||
| 110 | T | 97.8 | Very high | 95.2 | Very high | 48 Ų | 48 | 62 Ų | 62 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | B | Isolated β-bridge | trans | -112.8 | 136.4 | -170.7 | -60.5 | 0 | 0 | 0 | 0 | 110.7 | R99 W100 Y106 K108 L112 | R99-T110 CarbonylContact C-O 3.6Å; R99-T110 WeakPolarHBondContact CA-O 3.46Å; W100-T110 PolarHBondContact N-O 3.13Å; W100-T110 PolarHBondContact O-N 3.37Å; Y106-T110 HydrophobicContact CD1-CG2 3.93Å; Y106-T110 HydrophobicContact CE1-CG2 4.2Å; K108-T110 PolarHBondContact O-N 3.38Å; K108-T110 PolarHBondContact O-OG1 3.07Å; T110-L112 HydrophobicContact CG2-CD2 4.14Å; T110-L112 HydrophobicContact CG2-CG 4.46Å |
| 111 | K | 97.7 | Very high | 95.2 | Very high | 103 Ų | 103 | 61.9 Ų | 61.9 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | trans | -73.7 | 130.7 | 171.9 | -60.4 | -167.8 | -175 | -148.6 | 0 | 109 | I89 E97 R99 | I89-K111 HydrophobicContact CD1-CD 4.47Å; E97-K111 WeakPolarHBondContact OE1-CE 3.03Å; E97-K111 IonicContact OE1-NZ 2.99Å; E97-K111 PolarHBondContact OE1-NZ 3.48Å; E97-K111 WeakPolarHBondContact OE2-CE 3.36Å; E97-K111 IonicContact OE2-NZ 3.71Å; E97-K111 PolarHBondContact OE2-NZ 3.28Å; R99-K111 HydrophobicContact CG-CG 4.43Å | ||
| 112 | L | 97.8 | Very high | 95.2 | Very high | 10 Ų | 10 | 57.9 Ų | 57.9 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | trans | -133.6 | 150.1 | 178.1 | -66.4 | -179.3 | 0 | 0 | 0 | 110.2 | I89 M90 W100 Y106 T110 K116 L120 | I89-L112 CarbonylContact C-O 3.55Å; I89-L112 WeakPolarHBondContact CA-O 3.48Å; M90-L112 PolarHBondContact N-O 3.06Å; W100-L112 HydrophobicContact CB-CD1 3.51Å; W100-L112 HydrophobicContact CB-CG 4.27Å; W100-L112 HydrophobicContact CG-CD1 3.95Å; Y106-L112 HydrophobicContact CE1-CD1 4.1Å; Y106-L112 HydrophobicContact CE1-CD2 3.76Å; Y106-L112 HydrophobicContact CE1-CG 4.41Å; T110-L112 HydrophobicContact CG2-CD2 4.14Å; T110-L112 HydrophobicContact CG2-CG 4.46Å; L112-K116 HydrophobicContact CD2-CD 4.17Å; L112-L120 HydrophobicContact CD1-CD1 3.5Å; L112-L120 VanDerWaalsContact CD1-CD1 3.5Å | ||
| 113 | P | 97.9 | Very high | 95.3 | Very high | 24 Ų | 24 | 59.8 Ų | 59.8 | 16% | 0.156 | 31% | 0.309 | C | S | . | . | trans | -53.6 | 145.8 | 164.4 | -23.8 | 34 | 0 | 0 | 0 | 111.4 | E84 P88 L115 K116 Y117 | E84-P113 HydrophobicContact CB-CB 4.37Å; E84-P113 HydrophobicContact CG-CB 3.8Å; E84-P113 HydrophobicContact CG-CG 3.95Å; P88-P113 VanDerWaalsContact O-CA 3.29Å; P88-P113 WeakPolarHBondContact O-CA 3.22Å; P113-L115 VanDerWaalsContact C-N 3.35Å; P113-L115 PolarHBondContact O-N 3.42Å; P113-K116 HydrophobicContact CB-CB 4.45Å; P113-K116 PolarHBondContact O-N 3.25Å; P113-K116 VanDerWaalsContact O-N 3.15Å; P113-Y117 PolarHBondContact O-N 3.43Å | ||
| 114 | A | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.6 | -43.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C87 M90 K116 Y117 M118 H164 | C87-A114 HydrophobicContact CB-CB 3.59Å; C87-A114 PolarHBondContact O-N 3.19Å; M90-A114 HydrophobicContact CB-CB 4.41Å; M90-A114 HydrophobicContact SD-CB 3.79Å; A114-K116 PolarHBondContact O-N 3.17Å; A114-Y117 WeakPolarHBondContact O-CB 3.19Å; A114-Y117 PolarHBondContact O-N 2.96Å; A114-M118 HydrophobicContact CB-CE 4.33Å; A114-M118 WeakPolarHBondContact O-CB 3.44Å; A114-M118 WeakPolarHBondContact O-CG 3.45Å; A114-M118 PolarHBondContact O-N 3.42Å; A114-H164 WeakPolarHBondContact CB-CE1 3.34Å; A114-H164 WeakPolarHBondContact CB-NE2 3.43Å |
| 115 | L | 94.9 | Very high | 96 | Very high | 47 Ų | 47 | 54 Ų | 54 | 25% | 0.246 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 176.9 | -173.2 | 70 | 0 | 0 | 0 | 111.9 | Y75 C82 P113 M118 N119 | Y75-L115 HydrophobicContact CE2-CD1 3.99Å; Y75-L115 WeakPolarHBondContact OH-CD1 3.1Å; C82-L115 HydrophobicContact CB-CD1 4.46Å; P113-L115 VanDerWaalsContact C-N 3.35Å; P113-L115 PolarHBondContact O-N 3.42Å; L115-M118 PolarHBondContact O-N 3.14Å; L115-N119 PolarHBondContact O-N 2.9Å; L115-N119 PolarHBondContact O-ND2 3.5Å |
| 116 | K | 95.9 | Very high | 96.1 | Very high | 89 Ų | 89 | 48.5 Ų | 48.5 | 39% | 0.387 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.8 | -41.8 | 178.2 | -173.3 | 171.9 | 179.6 | -174.5 | 0 | 111.7 | Y106 L112 P113 A114 L120 | Y106-K116 WeakPolarHBondContact OH-CE 3.42Å; Y106-K116 PolarHBondContact OH-NZ 2.76Å; Y106-K116 VanDerWaalsContact OH-NZ 3.07Å; L112-K116 HydrophobicContact CD2-CD 4.17Å; P113-K116 HydrophobicContact CB-CB 4.45Å; P113-K116 PolarHBondContact O-N 3.25Å; P113-K116 VanDerWaalsContact O-N 3.15Å; A114-K116 PolarHBondContact O-N 3.17Å; K116-L120 HydrophobicContact CG-CD1 4.38Å; K116-L120 WeakPolarHBondContact O-CG 3.44Å; K116-L120 PolarHBondContact O-N 2.81Å; K116-L120 VanDerWaalsContact O-N 3.16Å |
| 117 | Y | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 174.6 | -174.7 | -77 | 0 | 0 | 0 | 111.6 | M90 W100 P113 A114 N119 L120 L121 R160 | M90-Y117 HydrophobicContact CB-CD1 4.25Å; M90-Y117 HydrophobicContact CB-CD2 3.81Å; M90-Y117 HydrophobicContact CB-CE2 4.49Å; M90-Y117 HydrophobicContact CB-CG 3.68Å; M90-Y117 HydrophobicContact CE-CD1 4.12Å; M90-Y117 HydrophobicContact CE-CE1 4.34Å; M90-Y117 HydrophobicContact CG-CD1 3.57Å; M90-Y117 HydrophobicContact CG-CD2 3.92Å; M90-Y117 HydrophobicContact CG-CE1 4.01Å; M90-Y117 HydrophobicContact CG-CE2 4.32Å; M90-Y117 HydrophobicContact CG-CG 3.54Å; M90-Y117 HydrophobicContact SD-CD1 4.01Å; M90-Y117 HydrophobicContact SD-CG 4.3Å; W100-Y117 HydrophobicContact CB-CD2 3.88Å; W100-Y117 HydrophobicContact CB-CE2 3.89Å; W100-Y117 HydrophobicContact CE3-CD2 4.27Å; W100-Y117 HydrophobicContact CE3-CE1 4.28Å; W100-Y117 AromaticContact CE3-CE2 3.88Å; W100-Y117 HydrophobicContact CE3-CE2 3.88Å; W100-Y117 AromaticContact CE3-CZ 3.86Å; P113-Y117 PolarHBondContact O-N 3.43Å; A114-Y117 WeakPolarHBondContact O-CB 3.19Å; A114-Y117 PolarHBondContact O-N 2.96Å; Y117-N119 PolarHBondContact O-N 2.85Å; Y117-L120 PolarHBondContact O-N 3.35Å; Y117-L121 HydrophobicContact CD1-CB 4.47Å; Y117-L121 HydrophobicContact CD1-CD1 4.27Å; Y117-L121 HydrophobicContact CE1-CB 4.42Å; Y117-L121 HydrophobicContact CE1-CD1 3.6Å; Y117-L121 VanDerWaalsContact O-CB 3.3Å; Y117-L121 WeakPolarHBondContact O-CB 3.37Å; Y117-L121 PolarHBondContact O-N 2.89Å; Y117-R160 PolarHBondContact OH-NH1 3.15Å |
| 118 | M | 95.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.2 | -39.7 | -178.4 | -72.4 | -173.5 | -71.8 | 0 | 0 | 111.7 | Y75 C82 M90 A114 L115 L121 M122 V161 | Y75-M118 HydrophobicContact CD2-CB 4Å; Y75-M118 HydrophobicContact CD2-CE 4.15Å; Y75-M118 HydrophobicContact CD2-SD 3.82Å; Y75-M118 HydrophobicContact CE2-CB 3.81Å; Y75-M118 HydrophobicContact CE2-CE 4.03Å; Y75-M118 HydrophobicContact CE2-SD 4.21Å; C82-M118 HydrophobicContact CB-CE 4.4Å; M90-M118 HydrophobicContact CE-CG 4.18Å; M90-M118 HydrophobicContact SD-CG 4.18Å; A114-M118 HydrophobicContact CB-CE 4.33Å; A114-M118 WeakPolarHBondContact O-CB 3.44Å; A114-M118 WeakPolarHBondContact O-CG 3.45Å; A114-M118 PolarHBondContact O-N 3.42Å; L115-M118 PolarHBondContact O-N 3.14Å; M118-L121 WeakPolarHBondContact O-CB 3.3Å; M118-L121 PolarHBondContact O-N 3.08Å; M118-M122 WeakPolarHBondContact O-CG 3.33Å; M118-M122 PolarHBondContact O-N 3.34Å; M118-V161 HydrophobicContact SD-CG1 4.4Å |
| 119 | N | 94.2 | Very high | 96 | Very high | 65 Ų | 65 | 36.9 Ų | 36.9 | 35% | 0.348 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.2 | -54.1 | 173.5 | -76.1 | -31.3 | 0 | 0 | 0 | 112 | Y75 L115 Y117 L121 M122 D123 | Y75-N119 PolarHBondContact OH-OD1 3.26Å; L115-N119 PolarHBondContact O-N 2.9Å; L115-N119 PolarHBondContact O-ND2 3.5Å; Y117-N119 PolarHBondContact O-N 2.85Å; N119-L121 PolarHBondContact O-N 3.32Å; N119-M122 PolarHBondContact O-N 2.92Å; N119-M122 VanDerWaalsContact O-N 3.13Å; N119-D123 PolarHBondContact O-N 3.25Å |
| 120 | L | 96.2 | Very high | 95.7 | Very high | 38 Ų | 38 | 35.8 Ų | 35.8 | 20% | 0.199 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.4 | -36.9 | 177.7 | -67.6 | 169.9 | 0 | 0 | 0 | 112.1 | W100 Y106 L112 K116 Y117 W124 | W100-L120 HydrophobicContact CD2-CB 4.2Å; W100-L120 HydrophobicContact CD2-CD1 4.47Å; W100-L120 HydrophobicContact CG-CD1 4.2Å; W100-L120 HydrophobicContact CH2-CB 4.24Å; W100-L120 WeakPolarHBondContact CH2-O 3.3Å; W100-L120 HydrophobicContact CZ2-CB 3.82Å; Y106-L120 HydrophobicContact CD2-CD1 4.41Å; Y106-L120 HydrophobicContact CE2-CD1 3.71Å; Y106-L120 HydrophobicContact CE2-CD2 4.45Å; L112-L120 HydrophobicContact CD1-CD1 3.5Å; L112-L120 VanDerWaalsContact CD1-CD1 3.5Å; K116-L120 HydrophobicContact CG-CD1 4.38Å; K116-L120 WeakPolarHBondContact O-CG 3.44Å; K116-L120 PolarHBondContact O-N 2.81Å; K116-L120 VanDerWaalsContact O-N 3.16Å; Y117-L120 PolarHBondContact O-N 3.35Å; L120-W124 WeakPolarHBondContact O-CB 3.5Å; L120-W124 PolarHBondContact O-N 2.87Å |
| 121 | L | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.8 | -47.7 | 176.1 | -179.1 | 150.9 | 0 | 0 | 0 | 112 | W100 Y117 M118 N119 W124 I125 R157 L158 V161 | W100-L121 HydrophobicContact CH2-CB 4.28Å; W100-L121 HydrophobicContact CZ3-CB 3.83Å; W100-L121 HydrophobicContact CZ3-CG 4.44Å; Y117-L121 HydrophobicContact CD1-CB 4.47Å; Y117-L121 HydrophobicContact CD1-CD1 4.27Å; Y117-L121 HydrophobicContact CE1-CB 4.42Å; Y117-L121 HydrophobicContact CE1-CD1 3.6Å; Y117-L121 VanDerWaalsContact O-CB 3.3Å; Y117-L121 WeakPolarHBondContact O-CB 3.37Å; Y117-L121 PolarHBondContact O-N 2.89Å; M118-L121 WeakPolarHBondContact O-CB 3.3Å; M118-L121 PolarHBondContact O-N 3.08Å; N119-L121 PolarHBondContact O-N 3.32Å; L121-W124 PolarHBondContact O-N 3.19Å; L121-I125 HydrophobicContact CD2-CD1 3.51Å; L121-I125 HydrophobicContact CD2-CG1 4.45Å; L121-I125 HydrophobicContact CG-CD1 4.14Å; L121-I125 VanDerWaalsContact O-CG1 3.27Å; L121-I125 WeakPolarHBondContact O-CG1 3.33Å; L121-I125 PolarHBondContact O-N 3.31Å; L121-R157 HydrophobicContact CD1-CB 3.75Å; L121-R157 HydrophobicContact CD1-CG 4.44Å; L121-R157 WeakPolarHBondContact CD1-O 3.23Å; L121-R157 HydrophobicContact CG-CB 4.24Å; L121-L158 HydrophobicContact CD2-CD2 4.48Å; L121-V161 HydrophobicContact CD2-CG2 4Å |
| 122 | M | 94.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.02 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.4 | -45.1 | 179.7 | -66.1 | -52.6 | 178.9 | 0 | 0 | 111.1 | F68 I71 N72 Y75 M118 N119 W124 I125 E126 V161 | F68-M122 HydrophobicContact CD2-SD 4.27Å; F68-M122 HydrophobicContact CE2-CB 4.36Å; F68-M122 HydrophobicContact CE2-SD 3.88Å; I71-M122 HydrophobicContact CG2-CE 4.21Å; N72-M122 HydrophobicContact CB-SD 4.36Å; Y75-M122 HydrophobicContact CD1-CE 4.3Å; Y75-M122 HydrophobicContact CD1-CG 4.15Å; Y75-M122 HydrophobicContact CG-CE 4.04Å; M118-M122 WeakPolarHBondContact O-CG 3.33Å; M118-M122 PolarHBondContact O-N 3.34Å; N119-M122 PolarHBondContact O-N 2.92Å; N119-M122 VanDerWaalsContact O-N 3.13Å; M122-W124 VanDerWaalsContact C-N 3.34Å; M122-W124 PolarHBondContact O-N 3.29Å; M122-I125 PolarHBondContact O-N 2.87Å; M122-E126 WeakPolarHBondContact O-CB 3.37Å; M122-E126 PolarHBondContact O-N 3.44Å; M122-V161 HydrophobicContact CE-CG1 4.27Å; M122-V161 HydrophobicContact CE-CG2 3.92Å |
| 123 | D | 94.3 | Very high | 95.1 | Very high | 83 Ų | 83 | 41.7 Ų | 41.7 | 44% | 0.444 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.5 | -42.4 | 177.5 | -66.9 | -18.3 | 0 | 0 | 0 | 111.7 | N119 E126 T127 | N119-D123 PolarHBondContact O-N 3.25Å; D123-E126 PolarHBondContact O-N 3.37Å; D123-T127 WeakPolarHBondContact O-CB 3.45Å; D123-T127 PolarHBondContact O-N 2.91Å; D123-T127 PolarHBondContact O-OG1 2.6Å |
| 124 | W | 95.9 | Very high | 95 | Very high | 48 Ų | 48 | 41.7 Ų | 41.7 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.7 | -46.1 | 177.1 | 178.4 | 82.7 | 0 | 0 | 0 | 111.7 | W100 L120 L121 M122 E126 N128 K153 I154 R157 | W100-W124 HydrophobicContact CH2-CB 3.81Å; W100-W124 HydrophobicContact CH2-CG 4.12Å; W100-W124 HydrophobicContact CZ2-CB 4.13Å; W100-W124 HydrophobicContact CZ2-CG 4.43Å; L120-W124 WeakPolarHBondContact O-CB 3.5Å; L120-W124 PolarHBondContact O-N 2.87Å; L121-W124 PolarHBondContact O-N 3.19Å; M122-W124 VanDerWaalsContact C-N 3.34Å; M122-W124 PolarHBondContact O-N 3.29Å; W124-E126 VanDerWaalsContact C-N 3.34Å; W124-N128 VanDerWaalsContact CE2-ND2 3.32Å; W124-N128 PolarHBondContact O-N 2.89Å; W124-N128 PolarHBondContact O-ND2 3.25Å; W124-K153 HydrophobicContact CH2-CB 4.38Å; W124-K153 HydrophobicContact CH2-CD 3.87Å; W124-K153 HydrophobicContact CH2-CG 3.82Å; W124-K153 HydrophobicContact CZ2-CD 4.03Å; W124-K153 HydrophobicContact CZ2-CG 4.47Å; W124-I154 HydrophobicContact CH2-CG1 3.95Å; W124-I154 HydrophobicContact CZ3-CG1 3.74Å; W124-R157 VanDerWaalsContact CD2-NH1 3.35Å |
| 125 | I | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.6 | -44.5 | 177.6 | -64.9 | 171.2 | 0 | 0 | 0 | 109.9 | F68 L121 M122 T127 N128 I129 I154 L158 | F68-I125 HydrophobicContact CB-CG2 4.2Å; F68-I125 HydrophobicContact CD2-CB 3.89Å; F68-I125 HydrophobicContact CD2-CD1 4.42Å; F68-I125 HydrophobicContact CD2-CG2 3.38Å; F68-I125 HydrophobicContact CE2-CB 3.98Å; F68-I125 HydrophobicContact CE2-CG2 3.92Å; F68-I125 HydrophobicContact CG-CG2 3.87Å; L121-I125 HydrophobicContact CD2-CD1 3.51Å; L121-I125 HydrophobicContact CD2-CG1 4.45Å; L121-I125 HydrophobicContact CG-CD1 4.14Å; L121-I125 VanDerWaalsContact O-CG1 3.27Å; L121-I125 WeakPolarHBondContact O-CG1 3.33Å; L121-I125 PolarHBondContact O-N 3.31Å; M122-I125 PolarHBondContact O-N 2.87Å; I125-T127 VanDerWaalsContact C-N 3.32Å; I125-T127 PolarHBondContact O-N 3.04Å; I125-N128 WeakPolarHBondContact O-CB 3.44Å; I125-N128 PolarHBondContact O-N 3.09Å; I125-I129 HydrophobicContact CG2-CG2 4.12Å; I125-I129 PolarHBondContact O-N 2.9Å; I125-I154 HydrophobicContact CD1-CG2 4.12Å; I125-I154 HydrophobicContact CG1-CG1 4.48Å; I125-I154 HydrophobicContact CG1-CG2 4.09Å; I125-I154 HydrophobicContact CG2-CG2 3.7Å; I125-L158 HydrophobicContact CD1-CD1 4.34Å; I125-L158 HydrophobicContact CD1-CD2 3.51Å; I125-L158 HydrophobicContact CD1-CG 3.6Å |
| 126 | E | 93.6 | Very high | 94.8 | Very high | 27 Ų | 27 | 40 Ų | 40 | 13% | 0.126 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | -178 | -154.9 | -138.9 | 176.2 | 0 | 0 | 111.6 | F15 P17 F68 M122 D123 W124 N128 I129 N130 | F15-E126 HydrophobicContact CE1-CB 4.23Å; F15-E126 HydrophobicContact CE1-CG 3.79Å; F15-E126 WeakPolarHBondContact CE1-OE2 3.32Å; F15-E126 VanDerWaalsContact CZ-CD 3.41Å; F15-E126 HydrophobicContact CZ-CG 4.43Å; F15-E126 WeakPolarHBondContact CZ-OE2 3.39Å; P17-E126 HydrophobicContact CB-CG 4.47Å; F68-E126 HydrophobicContact CE1-CB 4.33Å; F68-E126 HydrophobicContact CE1-CG 4.02Å; F68-E126 HydrophobicContact CZ-CB 3.8Å; F68-E126 HydrophobicContact CZ-CG 3.92Å; M122-E126 WeakPolarHBondContact O-CB 3.37Å; M122-E126 PolarHBondContact O-N 3.44Å; D123-E126 PolarHBondContact O-N 3.37Å; W124-E126 VanDerWaalsContact C-N 3.34Å; E126-N128 VanDerWaalsContact C-N 3.27Å; E126-N128 PolarHBondContact O-N 2.95Å; E126-I129 HydrophobicContact CG-CD1 4.49Å; E126-I129 VanDerWaalsContact O-CG1 3.28Å; E126-I129 WeakPolarHBondContact O-CG1 3.45Å; E126-I129 PolarHBondContact O-N 3.15Å; E126-N130 VanDerWaalsContact CD-ND2 3.33Å; E126-N130 WeakPolarHBondContact CG-ND2 3.49Å; E126-N130 VanDerWaalsContact O-CB 3.27Å; E126-N130 WeakPolarHBondContact O-CB 3.31Å; E126-N130 VanDerWaalsContact O-CG 3.3Å; E126-N130 PolarHBondContact O-N 3.38Å; E126-N130 PolarHBondContact O-ND2 2.93Å; E126-N130 VanDerWaalsContact O-ND2 3.14Å; E126-N130 PolarHBondContact OE1-ND2 3.37Å; E126-N130 VanDerWaalsContact OE1-ND2 3.09Å |
| 127 | T | 93.9 | Very high | 94.1 | Very high | 94 Ų | 94 | 37.8 Ų | 37.8 | 58% | 0.577 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -57.4 | -41.4 | 174.1 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | D123 I125 N131 | D123-T127 WeakPolarHBondContact O-CB 3.45Å; D123-T127 PolarHBondContact O-N 2.91Å; D123-T127 PolarHBondContact O-OG1 2.6Å; I125-T127 VanDerWaalsContact C-N 3.32Å; I125-T127 PolarHBondContact O-N 3.04Å; T127-N131 WeakPolarHBondContact O-CB 3.34Å; T127-N131 PolarHBondContact O-N 3Å; T127-N131 VanDerWaalsContact O-N 3.15Å |
| 128 | N | 95.2 | Very high | 93.4 | Very high | 23 Ų | 23 | 46.1 Ų | 46.1 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.8 | -46.3 | 179.4 | -80.8 | -91.3 | 0 | 0 | 0 | 112.7 | W124 I125 E126 N130 N131 I134 F135 I154 | W124-N128 VanDerWaalsContact CE2-ND2 3.32Å; W124-N128 PolarHBondContact O-N 2.89Å; W124-N128 PolarHBondContact O-ND2 3.25Å; I125-N128 WeakPolarHBondContact O-CB 3.44Å; I125-N128 PolarHBondContact O-N 3.09Å; E126-N128 VanDerWaalsContact C-N 3.27Å; E126-N128 PolarHBondContact O-N 2.95Å; N128-N130 VanDerWaalsContact C-N 3.27Å; N128-N130 PolarHBondContact O-N 2.93Å; N128-N131 WeakPolarHBondContact O-CB 3.43Å; N128-N131 PolarHBondContact O-N 3.4Å; N128-I134 WeakPolarHBondContact OD1-CD1 3.47Å; N128-F135 VanDerWaalsContact O-CD2 3.3Å; N128-F135 WeakPolarHBondContact O-CD2 3.47Å; N128-I154 HydrophobicContact CB-CD1 4.1Å |
| 129 | I | 94.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.9 | -27.2 | -179.3 | 66.6 | 177.8 | 0 | 0 | 0 | 112.4 | P17 K19 V64 V65 F68 I125 E126 F135 I154 | P17-I129 HydrophobicContact CB-CD1 4.3Å; K19-I129 WeakPolarHBondContact CD-O 3.18Å; K19-I129 PolarHBondContact NZ-O 3.25Å; V64-I129 HydrophobicContact CG1-CG2 4.31Å; V65-I129 HydrophobicContact CG2-CB 4.26Å; V65-I129 HydrophobicContact CG2-CG2 4.36Å; F68-I129 HydrophobicContact CD1-CD1 3.34Å; F68-I129 HydrophobicContact CE1-CD1 3.63Å; F68-I129 HydrophobicContact CG-CD1 4.01Å; F68-I129 HydrophobicContact CZ-CD1 4.5Å; I125-I129 HydrophobicContact CG2-CG2 4.12Å; I125-I129 PolarHBondContact O-N 2.9Å; E126-I129 HydrophobicContact CG-CD1 4.49Å; E126-I129 VanDerWaalsContact O-CG1 3.28Å; E126-I129 WeakPolarHBondContact O-CG1 3.45Å; E126-I129 PolarHBondContact O-N 3.15Å; I129-F135 HydrophobicContact CG2-CE1 4.36Å; I129-F135 HydrophobicContact CG2-CE2 4.11Å; I129-F135 HydrophobicContact CG2-CZ 3.99Å; I129-F135 WeakPolarHBondContact O-CB 3.32Å; I129-I154 HydrophobicContact CG2-CD1 4.42Å |
| 130 | N | 91.3 | Very high | 92.2 | Very high | 48 Ų | 48 | 53 Ų | 53 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -81.7 | -20 | 176.2 | -72 | -32.9 | 0 | 0 | 0 | 112.9 | E126 N128 E132 | E126-N130 VanDerWaalsContact CD-ND2 3.33Å; E126-N130 WeakPolarHBondContact CG-ND2 3.49Å; E126-N130 VanDerWaalsContact O-CB 3.27Å; E126-N130 WeakPolarHBondContact O-CB 3.31Å; E126-N130 VanDerWaalsContact O-CG 3.3Å; E126-N130 PolarHBondContact O-N 3.38Å; E126-N130 PolarHBondContact O-ND2 2.93Å; E126-N130 VanDerWaalsContact O-ND2 3.14Å; E126-N130 PolarHBondContact OE1-ND2 3.37Å; E126-N130 VanDerWaalsContact OE1-ND2 3.09Å; N128-N130 VanDerWaalsContact C-N 3.27Å; N128-N130 PolarHBondContact O-N 2.93Å; N130-E132 PolarHBondContact O-N 3.21Å |
| 131 | N | 93.1 | Very high | 91.9 | Very high | 60 Ų | 60 | 54.6 Ų | 54.6 | 32% | 0.321 | 30% | 0.301 | S | S | . | . | trans | -69.9 | 111.6 | 178.2 | -173.4 | -18.1 | 0 | 0 | 0 | 111.6 | T127 N128 N133 I134 F135 | T127-N131 WeakPolarHBondContact O-CB 3.34Å; T127-N131 PolarHBondContact O-N 3Å; T127-N131 VanDerWaalsContact O-N 3.15Å; N128-N131 WeakPolarHBondContact O-CB 3.43Å; N128-N131 PolarHBondContact O-N 3.4Å; N131-N133 PolarHBondContact O-N 3.45Å; N131-N133 VanDerWaalsContact OD1-CB 3.29Å; N131-N133 WeakPolarHBondContact OD1-CB 3.45Å; N131-N133 PolarHBondContact OD1-N 3.1Å; N131-N133 PolarHBondContact OD1-ND2 3.44Å; N131-I134 HydrophobicContact CB-CB 4.38Å; N131-I134 HydrophobicContact CB-CD1 4.14Å; N131-I134 HydrophobicContact CB-CG1 4.17Å; N131-I134 PolarHBondContact O-N 2.84Å; N131-F135 PolarHBondContact O-N 2.94Å | ||
| 132 | E | 92.8 | Very high | 91.8 | Very high | 91 Ų | 91 | 59.8 Ų | 59.8 | 43% | 0.425 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -19.6 | -180 | -64.6 | -165.3 | 163.7 | 0 | 0 | 114 | N130 I134 P136 T137 | N130-E132 PolarHBondContact O-N 3.21Å; E132-I134 PolarHBondContact O-N 3.15Å; E132-P136 WeakPolarHBondContact O-CA 3.06Å; E132-P136 WeakPolarHBondContact O-CB 3.45Å; E132-T137 PolarHBondContact OE1-OG1 3.13Å; E132-T137 VanDerWaalsContact OE1-OG1 3.1Å |
| 133 | N | 95 | Very high | 91.8 | Very high | 134 Ų | 134 | 60.9 Ų | 60.9 | 72% | 0.717 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -18 | 173.2 | -58.6 | -54.4 | 0 | 0 | 0 | 112.4 | N131 P144 | N131-N133 PolarHBondContact O-N 3.45Å; N131-N133 VanDerWaalsContact OD1-CB 3.29Å; N131-N133 WeakPolarHBondContact OD1-CB 3.45Å; N131-N133 PolarHBondContact OD1-N 3.1Å; N131-N133 PolarHBondContact OD1-ND2 3.44Å; N133-P144 WeakPolarHBondContact O-CD 3.44Å; N133-P144 WeakPolarHBondContact O-CG 3.23Å |
| 134 | I | 95.5 | Very high | 92 | Very high | 23 Ų | 23 | 58.7 Ų | 58.7 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -47.5 | 177.7 | -54.4 | 178.4 | 0 | 0 | 0 | 110.3 | N128 N131 E132 P136 P144 F147 V150 | N128-I134 WeakPolarHBondContact OD1-CD1 3.47Å; N131-I134 HydrophobicContact CB-CB 4.38Å; N131-I134 HydrophobicContact CB-CD1 4.14Å; N131-I134 HydrophobicContact CB-CG1 4.17Å; N131-I134 PolarHBondContact O-N 2.84Å; E132-I134 PolarHBondContact O-N 3.15Å; I134-P136 VanDerWaalsContact C-CD 3.48Å; I134-P136 VanDerWaalsContact O-CD 3.26Å; I134-P136 WeakPolarHBondContact O-CD 3.19Å; I134-P144 WeakPolarHBondContact O-CD 3.46Å; I134-F147 HydrophobicContact CG2-CD2 4.46Å; I134-F147 WeakPolarHBondContact O-CD2 2.97Å; I134-V150 HydrophobicContact CG2-CB 4.36Å; I134-V150 HydrophobicContact CG2-CG1 3.93Å |
| 135 | F | 95.2 | Very high | 92.1 | Very high | 6 Ų | 6 | 67.2 Ų | 67.2 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -116.9 | 74.9 | 179.5 | -73.5 | -103.8 | 0 | 0 | 0 | 110.1 | K19 A61 V64 V65 N128 I129 N131 T137 F147 I154 | K19-F135 PolarHBondContact NZ-O 3Å; A61-F135 HydrophobicContact CB-CD1 4Å; A61-F135 HydrophobicContact CB-CE1 4.06Å; V64-F135 HydrophobicContact CB-CE1 4.47Å; V64-F135 HydrophobicContact CG1-CE1 4.3Å; V64-F135 HydrophobicContact CG1-CZ 4Å; V65-F135 HydrophobicContact CG2-CE1 4.43Å; N128-F135 VanDerWaalsContact O-CD2 3.3Å; N128-F135 WeakPolarHBondContact O-CD2 3.47Å; I129-F135 HydrophobicContact CG2-CE1 4.36Å; I129-F135 HydrophobicContact CG2-CE2 4.11Å; I129-F135 HydrophobicContact CG2-CZ 3.99Å; I129-F135 WeakPolarHBondContact O-CB 3.32Å; N131-F135 PolarHBondContact O-N 2.94Å; F135-T137 PolarHBondContact O-N 2.95Å; F135-F147 HydrophobicContact CD1-CE2 4.06Å; F135-F147 HydrophobicContact CD2-CE2 4.4Å; F135-F147 AromaticContact CE1-CE2 3.8Å; F135-F147 HydrophobicContact CE1-CE2 3.8Å; F135-F147 HydrophobicContact CE1-CZ 4.2Å; F135-F147 HydrophobicContact CE2-CE2 4.15Å; F135-F147 HydrophobicContact CG-CE2 4.36Å; F135-F147 AromaticContact CZ-CE2 3.83Å; F135-F147 HydrophobicContact CZ-CE2 3.83Å; F135-F147 HydrophobicContact CZ-CZ 4.47Å; F135-I154 HydrophobicContact CE2-CD1 4.22Å; F135-I154 HydrophobicContact CZ-CD1 4.24Å |
| 136 | P | 92.3 | Very high | 92.1 | Very high | 6 Ų | 6 | 70.8 Ų | 70.8 | 4% | 0.039 | 39% | 0.388 | C | S | . | . | trans | -66.4 | 124.5 | -173.3 | 25.9 | -34.8 | 0 | 0 | 0 | 111.6 | R27 E132 I134 V141 F143 | R27-P136 PolarHBondContact NH1-O 3.18Å; R27-P136 PolarHBondContact NH2-O 3.16Å; E132-P136 WeakPolarHBondContact O-CA 3.06Å; E132-P136 WeakPolarHBondContact O-CB 3.45Å; I134-P136 VanDerWaalsContact C-CD 3.48Å; I134-P136 VanDerWaalsContact O-CD 3.26Å; I134-P136 WeakPolarHBondContact O-CD 3.19Å; P136-V141 HydrophobicContact CB-CB 3.98Å; P136-V141 HydrophobicContact CB-CG1 3.59Å; P136-V141 HydrophobicContact CG-CG1 4.38Å; P136-F143 HydrophobicContact CG-CD1 4.03Å; P136-F143 HydrophobicContact CG-CE1 4.3Å; P136-F143 HydrophobicContact CG-CG 4.27Å | ||
| 137 | T | 82.8 | Confident | 92.3 | Very high | 43 Ų | 43 | 69.6 Ų | 69.6 | 26% | 0.264 | 38% | 0.382 | S | S | . | . | trans | -84.5 | -25 | -176 | 44.2 | 0 | 0 | 0 | 0 | 114 | K19 E132 F135 | K19-T137 HydrophobicContact CD-CG2 4.41Å; E132-T137 PolarHBondContact OE1-OG1 3.13Å; E132-T137 VanDerWaalsContact OE1-OG1 3.1Å; F135-T137 PolarHBondContact O-N 2.95Å | ||
| 138 | R | 82.9 | Confident | 92.5 | Very high | 174 Ų | 174 | 68.6 Ų | 68.6 | 66% | 0.657 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -81.2 | 134.2 | -172.3 | -59.2 | 179.7 | -168.8 | 179.7 | 2.8 | 111 | G140 V141 | R138-G140 PolarHBondContact O-N 3.44Å; R138-V141 HydrophobicContact CB-CG2 3.81Å; R138-V141 PolarHBondContact O-N 3.32Å |
| 139 | V | 80.5 | Confident | 92.6 | Very high | 134 Ų | 134 | 74.3 Ų | 74.3 | 81% | 0.812 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 134.1 | 173.8 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | V141 | V139-V141 VanDerWaalsContact C-N 3.33Å; V139-V141 PolarHBondContact O-N 3.37Å |
| 140 | G | 83.6 | Confident | 92.8 | Very high | 76 Ų | 76 | 75.2 Ų | 75.2 | 78% | 0.784 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | -6.5 | -180 | 0 | 0 | 0 | 0 | 0 | 115.4 | R138 P142 | R138-G140 PolarHBondContact O-N 3.44Å; G140-P142 WeakPolarHBondContact O-CD 3.39Å |
| 141 | V | 90.5 | Very high | 93.1 | Very high | 71 Ų | 71 | 73 Ų | 73 | 43% | 0.43 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 118.6 | 172.3 | 179.7 | 0 | 0 | 0 | 0 | 109.6 | P136 R138 V139 | P136-V141 HydrophobicContact CB-CB 3.98Å; P136-V141 HydrophobicContact CB-CG1 3.59Å; P136-V141 HydrophobicContact CG-CG1 4.38Å; R138-V141 HydrophobicContact CB-CG2 3.81Å; R138-V141 PolarHBondContact O-N 3.32Å; V139-V141 VanDerWaalsContact C-N 3.33Å; V139-V141 PolarHBondContact O-N 3.37Å |
| 142 | P | 93.6 | Very high | 93.4 | Very high | 109 Ų | 109 | 74.1 Ų | 74.1 | 71% | 0.708 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 150.8 | -179.3 | 30.4 | -34.9 | 0 | 0 | 0 | 111.6 | G140 | G140-P142 WeakPolarHBondContact O-CD 3.39Š|
| 143 | F | 96.4 | Very high | 93.6 | Very high | 28 Ų | 28 | 74.5 Ų | 74.5 | 12% | 0.123 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 150.6 | 167.4 | -71.7 | -86.2 | 0 | 0 | 0 | 111.4 | N57 D58 A61 P136 F147 | N57-F143 HydrophobicContact CB-CB 4.46Å; N57-F143 HydrophobicContact CB-CD2 3.41Å; N57-F143 VanDerWaalsContact CB-CD2 3.41Å; N57-F143 HydrophobicContact CB-CE2 3.58Å; N57-F143 HydrophobicContact CB-CG 3.9Å; N57-F143 HydrophobicContact CB-CZ 4.21Å; D58-F143 HydrophobicContact CB-CE2 4.48Å; D58-F143 VanDerWaalsContact OD1-CE2 3.31Å; D58-F143 WeakPolarHBondContact OD1-CE2 3.45Å; A61-F143 HydrophobicContact CB-CE1 3.94Å; A61-F143 HydrophobicContact CB-CZ 3.8Å; P136-F143 HydrophobicContact CG-CD1 4.03Å; P136-F143 HydrophobicContact CG-CE1 4.3Å; P136-F143 HydrophobicContact CG-CG 4.27Å; F143-F147 HydrophobicContact CB-CB 3.93Å; F143-F147 HydrophobicContact CB-CD1 4.33Å; F143-F147 HydrophobicContact CB-CD2 4.49Å; F143-F147 HydrophobicContact CB-CG 3.99Å; F143-F147 HydrophobicContact CD1-CB 4.37Å; F143-F147 AromaticContact CD1-CD1 3.91Å; F143-F147 HydrophobicContact CD1-CD1 3.91Å; F143-F147 AromaticContact CD1-CD2 3.37Å; F143-F147 HydrophobicContact CD1-CD2 3.37Å; F143-F147 HydrophobicContact CD1-CE1 4.01Å; F143-F147 AromaticContact CD1-CE2 3.47Å; F143-F147 HydrophobicContact CD1-CE2 3.47Å; F143-F147 VanDerWaalsContact CD1-CE2 3.47Å; F143-F147 AromaticContact CD1-CG 3.6Å; F143-F147 HydrophobicContact CD1-CG 3.6Å; F143-F147 AromaticContact CD1-CZ 3.8Å; F143-F147 HydrophobicContact CD1-CZ 3.8Å; F143-F147 HydrophobicContact CE1-CD1 4.41Å; F143-F147 AromaticContact CE1-CD2 3.9Å; F143-F147 HydrophobicContact CE1-CD2 3.9Å; F143-F147 HydrophobicContact CE1-CE1 4.03Å; F143-F147 AromaticContact CE1-CE2 3.46Å; F143-F147 HydrophobicContact CE1-CE2 3.46Å; F143-F147 VanDerWaalsContact CE1-CE2 3.46Å; F143-F147 HydrophobicContact CE1-CG 4.35Å; F143-F147 AromaticContact CE1-CZ 3.53Å; F143-F147 HydrophobicContact CE1-CZ 3.53Å; F143-F147 HydrophobicContact CG-CD1 4.16Å; F143-F147 HydrophobicContact CG-CD2 4.26Å; F143-F147 HydrophobicContact CG-CE1 4.48Å; F143-F147 HydrophobicContact CG-CG 4.04Å; F143-F147 HydrophobicContact CZ-CZ 4.24Å |
| 144 | P | 97.3 | Very high | 93.7 | Very high | 36 Ų | 36 | 68.1 Ų | 68.1 | 23% | 0.234 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 155.9 | 174.9 | 31.9 | -38.6 | 0 | 0 | 0 | 111.2 | N133 I134 N146 F147 | N133-P144 WeakPolarHBondContact O-CD 3.44Å; N133-P144 WeakPolarHBondContact O-CG 3.23Å; I134-P144 WeakPolarHBondContact O-CD 3.46Å; P144-N146 WeakPolarHBondContact CB-OD1 3.26Å; P144-N146 PolarHBondContact O-N 3.24Å; P144-N146 VanDerWaalsContact O-N 3.1Å; P144-F147 HydrophobicContact CG-CB 4.06Å; P144-F147 WeakPolarHBondContact O-CB 3.43Å; P144-F147 PolarHBondContact O-N 2.97Å |
| 145 | K | 97.2 | Very high | 93.9 | Very high | 227 Ų | 227 | 67 Ų | 67 | 99% | 0.987 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29.7 | -177.4 | -66.4 | -174.9 | 178.8 | -178.8 | 0 | 113.7 | ||
| 146 | N | 97.1 | Very high | 94 | Very high | 76 Ų | 76 | 67.3 Ų | 67.3 | 41% | 0.406 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 8.2 | 179.5 | 69 | -28.3 | 0 | 0 | 0 | 113.6 | P144 Q148 Q149 V150 | P144-N146 WeakPolarHBondContact CB-OD1 3.26Å; P144-N146 PolarHBondContact O-N 3.24Å; P144-N146 VanDerWaalsContact O-N 3.1Å; N146-Q148 PolarHBondContact O-N 3.28Å; N146-Q149 WeakPolarHBondContact O-CB 3.47Å; N146-Q149 PolarHBondContact O-N 3Å; N146-V150 PolarHBondContact O-N 3.41Å |
| 147 | F | 98 | Very high | 94.3 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.009 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -50.7 | -51.6 | -174.7 | 171.5 | -107.8 | 0 | 0 | 0 | 113.1 | N57 I60 A61 I134 F135 F143 P144 Q149 V150 C151 | N57-F147 HydrophobicContact CB-CD1 3.74Å; N57-F147 HydrophobicContact CB-CE1 3.67Å; N57-F147 WeakPolarHBondContact O-CE1 3.28Å; I60-F147 HydrophobicContact CB-CE1 4.27Å; I60-F147 HydrophobicContact CG2-CE1 4.08Å; I60-F147 HydrophobicContact CG2-CZ 4.31Å; A61-F147 HydrophobicContact CB-CE2 4.48Å; A61-F147 HydrophobicContact CB-CZ 3.81Å; I134-F147 HydrophobicContact CG2-CD2 4.46Å; I134-F147 WeakPolarHBondContact O-CD2 2.97Å; F135-F147 HydrophobicContact CD1-CE2 4.06Å; F135-F147 HydrophobicContact CD2-CE2 4.4Å; F135-F147 AromaticContact CE1-CE2 3.8Å; F135-F147 HydrophobicContact CE1-CE2 3.8Å; F135-F147 HydrophobicContact CE1-CZ 4.2Å; F135-F147 HydrophobicContact CE2-CE2 4.15Å; F135-F147 HydrophobicContact CG-CE2 4.36Å; F135-F147 AromaticContact CZ-CE2 3.83Å; F135-F147 HydrophobicContact CZ-CE2 3.83Å; F135-F147 HydrophobicContact CZ-CZ 4.47Å; F143-F147 HydrophobicContact CB-CB 3.93Å; F143-F147 HydrophobicContact CB-CD1 4.33Å; F143-F147 HydrophobicContact CB-CD2 4.49Å; F143-F147 HydrophobicContact CB-CG 3.99Å; F143-F147 HydrophobicContact CD1-CB 4.37Å; F143-F147 AromaticContact CD1-CD1 3.91Å; F143-F147 HydrophobicContact CD1-CD1 3.91Å; F143-F147 AromaticContact CD1-CD2 3.37Å; F143-F147 HydrophobicContact CD1-CD2 3.37Å; F143-F147 HydrophobicContact CD1-CE1 4.01Å; F143-F147 AromaticContact CD1-CE2 3.47Å; F143-F147 HydrophobicContact CD1-CE2 3.47Å; F143-F147 VanDerWaalsContact CD1-CE2 3.47Å; F143-F147 AromaticContact CD1-CG 3.6Å; F143-F147 HydrophobicContact CD1-CG 3.6Å; F143-F147 AromaticContact CD1-CZ 3.8Å; F143-F147 HydrophobicContact CD1-CZ 3.8Å; F143-F147 HydrophobicContact CE1-CD1 4.41Å; F143-F147 AromaticContact CE1-CD2 3.9Å; F143-F147 HydrophobicContact CE1-CD2 3.9Å; F143-F147 HydrophobicContact CE1-CE1 4.03Å; F143-F147 AromaticContact CE1-CE2 3.46Å; F143-F147 HydrophobicContact CE1-CE2 3.46Å; F143-F147 VanDerWaalsContact CE1-CE2 3.46Å; F143-F147 HydrophobicContact CE1-CG 4.35Å; F143-F147 AromaticContact CE1-CZ 3.53Å; F143-F147 HydrophobicContact CE1-CZ 3.53Å; F143-F147 HydrophobicContact CG-CD1 4.16Å; F143-F147 HydrophobicContact CG-CD2 4.26Å; F143-F147 HydrophobicContact CG-CE1 4.48Å; F143-F147 HydrophobicContact CG-CG 4.04Å; F143-F147 HydrophobicContact CZ-CZ 4.24Å; P144-F147 HydrophobicContact CG-CB 4.06Å; P144-F147 WeakPolarHBondContact O-CB 3.43Å; P144-F147 PolarHBondContact O-N 2.97Å; F147-Q149 VanDerWaalsContact C-N 3.28Å; F147-Q149 PolarHBondContact O-N 3.05Å; F147-V150 WeakPolarHBondContact O-CB 3.43Å; F147-V150 PolarHBondContact O-N 3.32Å; F147-V150 VanDerWaalsContact O-N 3.11Å; F147-C151 WeakPolarHBondContact CE2-SG 3.44Å; F147-C151 WeakPolarHBondContact CZ-SG 3.36Å; F147-C151 PolarHBondContact O-N 3.34Å; F147-C151 PolarHBondContact O-SG 3.24Å |
| 148 | Q | 97.6 | Very high | 95 | Very high | 72 Ų | 72 | 65.9 Ų | 65.9 | 34% | 0.336 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.7 | -36.5 | -179.6 | -67.3 | -171.1 | 10 | 0 | 0 | 112 | N57 I60 N146 V150 C151 K152 | N57-Q148 WeakPolarHBondContact OD1-CG 3.47Å; N57-Q148 PolarHBondContact OD1-NE2 3.39Å; I60-Q148 HydrophobicContact CD1-CG 4.35Å; N146-Q148 PolarHBondContact O-N 3.28Å; Q148-V150 VanDerWaalsContact C-N 3.31Å; Q148-V150 PolarHBondContact O-N 3.35Å; Q148-C151 PolarHBondContact O-N 3.28Å; Q148-K152 VanDerWaalsContact O-CG 3.29Å; Q148-K152 WeakPolarHBondContact O-CG 3.19Å; Q148-K152 PolarHBondContact O-N 3.37Å |
| 149 | Q | 97.8 | Very high | 95.7 | Very high | 143 Ų | 143 | 57.8 Ų | 57.8 | 67% | 0.668 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.7 | -40.4 | 176 | -62.1 | 175.8 | -4.6 | 0 | 0 | 111.5 | N146 F147 K152 K153 | N146-Q149 WeakPolarHBondContact O-CB 3.47Å; N146-Q149 PolarHBondContact O-N 3Å; F147-Q149 VanDerWaalsContact C-N 3.28Å; F147-Q149 PolarHBondContact O-N 3.05Å; Q149-K152 PolarHBondContact O-N 2.73Å; Q149-K153 PolarHBondContact O-N 3.16Å; Q149-K153 VanDerWaalsContact O-N 3.1Å |
| 150 | V | 97.9 | Very high | 96.6 | Very high | 21 Ų | 21 | 53.7 Ų | 53.7 | 13% | 0.127 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 173.8 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | I134 N146 F147 Q148 K152 K153 I154 | I134-V150 HydrophobicContact CG2-CB 4.36Å; I134-V150 HydrophobicContact CG2-CG1 3.93Å; N146-V150 PolarHBondContact O-N 3.41Å; F147-V150 WeakPolarHBondContact O-CB 3.43Å; F147-V150 PolarHBondContact O-N 3.32Å; F147-V150 VanDerWaalsContact O-N 3.11Å; Q148-V150 VanDerWaalsContact C-N 3.31Å; Q148-V150 PolarHBondContact O-N 3.35Å; V150-K152 PolarHBondContact O-N 3.35Å; V150-K153 PolarHBondContact O-N 3.5Å; V150-I154 HydrophobicContact CG1-CD1 3.95Å; V150-I154 HydrophobicContact CG1-CG1 4.48Å; V150-I154 WeakPolarHBondContact O-CG1 3.47Å; V150-I154 PolarHBondContact O-N 3.08Å |
| 151 | C | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 177.2 | -69.7 | 0 | 0 | 0 | 0 | 112.8 | I60 V64 F147 Q148 K153 I154 L155 | I60-C151 HydrophobicContact CG2-CB 3.79Å; V64-C151 HydrophobicContact CG2-CB 4.05Å; F147-C151 WeakPolarHBondContact CE2-SG 3.44Å; F147-C151 WeakPolarHBondContact CZ-SG 3.36Å; F147-C151 PolarHBondContact O-N 3.34Å; F147-C151 PolarHBondContact O-SG 3.24Å; Q148-C151 PolarHBondContact O-N 3.28Å; C151-K153 VanDerWaalsContact C-N 3.33Å; C151-K153 PolarHBondContact O-N 3.12Å; C151-I154 PolarHBondContact O-N 3.17Å; C151-L155 WeakPolarHBondContact O-CB 3.43Å; C151-L155 VanDerWaalsContact O-CG 3.28Å; C151-L155 WeakPolarHBondContact O-CG 3.45Å; C151-L155 PolarHBondContact O-N 3.02Å |
| 152 | K | 98.4 | Very high | 97.5 | Very high | 84 Ų | 84 | 46.8 Ų | 46.8 | 37% | 0.365 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.2 | -44.8 | 174.2 | -68.6 | -166.1 | -173.3 | -154.6 | 0 | 111.3 | Q148 Q149 V150 L155 S156 S197 L198 | Q148-K152 VanDerWaalsContact O-CG 3.29Å; Q148-K152 WeakPolarHBondContact O-CG 3.19Å; Q148-K152 PolarHBondContact O-N 3.37Å; Q149-K152 PolarHBondContact O-N 2.73Å; V150-K152 PolarHBondContact O-N 3.35Å; K152-L155 PolarHBondContact O-N 3.19Å; K152-S156 WeakPolarHBondContact O-CB 3.32Å; K152-S156 PolarHBondContact O-N 3.28Å; K152-S156 PolarHBondContact O-OG 2.96Å; K152-S197 PolarHBondContact NZ-O 3.05Å; K152-L198 WeakPolarHBondContact CB-O 3.38Å; K152-L198 HydrophobicContact CG-CB 4.33Å; K152-L198 HydrophobicContact CG-CD2 4.12Å; K152-L198 WeakPolarHBondContact CG-O 3.45Å |
| 153 | K | 97.4 | Very high | 97.7 | Very high | 100 Ų | 100 | 41.6 Ų | 41.6 | 44% | 0.435 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.2 | -38.2 | 177 | -172.4 | 177 | 179.1 | 178.7 | 0 | 112.9 | W124 Q149 V150 C151 S156 R157 | W124-K153 HydrophobicContact CH2-CB 4.38Å; W124-K153 HydrophobicContact CH2-CD 3.87Å; W124-K153 HydrophobicContact CH2-CG 3.82Å; W124-K153 HydrophobicContact CZ2-CD 4.03Å; W124-K153 HydrophobicContact CZ2-CG 4.47Å; Q149-K153 PolarHBondContact O-N 3.16Å; Q149-K153 VanDerWaalsContact O-N 3.1Å; V150-K153 PolarHBondContact O-N 3.5Å; C151-K153 VanDerWaalsContact C-N 3.33Å; C151-K153 PolarHBondContact O-N 3.12Å; K153-S156 PolarHBondContact O-OG 2.93Å; K153-R157 WeakPolarHBondContact O-CB 3.48Å; K153-R157 WeakPolarHBondContact O-CG 3.36Å; K153-R157 PolarHBondContact O-N 3.26Å |
| 154 | I | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -51.1 | 174.3 | -71.2 | 168 | 0 | 0 | 0 | 109.8 | V64 W124 I125 N128 I129 F135 V150 C151 R157 L158 | V64-I154 HydrophobicContact CG1-CB 4.43Å; V64-I154 HydrophobicContact CG1-CD1 4.26Å; V64-I154 HydrophobicContact CG1-CG2 3.75Å; W124-I154 HydrophobicContact CH2-CG1 3.95Å; W124-I154 HydrophobicContact CZ3-CG1 3.74Å; I125-I154 HydrophobicContact CD1-CG2 4.12Å; I125-I154 HydrophobicContact CG1-CG1 4.48Å; I125-I154 HydrophobicContact CG1-CG2 4.09Å; I125-I154 HydrophobicContact CG2-CG2 3.7Å; N128-I154 HydrophobicContact CB-CD1 4.1Å; I129-I154 HydrophobicContact CG2-CD1 4.42Å; F135-I154 HydrophobicContact CE2-CD1 4.22Å; F135-I154 HydrophobicContact CZ-CD1 4.24Å; V150-I154 HydrophobicContact CG1-CD1 3.95Å; V150-I154 HydrophobicContact CG1-CG1 4.48Å; V150-I154 WeakPolarHBondContact O-CG1 3.47Å; V150-I154 PolarHBondContact O-N 3.08Å; C151-I154 PolarHBondContact O-N 3.17Å; I154-R157 PolarHBondContact O-N 3.45Å; I154-L158 HydrophobicContact CG2-CD1 3.89Å; I154-L158 HydrophobicContact CG2-CG 4.4Å; I154-L158 WeakPolarHBondContact O-CG 3.23Å; I154-L158 PolarHBondContact O-N 2.81Å |
| 155 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63 | -46.3 | -177.7 | -68.4 | 164.3 | 0 | 0 | 0 | 110.8 | V64 F67 C151 K152 R157 L158 F159 Y189 I193 L198 I199 | V64-L155 HydrophobicContact CG2-CD1 4.05Å; V64-L155 HydrophobicContact CG2-CD2 4.17Å; V64-L155 HydrophobicContact CG2-CG 4.09Å; F67-L155 HydrophobicContact CD2-CD2 4.11Å; C151-L155 WeakPolarHBondContact O-CB 3.43Å; C151-L155 VanDerWaalsContact O-CG 3.28Å; C151-L155 WeakPolarHBondContact O-CG 3.45Å; C151-L155 PolarHBondContact O-N 3.02Å; K152-L155 PolarHBondContact O-N 3.19Å; L155-R157 VanDerWaalsContact C-N 3.26Å; L155-R157 PolarHBondContact O-N 3.22Å; L155-L158 WeakPolarHBondContact O-CB 3.28Å; L155-L158 PolarHBondContact O-N 3.39Å; L155-L158 VanDerWaalsContact O-N 3.09Å; L155-F159 PolarHBondContact O-N 3.15Å; L155-Y189 VanDerWaalsContact C-OH 3.3Å; L155-Y189 HydrophobicContact CB-CE2 4.45Å; L155-Y189 HydrophobicContact CD2-CD2 4.32Å; L155-Y189 HydrophobicContact CD2-CE2 3.66Å; L155-Y189 PolarHBondContact O-OH 2.88Å; L155-I193 HydrophobicContact CB-CG2 4.4Å; L155-I193 HydrophobicContact CD1-CG2 4.31Å; L155-I193 HydrophobicContact CD2-CG2 4.39Å; L155-L198 HydrophobicContact CD1-CB 3.89Å; L155-L198 HydrophobicContact CD1-CD1 3.45Å; L155-L198 VanDerWaalsContact CD1-CD1 3.45Å; L155-L198 HydrophobicContact CD1-CG 4.22Å; L155-I199 HydrophobicContact CB-CD1 4.06Å; L155-I199 HydrophobicContact CB-CG1 4.35Å |
| 156 | S | 97.9 | Very high | 97.5 | Very high | 12 Ų | 12 | 28.4 Ų | 28.4 | 8% | 0.084 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.3 | -32.7 | 178.1 | 71.2 | 0 | 0 | 0 | 0 | 113.3 | K152 K153 E203 | K152-S156 WeakPolarHBondContact O-CB 3.32Å; K152-S156 PolarHBondContact O-N 3.28Å; K152-S156 PolarHBondContact O-OG 2.96Å; K153-S156 PolarHBondContact O-OG 2.93Å; S156-E203 WeakPolarHBondContact CB-OE2 3.5Å |
| 157 | R | 97.7 | Very high | 97.4 | Very high | 19 Ų | 19 | 28.1 Ų | 28.1 | 7% | 0.072 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.2 | -44.2 | 171.4 | -76.8 | -179 | 173.1 | -158.2 | -7 | 111.6 | Q101 L121 W124 K153 I154 L155 F159 R160 | Q101-R157 PolarHBondContact O-NH2 3.48Å; L121-R157 HydrophobicContact CD1-CB 3.75Å; L121-R157 HydrophobicContact CD1-CG 4.44Å; L121-R157 WeakPolarHBondContact CD1-O 3.23Å; L121-R157 HydrophobicContact CG-CB 4.24Å; W124-R157 VanDerWaalsContact CD2-NH1 3.35Å; K153-R157 WeakPolarHBondContact O-CB 3.48Å; K153-R157 WeakPolarHBondContact O-CG 3.36Å; K153-R157 PolarHBondContact O-N 3.26Å; I154-R157 PolarHBondContact O-N 3.45Å; L155-R157 VanDerWaalsContact C-N 3.26Å; L155-R157 PolarHBondContact O-N 3.22Å; R157-F159 VanDerWaalsContact C-N 3.26Å; R157-F159 PolarHBondContact O-N 3.49Å; R157-R160 VanDerWaalsContact O-CB 3.31Å; R157-R160 WeakPolarHBondContact O-CB 3.3Å; R157-R160 PolarHBondContact O-N 3.36Å; R157-R160 VanDerWaalsContact O-N 3.08Å |
| 158 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59 | -35.4 | 175 | -75.7 | 171.9 | 0 | 0 | 0 | 112.8 | F67 I71 L121 I125 I154 L155 R160 V161 Y189 | F67-L158 HydrophobicContact CB-CD1 4.42Å; I71-L158 HydrophobicContact CB-CD2 4.15Å; I71-L158 HydrophobicContact CD1-CB 3.83Å; I71-L158 HydrophobicContact CD1-CD1 4.18Å; I71-L158 HydrophobicContact CD1-CD2 4.05Å; I71-L158 HydrophobicContact CD1-CG 4.23Å; I71-L158 HydrophobicContact CG2-CD2 3.96Å; L121-L158 HydrophobicContact CD2-CD2 4.48Å; I125-L158 HydrophobicContact CD1-CD1 4.34Å; I125-L158 HydrophobicContact CD1-CD2 3.51Å; I125-L158 HydrophobicContact CD1-CG 3.6Å; I154-L158 HydrophobicContact CG2-CD1 3.89Å; I154-L158 HydrophobicContact CG2-CG 4.4Å; I154-L158 WeakPolarHBondContact O-CG 3.23Å; I154-L158 PolarHBondContact O-N 2.81Å; L155-L158 WeakPolarHBondContact O-CB 3.28Å; L155-L158 PolarHBondContact O-N 3.39Å; L155-L158 VanDerWaalsContact O-N 3.09Å; L158-R160 PolarHBondContact O-N 3.25Å; L158-V161 WeakPolarHBondContact O-CB 3.46Å; L158-V161 PolarHBondContact O-N 2.97Å; L158-Y189 HydrophobicContact CB-CE2 4.39Å |
| 159 | F | 98.3 | Very high | 97 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.4 | -38.6 | 174.8 | -179.1 | -109.6 | 0 | 0 | 0 | 112.2 | L155 R157 V161 F162 V163 Y186 Y189 I199 E203 L204 P206 L207 | L155-F159 PolarHBondContact O-N 3.15Å; R157-F159 VanDerWaalsContact C-N 3.26Å; R157-F159 PolarHBondContact O-N 3.49Å; F159-V161 PolarHBondContact O-N 3.12Å; F159-F162 WeakPolarHBondContact O-CA 3.33Å; F159-F162 WeakPolarHBondContact O-CB 3.16Å; F159-F162 PolarHBondContact O-N 2.91Å; F159-V163 HydrophobicContact CD1-CG2 3.61Å; F159-V163 HydrophobicContact CE1-CG2 3.26Å; F159-V163 HydrophobicContact CE2-CG2 4.37Å; F159-V163 HydrophobicContact CG-CG2 4.29Å; F159-V163 HydrophobicContact CZ-CG2 3.71Å; F159-V163 WeakPolarHBondContact O-CG2 3.29Å; F159-V163 PolarHBondContact O-N 2.96Å; F159-Y186 HydrophobicContact CD2-CE2 4.29Å; F159-Y186 AromaticContact CE2-CE2 3.92Å; F159-Y186 HydrophobicContact CE2-CE2 3.92Å; F159-Y189 HydrophobicContact CB-CE1 4.36Å; F159-Y189 WeakPolarHBondContact CB-OH 3.09Å; F159-Y189 HydrophobicContact CD2-CE1 4.05Å; F159-I199 HydrophobicContact CB-CD1 4.39Å; F159-E203 WeakPolarHBondContact CE1-O 3.37Å; F159-L204 HydrophobicContact CD1-CD2 4.29Å; F159-L204 HydrophobicContact CD2-CD2 3.82Å; F159-L204 HydrophobicContact CE1-CD2 4.16Å; F159-L204 HydrophobicContact CE2-CD2 3.64Å; F159-L204 HydrophobicContact CG-CD2 4.13Å; F159-L204 HydrophobicContact CZ-CB 4.37Å; F159-L204 HydrophobicContact CZ-CD2 3.83Å; F159-P206 HydrophobicContact CE1-CG 4.44Å; F159-L207 HydrophobicContact CE2-CB 4.26Å; F159-L207 HydrophobicContact CE2-CD1 3.79Å; F159-L207 HydrophobicContact CE2-CG 4.32Å; F159-L207 HydrophobicContact CZ-CB 3.91Å; F159-L207 HydrophobicContact CZ-CD1 3.94Å; F159-L207 HydrophobicContact CZ-CG 3.99Å |
| 160 | R | 97.8 | Very high | 96.7 | Very high | 47 Ų | 47 | 24.1 Ų | 24.1 | 18% | 0.177 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.6 | -27.6 | 179.8 | -56.1 | 171.1 | -171.2 | -171.2 | -6.2 | 112.4 | M90 Y98 Y117 R157 L158 H164 | M90-R160 HydrophobicContact CE-CB 4.11Å; M90-R160 WeakPolarHBondContact CE-O 3.38Å; Y98-R160 HydrophobicContact CD1-CG 3.91Å; Y98-R160 HydrophobicContact CD2-CB 4.38Å; Y98-R160 HydrophobicContact CD2-CG 4.49Å; Y98-R160 HydrophobicContact CE1-CG 3.75Å; Y98-R160 HydrophobicContact CE2-CB 4.27Å; Y98-R160 HydrophobicContact CE2-CG 4.34Å; Y98-R160 HydrophobicContact CG-CG 4.28Å; Y117-R160 PolarHBondContact OH-NH1 3.15Å; R157-R160 VanDerWaalsContact O-CB 3.31Å; R157-R160 WeakPolarHBondContact O-CB 3.3Å; R157-R160 PolarHBondContact O-N 3.36Å; R157-R160 VanDerWaalsContact O-N 3.08Å; L158-R160 PolarHBondContact O-N 3.25Å; R160-H164 WeakPolarHBondContact O-CB 3.36Å; R160-H164 PolarHBondContact O-N 2.93Å |
| 161 | V | 97.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.1 | -46 | 173.9 | -174 | 0 | 0 | 0 | 0 | 110 | I71 M118 L121 M122 L158 F159 V163 H164 V165 | I71-V161 HydrophobicContact CG2-CB 3.77Å; I71-V161 HydrophobicContact CG2-CG1 3.67Å; I71-V161 HydrophobicContact CG2-CG2 4.21Å; M118-V161 HydrophobicContact SD-CG1 4.4Å; L121-V161 HydrophobicContact CD2-CG2 4Å; M122-V161 HydrophobicContact CE-CG1 4.27Å; M122-V161 HydrophobicContact CE-CG2 3.92Å; L158-V161 WeakPolarHBondContact O-CB 3.46Å; L158-V161 PolarHBondContact O-N 2.97Å; F159-V161 PolarHBondContact O-N 3.12Å; V161-V163 PolarHBondContact O-N 3.01Å; V161-H164 PolarHBondContact O-N 3.29Å; V161-V165 HydrophobicContact CG1-CG2 4.28Å; V161-V165 WeakPolarHBondContact O-CB 3.48Å; V161-V165 WeakPolarHBondContact O-CG2 3.2Å; V161-V165 PolarHBondContact O-N 2.71Å |
| 162 | F | 97.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59 | -47.1 | 173.1 | -74.4 | -64.9 | 0 | 0 | 0 | 111.7 | I71 I74 F159 H164 V165 Y166 I182 C185 Y186 Y189 L207 | I71-F162 HydrophobicContact CD1-CD2 4.19Å; I71-F162 HydrophobicContact CD1-CE2 3.37Å; I71-F162 HydrophobicContact CD1-CZ 3.8Å; I71-F162 HydrophobicContact CG1-CE1 4.45Å; I71-F162 HydrophobicContact CG1-CE2 3.77Å; I71-F162 HydrophobicContact CG1-CZ 3.64Å; I74-F162 HydrophobicContact CD1-CE1 3.94Å; F159-F162 WeakPolarHBondContact O-CA 3.33Å; F159-F162 WeakPolarHBondContact O-CB 3.16Å; F159-F162 PolarHBondContact O-N 2.91Å; F162-H164 VanDerWaalsContact C-N 3.3Å; F162-H164 PolarHBondContact O-N 3.32Å; F162-V165 PolarHBondContact O-N 3.07Å; F162-Y166 HydrophobicContact CB-CD2 4.25Å; F162-Y166 HydrophobicContact CB-CE2 4.42Å; F162-Y166 HydrophobicContact CD1-CE2 4.1Å; F162-Y166 WeakPolarHBondContact O-CB 3.35Å; F162-Y166 VanDerWaalsContact O-CD2 3.26Å; F162-Y166 WeakPolarHBondContact O-CD2 3.33Å; F162-Y166 PolarHBondContact O-N 3.47Å; F162-I182 HydrophobicContact CD1-CG2 4.49Å; F162-I182 HydrophobicContact CE1-CG2 4.45Å; F162-C185 HydrophobicContact CE1-CB 4.48Å; F162-C185 HydrophobicContact CZ-CB 4.42Å; F162-Y186 HydrophobicContact CB-CD2 3.97Å; F162-Y186 HydrophobicContact CB-CE2 4.21Å; F162-Y186 AromaticContact CD1-CD2 3.8Å; F162-Y186 HydrophobicContact CD1-CD2 3.8Å; F162-Y186 HydrophobicContact CD1-CG 4.36Å; F162-Y186 AromaticContact CD2-CD2 3.79Å; F162-Y186 HydrophobicContact CD2-CD2 3.79Å; F162-Y186 HydrophobicContact CD2-CE2 4.35Å; F162-Y186 HydrophobicContact CE1-CD2 4.16Å; F162-Y186 HydrophobicContact CE2-CD2 4.13Å; F162-Y186 AromaticContact CG-CD2 3.6Å; F162-Y186 HydrophobicContact CG-CD2 3.6Å; F162-Y186 HydrophobicContact CG-CE2 4.25Å; F162-Y186 HydrophobicContact CZ-CD2 4.31Å; F162-Y189 HydrophobicContact CD2-CD1 4.22Å; F162-Y189 HydrophobicContact CD2-CE1 4.41Å; F162-Y189 AromaticContact CE2-CD1 3.86Å; F162-Y189 HydrophobicContact CE2-CD1 3.86Å; F162-Y189 HydrophobicContact CE2-CD2 4.13Å; F162-Y189 HydrophobicContact CE2-CE1 4.37Å; F162-Y189 AromaticContact CE2-CG 3.73Å; F162-Y189 HydrophobicContact CE2-CG 3.73Å; F162-L207 HydrophobicContact CB-CD1 3.92Å |
| 163 | V | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -54.1 | -50.7 | 178.3 | 178 | 0 | 0 | 0 | 0 | 110.3 | Y98 F159 V161 I167 P206 L207 | Y98-V163 HydrophobicContact CE2-CG1 4.19Å; F159-V163 HydrophobicContact CD1-CG2 3.61Å; F159-V163 HydrophobicContact CE1-CG2 3.26Å; F159-V163 HydrophobicContact CE2-CG2 4.37Å; F159-V163 HydrophobicContact CG-CG2 4.29Å; F159-V163 HydrophobicContact CZ-CG2 3.71Å; F159-V163 WeakPolarHBondContact O-CG2 3.29Å; F159-V163 PolarHBondContact O-N 2.96Å; V161-V163 PolarHBondContact O-N 3.01Å; V163-I167 HydrophobicContact CG1-CD1 3.69Å; V163-I167 WeakPolarHBondContact O-CB 3.42Å; V163-I167 VanDerWaalsContact O-CG1 3.29Å; V163-I167 WeakPolarHBondContact O-CG1 3.22Å; V163-I167 PolarHBondContact O-N 3.4Å; V163-P206 HydrophobicContact CG1-CB 3.76Å; V163-P206 HydrophobicContact CG2-CB 3.98Å; V163-L207 HydrophobicContact CB-CG 4.46Å; V163-L207 HydrophobicContact CG2-CD1 3.96Å; V163-L207 HydrophobicContact CG2-CG 3.92Å |
| 164 | H | 96.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.6 | -46.6 | -178.4 | -174.8 | 67.3 | 0 | 0 | 0 | 112.1 | C82 M90 S91 A114 R160 V161 F162 I167 H168 H169 | C82-H164 PolarHBondContact SG-NE2 3.21Å; M90-H164 HydrophobicContact CE-CB 3.61Å; M90-H164 HydrophobicContact SD-CB 4.21Å; S91-H164 PolarHBondContact O-ND1 3.18Å; A114-H164 WeakPolarHBondContact CB-CE1 3.34Å; A114-H164 WeakPolarHBondContact CB-NE2 3.43Å; R160-H164 WeakPolarHBondContact O-CB 3.36Å; R160-H164 PolarHBondContact O-N 2.93Å; V161-H164 PolarHBondContact O-N 3.29Å; F162-H164 VanDerWaalsContact C-N 3.3Å; F162-H164 PolarHBondContact O-N 3.32Å; H164-I167 PolarHBondContact O-N 3.49Å; H164-H168 AromaticContact CE1-CD2 3.76Å; H164-H168 AromaticContact CE1-CG 3.99Å; H164-H168 AromaticContact ND1-CD2 3.36Å; H164-H168 PolarHBondContact ND1-CD2 3.1Å; H164-H168 WeakPolarHBondContact O-CB 3.41Å; H164-H168 PolarHBondContact O-N 3.2Å; H164-H169 AromaticContact CD2-CD2 3.75Å; H164-H169 AromaticContact CD2-NE2 3.94Å; H164-H169 AromaticContact CE1-NE2 3.99Å; H164-H169 AromaticContact NE2-CD2 3.52Å; H164-H169 AromaticContact NE2-NE2 3.22Å; H164-H169 PolarHBondContact NE2-NE2 3.5Å |
| 165 | V | 95.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.6 | -48.2 | -179.7 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | I74 V78 V161 F162 I167 H169 F170 I173 I182 | I74-V165 HydrophobicContact CG2-CG1 4.14Å; I74-V165 HydrophobicContact CG2-CG2 4.09Å; V78-V165 HydrophobicContact CG1-CG1 4.25Å; V78-V165 HydrophobicContact CG1-CG2 4.15Å; V78-V165 HydrophobicContact CG2-CG2 4.07Å; V161-V165 HydrophobicContact CG1-CG2 4.28Å; V161-V165 WeakPolarHBondContact O-CB 3.48Å; V161-V165 WeakPolarHBondContact O-CG2 3.2Å; V161-V165 PolarHBondContact O-N 2.71Å; F162-V165 PolarHBondContact O-N 3.07Å; V165-I167 VanDerWaalsContact C-N 3.34Å; V165-I167 PolarHBondContact O-N 2.76Å; V165-H169 CarbonylContact O-C 3.3Å; V165-H169 VanDerWaalsContact O-C 3.3Å; V165-H169 WeakPolarHBondContact O-CA 3.37Å; V165-H169 WeakPolarHBondContact O-CB 3.39Å; V165-H169 PolarHBondContact O-N 3.19Å; V165-F170 PolarHBondContact O-N 3Å; V165-F170 VanDerWaalsContact O-N 3.1Å; V165-I173 HydrophobicContact CG1-CD1 4.42Å; V165-I173 HydrophobicContact CG1-CG1 3.93Å; V165-I182 HydrophobicContact CG1-CD1 4.19Å |
| 166 | Y | 94.9 | Very high | 93.9 | Very high | 13 Ų | 13 | 33 Ų | 33 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67 | -32.1 | -180 | -83.4 | -63.3 | 0 | 0 | 0 | 113.5 | F162 F170 I182 N183 Y186 L207 M210 I214 | F162-Y166 HydrophobicContact CB-CD2 4.25Å; F162-Y166 HydrophobicContact CB-CE2 4.42Å; F162-Y166 HydrophobicContact CD1-CE2 4.1Å; F162-Y166 WeakPolarHBondContact O-CB 3.35Å; F162-Y166 VanDerWaalsContact O-CD2 3.26Å; F162-Y166 WeakPolarHBondContact O-CD2 3.33Å; F162-Y166 PolarHBondContact O-N 3.47Å; Y166-F170 AromaticContact CD1-CD2 3.65Å; Y166-F170 HydrophobicContact CD1-CD2 3.65Å; Y166-F170 AromaticContact CD1-CE2 3.86Å; Y166-F170 HydrophobicContact CD1-CE2 3.86Å; Y166-F170 HydrophobicContact CE1-CD2 4.06Å; Y166-F170 AromaticContact CE1-CE2 3.84Å; Y166-F170 HydrophobicContact CE1-CE2 3.84Å; Y166-F170 WeakPolarHBondContact O-CB 3.43Å; Y166-I182 HydrophobicContact CE1-CG2 4.38Å; Y166-I182 HydrophobicContact CE2-CG2 4.25Å; Y166-N183 WeakPolarHBondContact CE1-OD1 3.5Å; Y166-N183 WeakPolarHBondContact OH-CA 3.24Å; Y166-N183 PolarHBondContact OH-OD1 3.02Å; Y166-Y186 HydrophobicContact CE2-CD1 4.29Å; Y166-Y186 HydrophobicContact CE2-CD2 4.1Å; Y166-Y186 AromaticContact CE2-CG 3.86Å; Y166-Y186 HydrophobicContact CE2-CG 3.86Å; Y166-L207 HydrophobicContact CD2-CD1 3.9Å; Y166-L207 HydrophobicContact CD2-CD2 4.26Å; Y166-L207 HydrophobicContact CG-CD2 4.39Å; Y166-M210 HydrophobicContact CD1-CE 3.87Å; Y166-M210 HydrophobicContact CD1-CG 4.29Å; Y166-M210 HydrophobicContact CD1-SD 4.41Å; Y166-M210 HydrophobicContact CE1-CE 4.31Å; Y166-M210 HydrophobicContact CE1-CG 4.29Å; Y166-M210 HydrophobicContact CE1-SD 4.32Å; Y166-M210 HydrophobicContact CG-CG 4.47Å; Y166-I214 HydrophobicContact CE1-CD1 4.33Å |
| 167 | I | 93.9 | Very high | 93.4 | Very high | 70 Ų | 70 | 34.9 Ų | 34.9 | 36% | 0.359 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -88.7 | -40.4 | -175.7 | -66.5 | 174.9 | 0 | 0 | 0 | 112 | G92 V163 H164 V165 | G92-I167 VanDerWaalsContact C-CD1 3.42Å; V163-I167 HydrophobicContact CG1-CD1 3.69Å; V163-I167 WeakPolarHBondContact O-CB 3.42Å; V163-I167 VanDerWaalsContact O-CG1 3.29Å; V163-I167 WeakPolarHBondContact O-CG1 3.22Å; V163-I167 PolarHBondContact O-N 3.4Å; H164-I167 PolarHBondContact O-N 3.49Å; V165-I167 VanDerWaalsContact C-N 3.34Å; V165-I167 PolarHBondContact O-N 2.76Å |
| 168 | H | 93.9 | Very high | 92.9 | Very high | 69 Ų | 69 | 34.1 Ų | 34.1 | 32% | 0.319 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -105 | -19.7 | -170.9 | -64.7 | -78.2 | 0 | 0 | 0 | 113.9 | S91 G93 H164 | S91-H168 PolarHBondContact O-CD2 3.48Å; S91-H168 PolarHBondContact O-NE2 3.32Å; S91-H168 PolarHBondContact OG-CE1 2.89Å; S91-H168 PolarHBondContact OG-NE2 3.31Å; G93-H168 PolarHBondContact N-NE2 3.11Å; H164-H168 AromaticContact CE1-CD2 3.76Å; H164-H168 AromaticContact CE1-CG 3.99Å; H164-H168 AromaticContact ND1-CD2 3.36Å; H164-H168 PolarHBondContact ND1-CD2 3.1Å; H164-H168 WeakPolarHBondContact O-CB 3.41Å; H164-H168 PolarHBondContact O-N 3.2Å |
| 169 | H | 94.2 | Very high | 92.5 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -130.9 | 8.9 | -167.6 | -65.8 | -55.4 | 0 | 0 | 0 | 114.2 | V78 F81 C82 H164 V165 D171 S172 I173 | V78-H169 HydrophobicContact CB-CB 4.46Å; V78-H169 HydrophobicContact CG1-CB 3.96Å; F81-H169 AromaticContact CD2-ND1 3.56Å; F81-H169 HydrophobicContact CE2-CB 4.01Å; F81-H169 AromaticContact CE2-CG 3.93Å; F81-H169 AromaticContact CE2-ND1 3.63Å; C82-H169 PolarHBondContact SG-NE2 3.44Å; H164-H169 AromaticContact CD2-CD2 3.75Å; H164-H169 AromaticContact CD2-NE2 3.94Å; H164-H169 AromaticContact CE1-NE2 3.99Å; H164-H169 AromaticContact NE2-CD2 3.52Å; H164-H169 AromaticContact NE2-NE2 3.22Å; H164-H169 PolarHBondContact NE2-NE2 3.5Å; V165-H169 CarbonylContact O-C 3.3Å; V165-H169 VanDerWaalsContact O-C 3.3Å; V165-H169 WeakPolarHBondContact O-CA 3.37Å; V165-H169 WeakPolarHBondContact O-CB 3.39Å; V165-H169 PolarHBondContact O-N 3.19Å; H169-D171 VanDerWaalsContact C-N 3.35Å; H169-D171 PolarHBondContact O-N 3.44Å; H169-S172 WeakPolarHBondContact O-CB 3.42Å; H169-S172 PolarHBondContact O-N 2.85Å; H169-I173 WeakPolarHBondContact O-CG1 3.46Å; H169-I173 PolarHBondContact O-N 3.12Å |
| 170 | F | 90.5 | Very high | 92 | Very high | 54 Ų | 54 | 40.6 Ų | 40.6 | 24% | 0.237 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.4 | -39 | -175.7 | -169 | -111.3 | 0 | 0 | 0 | 113.2 | V165 Y166 S172 I173 C174 E179 | V165-F170 PolarHBondContact O-N 3Å; V165-F170 VanDerWaalsContact O-N 3.1Å; Y166-F170 AromaticContact CD1-CD2 3.65Å; Y166-F170 HydrophobicContact CD1-CD2 3.65Å; Y166-F170 AromaticContact CD1-CE2 3.86Å; Y166-F170 HydrophobicContact CD1-CE2 3.86Å; Y166-F170 HydrophobicContact CE1-CD2 4.06Å; Y166-F170 AromaticContact CE1-CE2 3.84Å; Y166-F170 HydrophobicContact CE1-CE2 3.84Å; Y166-F170 WeakPolarHBondContact O-CB 3.43Å; F170-S172 VanDerWaalsContact C-N 3.31Å; F170-S172 PolarHBondContact O-N 3.44Å; F170-I173 WeakPolarHBondContact O-CB 3.16Å; F170-I173 PolarHBondContact O-N 2.79Å; F170-I173 VanDerWaalsContact O-N 3.14Å; F170-C174 VanDerWaalsContact CE1-SG 3.5Å; F170-C174 PolarHBondContact O-N 2.96Å; F170-C174 PolarHBondContact O-SG 3.49Å; F170-E179 HydrophobicContact CE2-CG 3.69Å; F170-E179 HydrophobicContact CZ-CG 3.69Å |
| 171 | D | 90 | Very high | 91.6 | Very high | 132 Ų | 132 | 43.4 Ų | 43.4 | 71% | 0.706 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.1 | -39.4 | 177.3 | -66.2 | -22.3 | 0 | 0 | 0 | 112.2 | H169 C174 S175 | H169-D171 VanDerWaalsContact C-N 3.35Å; H169-D171 PolarHBondContact O-N 3.44Å; D171-C174 PolarHBondContact O-N 3.49Å; D171-S175 WeakPolarHBondContact O-CB 3.29Å; D171-S175 PolarHBondContact O-N 2.85Å; D171-S175 PolarHBondContact O-OG 3.04Å |
| 172 | S | 89.2 | Confident | 91.3 | Very high | 40 Ų | 40 | 43.6 Ų | 43.6 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 174.4 | -52.4 | 0 | 0 | 0 | 0 | 110.9 | F81 H169 F170 C174 S175 M176 | F81-S172 VanDerWaalsContact CE2-CB 3.41Å; H169-S172 WeakPolarHBondContact O-CB 3.42Å; H169-S172 PolarHBondContact O-N 2.85Å; F170-S172 VanDerWaalsContact C-N 3.31Å; F170-S172 PolarHBondContact O-N 3.44Å; S172-C174 PolarHBondContact O-N 3.06Å; S172-S175 PolarHBondContact O-N 3.42Å; S172-M176 WeakPolarHBondContact O-CG 3.31Å; S172-M176 PolarHBondContact O-N 3.39Å |
| 173 | I | 88.1 | Confident | 91.1 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 174.8 | -70 | -49.1 | 0 | 0 | 0 | 112 | T77 V78 V165 H169 F170 M176 G177 A178 E179 I182 | T77-I173 WeakPolarHBondContact OG1-CD1 3.14Å; V78-I173 HydrophobicContact CG1-CD1 3.8Å; V78-I173 HydrophobicContact CG1-CG1 4.4Å; V165-I173 HydrophobicContact CG1-CD1 4.42Å; V165-I173 HydrophobicContact CG1-CG1 3.93Å; H169-I173 WeakPolarHBondContact O-CG1 3.46Å; H169-I173 PolarHBondContact O-N 3.12Å; F170-I173 WeakPolarHBondContact O-CB 3.16Å; F170-I173 PolarHBondContact O-N 2.79Å; F170-I173 VanDerWaalsContact O-N 3.14Å; I173-M176 PolarHBondContact O-N 3.01Å; I173-G177 PolarHBondContact O-N 3.15Å; I173-A178 HydrophobicContact CG2-CB 4.28Å; I173-A178 PolarHBondContact O-N 3.25Å; I173-E179 HydrophobicContact CG2-CB 4.19Å; I173-I182 HydrophobicContact CB-CD1 4.26Å; I173-I182 HydrophobicContact CD1-CD1 3.41Å; I173-I182 VanDerWaalsContact CD1-CD1 3.41Å; I173-I182 HydrophobicContact CG1-CD1 3.63Å; I173-I182 HydrophobicContact CG2-CD1 3.61Å; I173-I182 HydrophobicContact CG2-CG1 4.43Å |
| 174 | C | 88.4 | Confident | 90.8 | Very high | 52 Ų | 52 | 48.1 Ų | 48.1 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 177.3 | -71.3 | 0 | 0 | 0 | 0 | 111.4 | F170 D171 S172 M176 G177 | F170-C174 VanDerWaalsContact CE1-SG 3.5Å; F170-C174 PolarHBondContact O-N 2.96Å; F170-C174 PolarHBondContact O-SG 3.49Å; D171-C174 PolarHBondContact O-N 3.49Å; S172-C174 PolarHBondContact O-N 3.06Å; C174-M176 PolarHBondContact O-N 2.92Å; C174-G177 PolarHBondContact O-N 3.04Å |
| 175 | S | 88.9 | Confident | 90.7 | Very high | 109 Ų | 109 | 48.2 Ų | 48.2 | 76% | 0.762 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.1 | -29.4 | 177.9 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | D171 S172 | D171-S175 WeakPolarHBondContact O-CB 3.29Å; D171-S175 PolarHBondContact O-N 2.85Å; D171-S175 PolarHBondContact O-OG 3.04Å; S172-S175 PolarHBondContact O-N 3.42Å |
| 176 | M | 86.8 | Confident | 90.8 | Very high | 57 Ų | 57 | 48.2 Ų | 48.2 | 28% | 0.281 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -7.5 | 175.8 | -64.9 | 168 | 66.3 | 0 | 0 | 113.6 | V8 F81 S172 I173 C174 A178 | V8-M176 HydrophobicContact CB-CE 4.15Å; V8-M176 HydrophobicContact CG1-CE 3.68Å; V8-M176 HydrophobicContact CG2-CE 3.25Å; F81-M176 HydrophobicContact CE1-SD 4.04Å; F81-M176 HydrophobicContact CZ-SD 4.24Å; S172-M176 WeakPolarHBondContact O-CG 3.31Å; S172-M176 PolarHBondContact O-N 3.39Å; I173-M176 PolarHBondContact O-N 3.01Å; C174-M176 PolarHBondContact O-N 2.92Å; M176-A178 HydrophobicContact CB-CB 4.36Å; M176-A178 PolarHBondContact O-N 3.47Å |
| 177 | G | 86.9 | Confident | 90.8 | Very high | 52 Ų | 52 | 50.5 Ų | 50.5 | 54% | 0.536 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 21 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I173 C174 | I173-G177 PolarHBondContact O-N 3.15Å; C174-G177 PolarHBondContact O-N 3.04Å |
| 178 | A | 88.1 | Confident | 90.9 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.033 | 28% | 0.277 | C | S | . | . | trans | -91.4 | -6.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I173 M176 A180 H181 I182 | I173-A178 HydrophobicContact CG2-CB 4.28Å; I173-A178 PolarHBondContact O-N 3.25Å; M176-A178 HydrophobicContact CB-CB 4.36Å; M176-A178 PolarHBondContact O-N 3.47Å; A178-A180 PolarHBondContact O-N 2.88Å; A178-H181 WeakPolarHBondContact O-CB 3.21Å; A178-H181 PolarHBondContact O-N 2.99Å; A178-H181 VanDerWaalsContact O-N 3.11Å; A178-I182 PolarHBondContact O-N 3.07Å | ||
| 179 | E | 89.3 | Confident | 91.1 | Very high | 78 Ų | 78 | 44 Ų | 44 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -50.6 | -51.2 | -174 | -168.7 | -145.2 | 159.6 | 0 | 0 | 113.1 | F170 I173 H181 I182 N183 | F170-E179 HydrophobicContact CE2-CG 3.69Å; F170-E179 HydrophobicContact CZ-CG 3.69Å; I173-E179 HydrophobicContact CG2-CB 4.19Å; E179-H181 VanDerWaalsContact C-N 3.28Å; E179-H181 PolarHBondContact O-N 2.74Å; E179-I182 PolarHBondContact O-N 3.37Å; E179-I182 VanDerWaalsContact O-N 3.15Å; E179-N183 WeakPolarHBondContact O-CB 3.48Å; E179-N183 VanDerWaalsContact O-CG 3.25Å; E179-N183 PolarHBondContact O-N 2.88Å; E179-N183 PolarHBondContact OE1-ND2 3.39Å |
| 180 | A | 88.3 | Confident | 91.2 | Very high | 62 Ų | 62 | 45.7 Ų | 45.7 | 51% | 0.512 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.5 | -40.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A178 N183 T184 | A178-A180 PolarHBondContact O-N 2.88Å; A180-N183 PolarHBondContact O-N 2.84Å; A180-T184 PolarHBondContact O-N 3.22Å; A180-T184 PolarHBondContact O-OG1 3.25Å |
| 181 | H | 87.9 | Confident | 91.5 | Very high | 106 Ų | 106 | 43.8 Ų | 43.8 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.1 | -41 | 178.8 | -63.3 | -64.8 | 0 | 0 | 0 | 112.1 | A178 E179 C185 | A178-H181 WeakPolarHBondContact O-CB 3.21Å; A178-H181 PolarHBondContact O-N 2.99Å; A178-H181 VanDerWaalsContact O-N 3.11Å; E179-H181 VanDerWaalsContact C-N 3.28Å; E179-H181 PolarHBondContact O-N 2.74Å; H181-C185 WeakPolarHBondContact O-CB 3.43Å; H181-C185 PolarHBondContact O-N 3.4Å |
| 182 | I | 91.9 | Very high | 91.9 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.8 | -44.6 | 177.2 | -62 | -172.4 | 0 | 0 | 0 | 110.2 | I74 F162 V165 Y166 I173 A178 E179 T184 C185 Y186 | I74-I182 HydrophobicContact CD1-CB 4.45Å; I74-I182 HydrophobicContact CD1-CG1 4.06Å; I74-I182 HydrophobicContact CD1-CG2 4.26Å; I74-I182 HydrophobicContact CG1-CD1 4.38Å; I74-I182 HydrophobicContact CG1-CG1 4.01Å; I74-I182 HydrophobicContact CG2-CD1 3.69Å; I74-I182 HydrophobicContact CG2-CG1 4.19Å; F162-I182 HydrophobicContact CD1-CG2 4.49Å; F162-I182 HydrophobicContact CE1-CG2 4.45Å; V165-I182 HydrophobicContact CG1-CD1 4.19Å; Y166-I182 HydrophobicContact CE1-CG2 4.38Å; Y166-I182 HydrophobicContact CE2-CG2 4.25Å; I173-I182 HydrophobicContact CB-CD1 4.26Å; I173-I182 HydrophobicContact CD1-CD1 3.41Å; I173-I182 VanDerWaalsContact CD1-CD1 3.41Å; I173-I182 HydrophobicContact CG1-CD1 3.63Å; I173-I182 HydrophobicContact CG2-CD1 3.61Å; I173-I182 HydrophobicContact CG2-CG1 4.43Å; A178-I182 PolarHBondContact O-N 3.07Å; E179-I182 PolarHBondContact O-N 3.37Å; E179-I182 VanDerWaalsContact O-N 3.15Å; I182-T184 PolarHBondContact O-N 2.87Å; I182-C185 WeakPolarHBondContact O-CB 3.44Å; I182-C185 PolarHBondContact O-N 3.45Å; I182-C185 VanDerWaalsContact O-N 3.12Å; I182-Y186 WeakPolarHBondContact O-CB 3.4Å; I182-Y186 PolarHBondContact O-N 3.25Å |
| 183 | N | 92.5 | Very high | 92.3 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 14% | 0.144 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.2 | -44 | 176.9 | -68.7 | -10.7 | 0 | 0 | 0 | 111.8 | Y166 E179 A180 C185 Y186 K187 I214 | Y166-N183 WeakPolarHBondContact CE1-OD1 3.5Å; Y166-N183 WeakPolarHBondContact OH-CA 3.24Å; Y166-N183 PolarHBondContact OH-OD1 3.02Å; E179-N183 WeakPolarHBondContact O-CB 3.48Å; E179-N183 VanDerWaalsContact O-CG 3.25Å; E179-N183 PolarHBondContact O-N 2.88Å; E179-N183 PolarHBondContact OE1-ND2 3.39Å; A180-N183 PolarHBondContact O-N 2.84Å; N183-C185 VanDerWaalsContact C-N 3.34Å; N183-C185 PolarHBondContact O-N 3.49Å; N183-Y186 PolarHBondContact O-N 3.14Å; N183-K187 VanDerWaalsContact O-CB 3.24Å; N183-K187 WeakPolarHBondContact O-CB 3.37Å; N183-K187 PolarHBondContact O-N 3.4Å; N183-I214 HydrophobicContact CB-CD1 4.26Å; N183-I214 HydrophobicContact CB-CG2 4.43Å; N183-I214 WeakPolarHBondContact OD1-CD1 3.49Å |
| 184 | T | 92.4 | Very high | 92.7 | Very high | 68 Ų | 68 | 37.7 Ų | 37.7 | 42% | 0.417 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.7 | -40.1 | 174.5 | -58 | 0 | 0 | 0 | 0 | 111.8 | A180 I182 H188 | A180-T184 PolarHBondContact O-N 3.22Å; A180-T184 PolarHBondContact O-OG1 3.25Å; I182-T184 PolarHBondContact O-N 2.87Å; T184-H188 WeakPolarHBondContact O-CB 3.13Å; T184-H188 PolarHBondContact O-N 2.95Å |
| 185 | C | 94.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 3% | 0.027 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -46.3 | 176.2 | -165.4 | 0 | 0 | 0 | 0 | 112.2 | R70 I74 F162 H181 I182 N183 Y189 | R70-C185 VanDerWaalsContact NH2-CA 3.33Å; I74-C185 HydrophobicContact CD1-CB 4.02Å; F162-C185 HydrophobicContact CE1-CB 4.48Å; F162-C185 HydrophobicContact CZ-CB 4.42Å; H181-C185 WeakPolarHBondContact O-CB 3.43Å; H181-C185 PolarHBondContact O-N 3.4Å; I182-C185 WeakPolarHBondContact O-CB 3.44Å; I182-C185 PolarHBondContact O-N 3.45Å; I182-C185 VanDerWaalsContact O-N 3.12Å; N183-C185 VanDerWaalsContact C-N 3.34Å; N183-C185 PolarHBondContact O-N 3.49Å; C185-Y189 VanDerWaalsContact O-CB 3.26Å; C185-Y189 WeakPolarHBondContact O-CB 3.16Å; C185-Y189 PolarHBondContact O-N 3.41Å |
| 186 | Y | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -45.6 | 177.2 | -178.9 | -108.5 | 0 | 0 | 0 | 111.8 | F159 F162 Y166 I182 N183 H188 Y189 Y190 L207 T211 I214 | F159-Y186 HydrophobicContact CD2-CE2 4.29Å; F159-Y186 AromaticContact CE2-CE2 3.92Å; F159-Y186 HydrophobicContact CE2-CE2 3.92Å; F162-Y186 HydrophobicContact CB-CD2 3.97Å; F162-Y186 HydrophobicContact CB-CE2 4.21Å; F162-Y186 AromaticContact CD1-CD2 3.8Å; F162-Y186 HydrophobicContact CD1-CD2 3.8Å; F162-Y186 HydrophobicContact CD1-CG 4.36Å; F162-Y186 AromaticContact CD2-CD2 3.79Å; F162-Y186 HydrophobicContact CD2-CD2 3.79Å; F162-Y186 HydrophobicContact CD2-CE2 4.35Å; F162-Y186 HydrophobicContact CE1-CD2 4.16Å; F162-Y186 HydrophobicContact CE2-CD2 4.13Å; F162-Y186 AromaticContact CG-CD2 3.6Å; F162-Y186 HydrophobicContact CG-CD2 3.6Å; F162-Y186 HydrophobicContact CG-CE2 4.25Å; F162-Y186 HydrophobicContact CZ-CD2 4.31Å; Y166-Y186 HydrophobicContact CE2-CD1 4.29Å; Y166-Y186 HydrophobicContact CE2-CD2 4.1Å; Y166-Y186 AromaticContact CE2-CG 3.86Å; Y166-Y186 HydrophobicContact CE2-CG 3.86Å; I182-Y186 WeakPolarHBondContact O-CB 3.4Å; I182-Y186 PolarHBondContact O-N 3.25Å; N183-Y186 PolarHBondContact O-N 3.14Å; Y186-H188 PolarHBondContact O-N 3.14Å; Y186-Y189 WeakPolarHBondContact O-CB 3.29Å; Y186-Y189 PolarHBondContact O-N 3.44Å; Y186-Y190 VanDerWaalsContact O-CB 3.31Å; Y186-Y190 WeakPolarHBondContact O-CB 3.47Å; Y186-Y190 PolarHBondContact O-N 3.45Å; Y186-L207 HydrophobicContact CD2-CD1 4.49Å; Y186-L207 HydrophobicContact CE2-CD1 3.71Å; Y186-T211 PolarHBondContact OH-OG1 3.48Å; Y186-I214 HydrophobicContact CD1-CD1 4.09Å |
| 187 | K | 95.1 | Very high | 94 | Very high | 61 Ų | 61 | 37.5 Ų | 37.5 | 27% | 0.265 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61 | -46.8 | 178.9 | -170.8 | 170.2 | -175.6 | 155 | 0 | 112.2 | L44 N183 Y190 Y191 I214 | L44-K187 HydrophobicContact CD1-CB 4.08Å; L44-K187 HydrophobicContact CD1-CD 3.86Å; L44-K187 HydrophobicContact CD1-CG 3.72Å; N183-K187 VanDerWaalsContact O-CB 3.24Å; N183-K187 WeakPolarHBondContact O-CB 3.37Å; N183-K187 PolarHBondContact O-N 3.4Å; K187-Y190 PolarHBondContact O-N 3.15Å; K187-Y191 HydrophobicContact CD-CE2 4.27Å; K187-Y191 WeakPolarHBondContact CE-OH 3.29Å; K187-Y191 HydrophobicContact CG-CD2 4.21Å; K187-Y191 HydrophobicContact CG-CE2 3.73Å; K187-Y191 PolarHBondContact O-N 3.03Å; K187-I214 HydrophobicContact CB-CG2 3.98Å; K187-I214 HydrophobicContact CD-CG2 4.22Å; K187-I214 WeakPolarHBondContact CE-O 3.47Å; K187-I214 HydrophobicContact CG-CG2 4.38Å; K187-I214 PolarHBondContact NZ-O 3.34Å |
| 188 | H | 95.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.009 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.9 | -46.7 | 175.5 | -179.5 | -163.2 | 0 | 0 | 0 | 110.8 | L44 V48 H63 F67 R70 T184 Y186 Y190 F192 | L44-H188 HydrophobicContact CD2-CB 4.49Å; V48-H188 VanDerWaalsContact CG1-CD2 3.45Å; V48-H188 WeakPolarHBondContact CG1-CD2 3.24Å; H63-H188 AromaticContact CD2-NE2 3.75Å; H63-H188 AromaticContact NE2-NE2 3.84Å; F67-H188 HydrophobicContact CE1-CB 4.34Å; F67-H188 AromaticContact CE1-CG 3.87Å; F67-H188 AromaticContact CE1-ND1 3.8Å; F67-H188 AromaticContact CZ-CD2 3.93Å; F67-H188 AromaticContact CZ-CE1 4Å; F67-H188 AromaticContact CZ-NE2 3.87Å; R70-H188 PolarHBondContact NH1-ND1 2.9Å; T184-H188 WeakPolarHBondContact O-CB 3.13Å; T184-H188 PolarHBondContact O-N 2.95Å; Y186-H188 PolarHBondContact O-N 3.14Å; H188-Y190 PolarHBondContact O-N 3.2Å; H188-F192 WeakPolarHBondContact O-CB 3.34Å; H188-F192 PolarHBondContact O-N 3Å |
| 189 | Y | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.8 | -49.4 | 176.1 | 172.1 | -88.3 | 0 | 0 | 0 | 112.3 | F67 I71 L155 L158 F159 F162 C185 Y186 Y191 F192 I193 I199 | F67-Y189 HydrophobicContact CB-CD2 4.23Å; F67-Y189 HydrophobicContact CD1-CD2 4.04Å; F67-Y189 AromaticContact CD2-CD2 3.97Å; F67-Y189 HydrophobicContact CD2-CD2 3.97Å; F67-Y189 VanDerWaalsContact CE1-CA 3.44Å; F67-Y189 HydrophobicContact CE1-CD2 4.44Å; F67-Y189 HydrophobicContact CE2-CD2 4.37Å; F67-Y189 AromaticContact CG-CD2 3.82Å; F67-Y189 HydrophobicContact CG-CD2 3.82Å; F67-Y189 VanDerWaalsContact CZ-CA 3.48Å; I71-Y189 HydrophobicContact CD1-CD2 4.24Å; I71-Y189 HydrophobicContact CD1-CE2 4.44Å; L155-Y189 VanDerWaalsContact C-OH 3.3Å; L155-Y189 HydrophobicContact CB-CE2 4.45Å; L155-Y189 HydrophobicContact CD2-CD2 4.32Å; L155-Y189 HydrophobicContact CD2-CE2 3.66Å; L155-Y189 PolarHBondContact O-OH 2.88Å; L158-Y189 HydrophobicContact CB-CE2 4.39Å; F159-Y189 HydrophobicContact CB-CE1 4.36Å; F159-Y189 WeakPolarHBondContact CB-OH 3.09Å; F159-Y189 HydrophobicContact CD2-CE1 4.05Å; F162-Y189 HydrophobicContact CD2-CD1 4.22Å; F162-Y189 HydrophobicContact CD2-CE1 4.41Å; F162-Y189 AromaticContact CE2-CD1 3.86Å; F162-Y189 HydrophobicContact CE2-CD1 3.86Å; F162-Y189 HydrophobicContact CE2-CD2 4.13Å; F162-Y189 HydrophobicContact CE2-CE1 4.37Å; F162-Y189 AromaticContact CE2-CG 3.73Å; F162-Y189 HydrophobicContact CE2-CG 3.73Å; C185-Y189 VanDerWaalsContact O-CB 3.26Å; C185-Y189 WeakPolarHBondContact O-CB 3.16Å; C185-Y189 PolarHBondContact O-N 3.41Å; Y186-Y189 WeakPolarHBondContact O-CB 3.29Å; Y186-Y189 PolarHBondContact O-N 3.44Å; Y189-Y191 PolarHBondContact O-N 3.06Å; Y189-F192 PolarHBondContact O-N 3.36Å; Y189-I193 HydrophobicContact CD1-CD1 4.27Å; Y189-I193 HydrophobicContact CD1-CG2 4.46Å; Y189-I193 HydrophobicContact CD2-CG2 4.42Å; Y189-I193 HydrophobicContact CE1-CD1 3.7Å; Y189-I193 HydrophobicContact CE1-CG1 4.4Å; Y189-I193 HydrophobicContact CE1-CG2 4.02Å; Y189-I193 HydrophobicContact CE2-CG2 4.02Å; Y189-I193 WeakPolarHBondContact O-CG1 3.47Å; Y189-I193 PolarHBondContact O-N 3.32Å; Y189-I199 WeakPolarHBondContact OH-CD1 3.46Å |
| 190 | Y | 97.4 | Very high | 94.9 | Very high | 46 Ų | 46 | 38.5 Ų | 38.5 | 18% | 0.18 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.7 | -45 | -177.8 | 179.3 | -99.2 | 0 | 0 | 0 | 112.2 | Y186 K187 H188 F192 I193 S194 L204 T211 C215 | Y186-Y190 VanDerWaalsContact O-CB 3.31Å; Y186-Y190 WeakPolarHBondContact O-CB 3.47Å; Y186-Y190 PolarHBondContact O-N 3.45Å; K187-Y190 PolarHBondContact O-N 3.15Å; H188-Y190 PolarHBondContact O-N 3.2Å; Y190-F192 VanDerWaalsContact C-N 3.34Å; Y190-F192 PolarHBondContact O-N 3.37Å; Y190-I193 HydrophobicContact CD2-CD1 4.32Å; Y190-I193 WeakPolarHBondContact O-CG1 3.36Å; Y190-S194 VanDerWaalsContact O-CB 3.29Å; Y190-S194 WeakPolarHBondContact O-CB 3.4Å; Y190-S194 PolarHBondContact O-N 3.37Å; Y190-S194 VanDerWaalsContact O-N 3.07Å; Y190-S194 PolarHBondContact O-OG 3.1Å; Y190-L204 HydrophobicContact CE2-CD1 4.01Å; Y190-T211 HydrophobicContact CD1-CG2 3.84Å; Y190-T211 HydrophobicContact CD2-CG2 3.71Å; Y190-T211 HydrophobicContact CE1-CG2 3.53Å; Y190-T211 HydrophobicContact CE2-CG2 3.39Å; Y190-T211 HydrophobicContact CG-CG2 3.93Å; Y190-C215 HydrophobicContact CD1-CB 4.17Å; Y190-C215 HydrophobicContact CE1-CB 4.39Å |
| 191 | Y | 96.8 | Very high | 95 | Very high | 13 Ų | 13 | 42.7 Ų | 42.7 | 5% | 0.051 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.8 | -39.8 | 175.9 | -67.7 | -21.1 | 0 | 0 | 0 | 112 | L44 R45 K187 Y189 S194 E195 C215 | L44-Y191 HydrophobicContact CB-CD2 3.53Å; L44-Y191 HydrophobicContact CB-CE2 3.81Å; R45-Y191 HydrophobicContact CG-CD1 4.21Å; R45-Y191 HydrophobicContact CG-CD2 3.69Å; R45-Y191 HydrophobicContact CG-CE1 4.17Å; R45-Y191 HydrophobicContact CG-CE2 3.62Å; R45-Y191 HydrophobicContact CG-CG 4Å; R45-Y191 VanDerWaalsContact CZ-CE1 3.45Å; K187-Y191 HydrophobicContact CD-CE2 4.27Å; K187-Y191 WeakPolarHBondContact CE-OH 3.29Å; K187-Y191 HydrophobicContact CG-CD2 4.21Å; K187-Y191 HydrophobicContact CG-CE2 3.73Å; K187-Y191 PolarHBondContact O-N 3.03Å; Y189-Y191 PolarHBondContact O-N 3.06Å; Y191-S194 PolarHBondContact O-N 2.78Å; Y191-E195 WeakPolarHBondContact O-CB 3.33Å; Y191-E195 PolarHBondContact O-N 3.29Å; Y191-C215 HydrophobicContact CE1-CB 3.78Å; Y191-C215 PolarHBondContact OH-O 2.85Å |
| 192 | F | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.9 | -48 | 178.3 | -175.2 | -93.3 | 0 | 0 | 0 | 112.4 | V48 W59 I60 H63 F67 H188 Y189 Y190 S194 E195 F196 L198 | V48-F192 HydrophobicContact CB-CB 4.25Å; V48-F192 HydrophobicContact CB-CD2 4.03Å; V48-F192 HydrophobicContact CG1-CB 3.83Å; V48-F192 HydrophobicContact CG1-CD2 4.21Å; W59-F192 AromaticContact CD1-CE2 3.94Å; W59-F192 AromaticContact NE1-CE2 3.81Å; I60-F192 HydrophobicContact CG1-CZ 4.08Å; H63-F192 HydrophobicContact CB-CD1 4.11Å; H63-F192 HydrophobicContact CB-CD2 3.99Å; H63-F192 HydrophobicContact CB-CE1 3.65Å; H63-F192 HydrophobicContact CB-CE2 3.54Å; H63-F192 HydrophobicContact CB-CG 4.27Å; H63-F192 HydrophobicContact CB-CZ 3.39Å; H63-F192 AromaticContact CD2-CD2 3.37Å; H63-F192 WeakPolarHBondContact CD2-CD2 3.36Å; H63-F192 AromaticContact CD2-CE2 3.51Å; H63-F192 AromaticContact CE1-CE2 3.99Å; H63-F192 AromaticContact CG-CD2 3.53Å; H63-F192 AromaticContact CG-CE2 3.16Å; H63-F192 AromaticContact CG-CZ 3.58Å; H63-F192 AromaticContact ND1-CE2 3.48Å; H63-F192 WeakPolarHBondContact ND1-CE2 3.26Å; H63-F192 AromaticContact NE2-CD2 3.98Å; F67-F192 HydrophobicContact CD2-CD1 4.47Å; F67-F192 HydrophobicContact CE2-CB 3.75Å; F67-F192 AromaticContact CE2-CD1 3.61Å; F67-F192 HydrophobicContact CE2-CD1 3.61Å; F67-F192 HydrophobicContact CE2-CD2 4.48Å; F67-F192 HydrophobicContact CE2-CE1 4.39Å; F67-F192 AromaticContact CE2-CG 3.67Å; F67-F192 HydrophobicContact CE2-CG 3.67Å; F67-F192 HydrophobicContact CZ-CB 3.75Å; F67-F192 HydrophobicContact CZ-CD1 4.46Å; F67-F192 HydrophobicContact CZ-CG 4.1Å; H188-F192 WeakPolarHBondContact O-CB 3.34Å; H188-F192 PolarHBondContact O-N 3Å; Y189-F192 PolarHBondContact O-N 3.36Å; Y190-F192 VanDerWaalsContact C-N 3.34Å; Y190-F192 PolarHBondContact O-N 3.37Å; F192-S194 PolarHBondContact O-N 2.65Å; F192-E195 PolarHBondContact O-N 2.7Å; F192-F196 HydrophobicContact CD2-CD2 4.04Å; F192-F196 AromaticContact CD2-CE2 3.84Å; F192-F196 HydrophobicContact CD2-CE2 3.84Å; F192-F196 HydrophobicContact CE1-CD2 4.2Å; F192-F196 AromaticContact CE2-CD2 3.65Å; F192-F196 HydrophobicContact CE2-CD2 3.65Å; F192-F196 AromaticContact CE2-CE2 3.37Å; F192-F196 HydrophobicContact CE2-CE2 3.37Å; F192-F196 HydrophobicContact CE2-CZ 4.5Å; F192-F196 HydrophobicContact CG-CD2 4.44Å; F192-F196 AromaticContact CZ-CD2 3.71Å; F192-F196 HydrophobicContact CZ-CD2 3.71Å; F192-F196 AromaticContact CZ-CE2 3.85Å; F192-F196 HydrophobicContact CZ-CE2 3.85Å; F192-F196 WeakPolarHBondContact O-CD2 3.35Å; F192-F196 PolarHBondContact O-N 3.23Å; F192-L198 HydrophobicContact CD1-CD1 3.91Å; F192-L198 HydrophobicContact CE1-CD1 3.45Å; F192-L198 VanDerWaalsContact CE1-CD1 3.45Å; F192-L198 HydrophobicContact CZ-CD1 4.32Å |
| 193 | I | 97.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.015 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.1 | -30 | 178.6 | 64.1 | 169.6 | 0 | 0 | 0 | 112.1 | L155 Y189 Y190 S197 L198 I199 L204 | L155-I193 HydrophobicContact CB-CG2 4.4Å; L155-I193 HydrophobicContact CD1-CG2 4.31Å; L155-I193 HydrophobicContact CD2-CG2 4.39Å; Y189-I193 HydrophobicContact CD1-CD1 4.27Å; Y189-I193 HydrophobicContact CD1-CG2 4.46Å; Y189-I193 HydrophobicContact CD2-CG2 4.42Å; Y189-I193 HydrophobicContact CE1-CD1 3.7Å; Y189-I193 HydrophobicContact CE1-CG1 4.4Å; Y189-I193 HydrophobicContact CE1-CG2 4.02Å; Y189-I193 HydrophobicContact CE2-CG2 4.02Å; Y189-I193 WeakPolarHBondContact O-CG1 3.47Å; Y189-I193 PolarHBondContact O-N 3.32Å; Y190-I193 HydrophobicContact CD2-CD1 4.32Å; Y190-I193 WeakPolarHBondContact O-CG1 3.36Å; I193-S197 WeakPolarHBondContact O-CA 3.41Å; I193-S197 PolarHBondContact O-N 3.07Å; I193-S197 VanDerWaalsContact O-N 3.1Å; I193-L198 HydrophobicContact CB-CB 4.31Å; I193-L198 HydrophobicContact CG2-CB 4.48Å; I193-L198 PolarHBondContact O-N 3.41Å; I193-I199 HydrophobicContact CB-CD1 4.34Å; I193-I199 HydrophobicContact CB-CG1 4.36Å; I193-I199 HydrophobicContact CD1-CB 4.31Å; I193-I199 HydrophobicContact CD1-CD1 3.78Å; I193-I199 HydrophobicContact CD1-CG1 4.33Å; I193-I199 HydrophobicContact CG2-CD1 4.01Å; I193-I199 HydrophobicContact CG2-CG1 4.36Å; I193-L204 HydrophobicContact CD1-CD1 4.01Å; I193-L204 HydrophobicContact CD1-CD2 3.67Å |
| 194 | S | 96.5 | Very high | 95.3 | Very high | 42 Ų | 42 | 43.8 Ų | 43.8 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -73.9 | -47.1 | 178.8 | -60 | 0 | 0 | 0 | 0 | 111 | Y190 Y191 F192 F196 S197 | Y190-S194 VanDerWaalsContact O-CB 3.29Å; Y190-S194 WeakPolarHBondContact O-CB 3.4Å; Y190-S194 PolarHBondContact O-N 3.37Å; Y190-S194 VanDerWaalsContact O-N 3.07Å; Y190-S194 PolarHBondContact O-OG 3.1Å; Y191-S194 PolarHBondContact O-N 2.78Å; F192-S194 PolarHBondContact O-N 2.65Å; S194-F196 PolarHBondContact O-N 2.92Å; S194-S197 PolarHBondContact O-N 3.45Å |
| 195 | E | 97.2 | Very high | 95.4 | Very high | 91 Ų | 91 | 43.4 Ų | 43.4 | 43% | 0.425 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -53.2 | -42.5 | 179.1 | -179.4 | 63.7 | -166.7 | 0 | 0 | 111.8 | V48 Y191 F192 | V48-E195 HydrophobicContact CG2-CB 4.07Å; V48-E195 HydrophobicContact CG2-CG 4.31Å; Y191-E195 WeakPolarHBondContact O-CB 3.33Å; Y191-E195 PolarHBondContact O-N 3.29Å; F192-E195 PolarHBondContact O-N 2.7Å |
| 196 | F | 97.6 | Very high | 95.5 | Very high | 37 Ų | 37 | 44.3 Ų | 44.3 | 16% | 0.162 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 10.3 | -176.1 | -60.4 | -70.5 | 0 | 0 | 0 | 114.1 | V48 L50 I56 W59 F192 S194 L198 | V48-F196 VanDerWaalsContact O-CE2 3.28Å; V48-F196 WeakPolarHBondContact O-CE2 3.39Å; L50-F196 HydrophobicContact CB-CE1 4.17Å; L50-F196 HydrophobicContact CB-CZ 4.1Å; I56-F196 HydrophobicContact CD1-CD1 4.05Å; I56-F196 HydrophobicContact CD1-CE1 4.29Å; I56-F196 HydrophobicContact CG1-CD1 4.41Å; I56-F196 HydrophobicContact CG1-CE1 4.38Å; W59-F196 AromaticContact CD1-CE2 3.71Å; W59-F196 AromaticContact CD1-CZ 3.48Å; W59-F196 VanDerWaalsContact CD1-CZ 3.48Å; W59-F196 AromaticContact NE1-CE2 3.78Å; W59-F196 AromaticContact NE1-CZ 3.71Å; F192-F196 HydrophobicContact CD2-CD2 4.04Å; F192-F196 AromaticContact CD2-CE2 3.84Å; F192-F196 HydrophobicContact CD2-CE2 3.84Å; F192-F196 HydrophobicContact CE1-CD2 4.2Å; F192-F196 AromaticContact CE2-CD2 3.65Å; F192-F196 HydrophobicContact CE2-CD2 3.65Å; F192-F196 AromaticContact CE2-CE2 3.37Å; F192-F196 HydrophobicContact CE2-CE2 3.37Å; F192-F196 HydrophobicContact CE2-CZ 4.5Å; F192-F196 HydrophobicContact CG-CD2 4.44Å; F192-F196 AromaticContact CZ-CD2 3.71Å; F192-F196 HydrophobicContact CZ-CD2 3.71Å; F192-F196 AromaticContact CZ-CE2 3.85Å; F192-F196 HydrophobicContact CZ-CE2 3.85Å; F192-F196 WeakPolarHBondContact O-CD2 3.35Å; F192-F196 PolarHBondContact O-N 3.23Å; S194-F196 PolarHBondContact O-N 2.92Å; F196-L198 VanDerWaalsContact C-N 3.29Å; F196-L198 HydrophobicContact CB-CD1 3.84Å; F196-L198 HydrophobicContact CB-CD2 3.96Å; F196-L198 HydrophobicContact CB-CG 3.64Å; F196-L198 PolarHBondContact O-N 2.85Å |
| 197 | S | 96.6 | Very high | 95.4 | Very high | 86 Ų | 86 | 44.6 Ų | 44.6 | 60% | 0.601 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 49.4 | -179.8 | -61.2 | 0 | 0 | 0 | 0 | 113 | K152 I193 S194 | K152-S197 PolarHBondContact NZ-O 3.05Å; I193-S197 WeakPolarHBondContact O-CA 3.41Å; I193-S197 PolarHBondContact O-N 3.07Å; I193-S197 VanDerWaalsContact O-N 3.1Å; S194-S197 PolarHBondContact O-N 3.45Å |
| 198 | L | 96.5 | Very high | 95.4 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | trans | -87.3 | -14.3 | -171.9 | -61.9 | 175.8 | 0 | 0 | 0 | 113.4 | I60 K152 L155 F192 I193 F196 | I60-L198 HydrophobicContact CD1-CD2 4.26Å; K152-L198 WeakPolarHBondContact CB-O 3.38Å; K152-L198 HydrophobicContact CG-CB 4.33Å; K152-L198 HydrophobicContact CG-CD2 4.12Å; K152-L198 WeakPolarHBondContact CG-O 3.45Å; L155-L198 HydrophobicContact CD1-CB 3.89Å; L155-L198 HydrophobicContact CD1-CD1 3.45Å; L155-L198 VanDerWaalsContact CD1-CD1 3.45Å; L155-L198 HydrophobicContact CD1-CG 4.22Å; F192-L198 HydrophobicContact CD1-CD1 3.91Å; F192-L198 HydrophobicContact CE1-CD1 3.45Å; F192-L198 VanDerWaalsContact CE1-CD1 3.45Å; F192-L198 HydrophobicContact CZ-CD1 4.32Å; I193-L198 HydrophobicContact CB-CB 4.31Å; I193-L198 HydrophobicContact CG2-CB 4.48Å; I193-L198 PolarHBondContact O-N 3.41Å; F196-L198 VanDerWaalsContact C-N 3.29Å; F196-L198 HydrophobicContact CB-CD1 3.84Å; F196-L198 HydrophobicContact CB-CD2 3.96Å; F196-L198 HydrophobicContact CB-CG 3.64Å; F196-L198 PolarHBondContact O-N 2.85Å | ||
| 199 | I | 95.4 | Very high | 95.1 | Very high | 17 Ų | 17 | 51.8 Ų | 51.8 | 9% | 0.087 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -137.4 | 141.8 | 178.5 | -60.6 | -178 | 0 | 0 | 0 | 108.7 | L155 F159 Y189 I193 E203 L204 | L155-I199 HydrophobicContact CB-CD1 4.06Å; L155-I199 HydrophobicContact CB-CG1 4.35Å; F159-I199 HydrophobicContact CB-CD1 4.39Å; Y189-I199 WeakPolarHBondContact OH-CD1 3.46Å; I193-I199 HydrophobicContact CB-CD1 4.34Å; I193-I199 HydrophobicContact CB-CG1 4.36Å; I193-I199 HydrophobicContact CD1-CB 4.31Å; I193-I199 HydrophobicContact CD1-CD1 3.78Å; I193-I199 HydrophobicContact CD1-CG1 4.33Å; I193-I199 HydrophobicContact CG2-CD1 4.01Å; I193-I199 HydrophobicContact CG2-CG1 4.36Å; I199-E203 HydrophobicContact CG2-CB 3.73Å; I199-E203 HydrophobicContact CG2-CG 4.48Å; I199-L204 HydrophobicContact CB-CD2 4.39Å; I199-L204 HydrophobicContact CD1-CD2 4.48Å; I199-L204 HydrophobicContact CG2-CD2 3.78Å; I199-L204 HydrophobicContact CG2-CG 3.99Å |
| 200 | E | 91.9 | Very high | 94.8 | Very high | 135 Ų | 135 | 54 Ų | 54 | 63% | 0.631 | 28% | 0.282 | S | S | * | . | trans | -69.7 | 140.7 | 174.5 | -63.8 | -171.9 | 177.1 | 0 | 0 | 111.3 | S202 E203 | E200-S202 PolarHBondContact O-N 3.27Å; E200-S202 VanDerWaalsContact O-N 3.14Å; E200-E203 HydrophobicContact CB-CG 4.49Å; E200-E203 WeakPolarHBondContact O-CB 3.47Å; E200-E203 PolarHBondContact O-N 3.04Å | ||
| 201 | H | 89.9 | Confident | 94.6 | Very high | 149 Ų | 149 | 52.1 Ų | 52.1 | 69% | 0.69 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -57.9 | -31.2 | -179.7 | -71.5 | -68.5 | 0 | 0 | 0 | 113.6 | E203 L204 | H201-E203 VanDerWaalsContact C-N 3.27Å; H201-E203 PolarHBondContact O-N 3.14Å; H201-L204 PolarHBondContact O-N 3.31Å; H201-L204 VanDerWaalsContact O-N 3.14Å |
| 202 | S | 91.3 | Very high | 94.4 | Very high | 81 Ų | 81 | 56.5 Ų | 56.5 | 57% | 0.566 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.5 | -33 | 175 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | E200 L204 | E200-S202 PolarHBondContact O-N 3.27Å; E200-S202 VanDerWaalsContact O-N 3.14Å; S202-L204 VanDerWaalsContact C-N 3.28Å; S202-L204 PolarHBondContact O-N 3.28Å |
| 203 | E | 92.3 | Very high | 93.9 | Very high | 68 Ų | 68 | 64.4 Ų | 64.4 | 32% | 0.318 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -73.9 | -21.9 | 177.1 | -67.2 | -164.2 | -110.5 | 0 | 0 | 112.3 | S156 F159 I199 E200 H201 P206 | S156-E203 WeakPolarHBondContact CB-OE2 3.5Å; F159-E203 WeakPolarHBondContact CE1-O 3.37Å; I199-E203 HydrophobicContact CG2-CB 3.73Å; I199-E203 HydrophobicContact CG2-CG 4.48Å; E200-E203 HydrophobicContact CB-CG 4.49Å; E200-E203 WeakPolarHBondContact O-CB 3.47Å; E200-E203 PolarHBondContact O-N 3.04Å; H201-E203 VanDerWaalsContact C-N 3.27Å; H201-E203 PolarHBondContact O-N 3.14Å; E203-P206 VanDerWaalsContact O-CD 3.29Å; E203-P206 WeakPolarHBondContact O-CD 3.16Å |
| 204 | L | 95.2 | Very high | 93.4 | Very high | 13 Ų | 13 | 65.4 Ų | 65.4 | 7% | 0.068 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -87.5 | -9.8 | -177 | -58.2 | 176.8 | 0 | 0 | 0 | 113.7 | F159 Y190 I193 I199 H201 S202 P206 L207 R208 | F159-L204 HydrophobicContact CD1-CD2 4.29Å; F159-L204 HydrophobicContact CD2-CD2 3.82Å; F159-L204 HydrophobicContact CE1-CD2 4.16Å; F159-L204 HydrophobicContact CE2-CD2 3.64Å; F159-L204 HydrophobicContact CG-CD2 4.13Å; F159-L204 HydrophobicContact CZ-CB 4.37Å; F159-L204 HydrophobicContact CZ-CD2 3.83Å; Y190-L204 HydrophobicContact CE2-CD1 4.01Å; I193-L204 HydrophobicContact CD1-CD1 4.01Å; I193-L204 HydrophobicContact CD1-CD2 3.67Å; I199-L204 HydrophobicContact CB-CD2 4.39Å; I199-L204 HydrophobicContact CD1-CD2 4.48Å; I199-L204 HydrophobicContact CG2-CD2 3.78Å; I199-L204 HydrophobicContact CG2-CG 3.99Å; H201-L204 PolarHBondContact O-N 3.31Å; H201-L204 VanDerWaalsContact O-N 3.14Å; S202-L204 VanDerWaalsContact C-N 3.28Å; S202-L204 PolarHBondContact O-N 3.28Å; L204-P206 VanDerWaalsContact C-N 3.34Å; L204-L207 PolarHBondContact O-N 2.65Å; L204-L207 VanDerWaalsContact O-N 3.15Å; L204-R208 PolarHBondContact O-N 2.96Å |
| 205 | E | 95 | Very high | 92.9 | Very high | 60 Ų | 60 | 63.6 Ų | 63.6 | 28% | 0.28 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -48.2 | -43 | 179.6 | -129.4 | -61.7 | 135.4 | 0 | 0 | 114.4 | Y96 L207 R208 | Y96-E205 PolarHBondContact OH-OE2 2.94Å; E205-L207 PolarHBondContact O-N 2.94Å; E205-R208 WeakPolarHBondContact O-CB 3.35Å; E205-R208 PolarHBondContact O-N 3.34Å; E205-R208 IonicContact OE1-CZ 3.94Å; E205-R208 IonicContact OE1-NE 3.9Å; E205-R208 IonicContact OE1-NH1 3.59Å; E205-R208 PolarHBondContact OE1-NH1 2.67Å; E205-R208 IonicContact OE1-NH2 2.66Å |
| 206 | P | 95.3 | Very high | 91.8 | Very high | 22 Ų | 22 | 66.6 Ų | 66.6 | 14% | 0.143 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -55.7 | -25.7 | -178.6 | -24.8 | 32.5 | 0 | 0 | 0 | 115.1 | Y96 F159 V163 E203 L204 | Y96-P206 HydrophobicContact CD1-CG 3.92Å; Y96-P206 HydrophobicContact CD2-CB 3.7Å; Y96-P206 HydrophobicContact CD2-CG 3.66Å; Y96-P206 HydrophobicContact CE1-CG 3.95Å; Y96-P206 HydrophobicContact CE2-CB 3.76Å; Y96-P206 HydrophobicContact CE2-CG 3.69Å; Y96-P206 HydrophobicContact CG-CB 4.26Å; Y96-P206 HydrophobicContact CG-CG 3.78Å; F159-P206 HydrophobicContact CE1-CG 4.44Å; V163-P206 HydrophobicContact CG1-CB 3.76Å; V163-P206 HydrophobicContact CG2-CB 3.98Å; E203-P206 VanDerWaalsContact O-CD 3.29Å; E203-P206 WeakPolarHBondContact O-CD 3.16Å; L204-P206 VanDerWaalsContact C-N 3.34Å |
| 207 | L | 95.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 68.1 Ų | 68.1 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -115.9 | 18.6 | 177.4 | -65.8 | -179.2 | 0 | 0 | 0 | 113.2 | F159 F162 V163 Y166 Y186 L204 E205 A209 M210 T211 | F159-L207 HydrophobicContact CE2-CB 4.26Å; F159-L207 HydrophobicContact CE2-CD1 3.79Å; F159-L207 HydrophobicContact CE2-CG 4.32Å; F159-L207 HydrophobicContact CZ-CB 3.91Å; F159-L207 HydrophobicContact CZ-CD1 3.94Å; F159-L207 HydrophobicContact CZ-CG 3.99Å; F162-L207 HydrophobicContact CB-CD1 3.92Å; V163-L207 HydrophobicContact CB-CG 4.46Å; V163-L207 HydrophobicContact CG2-CD1 3.96Å; V163-L207 HydrophobicContact CG2-CG 3.92Å; Y166-L207 HydrophobicContact CD2-CD1 3.9Å; Y166-L207 HydrophobicContact CD2-CD2 4.26Å; Y166-L207 HydrophobicContact CG-CD2 4.39Å; Y186-L207 HydrophobicContact CD2-CD1 4.49Å; Y186-L207 HydrophobicContact CE2-CD1 3.71Å; L204-L207 PolarHBondContact O-N 2.65Å; L204-L207 VanDerWaalsContact O-N 3.15Å; E205-L207 PolarHBondContact O-N 2.94Å; L207-A209 PolarHBondContact O-N 2.96Å; L207-M210 HydrophobicContact CB-CB 4.43Å; L207-M210 HydrophobicContact CD2-CB 4.35Å; L207-M210 PolarHBondContact O-N 2.81Å; L207-T211 WeakPolarHBondContact O-CB 3.49Å; L207-T211 PolarHBondContact O-N 3.19Å; L207-T211 PolarHBondContact O-OG1 3.35Å |
| 208 | R | 94.1 | Very high | 91.3 | Very high | 143 Ų | 143 | 67.1 Ų | 67.1 | 54% | 0.54 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -52.1 | -54.2 | -177.3 | -171.4 | -176.7 | 74.7 | -152 | -8.3 | 112.7 | L204 E205 M210 T211 E212 | L204-R208 PolarHBondContact O-N 2.96Å; E205-R208 WeakPolarHBondContact O-CB 3.35Å; E205-R208 PolarHBondContact O-N 3.34Å; E205-R208 IonicContact OE1-CZ 3.94Å; E205-R208 IonicContact OE1-NE 3.9Å; E205-R208 IonicContact OE1-NH1 3.59Å; E205-R208 PolarHBondContact OE1-NH1 2.67Å; E205-R208 IonicContact OE1-NH2 2.66Å; R208-M210 PolarHBondContact O-N 3.4Å; R208-T211 WeakPolarHBondContact O-CB 3.47Å; R208-T211 PolarHBondContact O-N 3.16Å; R208-T211 VanDerWaalsContact O-N 3.15Å; R208-E212 IonicContact NE-OE1 3.02Å; R208-E212 WeakPolarHBondContact O-CG 3.1Å; R208-E212 PolarHBondContact O-N 2.9Å |
| 209 | A | 90.8 | Very high | 91 | Very high | 71 Ų | 71 | 70.6 Ų | 70.6 | 59% | 0.587 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.3 | -38.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L207 T211 E212 K213 | L207-A209 PolarHBondContact O-N 2.96Å; A209-T211 VanDerWaalsContact C-N 3.32Å; A209-E212 PolarHBondContact O-N 2.98Å; A209-K213 PolarHBondContact O-N 3.15Å; A209-K213 VanDerWaalsContact O-N 3.16Å |
| 210 | M | 90.3 | Very high | 90.7 | Very high | 47 Ų | 47 | 73.8 Ų | 73.8 | 23% | 0.232 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 175.7 | -174.3 | 60.3 | 77 | 0 | 0 | 111.2 | Y166 L207 R208 K213 I214 | Y166-M210 HydrophobicContact CD1-CE 3.87Å; Y166-M210 HydrophobicContact CD1-CG 4.29Å; Y166-M210 HydrophobicContact CD1-SD 4.41Å; Y166-M210 HydrophobicContact CE1-CE 4.31Å; Y166-M210 HydrophobicContact CE1-CG 4.29Å; Y166-M210 HydrophobicContact CE1-SD 4.32Å; Y166-M210 HydrophobicContact CG-CG 4.47Å; L207-M210 HydrophobicContact CB-CB 4.43Å; L207-M210 HydrophobicContact CD2-CB 4.35Å; L207-M210 PolarHBondContact O-N 2.81Å; R208-M210 PolarHBondContact O-N 3.4Å; M210-K213 PolarHBondContact O-N 2.94Å; M210-I214 HydrophobicContact CG-CD1 3.62Å; M210-I214 HydrophobicContact CG-CG1 4.35Å; M210-I214 WeakPolarHBondContact O-CG1 3.42Å; M210-I214 PolarHBondContact O-N 3.3Å; M210-I214 HydrophobicContact SD-CD1 3.62Å; M210-I214 HydrophobicContact SD-CG1 4.06Å |
| 211 | T | 93.4 | Very high | 90.6 | Very high | 7 Ų | 7 | 69.9 Ų | 69.9 | 4% | 0.043 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 177.8 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | Y186 Y190 L207 R208 A209 K213 I214 C215 | Y186-T211 PolarHBondContact OH-OG1 3.48Å; Y190-T211 HydrophobicContact CD1-CG2 3.84Å; Y190-T211 HydrophobicContact CD2-CG2 3.71Å; Y190-T211 HydrophobicContact CE1-CG2 3.53Å; Y190-T211 HydrophobicContact CE2-CG2 3.39Å; Y190-T211 HydrophobicContact CG-CG2 3.93Å; L207-T211 WeakPolarHBondContact O-CB 3.49Å; L207-T211 PolarHBondContact O-N 3.19Å; L207-T211 PolarHBondContact O-OG1 3.35Å; R208-T211 WeakPolarHBondContact O-CB 3.47Å; R208-T211 PolarHBondContact O-N 3.16Å; R208-T211 VanDerWaalsContact O-N 3.15Å; A209-T211 VanDerWaalsContact C-N 3.32Å; T211-K213 VanDerWaalsContact C-N 3.26Å; T211-K213 PolarHBondContact O-N 2.99Å; T211-I214 PolarHBondContact O-N 3.25Å; T211-C215 HydrophobicContact CG2-CB 4.28Å; T211-C215 WeakPolarHBondContact O-CA 3.33Å; T211-C215 WeakPolarHBondContact O-CB 3.33Å; T211-C215 PolarHBondContact O-N 3.33Å |
| 212 | E | 91.8 | Very high | 90.7 | Very high | 104 Ų | 104 | 64.7 Ų | 64.7 | 49% | 0.486 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.8 | -41.7 | 174.3 | -73.7 | 167.1 | -170.2 | 0 | 0 | 111.5 | R208 A209 N216 | R208-E212 IonicContact NE-OE1 3.02Å; R208-E212 WeakPolarHBondContact O-CG 3.1Å; R208-E212 PolarHBondContact O-N 2.9Å; A209-E212 PolarHBondContact O-N 2.98Å; E212-N216 WeakPolarHBondContact O-CB 3.39Å; E212-N216 PolarHBondContact O-N 2.66Å |
| 213 | K | 88.9 | Confident | 90.7 | Very high | 167 Ų | 167 | 63.5 Ų | 63.5 | 73% | 0.726 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -71.8 | -35 | 179.9 | -172.7 | -179.9 | 177.2 | -173.2 | 0 | 114.5 | A209 M210 T211 | A209-K213 PolarHBondContact O-N 3.15Å; A209-K213 VanDerWaalsContact O-N 3.16Å; M210-K213 PolarHBondContact O-N 2.94Å; T211-K213 VanDerWaalsContact C-N 3.26Å; T211-K213 PolarHBondContact O-N 2.99Å |
| 214 | I | 87 | Confident | 90.5 | Very high | 24 Ų | 24 | 63.2 Ų | 63.2 | 12% | 0.123 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -90.7 | -35.3 | -174.1 | -65.7 | 175.4 | 0 | 0 | 0 | 111.7 | Y166 N183 Y186 K187 M210 T211 | Y166-I214 HydrophobicContact CE1-CD1 4.33Å; N183-I214 HydrophobicContact CB-CD1 4.26Å; N183-I214 HydrophobicContact CB-CG2 4.43Å; N183-I214 WeakPolarHBondContact OD1-CD1 3.49Å; Y186-I214 HydrophobicContact CD1-CD1 4.09Å; K187-I214 HydrophobicContact CB-CG2 3.98Å; K187-I214 HydrophobicContact CD-CG2 4.22Å; K187-I214 WeakPolarHBondContact CE-O 3.47Å; K187-I214 HydrophobicContact CG-CG2 4.38Å; K187-I214 PolarHBondContact NZ-O 3.34Å; M210-I214 HydrophobicContact CG-CD1 3.62Å; M210-I214 HydrophobicContact CG-CG1 4.35Å; M210-I214 WeakPolarHBondContact O-CG1 3.42Å; M210-I214 PolarHBondContact O-N 3.3Å; M210-I214 HydrophobicContact SD-CD1 3.62Å; M210-I214 HydrophobicContact SD-CG1 4.06Å; T211-I214 PolarHBondContact O-N 3.25Å |
| 215 | C | 84.9 | Confident | 90.1 | Very high | 4 Ų | 4 | 67.3 Ų | 67.3 | 3% | 0.027 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -104.7 | -13.7 | -166.5 | -59.4 | 0 | 0 | 0 | 0 | 114 | Y190 Y191 T211 | Y190-C215 HydrophobicContact CD1-CB 4.17Å; Y190-C215 HydrophobicContact CE1-CB 4.39Å; Y191-C215 HydrophobicContact CE1-CB 3.78Å; Y191-C215 PolarHBondContact OH-O 2.85Å; T211-C215 HydrophobicContact CG2-CB 4.28Å; T211-C215 WeakPolarHBondContact O-CA 3.33Å; T211-C215 WeakPolarHBondContact O-CB 3.33Å; T211-C215 PolarHBondContact O-N 3.33Å |
| 216 | N | 75.2 | Confident | 89.7 | Confident | 153 Ų | 153 | 68 Ų | 68 | 82% | 0.818 | 34% | 0.341 | S | S | * | . | trans | -124.9 | 0 | 177.1 | -54.4 | -29.6 | 0 | 0 | 0 | 109.9 | E212 | E212-N216 WeakPolarHBondContact O-CB 3.39Å; E212-N216 PolarHBondContact O-N 2.66Å |
Retrieved 216 of 216 residues in 523.8 ms
(Link to these results)