| 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 | Y | 89.5 | Confident | 95.4 | Very high | 79 Ų | 79 | 49.7 Ų | 49.7 | 31% | 0.31 | 26% | 0.262 | S | S | . | . | 0 | 104.7 | 0 | -165.8 | -128.1 | 0 | 0 | 0 | 107 | T5 E6 V9 Q62 R65 | Y1-T5 HydrophobicContact CE2-CG2 4.11Å; Y1-E6 HydrophobicContact CD1-CB 4.17Å; Y1-E6 HydrophobicContact CE1-CB 3.53Å; Y1-E6 HydrophobicContact CE1-CG 3.85Å; Y1-E6 WeakPolarHBondContact OH-CA 3.34Å; Y1-V9 WeakPolarHBondContact OH-CG2 3.49Å; Y1-Q62 VanDerWaalsContact CZ-OE1 3.28Å; Y1-Q62 PolarHBondContact OH-OE1 2.98Å; Y1-R65 HydrophobicContact CD1-CB 3.89Å; Y1-R65 HydrophobicContact CD2-CB 3.99Å; Y1-R65 HydrophobicContact CD2-CG 4.24Å; Y1-R65 HydrophobicContact CE1-CB 4.02Å; Y1-R65 HydrophobicContact CE2-CB 4.14Å; Y1-R65 HydrophobicContact CE2-CG 4.21Å; Y1-R65 HydrophobicContact CG-CB 3.88Å | |||
| 2 | H | 95 | Very high | 95.5 | Very high | 82 Ų | 82 | 45.6 Ų | 45.6 | 38% | 0.38 | 24% | 0.24 | S | C | . | . | trans | -80.9 | 145.1 | -171.9 | -169.8 | -106.3 | 0 | 0 | 0 | 110.8 | E4 T5 E6 N113 | H2-E4 VanDerWaalsContact C-N 3.26Å; H2-E4 IonicContact CE1-OE2 3.57Å; H2-E4 WeakPolarHBondContact ND1-CB 3.42Å; H2-E4 PolarHBondContact ND1-N 3.13Å; H2-E4 IonicContact ND1-OE2 2.82Å; H2-E4 PolarHBondContact O-N 3.42Å; H2-T5 WeakPolarHBondContact O-CB 3.45Å; H2-T5 PolarHBondContact O-N 2.87Å; H2-T5 VanDerWaalsContact O-N 3.07Å; H2-E6 PolarHBondContact O-N 3.48Å; H2-N113 HydrophobicContact CB-CB 4.04Å; H2-N113 PolarHBondContact ND1-ND2 3.1Å | ||
| 3 | A | 94.7 | Very high | 95.7 | Very high | 70 Ų | 70 | 42.2 Ų | 42.2 | 58% | 0.579 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -61.1 | -32.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E6 G7 | A3-E6 PolarHBondContact O-N 3.45Å; A3-G7 PolarHBondContact O-N 3.46Å |
| 4 | E | 93.6 | Very high | 95.7 | Very high | 111 Ų | 111 | 40.3 Ų | 40.3 | 52% | 0.519 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.4 | -46.6 | 174.6 | -67.2 | 177.6 | 165.7 | 0 | 0 | 111.5 | H2 E6 G7 D8 | H2-E4 VanDerWaalsContact C-N 3.26Å; H2-E4 IonicContact CE1-OE2 3.57Å; H2-E4 WeakPolarHBondContact ND1-CB 3.42Å; H2-E4 PolarHBondContact ND1-N 3.13Å; H2-E4 IonicContact ND1-OE2 2.82Å; H2-E4 PolarHBondContact O-N 3.42Å; E4-E6 VanDerWaalsContact C-N 3.33Å; E4-E6 PolarHBondContact O-N 2.89Å; E4-G7 CarbonylContact O-C 3.59Å; E4-G7 WeakPolarHBondContact O-CA 3.4Å; E4-G7 PolarHBondContact O-N 3.37Å; E4-G7 VanDerWaalsContact O-N 3.12Å; E4-D8 VanDerWaalsContact O-CG 3.28Å; E4-D8 PolarHBondContact O-N 2.72Å |
| 5 | T | 94.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.2 | -36.4 | -179.9 | -54 | 0 | 0 | 0 | 0 | 111.7 | Y1 H2 D8 V9 A110 N113 L118 | Y1-T5 HydrophobicContact CE2-CG2 4.11Å; H2-T5 WeakPolarHBondContact O-CB 3.45Å; H2-T5 PolarHBondContact O-N 2.87Å; H2-T5 VanDerWaalsContact O-N 3.07Å; T5-D8 PolarHBondContact O-N 3.31Å; T5-V9 WeakPolarHBondContact O-CG2 3.42Å; T5-V9 PolarHBondContact O-N 3.42Å; T5-A110 HydrophobicContact CG2-CB 4.45Å; T5-N113 PolarHBondContact OG1-ND2 3.24Å; T5-N113 VanDerWaalsContact OG1-ND2 3.12Å; T5-L118 HydrophobicContact CG2-CD2 2.95Å; T5-L118 HydrophobicContact CG2-CG 4.41Å |
| 6 | E | 96.8 | Very high | 95.7 | Very high | 48 Ų | 48 | 39 Ų | 39 | 22% | 0.224 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.5 | -47.1 | 169.1 | 179.3 | 177.8 | -174.6 | 0 | 0 | 111.9 | Y1 H2 A3 E4 D8 V9 N10 Q62 G67 R68 | Y1-E6 HydrophobicContact CD1-CB 4.17Å; Y1-E6 HydrophobicContact CE1-CB 3.53Å; Y1-E6 HydrophobicContact CE1-CG 3.85Å; Y1-E6 WeakPolarHBondContact OH-CA 3.34Å; H2-E6 PolarHBondContact O-N 3.48Å; A3-E6 PolarHBondContact O-N 3.45Å; E4-E6 VanDerWaalsContact C-N 3.33Å; E4-E6 PolarHBondContact O-N 2.89Å; E6-D8 VanDerWaalsContact C-N 3.31Å; E6-D8 PolarHBondContact O-N 3.39Å; E6-V9 PolarHBondContact O-N 3.16Å; E6-N10 PolarHBondContact O-N 2.97Å; E6-N10 VanDerWaalsContact O-N 3.12Å; E6-N10 PolarHBondContact O-ND2 3.36Å; E6-Q62 PolarHBondContact O-NE2 3.24Å; E6-G67 WeakPolarHBondContact OE1-CA 3.48Å; E6-R68 PolarHBondContact OE1-N 3.34Å |
| 7 | G | 97.1 | Very high | 95.8 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 30% | 0.299 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.2 | -37.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | A3 E4 N10 K11 | A3-G7 PolarHBondContact O-N 3.46Å; E4-G7 CarbonylContact O-C 3.59Å; E4-G7 WeakPolarHBondContact O-CA 3.4Å; E4-G7 PolarHBondContact O-N 3.37Å; E4-G7 VanDerWaalsContact O-N 3.12Å; G7-N10 PolarHBondContact O-N 3.09Å; G7-K11 WeakPolarHBondContact O-CG 3.31Å; G7-K11 PolarHBondContact O-N 3.44Å |
| 8 | D | 96.9 | Very high | 95.8 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.043 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69 | -40.2 | 177.2 | -71.4 | -43.8 | 0 | 0 | 0 | 113.3 | E4 T5 E6 N10 K11 L12 V106 R109 | E4-D8 VanDerWaalsContact O-CG 3.28Å; E4-D8 PolarHBondContact O-N 2.72Å; T5-D8 PolarHBondContact O-N 3.31Å; E6-D8 VanDerWaalsContact C-N 3.31Å; E6-D8 PolarHBondContact O-N 3.39Å; D8-N10 VanDerWaalsContact C-N 3.31Å; D8-N10 PolarHBondContact O-N 2.87Å; D8-K11 WeakPolarHBondContact O-CB 3.45Å; D8-K11 PolarHBondContact O-N 3.39Å; D8-K11 IonicContact OD1-NZ 3.97Å; D8-L12 WeakPolarHBondContact O-CB 3.39Å; D8-L12 PolarHBondContact O-N 2.83Å; D8-V106 HydrophobicContact CB-CG1 4.01Å; D8-V106 HydrophobicContact CB-CG2 3.88Å; D8-R109 VanDerWaalsContact CG-NE 3.34Å; D8-R109 IonicContact OD1-CZ 2.69Å; D8-R109 IonicContact OD1-NE 3.64Å; D8-R109 PolarHBondContact OD1-NE 3Å; D8-R109 IonicContact OD1-NH2 3.51Å; D8-R109 PolarHBondContact OD1-NH2 3.49Å; D8-R109 IonicContact OD2-CZ 2.67Å; D8-R109 IonicContact OD2-NE 3.9Å; D8-R109 PolarHBondContact OD2-NE 3.43Å; D8-R109 IonicContact OD2-NH2 3.33Å; D8-R109 PolarHBondContact OD2-NH2 3.48Å |
| 9 | V | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.1 | -42.2 | 173.6 | 170.9 | 0 | 0 | 0 | 0 | 110.2 | Y1 T5 E6 K11 L12 I13 L58 Q62 L118 | Y1-V9 WeakPolarHBondContact OH-CG2 3.49Å; T5-V9 WeakPolarHBondContact O-CG2 3.42Å; T5-V9 PolarHBondContact O-N 3.42Å; E6-V9 PolarHBondContact O-N 3.16Å; V9-K11 VanDerWaalsContact C-N 3.32Å; V9-K11 PolarHBondContact O-N 3.34Å; V9-L12 PolarHBondContact O-N 3.43Å; V9-I13 HydrophobicContact CG1-CD1 4.02Å; V9-I13 VanDerWaalsContact O-CG1 3.3Å; V9-I13 WeakPolarHBondContact O-CG1 3.48Å; V9-I13 PolarHBondContact O-N 3.24Å; V9-L58 HydrophobicContact CG1-CB 4.48Å; V9-L58 HydrophobicContact CG1-CD2 4.37Å; V9-Q62 HydrophobicContact CG1-CB 4.19Å; V9-L118 HydrophobicContact CG2-CD1 4.38Å; V9-L118 HydrophobicContact CG2-CD2 4.38Å |
| 10 | N | 97.6 | Very high | 95.9 | Very high | 11 Ų | 11 | 35 Ų | 35 | 6% | 0.059 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.3 | -38.9 | 173.9 | -78 | -35.3 | 0 | 0 | 0 | 112.9 | E6 G7 D8 N14 Q62 R68 I69 L70 | E6-N10 PolarHBondContact O-N 2.97Å; E6-N10 VanDerWaalsContact O-N 3.12Å; E6-N10 PolarHBondContact O-ND2 3.36Å; G7-N10 PolarHBondContact O-N 3.09Å; D8-N10 VanDerWaalsContact C-N 3.31Å; D8-N10 PolarHBondContact O-N 2.87Å; N10-N14 PolarHBondContact O-N 2.98Å; N10-N14 PolarHBondContact O-ND2 2.73Å; N10-Q62 VanDerWaalsContact CG-NE2 3.25Å; N10-Q62 PolarHBondContact ND2-NE2 3.35Å; N10-Q62 PolarHBondContact OD1-NE2 2.91Å; N10-R68 PolarHBondContact ND2-O 2.92Å; N10-R68 PolarHBondContact OD1-O 2.97Å; N10-I69 WeakPolarHBondContact OD1-CA 3.23Å; N10-L70 PolarHBondContact OD1-N 3.14Å; N10-L70 VanDerWaalsContact OD1-N 3.13Å |
| 11 | K | 96.8 | Very high | 95.9 | Very high | 109 Ų | 109 | 35.3 Ų | 35.3 | 47% | 0.474 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.9 | -43.3 | 173.6 | -70.3 | 170.4 | -170.8 | 167.3 | 0 | 111.7 | G7 D8 V9 I13 N14 L15 F102 | G7-K11 WeakPolarHBondContact O-CG 3.31Å; G7-K11 PolarHBondContact O-N 3.44Å; D8-K11 WeakPolarHBondContact O-CB 3.45Å; D8-K11 PolarHBondContact O-N 3.39Å; D8-K11 IonicContact OD1-NZ 3.97Å; V9-K11 VanDerWaalsContact C-N 3.32Å; V9-K11 PolarHBondContact O-N 3.34Å; K11-I13 VanDerWaalsContact C-N 3.32Å; K11-I13 PolarHBondContact O-N 3.22Å; K11-N14 PolarHBondContact O-N 3.04Å; K11-L15 WeakPolarHBondContact O-CG 3.4Å; K11-L15 PolarHBondContact O-N 3.02Å; K11-F102 HydrophobicContact CB-CE1 4.31Å; K11-F102 HydrophobicContact CB-CZ 3.68Å; K11-F102 HydrophobicContact CD-CZ 4.28Å |
| 12 | L | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.1 | -39.9 | 178.8 | -175.8 | 57.9 | 0 | 0 | 0 | 111.6 | D8 V9 N14 L15 K16 L58 F102 I103 L122 | D8-L12 WeakPolarHBondContact O-CB 3.39Å; D8-L12 PolarHBondContact O-N 2.83Å; V9-L12 PolarHBondContact O-N 3.43Å; L12-N14 VanDerWaalsContact C-N 3.35Å; L12-N14 PolarHBondContact O-N 3.32Å; L12-L15 PolarHBondContact O-N 3.29Å; L12-K16 HydrophobicContact CD1-CG 4.3Å; L12-K16 HydrophobicContact CG-CG 4.49Å; L12-K16 WeakPolarHBondContact O-CG 3.49Å; L12-K16 PolarHBondContact O-N 3.2Å; L12-L58 HydrophobicContact CB-CD1 4.18Å; L12-L58 HydrophobicContact CD2-CD1 3.71Å; L12-L58 HydrophobicContact CD2-CD2 3.89Å; L12-L58 HydrophobicContact CD2-CG 4.47Å; L12-L58 HydrophobicContact CG-CD1 3.53Å; L12-F102 HydrophobicContact CB-CD1 4.29Å; L12-F102 HydrophobicContact CB-CE1 3.89Å; L12-F102 HydrophobicContact CD1-CD1 3.85Å; L12-F102 HydrophobicContact CD1-CE1 4.33Å; L12-I103 HydrophobicContact CD1-CG1 3.89Å; L12-I103 HydrophobicContact CD2-CG1 4.24Å; L12-L122 HydrophobicContact CD2-CD2 4.28Å |
| 13 | I | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.1 | -50.7 | 172.8 | -71.4 | 159.6 | 0 | 0 | 0 | 110.5 | V9 K11 L15 K16 L17 L58 L59 L71 | V9-I13 HydrophobicContact CG1-CD1 4.02Å; V9-I13 VanDerWaalsContact O-CG1 3.3Å; V9-I13 WeakPolarHBondContact O-CG1 3.48Å; V9-I13 PolarHBondContact O-N 3.24Å; K11-I13 VanDerWaalsContact C-N 3.32Å; K11-I13 PolarHBondContact O-N 3.22Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 2.87Å; I13-K16 PolarHBondContact O-N 3.42Å; I13-L17 HydrophobicContact CG2-CD1 4.01Å; I13-L17 WeakPolarHBondContact O-CG 3.41Å; I13-L17 PolarHBondContact O-N 3.49Å; I13-L58 HydrophobicContact CD1-CB 4.1Å; I13-L58 HydrophobicContact CG1-CB 3.44Å; I13-L58 VanDerWaalsContact CG1-CB 3.44Å; I13-L58 HydrophobicContact CG1-CD1 4.21Å; I13-L58 HydrophobicContact CG1-CG 4.45Å; I13-L59 HydrophobicContact CD1-CD2 3.82Å; I13-L59 HydrophobicContact CD1-CG 4.1Å; I13-L59 HydrophobicContact CG1-CD2 4.44Å; I13-L59 HydrophobicContact CG1-CG 4.33Å; I13-L59 HydrophobicContact CG2-CD1 4.49Å; I13-L59 HydrophobicContact CG2-CD2 3.94Å; I13-L59 HydrophobicContact CG2-CG 4.05Å; I13-L71 HydrophobicContact CG2-CD2 3.8Å |
| 14 | N | 96.2 | Very high | 96.3 | Very high | 16 Ų | 16 | 28.3 Ų | 28.3 | 9% | 0.086 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 179.8 | -76.8 | -71.6 | 0 | 0 | 0 | 112.5 | N10 K11 L12 L17 N18 L70 Q72 | N10-N14 PolarHBondContact O-N 2.98Å; N10-N14 PolarHBondContact O-ND2 2.73Å; K11-N14 PolarHBondContact O-N 3.04Å; L12-N14 VanDerWaalsContact C-N 3.35Å; L12-N14 PolarHBondContact O-N 3.32Å; N14-L17 PolarHBondContact O-N 3.12Å; N14-N18 WeakPolarHBondContact O-CB 3.43Å; N14-N18 PolarHBondContact O-N 3.01Å; N14-L70 PolarHBondContact ND2-O 3.37Å; N14-Q72 PolarHBondContact ND2-N 2.95Å; N14-Q72 WeakPolarHBondContact OD1-CA 3.44Å; N14-Q72 WeakPolarHBondContact OD1-CB 3.45Å; N14-Q72 PolarHBondContact OD1-N 3.49Å; N14-Q72 PolarHBondContact OD1-O 2.87Å |
| 15 | L | 95.6 | Very high | 96.4 | Very high | 59 Ų | 59 | 24.5 Ų | 24.5 | 31% | 0.309 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -62.7 | -42.7 | 174.7 | -73.3 | 172.2 | 0 | 0 | 0 | 111.7 | K11 L12 I13 N18 A19 L99 F102 | K11-L15 WeakPolarHBondContact O-CG 3.4Å; K11-L15 PolarHBondContact O-N 3.02Å; L12-L15 PolarHBondContact O-N 3.29Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 2.87Å; L15-N18 PolarHBondContact O-N 3.44Å; L15-A19 WeakPolarHBondContact O-CB 3.39Å; L15-A19 PolarHBondContact O-N 3.04Å; L15-L99 HydrophobicContact CB-CD2 4Å; L15-F102 HydrophobicContact CD1-CB 4.24Å; L15-F102 HydrophobicContact CD1-CD1 3.68Å; L15-F102 HydrophobicContact CD1-CD2 3.62Å; L15-F102 HydrophobicContact CD1-CE1 3.86Å; L15-F102 HydrophobicContact CD1-CE2 3.8Å; L15-F102 HydrophobicContact CD1-CG 3.54Å; L15-F102 HydrophobicContact CD1-CZ 3.92Å |
| 16 | K | 96.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.1 | -39.5 | 177.5 | -71.3 | -71 | 172.4 | -178.2 | 0 | 112.5 | L12 I13 A19 S20 E51 Q54 A55 L58 | L12-K16 HydrophobicContact CD1-CG 4.3Å; L12-K16 HydrophobicContact CG-CG 4.49Å; L12-K16 WeakPolarHBondContact O-CG 3.49Å; L12-K16 PolarHBondContact O-N 3.2Å; I13-K16 PolarHBondContact O-N 3.42Å; K16-A19 PolarHBondContact O-N 3.36Å; K16-S20 WeakPolarHBondContact O-CB 3.4Å; K16-S20 PolarHBondContact O-N 2.87Å; K16-E51 WeakPolarHBondContact CD-OE2 3.45Å; K16-E51 WeakPolarHBondContact CE-OE2 3.3Å; K16-E51 IonicContact NZ-OE1 3.42Å; K16-E51 IonicContact NZ-OE2 3.85Å; K16-E51 PolarHBondContact NZ-OE2 2.69Å; K16-Q54 HydrophobicContact CD-CB 4.1Å; K16-A55 HydrophobicContact CB-CB 3.77Å; K16-L58 HydrophobicContact CG-CD1 4.14Å |
| 17 | L | 97 | Very high | 96.5 | Very high | 33 Ų | 33 | 22.2 Ų | 22.2 | 17% | 0.173 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.9 | -39.2 | 172.8 | -67.7 | 170.8 | 0 | 0 | 0 | 112.4 | I13 N14 S20 S21 A55 L71 I74 | I13-L17 HydrophobicContact CG2-CD1 4.01Å; I13-L17 WeakPolarHBondContact O-CG 3.41Å; I13-L17 PolarHBondContact O-N 3.49Å; N14-L17 PolarHBondContact O-N 3.12Å; L17-S20 PolarHBondContact O-N 3.4Å; L17-S21 PolarHBondContact O-N 2.97Å; L17-A55 HydrophobicContact CD2-CB 3.75Å; L17-A55 HydrophobicContact CG-CB 3.83Å; L17-L71 HydrophobicContact CD1-CD2 4.05Å; L17-I74 HydrophobicContact CB-CD1 3.75Å; L17-I74 HydrophobicContact CB-CG1 4.02Å; L17-I74 HydrophobicContact CD1-CD1 4.15Å; L17-I74 HydrophobicContact CG-CD1 4.43Å |
| 18 | N | 95.6 | Very high | 96.4 | Very high | 32 Ų | 32 | 24.9 Ų | 24.9 | 17% | 0.171 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.7 | -40.7 | 174.1 | 175.6 | -102.7 | 0 | 0 | 0 | 112.3 | N14 L15 S21 T22 I74 A75 | N14-N18 WeakPolarHBondContact O-CB 3.43Å; N14-N18 PolarHBondContact O-N 3.01Å; L15-N18 PolarHBondContact O-N 3.44Å; N18-S21 PolarHBondContact O-N 3.07Å; N18-T22 WeakPolarHBondContact O-CB 3.37Å; N18-T22 PolarHBondContact O-N 2.82Å; N18-T22 PolarHBondContact O-OG1 3.35Å; N18-I74 HydrophobicContact CB-CG2 4.18Å; N18-A75 PolarHBondContact ND2-O 3.3Å |
| 19 | A | 95.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.9 | -45.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | L15 K16 S21 T22 Y23 E51 L99 | L15-A19 WeakPolarHBondContact O-CB 3.39Å; L15-A19 PolarHBondContact O-N 3.04Å; K16-A19 PolarHBondContact O-N 3.36Å; A19-S21 PolarHBondContact O-N 3.25Å; A19-T22 WeakPolarHBondContact O-CB 3.36Å; A19-T22 PolarHBondContact O-N 3.45Å; A19-T22 VanDerWaalsContact O-N 3.11Å; A19-Y23 VanDerWaalsContact O-CD2 3.3Å; A19-Y23 WeakPolarHBondContact O-CD2 3.48Å; A19-Y23 PolarHBondContact O-N 3.12Å; A19-E51 HydrophobicContact CB-CB 4.31Å; A19-E51 HydrophobicContact CB-CG 4Å; A19-L99 HydrophobicContact CB-CD1 3.8Å |
| 20 | S | 97.1 | Very high | 96.3 | Very high | 11 Ų | 11 | 26 Ų | 26 | 8% | 0.077 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.3 | -47.6 | 173.8 | 177.9 | 0 | 0 | 0 | 0 | 112.1 | K16 L17 T22 Y23 L24 S48 | K16-S20 WeakPolarHBondContact O-CB 3.4Å; K16-S20 PolarHBondContact O-N 2.87Å; L17-S20 PolarHBondContact O-N 3.4Å; S20-T22 VanDerWaalsContact C-N 3.29Å; S20-T22 PolarHBondContact O-N 3.12Å; S20-Y23 PolarHBondContact O-N 3.47Å; S20-L24 WeakPolarHBondContact O-CB 3.35Å; S20-L24 PolarHBondContact O-N 3.3Å; S20-S48 WeakPolarHBondContact CB-O 3.41Å; S20-S48 WeakPolarHBondContact O-CB 3.44Å; S20-S48 PolarHBondContact O-OG 3.26Å; S20-S48 PolarHBondContact OG-O 3.09Å; S20-S48 PolarHBondContact OG-OG 3.16Å |
| 21 | S | 95.8 | Very high | 96.3 | Very high | 41 Ų | 41 | 30.3 Ų | 30.3 | 29% | 0.287 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.9 | -33.4 | 176.7 | -173.5 | 0 | 0 | 0 | 0 | 112.9 | L17 N18 A19 A25 | L17-S21 PolarHBondContact O-N 2.97Å; N18-S21 PolarHBondContact O-N 3.07Å; A19-S21 PolarHBondContact O-N 3.25Å; S21-A25 PolarHBondContact O-N 3.28Å; S21-A25 VanDerWaalsContact O-N 3.16Å |
| 22 | T | 95.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70.1 | -46.4 | 178.3 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | N18 A19 S20 L24 A25 L26 P77 F91 | N18-T22 WeakPolarHBondContact O-CB 3.37Å; N18-T22 PolarHBondContact O-N 2.82Å; N18-T22 PolarHBondContact O-OG1 3.35Å; A19-T22 WeakPolarHBondContact O-CB 3.36Å; A19-T22 PolarHBondContact O-N 3.45Å; A19-T22 VanDerWaalsContact O-N 3.11Å; S20-T22 VanDerWaalsContact C-N 3.29Å; S20-T22 PolarHBondContact O-N 3.12Å; T22-L24 VanDerWaalsContact C-N 3.3Å; T22-L24 PolarHBondContact O-N 3.44Å; T22-A25 PolarHBondContact O-N 2.85Å; T22-L26 PolarHBondContact O-N 2.66Å; T22-P77 HydrophobicContact CG2-CB 4.34Å; T22-F91 HydrophobicContact CG2-CE1 3.51Å; T22-F91 HydrophobicContact CG2-CZ 3.73Å |
| 23 | Y | 96.7 | Very high | 96.2 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.1 | -31.5 | 175.5 | -69.4 | -49.3 | 0 | 0 | 0 | 112.8 | A19 S20 L26 G27 F44 R47 E51 | A19-Y23 VanDerWaalsContact O-CD2 3.3Å; A19-Y23 WeakPolarHBondContact O-CD2 3.48Å; A19-Y23 PolarHBondContact O-N 3.12Å; S20-Y23 PolarHBondContact O-N 3.47Å; Y23-L26 HydrophobicContact CD1-CD1 3.89Å; Y23-L26 HydrophobicContact CE1-CD1 4.36Å; Y23-L26 PolarHBondContact O-N 3.25Å; Y23-G27 PolarHBondContact O-N 2.89Å; Y23-F44 WeakPolarHBondContact CB-O 3.35Å; Y23-F44 AromaticContact CD1-CD1 3.69Å; Y23-F44 HydrophobicContact CD1-CD1 3.69Å; Y23-F44 HydrophobicContact CD1-CE1 4.16Å; Y23-F44 HydrophobicContact CE1-CD1 4.21Å; Y23-F44 HydrophobicContact CE1-CE1 4.26Å; Y23-R47 HydrophobicContact CD1-CB 4.37Å; Y23-R47 HydrophobicContact CD2-CB 3.95Å; Y23-R47 HydrophobicContact CE2-CB 4.33Å; Y23-R47 HydrophobicContact CG-CB 3.97Å; Y23-E51 HydrophobicContact CD2-CG 3.68Å; Y23-E51 HydrophobicContact CE2-CG 3.68Å |
| 24 | L | 96.8 | Very high | 96 | Very high | 80 Ų | 80 | 42.9 Ų | 42.9 | 42% | 0.419 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.2 | -47.7 | 171.3 | 178.5 | 61.3 | 0 | 0 | 0 | 111 | S20 T22 L26 G27 M28 L45 | S20-L24 WeakPolarHBondContact O-CB 3.35Å; S20-L24 PolarHBondContact O-N 3.3Å; T22-L24 VanDerWaalsContact C-N 3.3Å; T22-L24 PolarHBondContact O-N 3.44Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 3.24Å; L24-G27 PolarHBondContact O-N 2.95Å; L24-M28 HydrophobicContact CD1-CG 4.46Å; L24-M28 WeakPolarHBondContact O-CG 3.42Å; L24-M28 PolarHBondContact O-N 3.02Å; L24-L45 HydrophobicContact CD1-CD2 3.65Å |
| 25 | A | 95.5 | Very high | 95.9 | Very high | 31 Ų | 31 | 43.6 Ų | 43.6 | 26% | 0.256 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.2 | -39.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S21 T22 M28 Y29 P77 W82 | S21-A25 PolarHBondContact O-N 3.28Å; S21-A25 VanDerWaalsContact O-N 3.16Å; T22-A25 PolarHBondContact O-N 2.85Å; A25-M28 PolarHBondContact O-N 3.41Å; A25-Y29 WeakPolarHBondContact O-CB 3.38Å; A25-Y29 PolarHBondContact O-N 3.31Å; A25-P77 HydrophobicContact CB-CG 3.95Å; A25-W82 HydrophobicContact CB-CH2 3.74Å; A25-W82 HydrophobicContact CB-CZ3 4.23Å |
| 26 | L | 95.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.8 | -46.6 | 172.7 | -85.4 | 166.1 | 0 | 0 | 0 | 112.2 | T22 Y23 L24 M28 Y29 F30 F44 W82 A88 F91 | T22-L26 PolarHBondContact O-N 2.66Å; Y23-L26 HydrophobicContact CD1-CD1 3.89Å; Y23-L26 HydrophobicContact CE1-CD1 4.36Å; Y23-L26 PolarHBondContact O-N 3.25Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 3.24Å; L26-M28 VanDerWaalsContact C-N 3.34Å; L26-M28 PolarHBondContact O-N 2.97Å; L26-Y29 WeakPolarHBondContact O-CB 3.36Å; L26-Y29 PolarHBondContact O-N 3.18Å; L26-Y29 VanDerWaalsContact O-N 3.15Å; L26-F30 HydrophobicContact CD2-CE2 4.29Å; L26-F30 WeakPolarHBondContact O-CD2 3.42Å; L26-F30 PolarHBondContact O-N 2.93Å; L26-F44 HydrophobicContact CB-CB 4.07Å; L26-F44 HydrophobicContact CB-CD1 4.16Å; L26-F44 HydrophobicContact CB-CD2 4.13Å; L26-F44 HydrophobicContact CB-CG 3.86Å; L26-F44 HydrophobicContact CD1-CD1 4.09Å; L26-F44 HydrophobicContact CD1-CE1 4.02Å; L26-F44 HydrophobicContact CD1-CZ 4.46Å; L26-W82 HydrophobicContact CD2-CB 4.42Å; L26-W82 HydrophobicContact CD2-CD2 3.5Å; L26-W82 VanDerWaalsContact CD2-CD2 3.5Å; L26-W82 VanDerWaalsContact CD2-CE2 3.46Å; L26-W82 HydrophobicContact CD2-CE3 4.11Å; L26-W82 HydrophobicContact CD2-CG 3.63Å; L26-W82 HydrophobicContact CD2-CZ2 4.03Å; L26-W82 HydrophobicContact CG-CD2 4.2Å; L26-W82 HydrophobicContact CG-CH2 4.28Å; L26-W82 HydrophobicContact CG-CZ2 3.8Å; L26-A88 HydrophobicContact CD2-CB 3.74Å; L26-F91 HydrophobicContact CD1-CD1 4.06Å; L26-F91 HydrophobicContact CD1-CE1 4.13Å |
| 27 | G | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.8 | -48.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y23 L24 Y29 F30 D31 S41 | Y23-G27 PolarHBondContact O-N 2.89Å; L24-G27 PolarHBondContact O-N 2.95Å; G27-Y29 VanDerWaalsContact C-N 3.3Å; G27-Y29 PolarHBondContact O-N 2.98Å; G27-F30 PolarHBondContact O-N 3.45Å; G27-D31 PolarHBondContact O-N 3.38Å; G27-S41 WeakPolarHBondContact O-CB 3.38Å; G27-S41 PolarHBondContact O-OG 3.22Å; G27-S41 VanDerWaalsContact O-OG 3.12Å |
| 28 | M | 96.1 | Very high | 95.9 | Very high | 86 Ų | 86 | 45.6 Ų | 45.6 | 42% | 0.424 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.5 | -29.2 | 177.4 | -61 | -63.6 | 84.7 | 0 | 0 | 113.3 | L24 A25 L26 D31 L45 | L24-M28 HydrophobicContact CD1-CG 4.46Å; L24-M28 WeakPolarHBondContact O-CG 3.42Å; L24-M28 PolarHBondContact O-N 3.02Å; A25-M28 PolarHBondContact O-N 3.41Å; L26-M28 VanDerWaalsContact C-N 3.34Å; L26-M28 PolarHBondContact O-N 2.97Å; M28-D31 HydrophobicContact CE-CB 4.46Å; M28-D31 PolarHBondContact O-N 3.09Å; M28-L45 HydrophobicContact CE-CD1 3.74Å; M28-L45 HydrophobicContact CE-CD2 3.62Å; M28-L45 HydrophobicContact CE-CG 4.13Å |
| 29 | Y | 95.5 | Very high | 96.1 | Very high | 32 Ų | 32 | 47.2 Ų | 47.2 | 13% | 0.125 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 172.8 | 164.3 | -92.5 | 0 | 0 | 0 | 111.6 | A25 L26 G27 D31 R32 V35 W82 G84 | A25-Y29 WeakPolarHBondContact O-CB 3.38Å; A25-Y29 PolarHBondContact O-N 3.31Å; L26-Y29 WeakPolarHBondContact O-CB 3.36Å; L26-Y29 PolarHBondContact O-N 3.18Å; L26-Y29 VanDerWaalsContact O-N 3.15Å; G27-Y29 VanDerWaalsContact C-N 3.3Å; G27-Y29 PolarHBondContact O-N 2.98Å; Y29-D31 VanDerWaalsContact C-N 3.29Å; Y29-D31 PolarHBondContact O-N 2.81Å; Y29-R32 WeakPolarHBondContact O-CB 3.42Å; Y29-R32 WeakPolarHBondContact O-CD 3.3Å; Y29-R32 WeakPolarHBondContact O-CG 3.44Å; Y29-R32 PolarHBondContact O-N 2.98Å; Y29-V35 HydrophobicContact CE1-CG1 4.11Å; Y29-V35 HydrophobicContact CE1-CG2 4.3Å; Y29-V35 HydrophobicContact CE2-CG2 4.03Å; Y29-W82 HydrophobicContact CD1-CB 4.35Å; Y29-W82 HydrophobicContact CD2-CE3 4.33Å; Y29-W82 HydrophobicContact CE1-CB 4.21Å; Y29-W82 HydrophobicContact CE2-CB 4.5Å; Y29-W82 WeakPolarHBondContact CE2-O 3.4Å; Y29-W82 HydrophobicContact CG-CE3 4.12Å; Y29-W82 VanDerWaalsContact CZ-O 3.32Å; Y29-W82 PolarHBondContact OH-O 2.84Å; Y29-W82 VanDerWaalsContact OH-O 3.13Å; Y29-G84 PolarHBondContact OH-N 3.29Å |
| 30 | F | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.7 | -20 | 179.7 | -74.7 | -71.2 | 0 | 0 | 0 | 114.1 | L26 G27 R32 V35 A36 L37 F40 F44 A88 | L26-F30 HydrophobicContact CD2-CE2 4.29Å; L26-F30 WeakPolarHBondContact O-CD2 3.42Å; L26-F30 PolarHBondContact O-N 2.93Å; G27-F30 PolarHBondContact O-N 3.45Å; F30-R32 VanDerWaalsContact C-N 3.33Å; F30-V35 HydrophobicContact CD1-CG1 3.72Å; F30-V35 HydrophobicContact CE1-CG1 4.33Å; F30-A36 PolarHBondContact O-N 2.91Å; F30-L37 HydrophobicContact CD1-CB 3.94Å; F30-L37 HydrophobicContact CD1-CD1 3.88Å; F30-L37 HydrophobicContact CD1-CG 4.44Å; F30-L37 HydrophobicContact CE1-CD1 3.96Å; F30-L37 PolarHBondContact O-N 3.44Å; F30-F40 HydrophobicContact CB-CB 3.96Å; F30-F40 HydrophobicContact CD1-CB 3.7Å; F30-F40 HydrophobicContact CD1-CG 4.15Å; F30-F40 HydrophobicContact CD2-CB 3.94Å; F30-F40 HydrophobicContact CE1-CB 4.15Å; F30-F40 HydrophobicContact CE1-CD1 4.22Å; F30-F40 HydrophobicContact CE1-CG 4.13Å; F30-F40 HydrophobicContact CE2-CB 4.42Å; F30-F40 HydrophobicContact CE2-CD1 4.31Å; F30-F40 HydrophobicContact CG-CB 3.58Å; F30-F40 HydrophobicContact CG-CG 4.42Å; F30-F40 HydrophobicContact CZ-CD1 4.08Å; F30-F40 HydrophobicContact CZ-CG 4.42Å; F30-F44 AromaticContact CD2-CD2 3.64Å; F30-F44 HydrophobicContact CD2-CD2 3.64Å; F30-F44 AromaticContact CD2-CE2 3.85Å; F30-F44 HydrophobicContact CD2-CE2 3.85Å; F30-F44 AromaticContact CE2-CD2 3.64Å; F30-F44 HydrophobicContact CE2-CD2 3.64Å; F30-F44 AromaticContact CE2-CE2 3.34Å; F30-F44 HydrophobicContact CE2-CE2 3.34Å; F30-F44 HydrophobicContact CE2-CZ 4.44Å; F30-F44 HydrophobicContact CZ-CE2 4.2Å; F30-A88 HydrophobicContact CE2-CB 3.58Å; F30-A88 HydrophobicContact CZ-CB 3.48Å; F30-A88 VanDerWaalsContact CZ-CB 3.48Å |
| 31 | D | 97.1 | Very high | 96.2 | Very high | 100 Ų | 100 | 47 Ų | 47 | 54% | 0.535 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -11.8 | 176 | -159.5 | 56 | 0 | 0 | 0 | 113.8 | G27 M28 Y29 | G27-D31 PolarHBondContact O-N 3.38Å; M28-D31 HydrophobicContact CE-CB 4.46Å; M28-D31 PolarHBondContact O-N 3.09Å; Y29-D31 VanDerWaalsContact C-N 3.29Å; Y29-D31 PolarHBondContact O-N 2.81Å |
| 32 | R | 96 | Very high | 96.3 | Very high | 112 Ų | 112 | 48.3 Ų | 48.3 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -59.6 | 147.7 | 178.3 | -70.5 | 166.4 | 52.4 | 169.7 | -1.6 | 111.6 | Y29 F30 D34 V35 A36 | Y29-R32 WeakPolarHBondContact O-CB 3.42Å; Y29-R32 WeakPolarHBondContact O-CD 3.3Å; Y29-R32 WeakPolarHBondContact O-CG 3.44Å; Y29-R32 PolarHBondContact O-N 2.98Å; F30-R32 VanDerWaalsContact C-N 3.33Å; R32-D34 VanDerWaalsContact CB-OD1 3.23Å; R32-D34 WeakPolarHBondContact CB-OD1 3.36Å; R32-D34 IonicContact CZ-OD1 2.66Å; R32-D34 IonicContact CZ-OD2 3.79Å; R32-D34 IonicContact NE-OD1 3.24Å; R32-D34 PolarHBondContact NE-OD1 3.18Å; R32-D34 IonicContact NE-OD2 3.09Å; R32-D34 VanDerWaalsContact NH2-CG 3.29Å; R32-D34 IonicContact NH2-OD1 3.24Å; R32-D34 PolarHBondContact NH2-OD1 3.45Å; R32-D34 VanDerWaalsContact NH2-OD1 3.11Å; R32-D34 IonicContact NH2-OD2 3.42Å; R32-D34 PolarHBondContact NH2-OD2 3.44Å; R32-D34 PolarHBondContact O-N 3.25Å; R32-V35 HydrophobicContact CB-CB 4.46Å; R32-V35 HydrophobicContact CB-CG2 4.28Å; R32-V35 PolarHBondContact O-N 2.9Å; R32-V35 VanDerWaalsContact O-N 3.1Å; R32-A36 PolarHBondContact O-N 2.85Å |
| 33 | D | 96.1 | Very high | 96.5 | Very high | 157 Ų | 157 | 48.8 Ų | 48.8 | 84% | 0.84 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -27.7 | 179.2 | 60.2 | -69.3 | 0 | 0 | 0 | 113.5 | ||
| 34 | D | 93.1 | Very high | 96.5 | Very high | 105 Ų | 105 | 48.7 Ų | 48.7 | 56% | 0.561 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -1.7 | 178.2 | 68.4 | -25.9 | 0 | 0 | 0 | 114.6 | R32 | R32-D34 VanDerWaalsContact CB-OD1 3.23Å; R32-D34 WeakPolarHBondContact CB-OD1 3.36Å; R32-D34 IonicContact CZ-OD1 2.66Å; R32-D34 IonicContact CZ-OD2 3.79Å; R32-D34 IonicContact NE-OD1 3.24Å; R32-D34 PolarHBondContact NE-OD1 3.18Å; R32-D34 IonicContact NE-OD2 3.09Å; R32-D34 VanDerWaalsContact NH2-CG 3.29Å; R32-D34 IonicContact NH2-OD1 3.24Å; R32-D34 PolarHBondContact NH2-OD1 3.45Å; R32-D34 VanDerWaalsContact NH2-OD1 3.11Å; R32-D34 IonicContact NH2-OD2 3.42Å; R32-D34 PolarHBondContact NH2-OD2 3.44Å; R32-D34 PolarHBondContact O-N 3.25Å |
| 35 | V | 94.5 | Very high | 96.6 | Very high | 32 Ų | 32 | 47 Ų | 47 | 19% | 0.194 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -51.3 | 173.7 | -176.5 | 0 | 0 | 0 | 0 | 110.8 | Y29 F30 R32 L37 | Y29-V35 HydrophobicContact CE1-CG1 4.11Å; Y29-V35 HydrophobicContact CE1-CG2 4.3Å; Y29-V35 HydrophobicContact CE2-CG2 4.03Å; F30-V35 HydrophobicContact CD1-CG1 3.72Å; F30-V35 HydrophobicContact CE1-CG1 4.33Å; R32-V35 HydrophobicContact CB-CB 4.46Å; R32-V35 HydrophobicContact CB-CG2 4.28Å; R32-V35 PolarHBondContact O-N 2.9Å; R32-V35 VanDerWaalsContact O-N 3.1Å; V35-L37 HydrophobicContact CG1-CD1 4.31Å; V35-L37 HydrophobicContact CG1-CG 4.38Å; V35-L37 PolarHBondContact O-N 3.44Å |
| 36 | A | 95.3 | Very high | 96.7 | Very high | 65 Ų | 65 | 50.6 Ų | 50.6 | 54% | 0.537 | 27% | 0.271 | S | S | . | . | trans | 53.1 | 48.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | F30 R32 P38 | F30-A36 PolarHBondContact O-N 2.91Å; R32-A36 PolarHBondContact O-N 2.85Å; A36-P38 WeakPolarHBondContact O-CD 3.08Å | ||
| 37 | L | 96.4 | Very high | 96.8 | Very high | 14 Ų | 14 | 51.4 Ų | 51.4 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | trans | -114.1 | 84.9 | 176 | -64.7 | 175 | 0 | 0 | 0 | 110.3 | F30 V35 H39 F40 S41 E158 D162 | F30-L37 HydrophobicContact CD1-CB 3.94Å; F30-L37 HydrophobicContact CD1-CD1 3.88Å; F30-L37 HydrophobicContact CD1-CG 4.44Å; F30-L37 HydrophobicContact CE1-CD1 3.96Å; F30-L37 PolarHBondContact O-N 3.44Å; V35-L37 HydrophobicContact CG1-CD1 4.31Å; V35-L37 HydrophobicContact CG1-CG 4.38Å; V35-L37 PolarHBondContact O-N 3.44Å; L37-H39 PolarHBondContact O-N 3.39Å; L37-F40 HydrophobicContact CB-CB 4Å; L37-F40 HydrophobicContact CB-CD2 3.98Å; L37-F40 HydrophobicContact CB-CG 4.4Å; L37-F40 HydrophobicContact CD1-CD2 3.96Å; L37-F40 HydrophobicContact CD1-CE2 4.33Å; L37-F40 HydrophobicContact CG-CD2 4.46Å; L37-F40 WeakPolarHBondContact O-CB 3.46Å; L37-F40 PolarHBondContact O-N 3.24Å; L37-S41 PolarHBondContact O-N 2.83Å; L37-E158 HydrophobicContact CD1-CB 4.31Å; L37-D162 VanDerWaalsContact C-OD1 3.24Å; L37-D162 HydrophobicContact CD2-CB 4Å | ||
| 38 | P | 97.1 | Very high | 96.9 | Very high | 56 Ų | 56 | 51.9 Ų | 51.9 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.5 | -29.3 | -167 | 26.7 | -35.7 | 0 | 0 | 0 | 114.4 | A36 S41 S42 | A36-P38 WeakPolarHBondContact O-CD 3.08Å; P38-S41 WeakPolarHBondContact O-CB 3.4Å; P38-S41 PolarHBondContact O-N 3.18Å; P38-S42 WeakPolarHBondContact O-CB 3.34Å; P38-S42 PolarHBondContact O-N 3.38Å |
| 39 | H | 98 | Very high | 97 | Very high | 66 Ų | 66 | 53.6 Ų | 53.6 | 31% | 0.306 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -79.5 | -32.6 | 178.2 | -58 | 87.5 | 0 | 0 | 0 | 111 | L37 S41 S42 F43 D162 R163 L166 | L37-H39 PolarHBondContact O-N 3.39Å; H39-S41 VanDerWaalsContact C-N 3.35Å; H39-S42 PolarHBondContact O-N 2.95Å; H39-F43 VanDerWaalsContact O-CB 3.23Å; H39-F43 WeakPolarHBondContact O-CB 3.4Å; H39-F43 PolarHBondContact O-N 2.94Å; H39-D162 WeakPolarHBondContact CA-OD1 3.42Å; H39-D162 WeakPolarHBondContact CB-O 3.45Å; H39-D162 WeakPolarHBondContact CB-OD1 3.32Å; H39-D162 IonicContact CE1-OD2 2.92Å; H39-D162 IonicContact CG-OD2 3.88Å; H39-D162 PolarHBondContact N-OD1 2.91Å; H39-D162 PolarHBondContact ND1-O 3.19Å; H39-D162 VanDerWaalsContact ND1-O 3.16Å; H39-D162 IonicContact ND1-OD1 3.55Å; H39-D162 IonicContact ND1-OD2 3.68Å; H39-D162 PolarHBondContact ND1-OD2 3.09Å; H39-R163 PolarHBondContact CE1-NH1 2.91Å; H39-L166 HydrophobicContact CB-CB 3.68Å |
| 40 | F | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 164.3 | -87.9 | -81.2 | 0 | 0 | 0 | 112.2 | F30 L37 F43 F44 L89 L144 F161 D162 L166 | F30-F40 HydrophobicContact CB-CB 3.96Å; F30-F40 HydrophobicContact CD1-CB 3.7Å; F30-F40 HydrophobicContact CD1-CG 4.15Å; F30-F40 HydrophobicContact CD2-CB 3.94Å; F30-F40 HydrophobicContact CE1-CB 4.15Å; F30-F40 HydrophobicContact CE1-CD1 4.22Å; F30-F40 HydrophobicContact CE1-CG 4.13Å; F30-F40 HydrophobicContact CE2-CB 4.42Å; F30-F40 HydrophobicContact CE2-CD1 4.31Å; F30-F40 HydrophobicContact CG-CB 3.58Å; F30-F40 HydrophobicContact CG-CG 4.42Å; F30-F40 HydrophobicContact CZ-CD1 4.08Å; F30-F40 HydrophobicContact CZ-CG 4.42Å; L37-F40 HydrophobicContact CB-CB 4Å; L37-F40 HydrophobicContact CB-CD2 3.98Å; L37-F40 HydrophobicContact CB-CG 4.4Å; L37-F40 HydrophobicContact CD1-CD2 3.96Å; L37-F40 HydrophobicContact CD1-CE2 4.33Å; L37-F40 HydrophobicContact CG-CD2 4.46Å; L37-F40 WeakPolarHBondContact O-CB 3.46Å; L37-F40 PolarHBondContact O-N 3.24Å; F40-F43 PolarHBondContact O-N 2.83Å; F40-F44 AromaticContact CD1-CE2 3.96Å; F40-F44 HydrophobicContact CD1-CE2 3.96Å; F40-F44 VanDerWaalsContact O-CD2 3.25Å; F40-F44 WeakPolarHBondContact O-CD2 3.49Å; F40-F44 PolarHBondContact O-N 3.24Å; F40-L89 HydrophobicContact CE1-CD1 3.99Å; F40-L89 HydrophobicContact CE1-CD2 4.5Å; F40-L89 HydrophobicContact CE1-CG 4.1Å; F40-L89 HydrophobicContact CZ-CD1 4.33Å; F40-L144 HydrophobicContact CZ-CD2 4.32Å; F40-F161 HydrophobicContact CE1-CD1 4.29Å; F40-F161 HydrophobicContact CE1-CE1 4.18Å; F40-F161 AromaticContact CE2-CD1 3.58Å; F40-F161 HydrophobicContact CE2-CD1 3.58Å; F40-F161 HydrophobicContact CE2-CE1 4.25Å; F40-F161 AromaticContact CZ-CD1 3.34Å; F40-F161 HydrophobicContact CZ-CD1 3.34Å; F40-F161 AromaticContact CZ-CE1 3.64Å; F40-F161 HydrophobicContact CZ-CE1 3.64Å; F40-F161 HydrophobicContact CZ-CG 4.42Å; F40-D162 HydrophobicContact CD2-CB 3.95Å; F40-D162 HydrophobicContact CE2-CB 4.22Å; F40-D162 PolarHBondContact N-OD1 2.88Å; F40-L166 HydrophobicContact CB-CD1 4.09Å; F40-L166 HydrophobicContact CD1-CD1 3.43Å; F40-L166 VanDerWaalsContact CD1-CD1 3.43Å; F40-L166 HydrophobicContact CD2-CD1 3.44Å; F40-L166 VanDerWaalsContact CD2-CD1 3.44Å; F40-L166 HydrophobicContact CE1-CD1 3.62Å; F40-L166 HydrophobicContact CE2-CD1 3.63Å; F40-L166 HydrophobicContact CG-CD1 3.35Å; F40-L166 HydrophobicContact CZ-CD1 3.72Å |
| 41 | S | 97.9 | Very high | 97.1 | Very high | 5 Ų | 5 | 54.9 Ų | 54.9 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.2 | -52.8 | 174.8 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | G27 L37 P38 H39 F43 F44 L45 | G27-S41 WeakPolarHBondContact O-CB 3.38Å; G27-S41 PolarHBondContact O-OG 3.22Å; G27-S41 VanDerWaalsContact O-OG 3.12Å; L37-S41 PolarHBondContact O-N 2.83Å; P38-S41 WeakPolarHBondContact O-CB 3.4Å; P38-S41 PolarHBondContact O-N 3.18Å; H39-S41 VanDerWaalsContact C-N 3.35Å; S41-F43 PolarHBondContact O-N 3.13Å; S41-F44 PolarHBondContact O-N 2.83Å; S41-L45 WeakPolarHBondContact O-CB 3.44Å; S41-L45 VanDerWaalsContact O-CG 3.25Å; S41-L45 WeakPolarHBondContact O-CG 3.44Å; S41-L45 PolarHBondContact O-N 2.9Å |
| 42 | S | 98.4 | Very high | 97.1 | Very high | 70 Ų | 70 | 56.1 Ų | 56.1 | 49% | 0.49 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.6 | -46.3 | 178.4 | -172.4 | 0 | 0 | 0 | 0 | 112.5 | P38 H39 F44 L45 E46 | P38-S42 WeakPolarHBondContact O-CB 3.34Å; P38-S42 PolarHBondContact O-N 3.38Å; H39-S42 PolarHBondContact O-N 2.95Å; S42-F44 PolarHBondContact O-N 2.85Å; S42-L45 PolarHBondContact O-N 2.76Å; S42-E46 WeakPolarHBondContact O-CB 3.02Å; S42-E46 PolarHBondContact O-N 3.2Å |
| 43 | F | 98.3 | Very high | 97.2 | Very high | 11 Ų | 11 | 56 Ų | 56 | 5% | 0.048 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.4 | -48.7 | 179.2 | 170.5 | -102 | 0 | 0 | 0 | 111.8 | H39 F40 S41 E46 R47 L89 L137 Y140 L166 | H39-F43 VanDerWaalsContact O-CB 3.23Å; H39-F43 WeakPolarHBondContact O-CB 3.4Å; H39-F43 PolarHBondContact O-N 2.94Å; F40-F43 PolarHBondContact O-N 2.83Å; S41-F43 PolarHBondContact O-N 3.13Å; F43-E46 PolarHBondContact O-N 2.99Å; F43-R47 HydrophobicContact CE1-CG 4.36Å; F43-R47 HydrophobicContact CE2-CG 4.36Å; F43-R47 HydrophobicContact CZ-CG 4.13Å; F43-R47 WeakPolarHBondContact O-CG 3.48Å; F43-R47 PolarHBondContact O-N 3.08Å; F43-L89 HydrophobicContact CE1-CD2 4.28Å; F43-L137 HydrophobicContact CE1-CD2 4.21Å; F43-L137 HydrophobicContact CZ-CD2 4Å; F43-Y140 HydrophobicContact CD2-CE2 4.44Å; F43-Y140 AromaticContact CE2-CE2 3.87Å; F43-Y140 HydrophobicContact CE2-CE2 3.87Å; F43-Y140 HydrophobicContact CZ-CD2 4.38Å; F43-Y140 HydrophobicContact CZ-CE2 4.08Å; F43-L166 HydrophobicContact CB-CD2 4.3Å; F43-L166 HydrophobicContact CD2-CD2 4.14Å; F43-L166 HydrophobicContact CG-CD2 4.06Å |
| 44 | F | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.3 | -31.8 | 179.5 | -74.6 | -60 | 0 | 0 | 0 | 113 | Y23 L26 F30 F40 S41 S42 E46 R47 S48 A88 L89 S92 | Y23-F44 WeakPolarHBondContact CB-O 3.35Å; Y23-F44 AromaticContact CD1-CD1 3.69Å; Y23-F44 HydrophobicContact CD1-CD1 3.69Å; Y23-F44 HydrophobicContact CD1-CE1 4.16Å; Y23-F44 HydrophobicContact CE1-CD1 4.21Å; Y23-F44 HydrophobicContact CE1-CE1 4.26Å; L26-F44 HydrophobicContact CB-CB 4.07Å; L26-F44 HydrophobicContact CB-CD1 4.16Å; L26-F44 HydrophobicContact CB-CD2 4.13Å; L26-F44 HydrophobicContact CB-CG 3.86Å; L26-F44 HydrophobicContact CD1-CD1 4.09Å; L26-F44 HydrophobicContact CD1-CE1 4.02Å; L26-F44 HydrophobicContact CD1-CZ 4.46Å; F30-F44 AromaticContact CD2-CD2 3.64Å; F30-F44 HydrophobicContact CD2-CD2 3.64Å; F30-F44 AromaticContact CD2-CE2 3.85Å; F30-F44 HydrophobicContact CD2-CE2 3.85Å; F30-F44 AromaticContact CE2-CD2 3.64Å; F30-F44 HydrophobicContact CE2-CD2 3.64Å; F30-F44 AromaticContact CE2-CE2 3.34Å; F30-F44 HydrophobicContact CE2-CE2 3.34Å; F30-F44 HydrophobicContact CE2-CZ 4.44Å; F30-F44 HydrophobicContact CZ-CE2 4.2Å; F40-F44 AromaticContact CD1-CE2 3.96Å; F40-F44 HydrophobicContact CD1-CE2 3.96Å; F40-F44 VanDerWaalsContact O-CD2 3.25Å; F40-F44 WeakPolarHBondContact O-CD2 3.49Å; F40-F44 PolarHBondContact O-N 3.24Å; S41-F44 PolarHBondContact O-N 2.83Å; S42-F44 PolarHBondContact O-N 2.85Å; F44-E46 VanDerWaalsContact C-N 3.34Å; F44-R47 PolarHBondContact O-N 3.23Å; F44-S48 WeakPolarHBondContact O-CB 3.43Å; F44-S48 PolarHBondContact O-N 2.96Å; F44-A88 HydrophobicContact CE2-CB 4.05Å; F44-A88 HydrophobicContact CZ-CB 4.01Å; F44-L89 HydrophobicContact CZ-CD2 4.35Å; F44-S92 WeakPolarHBondContact CE1-OG 3.35Å |
| 45 | L | 98.5 | Very high | 97.6 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 23% | 0.23 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.9 | -35.8 | 172.6 | -70.1 | 170.7 | 0 | 0 | 0 | 112.2 | L24 M28 S41 S42 S48 K49 | L24-L45 HydrophobicContact CD1-CD2 3.65Å; M28-L45 HydrophobicContact CE-CD1 3.74Å; M28-L45 HydrophobicContact CE-CD2 3.62Å; M28-L45 HydrophobicContact CE-CG 4.13Å; S41-L45 WeakPolarHBondContact O-CB 3.44Å; S41-L45 VanDerWaalsContact O-CG 3.25Å; S41-L45 WeakPolarHBondContact O-CG 3.44Å; S41-L45 PolarHBondContact O-N 2.9Å; S42-L45 PolarHBondContact O-N 2.76Å; L45-S48 WeakPolarHBondContact O-CB 3.48Å; L45-S48 PolarHBondContact O-N 3.1Å; L45-K49 WeakPolarHBondContact O-CG 3.46Å; L45-K49 PolarHBondContact O-N 3.45Å |
| 46 | E | 98.3 | Very high | 97.7 | Very high | 108 Ų | 108 | 47.2 Ų | 47.2 | 51% | 0.505 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.4 | -48.4 | 172.6 | -172.7 | 168.3 | -143 | 0 | 0 | 110.9 | S42 F43 F44 S48 K49 E50 | S42-E46 WeakPolarHBondContact O-CB 3.02Å; S42-E46 PolarHBondContact O-N 3.2Å; F43-E46 PolarHBondContact O-N 2.99Å; F44-E46 VanDerWaalsContact C-N 3.34Å; E46-S48 VanDerWaalsContact C-N 3.27Å; E46-S48 PolarHBondContact O-N 3.45Å; E46-K49 WeakPolarHBondContact O-CB 3.4Å; E46-K49 PolarHBondContact O-N 3.23Å; E46-E50 PolarHBondContact O-N 2.88Å |
| 47 | R | 97.4 | Very high | 97.9 | Very high | 16 Ų | 16 | 48 Ų | 48 | 6% | 0.06 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.1 | -40.8 | 172.9 | -71.1 | -53.8 | -53.8 | -178.3 | -2.2 | 112.7 | Y23 F43 F44 K49 E50 E51 D129 T133 | Y23-R47 HydrophobicContact CD1-CB 4.37Å; Y23-R47 HydrophobicContact CD2-CB 3.95Å; Y23-R47 HydrophobicContact CE2-CB 4.33Å; Y23-R47 HydrophobicContact CG-CB 3.97Å; F43-R47 HydrophobicContact CE1-CG 4.36Å; F43-R47 HydrophobicContact CE2-CG 4.36Å; F43-R47 HydrophobicContact CZ-CG 4.13Å; F43-R47 WeakPolarHBondContact O-CG 3.48Å; F43-R47 PolarHBondContact O-N 3.08Å; F44-R47 PolarHBondContact O-N 3.23Å; R47-K49 VanDerWaalsContact C-N 3.28Å; R47-K49 PolarHBondContact O-N 3.02Å; R47-E50 VanDerWaalsContact CD-OE2 3.25Å; R47-E50 WeakPolarHBondContact CD-OE2 3.45Å; R47-E50 IonicContact CZ-OE2 3.92Å; R47-E50 IonicContact NE-OE2 3.95Å; R47-E50 PolarHBondContact NE-OE2 3.28Å; R47-E50 IonicContact NH1-OE2 2.87Å; R47-E50 PolarHBondContact NH1-OE2 3.48Å; R47-E50 PolarHBondContact O-N 3.46Å; R47-E51 IonicContact CZ-OE1 2.76Å; R47-E51 IonicContact NH2-OE1 3.51Å; R47-E51 PolarHBondContact NH2-OE1 2.71Å; R47-E51 WeakPolarHBondContact O-CG 3.5Å; R47-E51 PolarHBondContact O-N 2.87Å; R47-D129 IonicContact NH1-OD1 3.94Å; R47-D129 IonicContact NH2-OD2 3.35Å; R47-T133 PolarHBondContact NH1-OG1 3.4Å; R47-T133 PolarHBondContact NH2-OG1 3.22Å |
| 48 | S | 98.1 | Very high | 98 | Very high | 10 Ų | 10 | 47.3 Ų | 47.3 | 7% | 0.07 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59 | -39.7 | 176.1 | 179.6 | 0 | 0 | 0 | 0 | 112.4 | S20 F44 L45 E46 R52 | S20-S48 WeakPolarHBondContact CB-O 3.41Å; S20-S48 WeakPolarHBondContact O-CB 3.44Å; S20-S48 PolarHBondContact O-OG 3.26Å; S20-S48 PolarHBondContact OG-O 3.09Å; S20-S48 PolarHBondContact OG-OG 3.16Å; F44-S48 WeakPolarHBondContact O-CB 3.43Å; F44-S48 PolarHBondContact O-N 2.96Å; L45-S48 WeakPolarHBondContact O-CB 3.48Å; L45-S48 PolarHBondContact O-N 3.1Å; E46-S48 VanDerWaalsContact C-N 3.27Å; E46-S48 PolarHBondContact O-N 3.45Å; S48-R52 PolarHBondContact O-N 3.02Å |
| 49 | K | 98.4 | Very high | 98 | Very high | 122 Ų | 122 | 46.3 Ų | 46.3 | 53% | 0.53 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.4 | -47.4 | 176.1 | -67.6 | 170.2 | -174.3 | 173.7 | 0 | 111.2 | L45 E46 R47 E51 R52 E53 | L45-K49 WeakPolarHBondContact O-CG 3.46Å; L45-K49 PolarHBondContact O-N 3.45Å; E46-K49 WeakPolarHBondContact O-CB 3.4Å; E46-K49 PolarHBondContact O-N 3.23Å; R47-K49 VanDerWaalsContact C-N 3.28Å; R47-K49 PolarHBondContact O-N 3.02Å; K49-E51 PolarHBondContact O-N 3.45Å; K49-R52 WeakPolarHBondContact O-CA 3.03Å; K49-R52 WeakPolarHBondContact O-CB 3.47Å; K49-R52 PolarHBondContact O-N 3.29Å; K49-E53 WeakPolarHBondContact O-CG 3.01Å; K49-E53 PolarHBondContact O-N 3.42Å |
| 50 | E | 97.1 | Very high | 98 | Very high | 60 Ų | 60 | 49.4 Ų | 49.4 | 28% | 0.28 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.1 | -44.6 | 179.2 | -69.3 | 176.3 | 165.9 | 0 | 0 | 112.1 | E46 R47 R52 E53 Q54 | E46-E50 PolarHBondContact O-N 2.88Å; R47-E50 VanDerWaalsContact CD-OE2 3.25Å; R47-E50 WeakPolarHBondContact CD-OE2 3.45Å; R47-E50 IonicContact CZ-OE2 3.92Å; R47-E50 IonicContact NE-OE2 3.95Å; R47-E50 PolarHBondContact NE-OE2 3.28Å; R47-E50 IonicContact NH1-OE2 2.87Å; R47-E50 PolarHBondContact NH1-OE2 3.48Å; R47-E50 PolarHBondContact O-N 3.46Å; E50-R52 VanDerWaalsContact C-N 3.27Å; E50-R52 PolarHBondContact O-N 3.42Å; E50-E53 PolarHBondContact O-N 3.39Å; E50-Q54 WeakPolarHBondContact O-CB 2.96Å; E50-Q54 WeakPolarHBondContact O-CG 3.09Å; E50-Q54 PolarHBondContact O-N 3.3Å |
| 51 | E | 97.4 | Very high | 98 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -33.3 | 176.7 | -65 | -57 | 148.8 | 0 | 0 | 112.3 | K16 A19 Y23 R47 K49 Q54 A55 | K16-E51 WeakPolarHBondContact CD-OE2 3.45Å; K16-E51 WeakPolarHBondContact CE-OE2 3.3Å; K16-E51 IonicContact NZ-OE1 3.42Å; K16-E51 IonicContact NZ-OE2 3.85Å; K16-E51 PolarHBondContact NZ-OE2 2.69Å; A19-E51 HydrophobicContact CB-CB 4.31Å; A19-E51 HydrophobicContact CB-CG 4Å; Y23-E51 HydrophobicContact CD2-CG 3.68Å; Y23-E51 HydrophobicContact CE2-CG 3.68Å; R47-E51 IonicContact CZ-OE1 2.76Å; R47-E51 IonicContact NH2-OE1 3.51Å; R47-E51 PolarHBondContact NH2-OE1 2.71Å; R47-E51 WeakPolarHBondContact O-CG 3.5Å; R47-E51 PolarHBondContact O-N 2.87Å; K49-E51 PolarHBondContact O-N 3.45Å; E51-Q54 PolarHBondContact O-N 2.94Å; E51-A55 PolarHBondContact O-N 3.28Å |
| 52 | R | 98.2 | Very high | 98.1 | Very high | 126 Ų | 126 | 49.6 Ų | 49.6 | 48% | 0.475 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -71 | -43.1 | 175.6 | -179.9 | 162.4 | 57.4 | 155.3 | 0.4 | 111.7 | S48 K49 E50 Q54 A55 E56 | S48-R52 PolarHBondContact O-N 3.02Å; K49-R52 WeakPolarHBondContact O-CA 3.03Å; K49-R52 WeakPolarHBondContact O-CB 3.47Å; K49-R52 PolarHBondContact O-N 3.29Å; E50-R52 VanDerWaalsContact C-N 3.27Å; E50-R52 PolarHBondContact O-N 3.42Å; R52-Q54 VanDerWaalsContact C-N 3.26Å; R52-Q54 PolarHBondContact O-N 3.28Å; R52-A55 WeakPolarHBondContact O-CB 3.37Å; R52-A55 PolarHBondContact O-N 3.01Å; R52-A55 VanDerWaalsContact O-N 3.09Å; R52-E56 WeakPolarHBondContact O-CG 3.34Å; R52-E56 PolarHBondContact O-N 3.36Å |
| 53 | E | 98.2 | Very high | 98 | Very high | 109 Ų | 109 | 50.7 Ų | 50.7 | 51% | 0.509 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.1 | -39 | 173.7 | -71 | 176 | -171.7 | 0 | 0 | 111.1 | K49 E50 A55 E56 K57 | K49-E53 WeakPolarHBondContact O-CG 3.01Å; K49-E53 PolarHBondContact O-N 3.42Å; E50-E53 PolarHBondContact O-N 3.39Å; E53-A55 PolarHBondContact O-N 2.89Å; E53-E56 PolarHBondContact O-N 3.05Å; E53-K57 WeakPolarHBondContact O-CG 3.22Å; E53-K57 PolarHBondContact O-N 3.04Å |
| 54 | Q | 97.6 | Very high | 98 | Very high | 13 Ų | 13 | 55.4 Ų | 55.4 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 172.9 | -78.3 | -171.5 | 12.9 | 0 | 0 | 113 | K16 E50 E51 R52 L58 F126 D129 | K16-Q54 HydrophobicContact CD-CB 4.1Å; E50-Q54 WeakPolarHBondContact O-CB 2.96Å; E50-Q54 WeakPolarHBondContact O-CG 3.09Å; E50-Q54 PolarHBondContact O-N 3.3Å; E51-Q54 PolarHBondContact O-N 2.94Å; R52-Q54 VanDerWaalsContact C-N 3.26Å; R52-Q54 PolarHBondContact O-N 3.28Å; Q54-L58 WeakPolarHBondContact O-CG 3.48Å; Q54-L58 PolarHBondContact O-N 2.89Å; Q54-F126 HydrophobicContact CB-CD1 4.44Å; Q54-F126 HydrophobicContact CB-CE1 3.85Å; Q54-F126 HydrophobicContact CG-CD1 4.33Å; Q54-F126 HydrophobicContact CG-CE1 4.06Å; Q54-D129 VanDerWaalsContact NE2-CG 3.3Å; Q54-D129 PolarHBondContact NE2-OD2 3.26Å |
| 55 | A | 98 | Very high | 98 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64 | -41.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K16 L17 E51 R52 E53 L58 L59 | K16-A55 HydrophobicContact CB-CB 3.77Å; L17-A55 HydrophobicContact CD2-CB 3.75Å; L17-A55 HydrophobicContact CG-CB 3.83Å; E51-A55 PolarHBondContact O-N 3.28Å; R52-A55 WeakPolarHBondContact O-CB 3.37Å; R52-A55 PolarHBondContact O-N 3.01Å; R52-A55 VanDerWaalsContact O-N 3.09Å; E53-A55 PolarHBondContact O-N 2.89Å; A55-L58 PolarHBondContact O-N 3.09Å; A55-L59 WeakPolarHBondContact O-CG 3.44Å; A55-L59 PolarHBondContact O-N 3.4Å |
| 56 | E | 98.3 | Very high | 97.9 | Very high | 97 Ų | 97 | 58.4 Ų | 58.4 | 45% | 0.453 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 176.9 | -70.8 | 171.2 | -172.8 | 0 | 0 | 111.7 | R52 E53 L58 L59 E60 | R52-E56 WeakPolarHBondContact O-CG 3.34Å; R52-E56 PolarHBondContact O-N 3.36Å; E53-E56 PolarHBondContact O-N 3.05Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 PolarHBondContact O-N 3.49Å; E56-L59 WeakPolarHBondContact O-CB 3.44Å; E56-L59 PolarHBondContact O-N 2.93Å; E56-L59 VanDerWaalsContact O-N 3.09Å; E56-E60 PolarHBondContact O-N 3.01Å |
| 57 | K | 98.2 | Very high | 97.9 | Very high | 80 Ų | 80 | 53.3 Ų | 53.3 | 35% | 0.348 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -54.3 | -43.8 | 172.5 | -76.3 | -177.2 | 179.5 | -171.9 | 0 | 112.2 | E53 E60 Y61 Y121 E125 F126 | E53-K57 WeakPolarHBondContact O-CG 3.22Å; E53-K57 PolarHBondContact O-N 3.04Å; K57-E60 PolarHBondContact O-N 3.11Å; K57-Y61 WeakPolarHBondContact O-CB 3.39Å; K57-Y61 PolarHBondContact O-N 2.91Å; K57-Y121 VanDerWaalsContact C-OH 3.25Å; K57-Y121 WeakPolarHBondContact CB-OH 3.22Å; K57-Y121 PolarHBondContact O-OH 3.5Å; K57-E125 IonicContact NZ-OE2 3.39Å; K57-E125 PolarHBondContact NZ-OE2 2.92Å; K57-F126 HydrophobicContact CB-CZ 4.35Å |
| 58 | L | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.4 | -36.8 | 177.4 | -70.9 | 164.1 | 0 | 0 | 0 | 112.9 | V9 L12 I13 K16 Q54 A55 E56 Y61 Q62 Y121 F126 | V9-L58 HydrophobicContact CG1-CB 4.48Å; V9-L58 HydrophobicContact CG1-CD2 4.37Å; L12-L58 HydrophobicContact CB-CD1 4.18Å; L12-L58 HydrophobicContact CD2-CD1 3.71Å; L12-L58 HydrophobicContact CD2-CD2 3.89Å; L12-L58 HydrophobicContact CD2-CG 4.47Å; L12-L58 HydrophobicContact CG-CD1 3.53Å; I13-L58 HydrophobicContact CD1-CB 4.1Å; I13-L58 HydrophobicContact CG1-CB 3.44Å; I13-L58 VanDerWaalsContact CG1-CB 3.44Å; I13-L58 HydrophobicContact CG1-CD1 4.21Å; I13-L58 HydrophobicContact CG1-CG 4.45Å; K16-L58 HydrophobicContact CG-CD1 4.14Å; Q54-L58 WeakPolarHBondContact O-CG 3.48Å; Q54-L58 PolarHBondContact O-N 2.89Å; A55-L58 PolarHBondContact O-N 3.09Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 PolarHBondContact O-N 3.49Å; L58-Y61 PolarHBondContact O-N 2.9Å; L58-Q62 VanDerWaalsContact O-CB 3.31Å; L58-Q62 WeakPolarHBondContact O-CB 3.25Å; L58-Q62 PolarHBondContact O-N 3.26Å; L58-Y121 HydrophobicContact CD2-CE1 4.17Å; L58-F126 HydrophobicContact CD1-CE1 3.91Å; L58-F126 HydrophobicContact CD1-CZ 4.14Å; L58-F126 HydrophobicContact CD2-CE1 4.15Å; L58-F126 HydrophobicContact CD2-CE2 4.03Å; L58-F126 HydrophobicContact CD2-CZ 3.62Å; L58-F126 HydrophobicContact CG-CE1 3.82Å; L58-F126 HydrophobicContact CG-CE2 4.41Å; L58-F126 HydrophobicContact CG-CZ 3.52Å |
| 59 | L | 98.3 | Very high | 97.9 | Very high | 36 Ų | 36 | 62.8 Ų | 62.8 | 19% | 0.188 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 174.7 | -72 | 164.5 | 0 | 0 | 0 | 110.9 | I13 A55 E56 Q62 N63 I69 L71 | I13-L59 HydrophobicContact CD1-CD2 3.82Å; I13-L59 HydrophobicContact CD1-CG 4.1Å; I13-L59 HydrophobicContact CG1-CD2 4.44Å; I13-L59 HydrophobicContact CG1-CG 4.33Å; I13-L59 HydrophobicContact CG2-CD1 4.49Å; I13-L59 HydrophobicContact CG2-CD2 3.94Å; I13-L59 HydrophobicContact CG2-CG 4.05Å; A55-L59 WeakPolarHBondContact O-CG 3.44Å; A55-L59 PolarHBondContact O-N 3.4Å; E56-L59 WeakPolarHBondContact O-CB 3.44Å; E56-L59 PolarHBondContact O-N 2.93Å; E56-L59 VanDerWaalsContact O-N 3.09Å; L59-Q62 PolarHBondContact O-N 2.91Å; L59-N63 PolarHBondContact O-N 2.88Å; L59-N63 VanDerWaalsContact O-N 3.16Å; L59-N63 PolarHBondContact O-ND2 3.2Å; L59-I69 HydrophobicContact CB-CD1 4.2Å; L59-I69 HydrophobicContact CD2-CB 4.25Å; L59-I69 HydrophobicContact CD2-CD1 3.67Å; L59-I69 HydrophobicContact CD2-CG1 3.83Å; L59-I69 HydrophobicContact CD2-CG2 3.39Å; L59-L71 HydrophobicContact CD2-CD2 4.1Å |
| 60 | E | 98.3 | Very high | 97.7 | Very high | 131 Ų | 131 | 62.5 Ų | 62.5 | 61% | 0.612 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63 | -42.6 | 175.2 | -69.2 | -179.1 | 179 | 0 | 0 | 111.8 | E56 K57 N63 T64 | E56-E60 PolarHBondContact O-N 3.01Å; K57-E60 PolarHBondContact O-N 3.11Å; E60-N63 PolarHBondContact O-N 3.45Å; E60-T64 WeakPolarHBondContact O-CB 3.48Å; E60-T64 PolarHBondContact O-N 3.45Å; E60-T64 PolarHBondContact O-OG1 3Å |
| 61 | Y | 98.1 | Very high | 97.5 | Very high | 9 Ų | 9 | 64.9 Ų | 64.9 | 4% | 0.035 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.9 | -46 | 176.6 | -173.8 | -90 | 0 | 0 | 0 | 112.1 | K57 L58 N63 T64 R65 H117 L118 Y121 | K57-Y61 WeakPolarHBondContact O-CB 3.39Å; K57-Y61 PolarHBondContact O-N 2.91Å; L58-Y61 PolarHBondContact O-N 2.9Å; Y61-N63 VanDerWaalsContact C-N 3.29Å; Y61-N63 PolarHBondContact O-N 3.19Å; Y61-T64 WeakPolarHBondContact O-CB 3.4Å; Y61-T64 PolarHBondContact O-N 3.34Å; Y61-T64 VanDerWaalsContact O-N 3.09Å; Y61-R65 HydrophobicContact CD1-CG 3.89Å; Y61-R65 HydrophobicContact CE1-CG 3.38Å; Y61-R65 HydrophobicContact CE2-CG 4.39Å; Y61-R65 WeakPolarHBondContact O-CG 3.45Å; Y61-R65 PolarHBondContact O-N 3.47Å; Y61-R65 PolarHBondContact OH-NH1 3.35Å; Y61-H117 AromaticContact CE2-CE1 3.54Å; Y61-H117 AromaticContact CE2-ND1 3.59Å; Y61-H117 AromaticContact CZ-ND1 3.61Å; Y61-H117 VanDerWaalsContact OH-C 3.29Å; Y61-H117 PolarHBondContact OH-ND1 2.92Å; Y61-H117 PolarHBondContact OH-O 2.71Å; Y61-H117 VanDerWaalsContact OH-O 3.09Å; Y61-L118 HydrophobicContact CD1-CD1 4.33Å; Y61-L118 HydrophobicContact CE1-CD1 3.56Å; Y61-L118 WeakPolarHBondContact OH-CA 3.42Å; Y61-L118 WeakPolarHBondContact OH-CB 3.43Å; Y61-L118 PolarHBondContact OH-N 2.95Å; Y61-Y121 HydrophobicContact CD1-CD1 4.17Å; Y61-Y121 HydrophobicContact CD1-CE1 4.14Å; Y61-Y121 AromaticContact CD2-CD1 3.4Å; Y61-Y121 HydrophobicContact CD2-CD1 3.4Å; Y61-Y121 VanDerWaalsContact CD2-CD1 3.4Å; Y61-Y121 AromaticContact CD2-CD2 3.5Å; Y61-Y121 HydrophobicContact CD2-CD2 3.5Å; Y61-Y121 VanDerWaalsContact CD2-CD2 3.5Å; Y61-Y121 AromaticContact CD2-CE1 3.43Å; Y61-Y121 HydrophobicContact CD2-CE1 3.43Å; Y61-Y121 VanDerWaalsContact CD2-CE1 3.43Å; Y61-Y121 AromaticContact CD2-CE2 3.54Å; Y61-Y121 HydrophobicContact CD2-CE2 3.54Å; Y61-Y121 AromaticContact CD2-CG 3.43Å; Y61-Y121 HydrophobicContact CD2-CG 3.43Å; Y61-Y121 VanDerWaalsContact CD2-CG 3.43Å; Y61-Y121 AromaticContact CD2-CZ 3.51Å; Y61-Y121 HydrophobicContact CE1-CD1 4.28Å; Y61-Y121 AromaticContact CE2-CD1 3.48Å; Y61-Y121 HydrophobicContact CE2-CD1 3.48Å; Y61-Y121 VanDerWaalsContact CE2-CD1 3.48Å; Y61-Y121 AromaticContact CE2-CD2 3.62Å; Y61-Y121 HydrophobicContact CE2-CD2 3.62Å; Y61-Y121 HydrophobicContact CE2-CE1 4.03Å; Y61-Y121 HydrophobicContact CE2-CE2 4.17Å; Y61-Y121 AromaticContact CE2-CG 3.24Å; Y61-Y121 HydrophobicContact CE2-CG 3.24Å; Y61-Y121 AromaticContact CG-CD1 3.74Å; Y61-Y121 HydrophobicContact CG-CD1 3.74Å; Y61-Y121 HydrophobicContact CG-CD2 4.49Å; Y61-Y121 AromaticContact CG-CE1 3.47Å; Y61-Y121 HydrophobicContact CG-CE1 3.47Å; Y61-Y121 VanDerWaalsContact CG-CE1 3.47Å; Y61-Y121 HydrophobicContact CG-CE2 4.27Å; Y61-Y121 HydrophobicContact CG-CG 4.24Å; Y61-Y121 AromaticContact CG-CZ 3.77Å; Y61-Y121 AromaticContact CZ-CD1 3.92Å; Y61-Y121 AromaticContact CZ-CG 3.98Å |
| 62 | Q | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -54.3 | -47.5 | 176.7 | -176.7 | 71.6 | -67.9 | 0 | 0 | 110.8 | Y1 E6 V9 N10 L58 L59 R65 G66 G67 I69 | Y1-Q62 VanDerWaalsContact CZ-OE1 3.28Å; Y1-Q62 PolarHBondContact OH-OE1 2.98Å; E6-Q62 PolarHBondContact O-NE2 3.24Å; V9-Q62 HydrophobicContact CG1-CB 4.19Å; N10-Q62 VanDerWaalsContact CG-NE2 3.25Å; N10-Q62 PolarHBondContact ND2-NE2 3.35Å; N10-Q62 PolarHBondContact OD1-NE2 2.91Å; L58-Q62 VanDerWaalsContact O-CB 3.31Å; L58-Q62 WeakPolarHBondContact O-CB 3.25Å; L58-Q62 PolarHBondContact O-N 3.26Å; L59-Q62 PolarHBondContact O-N 2.91Å; Q62-R65 PolarHBondContact O-N 3.33Å; Q62-G66 PolarHBondContact O-N 3.35Å; Q62-G67 WeakPolarHBondContact O-CA 3.46Å; Q62-G67 PolarHBondContact O-N 3.34Å; Q62-I69 HydrophobicContact CB-CG1 4.21Å; Q62-I69 HydrophobicContact CG-CG1 3.84Å |
| 63 | N | 98 | Very high | 97.1 | Very high | 93 Ų | 93 | 71.7 Ų | 71.7 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 175.9 | -74.4 | -28.5 | 0 | 0 | 0 | 112.5 | L59 E60 Y61 R65 G66 I69 | L59-N63 PolarHBondContact O-N 2.88Å; L59-N63 VanDerWaalsContact O-N 3.16Å; L59-N63 PolarHBondContact O-ND2 3.2Å; E60-N63 PolarHBondContact O-N 3.45Å; Y61-N63 VanDerWaalsContact C-N 3.29Å; Y61-N63 PolarHBondContact O-N 3.19Å; N63-R65 VanDerWaalsContact C-N 3.27Å; N63-R65 PolarHBondContact O-N 3.07Å; N63-G66 PolarHBondContact O-N 3.14Å; N63-I69 VanDerWaalsContact ND2-CD1 3.34Å; N63-I69 WeakPolarHBondContact ND2-CD1 3.42Å; N63-I69 WeakPolarHBondContact OD1-CD1 3.42Å |
| 64 | T | 97.8 | Very high | 96.8 | Very high | 109 Ų | 109 | 70.3 Ų | 70.3 | 67% | 0.669 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.2 | -37 | 178.8 | -61.3 | 0 | 0 | 0 | 0 | 112 | E60 Y61 G66 | E60-T64 WeakPolarHBondContact O-CB 3.48Å; E60-T64 PolarHBondContact O-N 3.45Å; E60-T64 PolarHBondContact O-OG1 3Å; Y61-T64 WeakPolarHBondContact O-CB 3.4Å; Y61-T64 PolarHBondContact O-N 3.34Å; Y61-T64 VanDerWaalsContact O-N 3.09Å; T64-G66 PolarHBondContact O-N 3.44Å |
| 65 | R | 97.6 | Very high | 96.3 | Very high | 57 Ų | 57 | 72.6 Ų | 72.6 | 22% | 0.215 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -2.6 | 176.7 | -60.7 | -57 | -60.5 | -78.1 | -0.3 | 113.7 | Y1 Y61 Q62 N63 G67 D115 | Y1-R65 HydrophobicContact CD1-CB 3.89Å; Y1-R65 HydrophobicContact CD2-CB 3.99Å; Y1-R65 HydrophobicContact CD2-CG 4.24Å; Y1-R65 HydrophobicContact CE1-CB 4.02Å; Y1-R65 HydrophobicContact CE2-CB 4.14Å; Y1-R65 HydrophobicContact CE2-CG 4.21Å; Y1-R65 HydrophobicContact CG-CB 3.88Å; Y61-R65 HydrophobicContact CD1-CG 3.89Å; Y61-R65 HydrophobicContact CE1-CG 3.38Å; Y61-R65 HydrophobicContact CE2-CG 4.39Å; Y61-R65 WeakPolarHBondContact O-CG 3.45Å; Y61-R65 PolarHBondContact O-N 3.47Å; Y61-R65 PolarHBondContact OH-NH1 3.35Å; Q62-R65 PolarHBondContact O-N 3.33Å; N63-R65 VanDerWaalsContact C-N 3.27Å; N63-R65 PolarHBondContact O-N 3.07Å; R65-G67 VanDerWaalsContact C-N 3.33Å; R65-D115 IonicContact CZ-OD1 3.45Å; R65-D115 IonicContact CZ-OD2 3.49Å; R65-D115 IonicContact NH1-OD1 2.86Å; R65-D115 PolarHBondContact NH1-OD1 3.48Å; R65-D115 IonicContact NH1-OD2 2.82Å; R65-D115 PolarHBondContact NH1-OD2 3.37Å; R65-D115 VanDerWaalsContact NH2-CG 3.25Å; R65-D115 IonicContact NH2-OD1 2.72Å; R65-D115 PolarHBondContact NH2-OD1 3.04Å; R65-D115 IonicContact NH2-OD2 3.11Å; R65-D115 PolarHBondContact NH2-OD2 3.31Å |
| 66 | G | 97.1 | Very high | 95.8 | Very high | 50 Ų | 50 | 79.5 Ų | 79.5 | 52% | 0.515 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 9.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q62 N63 T64 R68 | Q62-G66 PolarHBondContact O-N 3.35Å; N63-G66 PolarHBondContact O-N 3.14Å; T64-G66 PolarHBondContact O-N 3.44Å; G66-R68 PolarHBondContact O-NH1 3.18Å |
| 67 | G | 97.2 | Very high | 95 | Very high | 2 Ų | 2 | 75.5 Ų | 75.5 | 2% | 0.021 | 40% | 0.395 | C | S | . | . | trans | -70.7 | -179.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E6 Q62 R65 | E6-G67 WeakPolarHBondContact OE1-CA 3.48Å; Q62-G67 WeakPolarHBondContact O-CA 3.46Å; Q62-G67 PolarHBondContact O-N 3.34Å; R65-G67 VanDerWaalsContact C-N 3.33Å | ||
| 68 | R | 97.8 | Very high | 94 | Very high | 168 Ų | 168 | 77.2 Ų | 77.2 | 63% | 0.634 | 42% | 0.417 | S | S | * | . | trans | -121.5 | 125.4 | 178.1 | -64 | -65.9 | 174.1 | -107.2 | 3.7 | 110.2 | E6 N10 G66 L70 | E6-R68 PolarHBondContact OE1-N 3.34Å; N10-R68 PolarHBondContact ND2-O 2.92Å; N10-R68 PolarHBondContact OD1-O 2.97Å; G66-R68 PolarHBondContact O-NH1 3.18Å; R68-L70 PolarHBondContact O-N 3.18Å | ||
| 69 | I | 97.4 | Very high | 93 | Very high | 57 Ų | 57 | 80.1 Ų | 80.1 | 29% | 0.292 | 43% | 0.428 | S | S | . | . | trans | -73 | 126.8 | 177.2 | -65.6 | 164.7 | 0 | 0 | 0 | 109 | N10 L59 Q62 N63 L71 | N10-I69 WeakPolarHBondContact OD1-CA 3.23Å; L59-I69 HydrophobicContact CB-CD1 4.2Å; L59-I69 HydrophobicContact CD2-CB 4.25Å; L59-I69 HydrophobicContact CD2-CD1 3.67Å; L59-I69 HydrophobicContact CD2-CG1 3.83Å; L59-I69 HydrophobicContact CD2-CG2 3.39Å; Q62-I69 HydrophobicContact CB-CG1 4.21Å; Q62-I69 HydrophobicContact CG-CG1 3.84Å; N63-I69 VanDerWaalsContact ND2-CD1 3.34Å; N63-I69 WeakPolarHBondContact ND2-CD1 3.42Å; N63-I69 WeakPolarHBondContact OD1-CD1 3.42Å; I69-L71 HydrophobicContact CG2-CD2 4.23Å; I69-L71 HydrophobicContact CG2-CG 3.92Å | ||
| 70 | L | 95.3 | Very high | 92 | Very high | 116 Ų | 116 | 84 Ų | 84 | 61% | 0.607 | 45% | 0.445 | S | S | * | . | trans | -125 | 89.9 | 172.5 | -63.6 | 176.6 | 0 | 0 | 0 | 109.2 | N10 N14 R68 | N10-L70 PolarHBondContact OD1-N 3.14Å; N10-L70 VanDerWaalsContact OD1-N 3.13Å; N14-L70 PolarHBondContact ND2-O 3.37Å; R68-L70 PolarHBondContact O-N 3.18Å | ||
| 71 | L | 92.9 | Very high | 91.2 | Very high | 110 Ų | 110 | 82 Ų | 82 | 58% | 0.576 | 44% | 0.439 | S | S | * | . | trans | -71.1 | 136.7 | 173.5 | -65.7 | 177.2 | 0 | 0 | 0 | 110 | I13 L17 L59 I69 | I13-L71 HydrophobicContact CG2-CD2 3.8Å; L17-L71 HydrophobicContact CD1-CD2 4.05Å; L59-L71 HydrophobicContact CD2-CD2 4.1Å; I69-L71 HydrophobicContact CG2-CD2 4.23Å; I69-L71 HydrophobicContact CG2-CG 3.92Å | ||
| 72 | Q | 93 | Very high | 90.7 | Very high | 133 Ų | 133 | 82.3 Ų | 82.3 | 62% | 0.621 | 44% | 0.44 | S | S | * | . | trans | -114.1 | 172.3 | 177.6 | -60.7 | -173.7 | -37.6 | 0 | 0 | 109.8 | N14 I74 | N14-Q72 PolarHBondContact ND2-N 2.95Å; N14-Q72 WeakPolarHBondContact OD1-CA 3.44Å; N14-Q72 WeakPolarHBondContact OD1-CB 3.45Å; N14-Q72 PolarHBondContact OD1-N 3.49Å; N14-Q72 PolarHBondContact OD1-O 2.87Å; Q72-I74 PolarHBondContact O-N 3.5Å | ||
| 73 | T | 93.9 | Very high | 90.2 | Very high | 136 Ų | 136 | 91.5 Ų | 91.5 | 83% | 0.834 | 48% | 0.475 | S | S | * | . | trans | -60.3 | 124.3 | 173.8 | -53.3 | 0 | 0 | 0 | 0 | 110 | A75 | T73-A75 PolarHBondContact O-N 3.38Š| ||
| 74 | I | 92.9 | Very high | 89.9 | Confident | 79 Ų | 79 | 87.5 Ų | 87.5 | 41% | 0.405 | 46% | 0.456 | S | S | . | . | trans | -78.1 | 110.3 | 170.9 | -57.2 | 164.2 | 0 | 0 | 0 | 106.9 | L17 N18 Q72 | L17-I74 HydrophobicContact CB-CD1 3.75Å; L17-I74 HydrophobicContact CB-CG1 4.02Å; L17-I74 HydrophobicContact CD1-CD1 4.15Å; L17-I74 HydrophobicContact CG-CD1 4.43Å; N18-I74 HydrophobicContact CB-CG2 4.18Å; Q72-I74 PolarHBondContact O-N 3.5Å | ||
| 75 | A | 86.3 | Confident | 89.6 | Confident | 62 Ų | 62 | 82.3 Ų | 82.3 | 51% | 0.512 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 147.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110 | N18 T73 | N18-A75 PolarHBondContact ND2-O 3.3Å; T73-A75 PolarHBondContact O-N 3.38Å |
| 76 | K | 86.3 | Confident | 89.5 | Confident | 145 Ų | 145 | 82.2 Ų | 82.2 | 63% | 0.63 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 156.4 | 169 | 69.6 | 171.8 | -161.5 | 145.1 | 0 | 110.3 | S78 E80 | K76-S78 PolarHBondContact O-N 3.39Å; K76-E80 IonicContact NZ-OE1 2.83Å; K76-E80 PolarHBondContact NZ-OE1 2.69Å |
| 77 | P | 83.4 | Confident | 89.4 | Confident | 13 Ų | 13 | 81.7 Ų | 81.7 | 8% | 0.084 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -51.6 | 136.6 | 174.4 | -26.3 | 36.4 | 0 | 0 | 0 | 110.7 | T22 A25 R79 | T22-P77 HydrophobicContact CG2-CB 4.34Å; A25-P77 HydrophobicContact CB-CG 3.95Å; P77-R79 PolarHBondContact O-N 2.92Å |
| 78 | S | 75.7 | Confident | 89.3 | Confident | 116 Ų | 116 | 81.6 Ų | 81.6 | 81% | 0.811 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -67.3 | -17.9 | -177.9 | 54.2 | 0 | 0 | 0 | 0 | 113 | K76 | K76-S78 PolarHBondContact O-N 3.39Š|
| 79 | R | 78.8 | Confident | 89.3 | Confident | 60 Ų | 60 | 73.6 Ų | 73.6 | 23% | 0.226 | 38% | 0.381 | C | S | . | . | trans | -134.3 | 138.3 | -176.5 | -164.8 | 175.1 | 179.4 | -160.5 | -13.6 | 109.7 | P77 D81 W82 D87 F91 | P77-R79 PolarHBondContact O-N 2.92Å; R79-D81 WeakPolarHBondContact CG-OD1 3.2Å; R79-D81 IonicContact CZ-OD1 2.95Å; R79-D81 IonicContact NE-OD1 3Å; R79-D81 PolarHBondContact NE-OD1 2.67Å; R79-D81 PolarHBondContact NH2-O 3.45Å; R79-D81 IonicContact NH2-OD1 3.78Å; R79-W82 WeakPolarHBondContact O-CH2 3.39Å; R79-W82 WeakPolarHBondContact O-CZ2 3.48Å; R79-D87 IonicContact CZ-OD1 2.67Å; R79-D87 IonicContact CZ-OD2 3.65Å; R79-D87 VanDerWaalsContact CZ-OD2 3.24Å; R79-D87 IonicContact NH1-OD1 3.38Å; R79-D87 PolarHBondContact NH1-OD1 2.91Å; R79-D87 IonicContact NH1-OD2 3.17Å; R79-D87 PolarHBondContact NH1-OD2 3.43Å; R79-D87 IonicContact NH2-OD1 3.97Å; R79-D87 PolarHBondContact NH2-OD1 3.2Å; R79-D87 IonicContact NH2-OD2 2.72Å; R79-D87 PolarHBondContact NH2-OD2 3.42Å; R79-F91 HydrophobicContact CB-CE2 4.28Å | ||
| 80 | E | 76 | Confident | 89.2 | Confident | 117 Ų | 117 | 73.4 Ų | 73.4 | 55% | 0.547 | 38% | 0.383 | S | S | . | . | trans | -130.7 | -3.6 | 177.2 | -66.4 | 172.9 | -156.6 | 0 | 0 | 111.5 | K76 | K76-E80 IonicContact NZ-OE1 2.83Å; K76-E80 PolarHBondContact NZ-OE1 2.69Å | ||
| 81 | D | 82.3 | Confident | 89.3 | Confident | 90 Ų | 90 | 69.4 Ų | 69.4 | 48% | 0.481 | 36% | 0.361 | S | S | . | . | trans | -106.1 | 50.1 | -174.9 | 72 | -32.8 | 0 | 0 | 0 | 112.3 | R79 | R79-D81 WeakPolarHBondContact CG-OD1 3.2Å; R79-D81 IonicContact CZ-OD1 2.95Å; R79-D81 IonicContact NE-OD1 3Å; R79-D81 PolarHBondContact NE-OD1 2.67Å; R79-D81 PolarHBondContact NH2-O 3.45Å; R79-D81 IonicContact NH2-OD1 3.78Å | ||
| 82 | W | 87.6 | Confident | 89.4 | Confident | 15 Ų | 15 | 64.2 Ų | 64.2 | 6% | 0.057 | 33% | 0.333 | C | S | . | . | trans | -65.8 | 142.3 | 174.6 | -56.4 | -76.9 | 0 | 0 | 0 | 111.1 | A25 L26 Y29 R79 D87 F91 | A25-W82 HydrophobicContact CB-CH2 3.74Å; A25-W82 HydrophobicContact CB-CZ3 4.23Å; L26-W82 HydrophobicContact CD2-CB 4.42Å; L26-W82 HydrophobicContact CD2-CD2 3.5Å; L26-W82 VanDerWaalsContact CD2-CD2 3.5Å; L26-W82 VanDerWaalsContact CD2-CE2 3.46Å; L26-W82 HydrophobicContact CD2-CE3 4.11Å; L26-W82 HydrophobicContact CD2-CG 3.63Å; L26-W82 HydrophobicContact CD2-CZ2 4.03Å; L26-W82 HydrophobicContact CG-CD2 4.2Å; L26-W82 HydrophobicContact CG-CH2 4.28Å; L26-W82 HydrophobicContact CG-CZ2 3.8Å; Y29-W82 HydrophobicContact CD1-CB 4.35Å; Y29-W82 HydrophobicContact CD2-CE3 4.33Å; Y29-W82 HydrophobicContact CE1-CB 4.21Å; Y29-W82 HydrophobicContact CE2-CB 4.5Å; Y29-W82 WeakPolarHBondContact CE2-O 3.4Å; Y29-W82 HydrophobicContact CG-CE3 4.12Å; Y29-W82 VanDerWaalsContact CZ-O 3.32Å; Y29-W82 PolarHBondContact OH-O 2.84Å; Y29-W82 VanDerWaalsContact OH-O 3.13Å; R79-W82 WeakPolarHBondContact O-CH2 3.39Å; R79-W82 WeakPolarHBondContact O-CZ2 3.48Å; W82-D87 WeakPolarHBondContact CA-OD2 3.5Å; W82-F91 AromaticContact NE1-CD1 3.74Å; W82-F91 AromaticContact NE1-CG 3.97Å | ||
| 83 | R | 87.8 | Confident | 89.6 | Confident | 193 Ų | 193 | 58.8 Ų | 58.8 | 73% | 0.728 | 31% | 0.309 | S | S | * | . | trans | -121.1 | 80.6 | -176.6 | -58.7 | -175.1 | -173.5 | -163.7 | 1.4 | 110 | D87 | R83-D87 HydrophobicContact CB-CB 4.33Å; R83-D87 PolarHBondContact N-OD2 3.19Å; R83-D87 VanDerWaalsContact O-CB 3.25Å; R83-D87 WeakPolarHBondContact O-CB 3.49Å | ||
| 84 | G | 90.3 | Very high | 89.7 | Confident | 10 Ų | 10 | 56.7 Ų | 56.7 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | 76.1 | -173.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y29 A88 | Y29-G84 PolarHBondContact OH-N 3.29Å; G84-A88 WeakPolarHBondContact O-CB 3.41Å; G84-A88 PolarHBondContact O-N 2.87Å |
| 85 | G | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.2 | -42.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D87 A88 L89 E158 | G85-D87 PolarHBondContact O-N 3.22Å; G85-A88 PolarHBondContact O-N 2.94Å; G85-L89 WeakPolarHBondContact O-CB 3.43Å; G85-L89 VanDerWaalsContact O-CG 3.29Å; G85-L89 WeakPolarHBondContact O-CG 3.38Å; G85-L89 PolarHBondContact O-N 2.82Å; G85-E158 PolarHBondContact N-OE1 3.11Å |
| 86 | L | 94.6 | Very high | 90.3 | Very high | 54 Ų | 54 | 51.6 Ų | 51.6 | 28% | 0.283 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.6 | -41.5 | -175.5 | -174 | 62.8 | 0 | 0 | 0 | 112.1 | T90 I141 L144 | L86-T90 WeakPolarHBondContact O-CB 3.42Å; L86-T90 PolarHBondContact O-N 3.44Å; L86-T90 PolarHBondContact O-OG1 3.44Å; L86-I141 HydrophobicContact CD1-CG2 4.03Å; L86-L144 HydrophobicContact CB-CD2 3.88Å; L86-L144 HydrophobicContact CB-CG 4.42Å; L86-L144 HydrophobicContact CD1-CB 4.37Å; L86-L144 HydrophobicContact CD1-CD2 4.3Å; L86-L144 HydrophobicContact CD1-CG 4.38Å |
| 87 | D | 94.8 | Very high | 90.8 | Very high | 39 Ų | 39 | 49.1 Ų | 49.1 | 21% | 0.209 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.4 | -44 | 176.9 | -178.2 | 42.2 | 0 | 0 | 0 | 111.3 | R79 W82 R83 G85 L89 T90 F91 | R79-D87 IonicContact CZ-OD1 2.67Å; R79-D87 IonicContact CZ-OD2 3.65Å; R79-D87 VanDerWaalsContact CZ-OD2 3.24Å; R79-D87 IonicContact NH1-OD1 3.38Å; R79-D87 PolarHBondContact NH1-OD1 2.91Å; R79-D87 IonicContact NH1-OD2 3.17Å; R79-D87 PolarHBondContact NH1-OD2 3.43Å; R79-D87 IonicContact NH2-OD1 3.97Å; R79-D87 PolarHBondContact NH2-OD1 3.2Å; R79-D87 IonicContact NH2-OD2 2.72Å; R79-D87 PolarHBondContact NH2-OD2 3.42Å; W82-D87 WeakPolarHBondContact CA-OD2 3.5Å; R83-D87 HydrophobicContact CB-CB 4.33Å; R83-D87 PolarHBondContact N-OD2 3.19Å; R83-D87 VanDerWaalsContact O-CB 3.25Å; R83-D87 WeakPolarHBondContact O-CB 3.49Å; G85-D87 PolarHBondContact O-N 3.22Å; D87-L89 PolarHBondContact O-N 3.18Å; D87-T90 PolarHBondContact O-N 3.38Å; D87-F91 WeakPolarHBondContact O-CB 3.36Å; D87-F91 PolarHBondContact O-N 3.15Å |
| 88 | A | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L26 F30 F44 G84 G85 S92 | L26-A88 HydrophobicContact CD2-CB 3.74Å; F30-A88 HydrophobicContact CE2-CB 3.58Å; F30-A88 HydrophobicContact CZ-CB 3.48Å; F30-A88 VanDerWaalsContact CZ-CB 3.48Å; F44-A88 HydrophobicContact CE2-CB 4.05Å; F44-A88 HydrophobicContact CZ-CB 4.01Å; G84-A88 WeakPolarHBondContact O-CB 3.41Å; G84-A88 PolarHBondContact O-N 2.87Å; G85-A88 PolarHBondContact O-N 2.94Å; A88-S92 WeakPolarHBondContact O-CB 3.49Å; A88-S92 PolarHBondContact O-N 3.37Å; A88-S92 PolarHBondContact O-OG 3.31Å |
| 89 | L | 97.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.6 | -41 | 177.3 | -72.4 | 169.2 | 0 | 0 | 0 | 111.8 | F40 F43 F44 G85 D87 S92 L93 L137 Y140 I141 L144 F161 | F40-L89 HydrophobicContact CE1-CD1 3.99Å; F40-L89 HydrophobicContact CE1-CD2 4.5Å; F40-L89 HydrophobicContact CE1-CG 4.1Å; F40-L89 HydrophobicContact CZ-CD1 4.33Å; F43-L89 HydrophobicContact CE1-CD2 4.28Å; F44-L89 HydrophobicContact CZ-CD2 4.35Å; G85-L89 WeakPolarHBondContact O-CB 3.43Å; G85-L89 VanDerWaalsContact O-CG 3.29Å; G85-L89 WeakPolarHBondContact O-CG 3.38Å; G85-L89 PolarHBondContact O-N 2.82Å; D87-L89 PolarHBondContact O-N 3.18Å; L89-S92 PolarHBondContact O-N 3Å; L89-L93 WeakPolarHBondContact O-CB 3.4Å; L89-L93 PolarHBondContact O-N 3.42Å; L89-L137 HydrophobicContact CD2-CD2 3.78Å; L89-Y140 HydrophobicContact CD2-CD2 4.12Å; L89-I141 HydrophobicContact CB-CD1 4.42Å; L89-I141 HydrophobicContact CB-CG1 3.73Å; L89-L144 HydrophobicContact CD1-CD2 4.03Å; L89-F161 HydrophobicContact CD1-CE1 4.21Å; L89-F161 HydrophobicContact CD1-CZ 4.34Å |
| 90 | T | 96.6 | Very high | 93.2 | Very high | 53 Ų | 53 | 44.9 Ų | 44.9 | 33% | 0.325 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.4 | -48.3 | 177.4 | -56.8 | 0 | 0 | 0 | 0 | 111 | L86 D87 S92 L93 D94 | L86-T90 WeakPolarHBondContact O-CB 3.42Å; L86-T90 PolarHBondContact O-N 3.44Å; L86-T90 PolarHBondContact O-OG1 3.44Å; D87-T90 PolarHBondContact O-N 3.38Å; T90-S92 VanDerWaalsContact C-N 3.29Å; T90-S92 PolarHBondContact O-N 3.27Å; T90-L93 PolarHBondContact O-N 2.98Å; T90-D94 PolarHBondContact O-N 2.86Å; T90-D94 VanDerWaalsContact O-N 3.11Å |
| 91 | F | 95.6 | Very high | 94.2 | Very high | 33 Ų | 33 | 43 Ų | 43 | 15% | 0.145 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.9 | -45.5 | 173.5 | 169 | -94.1 | 0 | 0 | 0 | 111.7 | T22 L26 R79 W82 D87 L93 D94 H95 | T22-F91 HydrophobicContact CG2-CE1 3.51Å; T22-F91 HydrophobicContact CG2-CZ 3.73Å; L26-F91 HydrophobicContact CD1-CD1 4.06Å; L26-F91 HydrophobicContact CD1-CE1 4.13Å; R79-F91 HydrophobicContact CB-CE2 4.28Å; W82-F91 AromaticContact NE1-CD1 3.74Å; W82-F91 AromaticContact NE1-CG 3.97Å; D87-F91 WeakPolarHBondContact O-CB 3.36Å; D87-F91 PolarHBondContact O-N 3.15Å; F91-L93 PolarHBondContact O-N 3.4Å; F91-D94 PolarHBondContact O-N 2.87Å; F91-H95 WeakPolarHBondContact O-CB 3.38Å; F91-H95 PolarHBondContact O-N 3.37Å |
| 92 | S | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65 | -38.8 | -179.4 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | F44 A88 L89 T90 H95 Q96 | F44-S92 WeakPolarHBondContact CE1-OG 3.35Å; A88-S92 WeakPolarHBondContact O-CB 3.49Å; A88-S92 PolarHBondContact O-N 3.37Å; A88-S92 PolarHBondContact O-OG 3.31Å; L89-S92 PolarHBondContact O-N 3Å; T90-S92 VanDerWaalsContact C-N 3.29Å; T90-S92 PolarHBondContact O-N 3.27Å; S92-H95 PolarHBondContact O-N 2.98Å; S92-Q96 WeakPolarHBondContact O-CB 3.34Å; S92-Q96 PolarHBondContact O-N 3.49Å |
| 93 | L | 97.6 | Very high | 95.4 | Very high | 20 Ų | 20 | 40.1 Ų | 40.1 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.7 | -46.1 | 176.2 | 176.4 | 60.6 | 0 | 0 | 0 | 111.5 | L89 T90 F91 H95 Q96 K97 I134 L137 I141 | L89-L93 WeakPolarHBondContact O-CB 3.4Å; L89-L93 PolarHBondContact O-N 3.42Å; T90-L93 PolarHBondContact O-N 2.98Å; F91-L93 PolarHBondContact O-N 3.4Å; L93-H95 VanDerWaalsContact C-N 3.35Å; L93-Q96 PolarHBondContact O-N 3.49Å; L93-K97 HydrophobicContact CD1-CD 4.49Å; L93-K97 HydrophobicContact CD1-CG 4.49Å; L93-K97 HydrophobicContact CG-CD 4.41Å; L93-K97 WeakPolarHBondContact O-CG 3.43Å; L93-K97 PolarHBondContact O-N 2.72Å; L93-I134 HydrophobicContact CD1-CB 4.35Å; L93-I134 HydrophobicContact CD1-CG2 3.88Å; L93-I134 WeakPolarHBondContact CD1-O 3.35Å; L93-L137 HydrophobicContact CB-CB 4.16Å; L93-L137 HydrophobicContact CB-CD1 4.47Å; L93-L137 HydrophobicContact CD1-CB 4.07Å; L93-I141 HydrophobicContact CB-CD1 3.89Å; L93-I141 HydrophobicContact CD2-CD1 3.56Å; L93-I141 HydrophobicContact CG-CD1 4.36Å |
| 94 | D | 96.1 | Very high | 95.9 | Very high | 92 Ų | 92 | 34 Ų | 34 | 49% | 0.492 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67.7 | -38.3 | 179 | -70.9 | -21.5 | 0 | 0 | 0 | 111.5 | T90 F91 K97 S98 | T90-D94 PolarHBondContact O-N 2.86Å; T90-D94 VanDerWaalsContact O-N 3.11Å; F91-D94 PolarHBondContact O-N 2.87Å; D94-K97 PolarHBondContact O-N 3.34Å; D94-S98 PolarHBondContact O-N 2.75Å |
| 95 | H | 94.3 | Very high | 96.3 | Very high | 34 Ų | 34 | 35.7 Ų | 35.7 | 16% | 0.157 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.2 | -47.2 | 173.6 | -165.1 | 67.3 | 0 | 0 | 0 | 111.5 | F91 S92 L93 K97 S98 L99 | F91-H95 WeakPolarHBondContact O-CB 3.38Å; F91-H95 PolarHBondContact O-N 3.37Å; S92-H95 PolarHBondContact O-N 2.98Å; L93-H95 VanDerWaalsContact C-N 3.35Å; H95-K97 PolarHBondContact O-N 3.13Å; H95-S98 WeakPolarHBondContact O-CB 3.34Å; H95-S98 PolarHBondContact O-N 3.03Å; H95-L99 WeakPolarHBondContact O-CG 3.47Å; H95-L99 PolarHBondContact O-N 2.66Å |
| 96 | Q | 96.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.3 | -40.1 | 178 | -168.7 | 65.6 | 20.8 | 0 | 0 | 112.4 | S92 L93 S98 L99 N100 T133 I134 L137 | S92-Q96 WeakPolarHBondContact O-CB 3.34Å; S92-Q96 PolarHBondContact O-N 3.49Å; L93-Q96 PolarHBondContact O-N 3.49Å; Q96-S98 VanDerWaalsContact C-N 3.33Å; Q96-S98 PolarHBondContact O-N 2.89Å; Q96-L99 PolarHBondContact O-N 3.24Å; Q96-N100 WeakPolarHBondContact O-CB 3.22Å; Q96-N100 PolarHBondContact O-N 2.69Å; Q96-T133 HydrophobicContact CG-CG2 3.88Å; Q96-I134 HydrophobicContact CB-CG1 4.11Å; Q96-I134 HydrophobicContact CG-CD1 4.28Å; Q96-I134 HydrophobicContact CG-CG1 3.6Å; Q96-L137 HydrophobicContact CB-CD1 4.29Å |
| 97 | K | 97.6 | Very high | 96.7 | Very high | 92 Ų | 92 | 35 Ų | 35 | 40% | 0.4 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 174.1 | -75.2 | 171.8 | -177.9 | 167.5 | 0 | 111.7 | L93 D94 H95 N100 T101 I134 | L93-K97 HydrophobicContact CD1-CD 4.49Å; L93-K97 HydrophobicContact CD1-CG 4.49Å; L93-K97 HydrophobicContact CG-CD 4.41Å; L93-K97 WeakPolarHBondContact O-CG 3.43Å; L93-K97 PolarHBondContact O-N 2.72Å; D94-K97 PolarHBondContact O-N 3.34Å; H95-K97 PolarHBondContact O-N 3.13Å; K97-N100 WeakPolarHBondContact O-CB 3.19Å; K97-N100 PolarHBondContact O-N 3.29Å; K97-T101 PolarHBondContact O-N 3.19Å; K97-T101 PolarHBondContact O-OG1 2.73Å; K97-I134 HydrophobicContact CG-CD1 4.13Å; K97-I134 HydrophobicContact CG-CG1 4.33Å |
| 98 | S | 95.9 | Very high | 96.8 | Very high | 79 Ų | 79 | 40.4 Ų | 40.4 | 55% | 0.552 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -62.8 | -44.4 | 176.7 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | D94 H95 Q96 N100 T101 F102 | D94-S98 PolarHBondContact O-N 2.75Å; H95-S98 WeakPolarHBondContact O-CB 3.34Å; H95-S98 PolarHBondContact O-N 3.03Å; Q96-S98 VanDerWaalsContact C-N 3.33Å; Q96-S98 PolarHBondContact O-N 2.89Å; S98-N100 VanDerWaalsContact C-N 3.33Å; S98-N100 PolarHBondContact O-N 3.42Å; S98-T101 PolarHBondContact O-N 3.09Å; S98-F102 PolarHBondContact O-N 2.81Å; S98-F102 VanDerWaalsContact O-N 3.07Å |
| 99 | L | 95.2 | Very high | 96.9 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.1 | -43.2 | 173.5 | -68.4 | 172.3 | 0 | 0 | 0 | 111.5 | L15 A19 H95 Q96 T101 F102 I103 | L15-L99 HydrophobicContact CB-CD2 4Å; A19-L99 HydrophobicContact CB-CD1 3.8Å; H95-L99 WeakPolarHBondContact O-CG 3.47Å; H95-L99 PolarHBondContact O-N 2.66Å; Q96-L99 PolarHBondContact O-N 3.24Å; L99-T101 PolarHBondContact O-N 2.98Å; L99-F102 WeakPolarHBondContact O-CB 3.26Å; L99-F102 PolarHBondContact O-N 3.37Å; L99-I103 WeakPolarHBondContact O-CG1 3.34Å; L99-I103 PolarHBondContact O-N 3.42Å |
| 100 | N | 97 | Very high | 96.9 | Very high | 16 Ų | 16 | 44.2 Ų | 44.2 | 9% | 0.086 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 177.2 | -164.9 | 53.2 | 0 | 0 | 0 | 112.3 | Q96 K97 S98 F102 I103 L104 S130 I134 | Q96-N100 WeakPolarHBondContact O-CB 3.22Å; Q96-N100 PolarHBondContact O-N 2.69Å; K97-N100 WeakPolarHBondContact O-CB 3.19Å; K97-N100 PolarHBondContact O-N 3.29Å; S98-N100 VanDerWaalsContact C-N 3.33Å; S98-N100 PolarHBondContact O-N 3.42Å; N100-F102 VanDerWaalsContact C-N 3.26Å; N100-F102 PolarHBondContact O-N 2.87Å; N100-I103 PolarHBondContact O-N 2.72Å; N100-L104 WeakPolarHBondContact O-CG 3.45Å; N100-L104 PolarHBondContact O-N 2.96Å; N100-S130 VanDerWaalsContact CB-OG 3.22Å; N100-S130 WeakPolarHBondContact CB-OG 3.41Å; N100-S130 WeakPolarHBondContact OD1-CB 3.36Å; N100-S130 PolarHBondContact OD1-OG 3.5Å; N100-I134 HydrophobicContact CB-CD1 3.97Å |
| 101 | T | 97.9 | Very high | 97 | Very high | 78 Ų | 78 | 46.8 Ų | 46.8 | 48% | 0.479 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.5 | -42.7 | 175 | -61.7 | 0 | 0 | 0 | 0 | 111 | K97 S98 L99 L104 D105 | K97-T101 PolarHBondContact O-N 3.19Å; K97-T101 PolarHBondContact O-OG1 2.73Å; S98-T101 PolarHBondContact O-N 3.09Å; L99-T101 PolarHBondContact O-N 2.98Å; T101-L104 PolarHBondContact O-N 3.47Å; T101-D105 VanDerWaalsContact O-CG 3.27Å; T101-D105 PolarHBondContact O-N 2.93Å |
| 102 | F | 97.2 | Very high | 97.1 | Very high | 45 Ų | 45 | 48 Ų | 48 | 20% | 0.197 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 176.5 | -166.4 | -85.2 | 0 | 0 | 0 | 111.9 | K11 L12 L15 S98 L99 N100 L104 D105 V106 | K11-F102 HydrophobicContact CB-CE1 4.31Å; K11-F102 HydrophobicContact CB-CZ 3.68Å; K11-F102 HydrophobicContact CD-CZ 4.28Å; L12-F102 HydrophobicContact CB-CD1 4.29Å; L12-F102 HydrophobicContact CB-CE1 3.89Å; L12-F102 HydrophobicContact CD1-CD1 3.85Å; L12-F102 HydrophobicContact CD1-CE1 4.33Å; L15-F102 HydrophobicContact CD1-CB 4.24Å; L15-F102 HydrophobicContact CD1-CD1 3.68Å; L15-F102 HydrophobicContact CD1-CD2 3.62Å; L15-F102 HydrophobicContact CD1-CE1 3.86Å; L15-F102 HydrophobicContact CD1-CE2 3.8Å; L15-F102 HydrophobicContact CD1-CG 3.54Å; L15-F102 HydrophobicContact CD1-CZ 3.92Å; S98-F102 PolarHBondContact O-N 2.81Å; S98-F102 VanDerWaalsContact O-N 3.07Å; L99-F102 WeakPolarHBondContact O-CB 3.26Å; L99-F102 PolarHBondContact O-N 3.37Å; N100-F102 VanDerWaalsContact C-N 3.26Å; N100-F102 PolarHBondContact O-N 2.87Å; F102-L104 VanDerWaalsContact C-N 3.34Å; F102-L104 PolarHBondContact O-N 2.97Å; F102-D105 WeakPolarHBondContact O-CB 3.47Å; F102-D105 PolarHBondContact O-N 3.41Å; F102-D105 VanDerWaalsContact O-N 3.14Å; F102-V106 HydrophobicContact CD1-CG2 3.8Å; F102-V106 HydrophobicContact CE1-CG2 3.52Å; F102-V106 HydrophobicContact CZ-CG2 4.34Å; F102-V106 WeakPolarHBondContact O-CG2 3.35Å; F102-V106 PolarHBondContact O-N 3.39Å |
| 103 | I | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 177 | -65 | 159.9 | 0 | 0 | 0 | 110.8 | L12 L99 N100 D105 V106 H107 L122 F126 L127 | L12-I103 HydrophobicContact CD1-CG1 3.89Å; L12-I103 HydrophobicContact CD2-CG1 4.24Å; L99-I103 WeakPolarHBondContact O-CG1 3.34Å; L99-I103 PolarHBondContact O-N 3.42Å; N100-I103 PolarHBondContact O-N 2.72Å; I103-D105 VanDerWaalsContact C-N 3.27Å; I103-D105 PolarHBondContact O-N 3.02Å; I103-V106 PolarHBondContact O-N 2.76Å; I103-H107 WeakPolarHBondContact O-CB 3.45Å; I103-H107 PolarHBondContact O-N 3.18Å; I103-L122 HydrophobicContact CG2-CB 4.43Å; I103-L122 HydrophobicContact CG2-CD2 4.38Å; I103-F126 HydrophobicContact CD1-CB 4.13Å; I103-F126 HydrophobicContact CG2-CB 4.31Å; I103-L127 HydrophobicContact CB-CD2 4.3Å; I103-L127 HydrophobicContact CG2-CD2 3.56Å; I103-L127 HydrophobicContact CG2-CG 4.14Å |
| 104 | L | 98.1 | Very high | 97.1 | Very high | 63 Ų | 63 | 58.4 Ų | 58.4 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.3 | -34.5 | 176.3 | -69.2 | 172 | 0 | 0 | 0 | 112.3 | N100 T101 F102 H107 R108 L127 | N100-L104 WeakPolarHBondContact O-CG 3.45Å; N100-L104 PolarHBondContact O-N 2.96Å; T101-L104 PolarHBondContact O-N 3.47Å; F102-L104 VanDerWaalsContact C-N 3.34Å; F102-L104 PolarHBondContact O-N 2.97Å; L104-H107 PolarHBondContact O-N 3.44Å; L104-R108 WeakPolarHBondContact O-CB 3.44Å; L104-R108 PolarHBondContact O-N 3.41Å; L104-L127 HydrophobicContact CD2-CD1 4.24Å; L104-L127 HydrophobicContact CD2-CD2 3.85Å; L104-L127 HydrophobicContact CG-CD2 4.27Å |
| 105 | D | 97.8 | Very high | 97.2 | Very high | 47 Ų | 47 | 54.5 Ų | 54.5 | 25% | 0.251 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.4 | -39.6 | 175.7 | -74 | -15.6 | 0 | 0 | 0 | 112.3 | T101 F102 I103 R108 R109 | T101-D105 VanDerWaalsContact O-CG 3.27Å; T101-D105 PolarHBondContact O-N 2.93Å; F102-D105 WeakPolarHBondContact O-CB 3.47Å; F102-D105 PolarHBondContact O-N 3.41Å; F102-D105 VanDerWaalsContact O-N 3.14Å; I103-D105 VanDerWaalsContact C-N 3.27Å; I103-D105 PolarHBondContact O-N 3.02Å; D105-R108 IonicContact OD1-CZ 3.19Å; D105-R108 IonicContact OD1-NH1 2.89Å; D105-R108 PolarHBondContact OD1-NH1 2.97Å; D105-R108 IonicContact OD1-NH2 2.73Å; D105-R109 WeakPolarHBondContact O-CG 3.47Å; D105-R109 PolarHBondContact O-N 3.44Å; D105-R109 VanDerWaalsContact O-N 3.09Å; D105-R109 PolarHBondContact O-NH1 3.27Å |
| 106 | V | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 172.2 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | D8 F102 I103 R109 A110 L118 L122 | D8-V106 HydrophobicContact CB-CG1 4.01Å; D8-V106 HydrophobicContact CB-CG2 3.88Å; F102-V106 HydrophobicContact CD1-CG2 3.8Å; F102-V106 HydrophobicContact CE1-CG2 3.52Å; F102-V106 HydrophobicContact CZ-CG2 4.34Å; F102-V106 WeakPolarHBondContact O-CG2 3.35Å; F102-V106 PolarHBondContact O-N 3.39Å; I103-V106 PolarHBondContact O-N 2.76Å; V106-R109 PolarHBondContact O-N 2.9Å; V106-A110 WeakPolarHBondContact O-CB 3.45Å; V106-A110 PolarHBondContact O-N 3.35Å; V106-L118 HydrophobicContact CG1-CD2 4.26Å; V106-L122 HydrophobicContact CB-CD1 4.14Å; V106-L122 HydrophobicContact CG1-CD1 3.87Å |
| 107 | H | 98.2 | Very high | 97.5 | Very high | 40 Ų | 40 | 62.2 Ų | 62.2 | 19% | 0.185 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.6 | -48.8 | 176.5 | 179.5 | -76.6 | 0 | 0 | 0 | 111.6 | I103 L104 R109 A110 D111 L122 E123 | I103-H107 WeakPolarHBondContact O-CB 3.45Å; I103-H107 PolarHBondContact O-N 3.18Å; L104-H107 PolarHBondContact O-N 3.44Å; H107-R109 VanDerWaalsContact C-N 3.29Å; H107-R109 PolarHBondContact O-N 3.01Å; H107-A110 WeakPolarHBondContact O-CB 3.47Å; H107-A110 PolarHBondContact O-N 2.88Å; H107-A110 VanDerWaalsContact O-N 3.1Å; H107-D111 PolarHBondContact O-N 3.16Å; H107-L122 HydrophobicContact CB-CD1 4.02Å; H107-E123 IonicContact CD2-OE1 2.66Å; H107-E123 IonicContact CE1-OE1 3.73Å; H107-E123 IonicContact NE2-OE1 3.69Å; H107-E123 PolarHBondContact NE2-OE1 3.38Å |
| 108 | R | 98 | Very high | 97.5 | Very high | 151 Ų | 151 | 57.9 Ų | 57.9 | 57% | 0.57 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.4 | -38.9 | 176.8 | -166.3 | -175.6 | -53.5 | 106.8 | 7.4 | 112.5 | L104 D105 G112 | L104-R108 WeakPolarHBondContact O-CB 3.44Å; L104-R108 PolarHBondContact O-N 3.41Å; D105-R108 IonicContact OD1-CZ 3.19Å; D105-R108 IonicContact OD1-NH1 2.89Å; D105-R108 PolarHBondContact OD1-NH1 2.97Å; D105-R108 IonicContact OD1-NH2 2.73Å; R108-G112 PolarHBondContact O-N 2.93Å |
| 109 | R | 97.4 | Very high | 97.6 | Very high | 80 Ų | 80 | 54.6 Ų | 54.6 | 30% | 0.302 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -70.6 | -37.4 | 175.8 | -74.7 | -168.7 | -66.7 | -84.7 | 4.7 | 112.2 | D8 D105 V106 H107 G112 N113 | D8-R109 VanDerWaalsContact CG-NE 3.34Å; D8-R109 IonicContact OD1-CZ 2.69Å; D8-R109 IonicContact OD1-NE 3.64Å; D8-R109 PolarHBondContact OD1-NE 3Å; D8-R109 IonicContact OD1-NH2 3.51Å; D8-R109 PolarHBondContact OD1-NH2 3.49Å; D8-R109 IonicContact OD2-CZ 2.67Å; D8-R109 IonicContact OD2-NE 3.9Å; D8-R109 PolarHBondContact OD2-NE 3.43Å; D8-R109 IonicContact OD2-NH2 3.33Å; D8-R109 PolarHBondContact OD2-NH2 3.48Å; D105-R109 WeakPolarHBondContact O-CG 3.47Å; D105-R109 PolarHBondContact O-N 3.44Å; D105-R109 VanDerWaalsContact O-N 3.09Å; D105-R109 PolarHBondContact O-NH1 3.27Å; V106-R109 PolarHBondContact O-N 2.9Å; H107-R109 VanDerWaalsContact C-N 3.29Å; H107-R109 PolarHBondContact O-N 3.01Å; R109-G112 PolarHBondContact O-N 3.11Å; R109-N113 WeakPolarHBondContact O-CB 3.49Å; R109-N113 PolarHBondContact O-N 2.98Å; R109-N113 PolarHBondContact O-ND2 3.12Å |
| 110 | A | 97.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T5 V106 H107 N113 K114 D115 L118 | T5-A110 HydrophobicContact CG2-CB 4.45Å; V106-A110 WeakPolarHBondContact O-CB 3.45Å; V106-A110 PolarHBondContact O-N 3.35Å; H107-A110 WeakPolarHBondContact O-CB 3.47Å; H107-A110 PolarHBondContact O-N 2.88Å; H107-A110 VanDerWaalsContact O-N 3.1Å; A110-N113 CarbonylContact O-C 3.41Å; A110-N113 PolarHBondContact O-N 3.47Å; A110-K114 PolarHBondContact O-N 3.45Å; A110-K114 VanDerWaalsContact O-N 3.08Å; A110-D115 HydrophobicContact CB-CB 4.43Å; A110-D115 PolarHBondContact O-N 3.4Å; A110-L118 HydrophobicContact CB-CB 4.07Å; A110-L118 HydrophobicContact CB-CD2 3.68Å; A110-L118 HydrophobicContact CB-CG 3.93Å |
| 111 | D | 97.8 | Very high | 97.8 | Very high | 107 Ų | 107 | 57.9 Ų | 57.9 | 57% | 0.572 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.3 | -45.5 | 176.7 | -174 | 55.4 | 0 | 0 | 0 | 111.9 | H107 N113 K114 | H107-D111 PolarHBondContact O-N 3.16Å; D111-N113 PolarHBondContact O-N 2.72Å; D111-K114 WeakPolarHBondContact O-CA 3.23Å; D111-K114 PolarHBondContact O-N 3.27Å |
| 112 | G | 97.5 | Very high | 97.8 | Very high | 58 Ų | 58 | 54.1 Ų | 54.1 | 60% | 0.598 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -57.9 | -35.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R108 R109 K114 | R108-G112 PolarHBondContact O-N 2.93Å; R109-G112 PolarHBondContact O-N 3.11Å; G112-K114 VanDerWaalsContact C-N 3.26Å; G112-K114 PolarHBondContact O-N 2.88Å |
| 113 | N | 97.1 | Very high | 97.8 | Very high | 58 Ų | 58 | 56.1 Ų | 56.1 | 31% | 0.31 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 6.1 | 174.8 | -70.3 | -30.1 | 0 | 0 | 0 | 113.7 | H2 T5 R109 A110 D111 D115 | H2-N113 HydrophobicContact CB-CB 4.04Å; H2-N113 PolarHBondContact ND1-ND2 3.1Å; T5-N113 PolarHBondContact OG1-ND2 3.24Å; T5-N113 VanDerWaalsContact OG1-ND2 3.12Å; R109-N113 WeakPolarHBondContact O-CB 3.49Å; R109-N113 PolarHBondContact O-N 2.98Å; R109-N113 PolarHBondContact O-ND2 3.12Å; A110-N113 CarbonylContact O-C 3.41Å; A110-N113 PolarHBondContact O-N 3.47Å; D111-N113 PolarHBondContact O-N 2.72Å; N113-D115 VanDerWaalsContact C-N 3.34Å; N113-D115 PolarHBondContact O-N 2.79Å |
| 114 | K | 97.4 | Very high | 97.8 | Very high | 181 Ų | 181 | 63.6 Ų | 63.6 | 79% | 0.787 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 45.5 | -179.7 | -54.2 | 179.6 | -177.8 | 179.7 | 0 | 112.6 | A110 D111 G112 P116 | A110-K114 PolarHBondContact O-N 3.45Å; A110-K114 VanDerWaalsContact O-N 3.08Å; D111-K114 WeakPolarHBondContact O-CA 3.23Å; D111-K114 PolarHBondContact O-N 3.27Å; G112-K114 VanDerWaalsContact C-N 3.26Å; G112-K114 PolarHBondContact O-N 2.88Å; K114-P116 VanDerWaalsContact C-CD 3.4Å; K114-P116 WeakPolarHBondContact O-CD 3.48Å |
| 115 | D | 98 | Very high | 97.6 | Very high | 11 Ų | 11 | 64 Ų | 64 | 6% | 0.059 | 31% | 0.312 | C | S | . | . | trans | -105.1 | 76.8 | 178.1 | -160.8 | -36 | 0 | 0 | 0 | 111.4 | R65 A110 N113 H117 L118 C119 | R65-D115 IonicContact CZ-OD1 3.45Å; R65-D115 IonicContact CZ-OD2 3.49Å; R65-D115 IonicContact NH1-OD1 2.86Å; R65-D115 PolarHBondContact NH1-OD1 3.48Å; R65-D115 IonicContact NH1-OD2 2.82Å; R65-D115 PolarHBondContact NH1-OD2 3.37Å; R65-D115 VanDerWaalsContact NH2-CG 3.25Å; R65-D115 IonicContact NH2-OD1 2.72Å; R65-D115 PolarHBondContact NH2-OD1 3.04Å; R65-D115 IonicContact NH2-OD2 3.11Å; R65-D115 PolarHBondContact NH2-OD2 3.31Å; A110-D115 HydrophobicContact CB-CB 4.43Å; A110-D115 PolarHBondContact O-N 3.4Å; N113-D115 VanDerWaalsContact C-N 3.34Å; N113-D115 PolarHBondContact O-N 2.79Å; D115-H117 PolarHBondContact O-N 3.06Å; D115-L118 HydrophobicContact CB-CB 4.39Å; D115-L118 PolarHBondContact O-N 3.39Å; D115-L118 VanDerWaalsContact O-N 3.14Å; D115-L118 PolarHBondContact OD1-N 3.01Å; D115-L118 VanDerWaalsContact OD1-N 3.13Å; D115-C119 PolarHBondContact O-N 3.38Å; D115-C119 PolarHBondContact O-SG 2.91Å | ||
| 116 | P | 97.8 | Very high | 97.5 | Very high | 99 Ų | 99 | 61.8 Ų | 61.8 | 64% | 0.643 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.9 | -27 | -175.4 | 26.7 | -36.2 | 0 | 0 | 0 | 112.7 | K114 C119 D120 | K114-P116 VanDerWaalsContact C-CD 3.4Å; K114-P116 WeakPolarHBondContact O-CD 3.48Å; P116-C119 PolarHBondContact O-N 2.83Å; P116-D120 WeakPolarHBondContact O-CB 3.25Å; P116-D120 PolarHBondContact O-N 3.02Å |
| 117 | H | 98.1 | Very high | 97.5 | Very high | 97 Ų | 97 | 62.7 Ų | 62.7 | 45% | 0.449 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.7 | -32.1 | 178.8 | -173.3 | -90.8 | 0 | 0 | 0 | 112 | Y61 D115 Y121 | Y61-H117 AromaticContact CE2-CE1 3.54Å; Y61-H117 AromaticContact CE2-ND1 3.59Å; Y61-H117 AromaticContact CZ-ND1 3.61Å; Y61-H117 VanDerWaalsContact OH-C 3.29Å; Y61-H117 PolarHBondContact OH-ND1 2.92Å; Y61-H117 PolarHBondContact OH-O 2.71Å; Y61-H117 VanDerWaalsContact OH-O 3.09Å; D115-H117 PolarHBondContact O-N 3.06Å; H117-Y121 WeakPolarHBondContact O-CB 3.25Å; H117-Y121 PolarHBondContact O-N 3.36Å |
| 118 | L | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -76.8 | -38.9 | 172.2 | 179.4 | 62.6 | 0 | 0 | 0 | 112 | T5 V9 Y61 V106 A110 D115 Y121 L122 | T5-L118 HydrophobicContact CG2-CD2 2.95Å; T5-L118 HydrophobicContact CG2-CG 4.41Å; V9-L118 HydrophobicContact CG2-CD1 4.38Å; V9-L118 HydrophobicContact CG2-CD2 4.38Å; Y61-L118 HydrophobicContact CD1-CD1 4.33Å; Y61-L118 HydrophobicContact CE1-CD1 3.56Å; Y61-L118 WeakPolarHBondContact OH-CA 3.42Å; Y61-L118 WeakPolarHBondContact OH-CB 3.43Å; Y61-L118 PolarHBondContact OH-N 2.95Å; V106-L118 HydrophobicContact CG1-CD2 4.26Å; A110-L118 HydrophobicContact CB-CB 4.07Å; A110-L118 HydrophobicContact CB-CD2 3.68Å; A110-L118 HydrophobicContact CB-CG 3.93Å; D115-L118 HydrophobicContact CB-CB 4.39Å; D115-L118 PolarHBondContact O-N 3.39Å; D115-L118 VanDerWaalsContact O-N 3.14Å; D115-L118 PolarHBondContact OD1-N 3.01Å; D115-L118 VanDerWaalsContact OD1-N 3.13Å; L118-Y121 HydrophobicContact CD1-CD1 4.28Å; L118-Y121 PolarHBondContact O-N 2.67Å; L118-L122 HydrophobicContact CD1-CD1 3.99Å; L118-L122 HydrophobicContact CD1-CD2 4.18Å; L118-L122 HydrophobicContact CD1-CG 3.77Å; L118-L122 HydrophobicContact CG-CD1 3.95Å; L118-L122 HydrophobicContact CG-CG 4.17Å; L118-L122 WeakPolarHBondContact O-CG 3.25Å; L118-L122 PolarHBondContact O-N 2.98Å |
| 119 | C | 98.4 | Very high | 97.1 | Very high | 10 Ų | 10 | 60.2 Ų | 60.2 | 7% | 0.068 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.2 | -54.1 | 174.4 | -62.4 | 0 | 0 | 0 | 0 | 111.2 | D115 P116 Y121 L122 E123 | D115-C119 PolarHBondContact O-N 3.38Å; D115-C119 PolarHBondContact O-SG 2.91Å; P116-C119 PolarHBondContact O-N 2.83Å; C119-Y121 VanDerWaalsContact C-N 3.31Å; C119-Y121 PolarHBondContact O-N 3.38Å; C119-L122 PolarHBondContact O-N 2.74Å; C119-E123 WeakPolarHBondContact O-CB 3.49Å; C119-E123 VanDerWaalsContact O-CG 3.26Å; C119-E123 WeakPolarHBondContact O-CG 3.38Å; C119-E123 PolarHBondContact O-N 3.49Å |
| 120 | D | 98.4 | Very high | 97 | Very high | 52 Ų | 52 | 56.5 Ų | 56.5 | 28% | 0.278 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.2 | -40.8 | 179.1 | -178.2 | 72.1 | 0 | 0 | 0 | 112.2 | P116 E123 R124 | P116-D120 WeakPolarHBondContact O-CB 3.25Å; P116-D120 PolarHBondContact O-N 3.02Å; D120-E123 PolarHBondContact O-N 2.76Å; D120-R124 WeakPolarHBondContact O-CB 3.29Å; D120-R124 WeakPolarHBondContact O-CG 3.43Å; D120-R124 PolarHBondContact O-N 3.27Å; D120-R124 IonicContact OD1-CZ 3.42Å; D120-R124 IonicContact OD1-NE 2.71Å; D120-R124 PolarHBondContact OD1-NE 2.91Å; D120-R124 VanDerWaalsContact OD1-NE 3.09Å; D120-R124 IonicContact OD1-NH1 2.94Å; D120-R124 IonicContact OD1-NH2 2.76Å; D120-R124 PolarHBondContact OD1-NH2 3.48Å; D120-R124 IonicContact OD2-CZ 3.61Å; D120-R124 IonicContact OD2-NE 2.83Å; D120-R124 PolarHBondContact OD2-NE 3.35Å; D120-R124 IonicContact OD2-NH1 3.2Å; D120-R124 PolarHBondContact OD2-NH1 3.49Å; D120-R124 IonicContact OD2-NH2 3.33Å; D120-R124 PolarHBondContact OD2-NH2 2.74Å |
| 121 | Y | 98.1 | Very high | 96.9 | Very high | 38 Ų | 38 | 61.1 Ų | 61.1 | 15% | 0.149 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 178 | 179.8 | -105.2 | 0 | 0 | 0 | 112.6 | K57 L58 Y61 H117 L118 C119 E123 R124 E125 F126 | K57-Y121 VanDerWaalsContact C-OH 3.25Å; K57-Y121 WeakPolarHBondContact CB-OH 3.22Å; K57-Y121 PolarHBondContact O-OH 3.5Å; L58-Y121 HydrophobicContact CD2-CE1 4.17Å; Y61-Y121 HydrophobicContact CD1-CD1 4.17Å; Y61-Y121 HydrophobicContact CD1-CE1 4.14Å; Y61-Y121 AromaticContact CD2-CD1 3.4Å; Y61-Y121 HydrophobicContact CD2-CD1 3.4Å; Y61-Y121 VanDerWaalsContact CD2-CD1 3.4Å; Y61-Y121 AromaticContact CD2-CD2 3.5Å; Y61-Y121 HydrophobicContact CD2-CD2 3.5Å; Y61-Y121 VanDerWaalsContact CD2-CD2 3.5Å; Y61-Y121 AromaticContact CD2-CE1 3.43Å; Y61-Y121 HydrophobicContact CD2-CE1 3.43Å; Y61-Y121 VanDerWaalsContact CD2-CE1 3.43Å; Y61-Y121 AromaticContact CD2-CE2 3.54Å; Y61-Y121 HydrophobicContact CD2-CE2 3.54Å; Y61-Y121 AromaticContact CD2-CG 3.43Å; Y61-Y121 HydrophobicContact CD2-CG 3.43Å; Y61-Y121 VanDerWaalsContact CD2-CG 3.43Å; Y61-Y121 AromaticContact CD2-CZ 3.51Å; Y61-Y121 HydrophobicContact CE1-CD1 4.28Å; Y61-Y121 AromaticContact CE2-CD1 3.48Å; Y61-Y121 HydrophobicContact CE2-CD1 3.48Å; Y61-Y121 VanDerWaalsContact CE2-CD1 3.48Å; Y61-Y121 AromaticContact CE2-CD2 3.62Å; Y61-Y121 HydrophobicContact CE2-CD2 3.62Å; Y61-Y121 HydrophobicContact CE2-CE1 4.03Å; Y61-Y121 HydrophobicContact CE2-CE2 4.17Å; Y61-Y121 AromaticContact CE2-CG 3.24Å; Y61-Y121 HydrophobicContact CE2-CG 3.24Å; Y61-Y121 AromaticContact CG-CD1 3.74Å; Y61-Y121 HydrophobicContact CG-CD1 3.74Å; Y61-Y121 HydrophobicContact CG-CD2 4.49Å; Y61-Y121 AromaticContact CG-CE1 3.47Å; Y61-Y121 HydrophobicContact CG-CE1 3.47Å; Y61-Y121 VanDerWaalsContact CG-CE1 3.47Å; Y61-Y121 HydrophobicContact CG-CE2 4.27Å; Y61-Y121 HydrophobicContact CG-CG 4.24Å; Y61-Y121 AromaticContact CG-CZ 3.77Å; Y61-Y121 AromaticContact CZ-CD1 3.92Å; Y61-Y121 AromaticContact CZ-CG 3.98Å; H117-Y121 WeakPolarHBondContact O-CB 3.25Å; H117-Y121 PolarHBondContact O-N 3.36Å; L118-Y121 HydrophobicContact CD1-CD1 4.28Å; L118-Y121 PolarHBondContact O-N 2.67Å; C119-Y121 VanDerWaalsContact C-N 3.31Å; C119-Y121 PolarHBondContact O-N 3.38Å; Y121-E123 VanDerWaalsContact C-N 3.33Å; Y121-E123 PolarHBondContact O-N 3.24Å; Y121-R124 PolarHBondContact O-N 3.13Å; Y121-E125 HydrophobicContact CD2-CG 3.95Å; Y121-E125 HydrophobicContact CE2-CB 4.41Å; Y121-E125 HydrophobicContact CE2-CG 3.71Å; Y121-E125 WeakPolarHBondContact O-CB 3.33Å; Y121-E125 PolarHBondContact O-N 2.98Å; Y121-F126 HydrophobicContact CD1-CE2 4.09Å; Y121-F126 HydrophobicContact CE1-CD2 4.4Å; Y121-F126 AromaticContact CE1-CE2 3.45Å; Y121-F126 HydrophobicContact CE1-CE2 3.45Å; Y121-F126 VanDerWaalsContact CE1-CE2 3.45Å; Y121-F126 HydrophobicContact CE1-CZ 4.15Å; Y121-F126 AromaticContact CZ-CE2 3.8Å |
| 122 | L | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 177.4 | -68.2 | 175.7 | 0 | 0 | 0 | 111.8 | L12 I103 V106 H107 L118 C119 F126 L127 | L12-L122 HydrophobicContact CD2-CD2 4.28Å; I103-L122 HydrophobicContact CG2-CB 4.43Å; I103-L122 HydrophobicContact CG2-CD2 4.38Å; V106-L122 HydrophobicContact CB-CD1 4.14Å; V106-L122 HydrophobicContact CG1-CD1 3.87Å; H107-L122 HydrophobicContact CB-CD1 4.02Å; L118-L122 HydrophobicContact CD1-CD1 3.99Å; L118-L122 HydrophobicContact CD1-CD2 4.18Å; L118-L122 HydrophobicContact CD1-CG 3.77Å; L118-L122 HydrophobicContact CG-CD1 3.95Å; L118-L122 HydrophobicContact CG-CG 4.17Å; L118-L122 WeakPolarHBondContact O-CG 3.25Å; L118-L122 PolarHBondContact O-N 2.98Å; C119-L122 PolarHBondContact O-N 2.74Å; L122-F126 HydrophobicContact CD2-CD2 4.08Å; L122-F126 WeakPolarHBondContact O-CB 3.49Å; L122-F126 PolarHBondContact O-N 2.89Å; L122-F126 VanDerWaalsContact O-N 3.13Å; L122-L127 PolarHBondContact O-N 2.96Å |
| 123 | E | 97.8 | Very high | 96.8 | Very high | 86 Ų | 86 | 58.7 Ų | 58.7 | 40% | 0.402 | 29% | 0.285 | S | S | . | . | I | π-helix | trans | -61.6 | -49.2 | 177.5 | -74.4 | 167.4 | -155.6 | 0 | 0 | 112.2 | H107 C119 D120 Y121 L127 | H107-E123 IonicContact CD2-OE1 2.66Å; H107-E123 IonicContact CE1-OE1 3.73Å; H107-E123 IonicContact NE2-OE1 3.69Å; H107-E123 PolarHBondContact NE2-OE1 3.38Å; C119-E123 WeakPolarHBondContact O-CB 3.49Å; C119-E123 VanDerWaalsContact O-CG 3.26Å; C119-E123 WeakPolarHBondContact O-CG 3.38Å; C119-E123 PolarHBondContact O-N 3.49Å; D120-E123 PolarHBondContact O-N 2.76Å; Y121-E123 VanDerWaalsContact C-N 3.33Å; Y121-E123 PolarHBondContact O-N 3.24Å; E123-L127 HydrophobicContact CG-CD1 3.99Å |
| 124 | R | 96.2 | Very high | 96.9 | Very high | 158 Ų | 158 | 57.6 Ų | 57.6 | 60% | 0.596 | 28% | 0.278 | S | S | * | . | I | π-helix | trans | -73.6 | -45.7 | -175.9 | -70.5 | 179.7 | -179.7 | 161.4 | 11.7 | 113.3 | D120 Y121 | D120-R124 WeakPolarHBondContact O-CB 3.29Å; D120-R124 WeakPolarHBondContact O-CG 3.43Å; D120-R124 PolarHBondContact O-N 3.27Å; D120-R124 IonicContact OD1-CZ 3.42Å; D120-R124 IonicContact OD1-NE 2.71Å; D120-R124 PolarHBondContact OD1-NE 2.91Å; D120-R124 VanDerWaalsContact OD1-NE 3.09Å; D120-R124 IonicContact OD1-NH1 2.94Å; D120-R124 IonicContact OD1-NH2 2.76Å; D120-R124 PolarHBondContact OD1-NH2 3.48Å; D120-R124 IonicContact OD2-CZ 3.61Å; D120-R124 IonicContact OD2-NE 2.83Å; D120-R124 PolarHBondContact OD2-NE 3.35Å; D120-R124 IonicContact OD2-NH1 3.2Å; D120-R124 PolarHBondContact OD2-NH1 3.49Å; D120-R124 IonicContact OD2-NH2 3.33Å; D120-R124 PolarHBondContact OD2-NH2 2.74Å; Y121-R124 PolarHBondContact O-N 3.13Å |
| 125 | E | 95.3 | Very high | 96.9 | Very high | 72 Ų | 72 | 54.8 Ų | 54.8 | 34% | 0.336 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -92.5 | -22.8 | -168.1 | -64.9 | -65.9 | 147.6 | 0 | 0 | 113.3 | K57 Y121 | K57-E125 IonicContact NZ-OE2 3.39Å; K57-E125 PolarHBondContact NZ-OE2 2.92Å; Y121-E125 HydrophobicContact CD2-CG 3.95Å; Y121-E125 HydrophobicContact CE2-CB 4.41Å; Y121-E125 HydrophobicContact CE2-CG 3.71Å; Y121-E125 WeakPolarHBondContact O-CB 3.33Å; Y121-E125 PolarHBondContact O-N 2.98Å |
| 126 | F | 96.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -126.4 | -43.8 | -169.7 | -59.6 | -93.7 | 0 | 0 | 0 | 114.2 | Q54 K57 L58 I103 Y121 L122 I128 S130 | Q54-F126 HydrophobicContact CB-CD1 4.44Å; Q54-F126 HydrophobicContact CB-CE1 3.85Å; Q54-F126 HydrophobicContact CG-CD1 4.33Å; Q54-F126 HydrophobicContact CG-CE1 4.06Å; K57-F126 HydrophobicContact CB-CZ 4.35Å; L58-F126 HydrophobicContact CD1-CE1 3.91Å; L58-F126 HydrophobicContact CD1-CZ 4.14Å; L58-F126 HydrophobicContact CD2-CE1 4.15Å; L58-F126 HydrophobicContact CD2-CE2 4.03Å; L58-F126 HydrophobicContact CD2-CZ 3.62Å; L58-F126 HydrophobicContact CG-CE1 3.82Å; L58-F126 HydrophobicContact CG-CE2 4.41Å; L58-F126 HydrophobicContact CG-CZ 3.52Å; I103-F126 HydrophobicContact CD1-CB 4.13Å; I103-F126 HydrophobicContact CG2-CB 4.31Å; Y121-F126 HydrophobicContact CD1-CE2 4.09Å; Y121-F126 HydrophobicContact CE1-CD2 4.4Å; Y121-F126 AromaticContact CE1-CE2 3.45Å; Y121-F126 HydrophobicContact CE1-CE2 3.45Å; Y121-F126 VanDerWaalsContact CE1-CE2 3.45Å; Y121-F126 HydrophobicContact CE1-CZ 4.15Å; Y121-F126 AromaticContact CZ-CE2 3.8Å; L122-F126 HydrophobicContact CD2-CD2 4.08Å; L122-F126 WeakPolarHBondContact O-CB 3.49Å; L122-F126 PolarHBondContact O-N 2.89Å; L122-F126 VanDerWaalsContact O-N 3.13Å; F126-I128 PolarHBondContact O-N 3.25Å; F126-S130 WeakPolarHBondContact O-CB 3.46Å; F126-S130 PolarHBondContact O-N 3.47Å |
| 127 | L | 96 | Very high | 96.9 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 10% | 0.099 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -67.7 | -36.6 | -175.6 | -70.1 | -177.2 | 0 | 0 | 0 | 112.3 | I103 L104 L122 E123 S130 H131 | I103-L127 HydrophobicContact CB-CD2 4.3Å; I103-L127 HydrophobicContact CG2-CD2 3.56Å; I103-L127 HydrophobicContact CG2-CG 4.14Å; L104-L127 HydrophobicContact CD2-CD1 4.24Å; L104-L127 HydrophobicContact CD2-CD2 3.85Å; L104-L127 HydrophobicContact CG-CD2 4.27Å; L122-L127 PolarHBondContact O-N 2.96Å; E123-L127 HydrophobicContact CG-CD1 3.99Å; L127-S130 PolarHBondContact O-N 3.37Å; L127-H131 VanDerWaalsContact O-CG 3.26Å; L127-H131 PolarHBondContact O-N 3.49Å; L127-H131 VanDerWaalsContact O-N 3.07Å; L127-H131 PolarHBondContact O-ND1 3.39Å |
| 128 | I | 95.4 | Very high | 96.9 | Very high | 100 Ų | 100 | 50.4 Ų | 50.4 | 51% | 0.513 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.4 | -56 | 176.8 | -63.3 | 172.1 | 0 | 0 | 0 | 110.4 | F126 S130 H131 D132 | F126-I128 PolarHBondContact O-N 3.25Å; I128-S130 VanDerWaalsContact C-N 3.25Å; I128-S130 PolarHBondContact O-N 2.91Å; I128-H131 PolarHBondContact O-N 2.85Å; I128-D132 PolarHBondContact O-N 3.02Å |
| 129 | D | 94.1 | Very high | 97 | Very high | 39 Ų | 39 | 53.5 Ų | 53.5 | 21% | 0.209 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.8 | -42 | 178 | 171.3 | 70.9 | 0 | 0 | 0 | 112 | R47 Q54 H131 D132 T133 | R47-D129 IonicContact NH1-OD1 3.94Å; R47-D129 IonicContact NH2-OD2 3.35Å; Q54-D129 VanDerWaalsContact NE2-CG 3.3Å; Q54-D129 PolarHBondContact NE2-OD2 3.26Å; D129-H131 PolarHBondContact O-N 3.4Å; D129-D132 PolarHBondContact O-N 3.49Å; D129-T133 VanDerWaalsContact O-CB 3.23Å; D129-T133 WeakPolarHBondContact O-CB 3.46Å; D129-T133 PolarHBondContact O-N 3.19Å; D129-T133 PolarHBondContact O-OG1 3.44Å; D129-T133 PolarHBondContact OD1-OG1 3.41Å |
| 130 | S | 93.7 | Very high | 97 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62 | -46 | -179.8 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | N100 F126 L127 I128 T133 I134 | N100-S130 VanDerWaalsContact CB-OG 3.22Å; N100-S130 WeakPolarHBondContact CB-OG 3.41Å; N100-S130 WeakPolarHBondContact OD1-CB 3.36Å; N100-S130 PolarHBondContact OD1-OG 3.5Å; F126-S130 WeakPolarHBondContact O-CB 3.46Å; F126-S130 PolarHBondContact O-N 3.47Å; L127-S130 PolarHBondContact O-N 3.37Å; I128-S130 VanDerWaalsContact C-N 3.25Å; I128-S130 PolarHBondContact O-N 2.91Å; S130-T133 PolarHBondContact O-N 3.07Å; S130-I134 WeakPolarHBondContact O-CB 3.23Å; S130-I134 WeakPolarHBondContact O-CD1 3.19Å; S130-I134 WeakPolarHBondContact O-CG1 3.46Å; S130-I134 PolarHBondContact O-N 2.94Å |
| 131 | H | 95.3 | Very high | 96.9 | Very high | 97 Ų | 97 | 53.3 Ų | 53.3 | 45% | 0.449 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 177.8 | -64.8 | 133.4 | 0 | 0 | 0 | 112.3 | L127 I128 D129 T133 I134 K135 | L127-H131 VanDerWaalsContact O-CG 3.26Å; L127-H131 PolarHBondContact O-N 3.49Å; L127-H131 VanDerWaalsContact O-N 3.07Å; L127-H131 PolarHBondContact O-ND1 3.39Å; I128-H131 PolarHBondContact O-N 2.85Å; D129-H131 PolarHBondContact O-N 3.4Å; H131-T133 VanDerWaalsContact C-N 3.34Å; H131-T133 PolarHBondContact O-N 3.26Å; H131-I134 PolarHBondContact O-N 3.48Å; H131-K135 WeakPolarHBondContact O-CB 3.33Å; H131-K135 PolarHBondContact O-N 2.96Å |
| 132 | D | 97.1 | Very high | 96.9 | Very high | 106 Ų | 106 | 54.3 Ų | 54.3 | 57% | 0.567 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.4 | -42.3 | 178.5 | -72.2 | -15.5 | 0 | 0 | 0 | 111.1 | I128 D129 K135 K136 | I128-D132 PolarHBondContact O-N 3.02Å; D129-D132 PolarHBondContact O-N 3.49Å; D132-K135 PolarHBondContact O-N 3.47Å; D132-K136 WeakPolarHBondContact O-CB 3.39Å; D132-K136 PolarHBondContact O-N 2.94Å |
| 133 | T | 96.9 | Very high | 96.8 | Very high | 9 Ų | 9 | 57.1 Ų | 57.1 | 6% | 0.055 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 176.5 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | R47 Q96 D129 S130 H131 K135 K136 L137 | R47-T133 PolarHBondContact NH1-OG1 3.4Å; R47-T133 PolarHBondContact NH2-OG1 3.22Å; Q96-T133 HydrophobicContact CG-CG2 3.88Å; D129-T133 VanDerWaalsContact O-CB 3.23Å; D129-T133 WeakPolarHBondContact O-CB 3.46Å; D129-T133 PolarHBondContact O-N 3.19Å; D129-T133 PolarHBondContact O-OG1 3.44Å; D129-T133 PolarHBondContact OD1-OG1 3.41Å; S130-T133 PolarHBondContact O-N 3.07Å; H131-T133 VanDerWaalsContact C-N 3.34Å; H131-T133 PolarHBondContact O-N 3.26Å; T133-K135 VanDerWaalsContact C-N 3.28Å; T133-K135 PolarHBondContact O-N 3.49Å; T133-K136 PolarHBondContact O-N 2.86Å; T133-L137 HydrophobicContact CG2-CD1 3.89Å; T133-L137 HydrophobicContact CG2-CG 4.35Å; T133-L137 WeakPolarHBondContact O-CB 3.39Å; T133-L137 WeakPolarHBondContact O-CG 2.95Å; T133-L137 PolarHBondContact O-N 2.88Å |
| 134 | I | 98.3 | Very high | 96.6 | Very high | 35 Ų | 35 | 53 Ų | 53 | 18% | 0.179 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.4 | -43.3 | 177.6 | -73.6 | 167.7 | 0 | 0 | 0 | 110.4 | L93 Q96 K97 N100 S130 H131 G138 | L93-I134 HydrophobicContact CD1-CB 4.35Å; L93-I134 HydrophobicContact CD1-CG2 3.88Å; L93-I134 WeakPolarHBondContact CD1-O 3.35Å; Q96-I134 HydrophobicContact CB-CG1 4.11Å; Q96-I134 HydrophobicContact CG-CD1 4.28Å; Q96-I134 HydrophobicContact CG-CG1 3.6Å; K97-I134 HydrophobicContact CG-CD1 4.13Å; K97-I134 HydrophobicContact CG-CG1 4.33Å; N100-I134 HydrophobicContact CB-CD1 3.97Å; S130-I134 WeakPolarHBondContact O-CB 3.23Å; S130-I134 WeakPolarHBondContact O-CD1 3.19Å; S130-I134 WeakPolarHBondContact O-CG1 3.46Å; S130-I134 PolarHBondContact O-N 2.94Å; H131-I134 PolarHBondContact O-N 3.48Å; I134-G138 PolarHBondContact O-N 2.9Å |
| 135 | K | 98.4 | Very high | 96.5 | Very high | 121 Ų | 121 | 48.3 Ų | 48.3 | 53% | 0.526 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64 | -48.8 | 177.5 | -179.9 | 59.3 | 170.1 | 73.4 | 0 | 111.4 | H131 D132 T133 L137 G138 D139 | H131-K135 WeakPolarHBondContact O-CB 3.33Å; H131-K135 PolarHBondContact O-N 2.96Å; D132-K135 PolarHBondContact O-N 3.47Å; T133-K135 VanDerWaalsContact C-N 3.28Å; T133-K135 PolarHBondContact O-N 3.49Å; K135-L137 PolarHBondContact O-N 2.97Å; K135-G138 PolarHBondContact O-N 3.3Å; K135-D139 IonicContact NZ-OD1 2.65Å; K135-D139 PolarHBondContact NZ-OD1 3.38Å; K135-D139 IonicContact NZ-OD2 2.61Å; K135-D139 PolarHBondContact NZ-OD2 3.16Å; K135-D139 PolarHBondContact O-N 2.98Å |
| 136 | K | 98.1 | Very high | 96.4 | Very high | 92 Ų | 92 | 52.8 Ų | 52.8 | 40% | 0.4 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 179.4 | -174.3 | 176.8 | -179.1 | -178.9 | 0 | 111.5 | D132 T133 G138 D139 Y140 | D132-K136 WeakPolarHBondContact O-CB 3.39Å; D132-K136 PolarHBondContact O-N 2.94Å; T133-K136 PolarHBondContact O-N 2.86Å; K136-G138 PolarHBondContact O-N 3.32Å; K136-D139 PolarHBondContact O-N 2.84Å; K136-Y140 HydrophobicContact CD-CE2 4.26Å; K136-Y140 VanDerWaalsContact CE-CZ 3.46Å; K136-Y140 WeakPolarHBondContact CE-OH 3.44Å; K136-Y140 HydrophobicContact CG-CD2 4.29Å; K136-Y140 HydrophobicContact CG-CE1 4.25Å; K136-Y140 HydrophobicContact CG-CE2 3.81Å; K136-Y140 WeakPolarHBondContact O-CB 3.34Å; K136-Y140 VanDerWaalsContact O-CG 3.24Å; K136-Y140 PolarHBondContact O-N 3.46Å |
| 137 | L | 98.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 176.8 | -70.4 | 171.7 | 0 | 0 | 0 | 112.1 | F43 L89 L93 Q96 T133 K135 D139 Y140 I141 | F43-L137 HydrophobicContact CE1-CD2 4.21Å; F43-L137 HydrophobicContact CZ-CD2 4Å; L89-L137 HydrophobicContact CD2-CD2 3.78Å; L93-L137 HydrophobicContact CB-CB 4.16Å; L93-L137 HydrophobicContact CB-CD1 4.47Å; L93-L137 HydrophobicContact CD1-CB 4.07Å; Q96-L137 HydrophobicContact CB-CD1 4.29Å; T133-L137 HydrophobicContact CG2-CD1 3.89Å; T133-L137 HydrophobicContact CG2-CG 4.35Å; T133-L137 WeakPolarHBondContact O-CB 3.39Å; T133-L137 WeakPolarHBondContact O-CG 2.95Å; T133-L137 PolarHBondContact O-N 2.88Å; K135-L137 PolarHBondContact O-N 2.97Å; L137-D139 VanDerWaalsContact C-N 3.34Å; L137-D139 PolarHBondContact O-N 3.07Å; L137-Y140 PolarHBondContact O-N 3.49Å; L137-I141 VanDerWaalsContact O-CG1 3.3Å; L137-I141 WeakPolarHBondContact O-CG1 3.2Å; L137-I141 PolarHBondContact O-N 2.98Å |
| 138 | G | 98.4 | Very high | 95.9 | Very high | 20 Ų | 20 | 56.9 Ų | 56.9 | 21% | 0.206 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I134 K135 K136 S142 | I134-G138 PolarHBondContact O-N 2.9Å; K135-G138 PolarHBondContact O-N 3.3Å; K136-G138 PolarHBondContact O-N 3.32Å; G138-S142 WeakPolarHBondContact O-CB 3.48Å; G138-S142 PolarHBondContact O-N 3.2Å; G138-S142 PolarHBondContact O-OG 3.38Å |
| 139 | D | 98.4 | Very high | 95.5 | Very high | 65 Ų | 65 | 56.6 Ų | 56.6 | 35% | 0.348 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.3 | -45.6 | 174.6 | -70 | -19.9 | 0 | 0 | 0 | 111.2 | K135 K136 L137 I141 S142 I143 | K135-D139 IonicContact NZ-OD1 2.65Å; K135-D139 PolarHBondContact NZ-OD1 3.38Å; K135-D139 IonicContact NZ-OD2 2.61Å; K135-D139 PolarHBondContact NZ-OD2 3.16Å; K135-D139 PolarHBondContact O-N 2.98Å; K136-D139 PolarHBondContact O-N 2.84Å; L137-D139 VanDerWaalsContact C-N 3.34Å; L137-D139 PolarHBondContact O-N 3.07Å; D139-I141 PolarHBondContact O-N 3.48Å; D139-S142 WeakPolarHBondContact O-CB 3.3Å; D139-S142 PolarHBondContact O-N 3.02Å; D139-S142 VanDerWaalsContact O-N 3.14Å; D139-I143 VanDerWaalsContact O-CG1 3.26Å; D139-I143 WeakPolarHBondContact O-CG1 3.41Å; D139-I143 PolarHBondContact O-N 3.4Å |
| 140 | Y | 98.3 | Very high | 94.9 | Very high | 30 Ų | 30 | 57.6 Ų | 57.6 | 12% | 0.118 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.3 | -46.3 | 177.9 | -73 | -5.9 | 0 | 0 | 0 | 112.4 | F43 L89 K136 L137 S142 I143 L144 F161 T165 L166 | F43-Y140 HydrophobicContact CD2-CE2 4.44Å; F43-Y140 AromaticContact CE2-CE2 3.87Å; F43-Y140 HydrophobicContact CE2-CE2 3.87Å; F43-Y140 HydrophobicContact CZ-CD2 4.38Å; F43-Y140 HydrophobicContact CZ-CE2 4.08Å; L89-Y140 HydrophobicContact CD2-CD2 4.12Å; K136-Y140 HydrophobicContact CD-CE2 4.26Å; K136-Y140 VanDerWaalsContact CE-CZ 3.46Å; K136-Y140 WeakPolarHBondContact CE-OH 3.44Å; K136-Y140 HydrophobicContact CG-CD2 4.29Å; K136-Y140 HydrophobicContact CG-CE1 4.25Å; K136-Y140 HydrophobicContact CG-CE2 3.81Å; K136-Y140 WeakPolarHBondContact O-CB 3.34Å; K136-Y140 VanDerWaalsContact O-CG 3.24Å; K136-Y140 PolarHBondContact O-N 3.46Å; L137-Y140 PolarHBondContact O-N 3.49Å; Y140-S142 VanDerWaalsContact C-N 3.31Å; Y140-S142 PolarHBondContact O-N 2.87Å; Y140-I143 PolarHBondContact O-N 3.34Å; Y140-L144 WeakPolarHBondContact O-CB 3.48Å; Y140-L144 PolarHBondContact O-N 2.96Å; Y140-F161 HydrophobicContact CD1-CE2 4.37Å; Y140-F161 AromaticContact CD1-CZ 3.8Å; Y140-F161 HydrophobicContact CD1-CZ 3.8Å; Y140-F161 HydrophobicContact CD2-CZ 4.21Å; Y140-F161 HydrophobicContact CE1-CZ 4.45Å; Y140-F161 AromaticContact CG-CZ 3.65Å; Y140-F161 HydrophobicContact CG-CZ 3.65Å; Y140-T165 HydrophobicContact CD1-CG2 3.99Å; Y140-T165 HydrophobicContact CE1-CG2 3.65Å; Y140-L166 HydrophobicContact CD2-CD2 4.05Å; Y140-L166 HydrophobicContact CE2-CD2 3.48Å; Y140-L166 VanDerWaalsContact CE2-CD2 3.48Å |
| 141 | I | 97.8 | Very high | 94.1 | Very high | 27 Ų | 27 | 66.2 Ų | 66.2 | 14% | 0.138 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 173.9 | -69 | 165.1 | 0 | 0 | 0 | 110.5 | L86 L89 L93 L137 D139 I143 L144 T145 | L86-I141 HydrophobicContact CD1-CG2 4.03Å; L89-I141 HydrophobicContact CB-CD1 4.42Å; L89-I141 HydrophobicContact CB-CG1 3.73Å; L93-I141 HydrophobicContact CB-CD1 3.89Å; L93-I141 HydrophobicContact CD2-CD1 3.56Å; L93-I141 HydrophobicContact CG-CD1 4.36Å; L137-I141 VanDerWaalsContact O-CG1 3.3Å; L137-I141 WeakPolarHBondContact O-CG1 3.2Å; L137-I141 PolarHBondContact O-N 2.98Å; D139-I141 PolarHBondContact O-N 3.48Å; I141-I143 PolarHBondContact O-N 3.41Å; I141-L144 PolarHBondContact O-N 2.85Å; I141-T145 VanDerWaalsContact O-CB 3.23Å; I141-T145 WeakPolarHBondContact O-CB 3.27Å; I141-T145 PolarHBondContact O-N 3.4Å; I141-T145 PolarHBondContact O-OG1 3.28Å |
| 142 | S | 97.2 | Very high | 92.9 | Very high | 60 Ų | 60 | 66.6 Ų | 66.6 | 42% | 0.42 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | -178.5 | -61.3 | 0 | 0 | 0 | 0 | 112.5 | G138 D139 Y140 R146 | G138-S142 WeakPolarHBondContact O-CB 3.48Å; G138-S142 PolarHBondContact O-N 3.2Å; G138-S142 PolarHBondContact O-OG 3.38Å; D139-S142 WeakPolarHBondContact O-CB 3.3Å; D139-S142 PolarHBondContact O-N 3.02Å; D139-S142 VanDerWaalsContact O-N 3.14Å; Y140-S142 VanDerWaalsContact C-N 3.31Å; Y140-S142 PolarHBondContact O-N 2.87Å; S142-R146 WeakPolarHBondContact O-CB 3.43Å; S142-R146 PolarHBondContact O-N 3.49Å; S142-R146 PolarHBondContact O-NH2 3.03Å |
| 143 | I | 95.3 | Very high | 91.5 | Very high | 59 Ų | 59 | 66.5 Ų | 66.5 | 30% | 0.303 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.1 | -51.7 | 176.6 | -68.1 | 162.5 | 0 | 0 | 0 | 109.7 | D139 Y140 I141 T145 R146 L147 F161 | D139-I143 VanDerWaalsContact O-CG1 3.26Å; D139-I143 WeakPolarHBondContact O-CG1 3.41Å; D139-I143 PolarHBondContact O-N 3.4Å; Y140-I143 PolarHBondContact O-N 3.34Å; I141-I143 PolarHBondContact O-N 3.41Å; I143-T145 VanDerWaalsContact C-N 3.35Å; I143-T145 PolarHBondContact O-N 2.87Å; I143-R146 WeakPolarHBondContact O-CB 3.29Å; I143-R146 PolarHBondContact O-N 3.45Å; I143-R146 VanDerWaalsContact O-N 3.13Å; I143-L147 HydrophobicContact CG2-CD1 3.99Å; I143-L147 HydrophobicContact CG2-CG 4.44Å; I143-L147 WeakPolarHBondContact O-CG 3.36Å; I143-L147 PolarHBondContact O-N 3.28Å; I143-F161 HydrophobicContact CB-CD2 4.5Å; I143-F161 HydrophobicContact CB-CE2 4.03Å; I143-F161 HydrophobicContact CG2-CD2 3.85Å; I143-F161 HydrophobicContact CG2-CE2 3.81Å |
| 144 | L | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.2 | -38.3 | -176.6 | -175.1 | 57.3 | 0 | 0 | 0 | 112.1 | F40 L86 L89 Y140 I141 R146 L147 S148 A157 E158 F161 | F40-L144 HydrophobicContact CZ-CD2 4.32Å; L86-L144 HydrophobicContact CB-CD2 3.88Å; L86-L144 HydrophobicContact CB-CG 4.42Å; L86-L144 HydrophobicContact CD1-CB 4.37Å; L86-L144 HydrophobicContact CD1-CD2 4.3Å; L86-L144 HydrophobicContact CD1-CG 4.38Å; L89-L144 HydrophobicContact CD1-CD2 4.03Å; Y140-L144 WeakPolarHBondContact O-CB 3.48Å; Y140-L144 PolarHBondContact O-N 2.96Å; I141-L144 PolarHBondContact O-N 2.85Å; L144-R146 VanDerWaalsContact C-N 3.3Å; L144-R146 PolarHBondContact O-N 3.35Å; L144-L147 PolarHBondContact O-N 2.91Å; L144-S148 VanDerWaalsContact O-CB 3.32Å; L144-S148 WeakPolarHBondContact O-CB 3.36Å; L144-S148 PolarHBondContact O-N 3.33Å; L144-S148 PolarHBondContact O-OG 2.91Å; L144-A157 HydrophobicContact CD1-CB 4.25Å; L144-E158 HydrophobicContact CD1-CG 4.18Å; L144-F161 HydrophobicContact CB-CD2 4.08Å; L144-F161 HydrophobicContact CB-CE2 4.27Å; L144-F161 HydrophobicContact CB-CG 4.49Å; L144-F161 HydrophobicContact CD1-CB 3.84Å; L144-F161 HydrophobicContact CD1-CD2 4.33Å; L144-F161 HydrophobicContact CD1-CG 4.07Å |
| 145 | T | 94.6 | Very high | 89.4 | Confident | 58 Ų | 58 | 71.6 Ų | 71.6 | 36% | 0.356 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 173.7 | -59 | 0 | 0 | 0 | 0 | 111.5 | I141 I143 S148 S149 | I141-T145 VanDerWaalsContact O-CB 3.23Å; I141-T145 WeakPolarHBondContact O-CB 3.27Å; I141-T145 PolarHBondContact O-N 3.4Å; I141-T145 PolarHBondContact O-OG1 3.28Å; I143-T145 VanDerWaalsContact C-N 3.35Å; I143-T145 PolarHBondContact O-N 2.87Å; T145-S148 PolarHBondContact O-N 3.39Å; T145-S149 WeakPolarHBondContact O-CB 3.28Å; T145-S149 PolarHBondContact O-N 3.13Å; T145-S149 PolarHBondContact O-OG 3.47Å |
| 146 | R | 92.7 | Very high | 89 | Confident | 166 Ų | 166 | 69.6 Ų | 69.6 | 63% | 0.626 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -68.9 | -43 | 179.1 | -163.2 | -168.9 | -30.4 | -72.5 | -8 | 111.7 | S142 I143 L144 S148 S149 S150 | S142-R146 WeakPolarHBondContact O-CB 3.43Å; S142-R146 PolarHBondContact O-N 3.49Å; S142-R146 PolarHBondContact O-NH2 3.03Å; I143-R146 WeakPolarHBondContact O-CB 3.29Å; I143-R146 PolarHBondContact O-N 3.45Å; I143-R146 VanDerWaalsContact O-N 3.13Å; L144-R146 VanDerWaalsContact C-N 3.3Å; L144-R146 PolarHBondContact O-N 3.35Å; R146-S148 VanDerWaalsContact C-N 3.34Å; R146-S149 PolarHBondContact O-N 2.71Å; R146-S150 PolarHBondContact O-N 2.87Å |
| 147 | L | 91.3 | Very high | 88.7 | Confident | 55 Ų | 55 | 65.3 Ų | 65.3 | 29% | 0.288 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 175.2 | -70.6 | 173.7 | 0 | 0 | 0 | 111 | I143 L144 S149 S150 A157 F161 | I143-L147 HydrophobicContact CG2-CD1 3.99Å; I143-L147 HydrophobicContact CG2-CG 4.44Å; I143-L147 WeakPolarHBondContact O-CG 3.36Å; I143-L147 PolarHBondContact O-N 3.28Å; L144-L147 PolarHBondContact O-N 2.91Å; L147-S149 VanDerWaalsContact C-N 3.29Å; L147-S149 PolarHBondContact O-N 3.45Å; L147-S150 WeakPolarHBondContact O-CB 3.32Å; L147-S150 PolarHBondContact O-N 3.34Å; L147-S150 VanDerWaalsContact O-N 3.17Å; L147-A157 HydrophobicContact CB-CB 3.71Å; L147-F161 HydrophobicContact CD1-CB 4.32Å; L147-F161 HydrophobicContact CD1-CD2 4.3Å |
| 148 | S | 89.1 | Confident | 88.5 | Confident | 50 Ų | 50 | 68.1 Ų | 68.1 | 35% | 0.35 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.5 | -32.9 | 179.6 | -56 | 0 | 0 | 0 | 0 | 112.5 | L144 T145 R146 S150 G154 | L144-S148 VanDerWaalsContact O-CB 3.32Å; L144-S148 WeakPolarHBondContact O-CB 3.36Å; L144-S148 PolarHBondContact O-N 3.33Å; L144-S148 PolarHBondContact O-OG 2.91Å; T145-S148 PolarHBondContact O-N 3.39Å; R146-S148 VanDerWaalsContact C-N 3.34Å; S148-S150 VanDerWaalsContact C-N 3.31Å; S148-G154 WeakPolarHBondContact O-CA 3.33Å |
| 149 | S | 88.3 | Confident | 88.2 | Confident | 94 Ų | 94 | 72.7 Ų | 72.7 | 66% | 0.657 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -6.5 | 177.3 | -55.7 | 0 | 0 | 0 | 0 | 114 | T145 R146 L147 E151 | T145-S149 WeakPolarHBondContact O-CB 3.28Å; T145-S149 PolarHBondContact O-N 3.13Å; T145-S149 PolarHBondContact O-OG 3.47Å; R146-S149 PolarHBondContact O-N 2.71Å; L147-S149 VanDerWaalsContact C-N 3.29Å; L147-S149 PolarHBondContact O-N 3.45Å; S149-E151 PolarHBondContact O-N 3.37Å |
| 150 | S | 81.1 | Confident | 88 | Confident | 61 Ų | 61 | 71.8 Ų | 71.8 | 43% | 0.427 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -89.4 | 107 | -176 | -170.7 | 0 | 0 | 0 | 0 | 110.9 | R146 L147 S148 H153 G154 | R146-S150 PolarHBondContact O-N 2.87Å; L147-S150 WeakPolarHBondContact O-CB 3.32Å; L147-S150 PolarHBondContact O-N 3.34Å; L147-S150 VanDerWaalsContact O-N 3.17Å; S148-S150 VanDerWaalsContact C-N 3.31Å; S150-H153 CarbonylContact O-C 3.48Å; S150-H153 PolarHBondContact O-N 3.42Å; S150-G154 PolarHBondContact O-N 3.47Å |
| 151 | E | 76.1 | Confident | 87.9 | Confident | 181 Ų | 181 | 70.4 Ų | 70.4 | 85% | 0.846 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 145.7 | 167.9 | -66.7 | -150.5 | 161.2 | 0 | 0 | 111.7 | S149 | S149-E151 PolarHBondContact O-N 3.37Š|
| 152 | P | 70.8 | Confident | 87.8 | Confident | 105 Ų | 105 | 69.1 Ų | 69.1 | 68% | 0.682 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -88.6 | 6.4 | -0.2 | 35.9 | -34.8 | 0 | 0 | 0 | 114.2 | ||
| 153 | H | 67.8 | Low | 87.7 | Confident | 105 Ų | 105 | 71.3 Ų | 71.3 | 49% | 0.486 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 5 | -167 | -61 | -60.8 | 0 | 0 | 0 | 115.6 | S150 S155 M156 A157 | S150-H153 CarbonylContact O-C 3.48Å; S150-H153 PolarHBondContact O-N 3.42Å; H153-S155 PolarHBondContact O-N 2.89Å; H153-S155 VanDerWaalsContact O-N 3.13Å; H153-M156 WeakPolarHBondContact O-CA 3.46Å; H153-M156 PolarHBondContact O-N 2.94Å; H153-A157 PolarHBondContact O-N 3.42Å |
| 154 | G | 73.6 | Confident | 87.7 | Confident | 25 Ų | 25 | 75.6 Ų | 75.6 | 26% | 0.258 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -55.3 | -32.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | S148 S150 M156 A157 | S148-G154 WeakPolarHBondContact O-CA 3.33Å; S150-G154 PolarHBondContact O-N 3.47Å; G154-M156 VanDerWaalsContact C-N 3.26Å; G154-M156 PolarHBondContact O-N 3.13Å; G154-A157 VanDerWaalsContact O-CB 3.28Å; G154-A157 WeakPolarHBondContact O-CB 3.26Å; G154-A157 PolarHBondContact O-N 3.36Å |
| 155 | S | 77.2 | Confident | 87.6 | Confident | 125 Ų | 125 | 77.9 Ų | 77.9 | 87% | 0.874 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -70.6 | -16.6 | 175.2 | 57 | 0 | 0 | 0 | 0 | 114.5 | H153 | H153-S155 PolarHBondContact O-N 2.89Å; H153-S155 VanDerWaalsContact O-N 3.13Å |
| 156 | M | 89.8 | Confident | 87.5 | Confident | 80 Ų | 80 | 77.7 Ų | 77.7 | 39% | 0.394 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -105.8 | 4.5 | 178.1 | -155.1 | 163.2 | 73.8 | 0 | 0 | 112.2 | H153 G154 E158 Y159 L160 | H153-M156 WeakPolarHBondContact O-CA 3.46Å; H153-M156 PolarHBondContact O-N 2.94Å; G154-M156 VanDerWaalsContact C-N 3.26Å; G154-M156 PolarHBondContact O-N 3.13Å; M156-E158 PolarHBondContact O-N 2.85Å; M156-Y159 HydrophobicContact CG-CD1 3.9Å; M156-Y159 HydrophobicContact CG-CG 4.37Å; M156-Y159 PolarHBondContact O-N 3.5Å; M156-Y159 HydrophobicContact SD-CD1 4.4Å; M156-L160 HydrophobicContact CE-CD1 3.98Å; M156-L160 HydrophobicContact CE-CD2 4.04Å; M156-L160 HydrophobicContact CE-CG 4.06Å; M156-L160 HydrophobicContact CG-CG 4.22Å; M156-L160 WeakPolarHBondContact O-CG 3.43Å; M156-L160 PolarHBondContact O-N 2.61Å |
| 157 | A | 92.6 | Very high | 87.2 | Confident | 2 Ų | 2 | 73.3 Ų | 73.3 | 2% | 0.017 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.8 | -48.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L144 L147 H153 G154 Y159 L160 F161 | L144-A157 HydrophobicContact CD1-CB 4.25Å; L147-A157 HydrophobicContact CB-CB 3.71Å; H153-A157 PolarHBondContact O-N 3.42Å; G154-A157 VanDerWaalsContact O-CB 3.28Å; G154-A157 WeakPolarHBondContact O-CB 3.26Å; G154-A157 PolarHBondContact O-N 3.36Å; A157-Y159 PolarHBondContact O-N 3.41Å; A157-L160 PolarHBondContact O-N 2.84Å; A157-F161 VanDerWaalsContact O-CB 3.27Å; A157-F161 WeakPolarHBondContact O-CB 3.46Å; A157-F161 PolarHBondContact O-N 3.37Å |
| 158 | E | 92.8 | Very high | 87 | Confident | 62 Ų | 62 | 74.3 Ų | 74.3 | 29% | 0.29 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 179.3 | -65.5 | -166.1 | 156.9 | 0 | 0 | 112 | L37 G85 L144 M156 F161 D162 | L37-E158 HydrophobicContact CD1-CB 4.31Å; G85-E158 PolarHBondContact N-OE1 3.11Å; L144-E158 HydrophobicContact CD1-CG 4.18Å; M156-E158 PolarHBondContact O-N 2.85Å; E158-F161 PolarHBondContact O-N 3.04Å; E158-D162 WeakPolarHBondContact O-CB 3.23Å; E158-D162 PolarHBondContact O-N 3.23Å |
| 159 | Y | 93.9 | Very high | 86.9 | Confident | 117 Ų | 117 | 75.6 Ų | 75.6 | 46% | 0.459 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 175.9 | 176.8 | -97.6 | 0 | 0 | 0 | 111.9 | M156 A157 F161 D162 R163 | M156-Y159 HydrophobicContact CG-CD1 3.9Å; M156-Y159 HydrophobicContact CG-CG 4.37Å; M156-Y159 PolarHBondContact O-N 3.5Å; M156-Y159 HydrophobicContact SD-CD1 4.4Å; A157-Y159 PolarHBondContact O-N 3.41Å; Y159-F161 VanDerWaalsContact C-N 3.3Å; Y159-F161 PolarHBondContact O-N 3.14Å; Y159-D162 PolarHBondContact O-N 2.69Å; Y159-R163 HydrophobicContact CD1-CG 4.48Å; Y159-R163 HydrophobicContact CD2-CG 4.41Å; Y159-R163 HydrophobicContact CE1-CG 4.05Å; Y159-R163 HydrophobicContact CE2-CG 3.97Å; Y159-R163 VanDerWaalsContact O-CG 3.29Å; Y159-R163 WeakPolarHBondContact O-CG 3.42Å; Y159-R163 PolarHBondContact O-N 3.45Å |
| 160 | L | 94.2 | Very high | 86.8 | Confident | 46 Ų | 46 | 74.5 Ų | 74.5 | 24% | 0.241 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 178 | -72.5 | 172.7 | 0 | 0 | 0 | 111.6 | M156 A157 R163 H164 | M156-L160 HydrophobicContact CE-CD1 3.98Å; M156-L160 HydrophobicContact CE-CD2 4.04Å; M156-L160 HydrophobicContact CE-CG 4.06Å; M156-L160 HydrophobicContact CG-CG 4.22Å; M156-L160 WeakPolarHBondContact O-CG 3.43Å; M156-L160 PolarHBondContact O-N 2.61Å; A157-L160 PolarHBondContact O-N 2.84Å; L160-R163 PolarHBondContact O-N 2.65Å; L160-H164 WeakPolarHBondContact O-CB 3.5Å; L160-H164 PolarHBondContact O-CD2 3.4Å; L160-H164 PolarHBondContact O-N 3Å |
| 161 | F | 95.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.9 | -47.3 | 177.2 | -171.2 | -88.6 | 0 | 0 | 0 | 111.6 | F40 L89 Y140 I143 L144 L147 A157 E158 Y159 R163 H164 T165 L166 | F40-F161 HydrophobicContact CE1-CD1 4.29Å; F40-F161 HydrophobicContact CE1-CE1 4.18Å; F40-F161 AromaticContact CE2-CD1 3.58Å; F40-F161 HydrophobicContact CE2-CD1 3.58Å; F40-F161 HydrophobicContact CE2-CE1 4.25Å; F40-F161 AromaticContact CZ-CD1 3.34Å; F40-F161 HydrophobicContact CZ-CD1 3.34Å; F40-F161 AromaticContact CZ-CE1 3.64Å; F40-F161 HydrophobicContact CZ-CE1 3.64Å; F40-F161 HydrophobicContact CZ-CG 4.42Å; L89-F161 HydrophobicContact CD1-CE1 4.21Å; L89-F161 HydrophobicContact CD1-CZ 4.34Å; Y140-F161 HydrophobicContact CD1-CE2 4.37Å; Y140-F161 AromaticContact CD1-CZ 3.8Å; Y140-F161 HydrophobicContact CD1-CZ 3.8Å; Y140-F161 HydrophobicContact CD2-CZ 4.21Å; Y140-F161 HydrophobicContact CE1-CZ 4.45Å; Y140-F161 AromaticContact CG-CZ 3.65Å; Y140-F161 HydrophobicContact CG-CZ 3.65Å; I143-F161 HydrophobicContact CB-CD2 4.5Å; I143-F161 HydrophobicContact CB-CE2 4.03Å; I143-F161 HydrophobicContact CG2-CD2 3.85Å; I143-F161 HydrophobicContact CG2-CE2 3.81Å; L144-F161 HydrophobicContact CB-CD2 4.08Å; L144-F161 HydrophobicContact CB-CE2 4.27Å; L144-F161 HydrophobicContact CB-CG 4.49Å; L144-F161 HydrophobicContact CD1-CB 3.84Å; L144-F161 HydrophobicContact CD1-CD2 4.33Å; L144-F161 HydrophobicContact CD1-CG 4.07Å; L147-F161 HydrophobicContact CD1-CB 4.32Å; L147-F161 HydrophobicContact CD1-CD2 4.3Å; A157-F161 VanDerWaalsContact O-CB 3.27Å; A157-F161 WeakPolarHBondContact O-CB 3.46Å; A157-F161 PolarHBondContact O-N 3.37Å; E158-F161 PolarHBondContact O-N 3.04Å; Y159-F161 VanDerWaalsContact C-N 3.3Å; Y159-F161 PolarHBondContact O-N 3.14Å; F161-R163 VanDerWaalsContact C-N 3.27Å; F161-R163 PolarHBondContact O-N 3.39Å; F161-H164 PolarHBondContact O-N 3.17Å; F161-T165 HydrophobicContact CD2-CG2 4.14Å; F161-T165 HydrophobicContact CE1-CG2 4.43Å; F161-T165 HydrophobicContact CE2-CG2 3.55Å; F161-T165 HydrophobicContact CZ-CG2 3.71Å; F161-T165 WeakPolarHBondContact O-CB 3.44Å; F161-T165 PolarHBondContact O-N 3.49Å; F161-L166 HydrophobicContact CD1-CD1 3.94Å; F161-L166 HydrophobicContact CD1-CG 3.91Å; F161-L166 HydrophobicContact CE1-CD1 3.72Å; F161-L166 HydrophobicContact CE1-CD2 3.84Å; F161-L166 HydrophobicContact CE1-CG 3.51Å; F161-L166 HydrophobicContact CZ-CD2 4.43Å; F161-L166 HydrophobicContact CZ-CG 4.42Å; F161-L166 PolarHBondContact O-N 3.31Å |
| 162 | D | 96.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56.5 | -41.3 | 174.8 | -177.3 | 86.5 | 0 | 0 | 0 | 111.7 | L37 H39 F40 E158 Y159 | L37-D162 VanDerWaalsContact C-OD1 3.24Å; L37-D162 HydrophobicContact CD2-CB 4Å; H39-D162 WeakPolarHBondContact CA-OD1 3.42Å; H39-D162 WeakPolarHBondContact CB-O 3.45Å; H39-D162 WeakPolarHBondContact CB-OD1 3.32Å; H39-D162 IonicContact CE1-OD2 2.92Å; H39-D162 IonicContact CG-OD2 3.88Å; H39-D162 PolarHBondContact N-OD1 2.91Å; H39-D162 PolarHBondContact ND1-O 3.19Å; H39-D162 VanDerWaalsContact ND1-O 3.16Å; H39-D162 IonicContact ND1-OD1 3.55Å; H39-D162 IonicContact ND1-OD2 3.68Å; H39-D162 PolarHBondContact ND1-OD2 3.09Å; F40-D162 HydrophobicContact CD2-CB 3.95Å; F40-D162 HydrophobicContact CE2-CB 4.22Å; F40-D162 PolarHBondContact N-OD1 2.88Å; E158-D162 WeakPolarHBondContact O-CB 3.23Å; E158-D162 PolarHBondContact O-N 3.23Å; Y159-D162 PolarHBondContact O-N 2.69Å |
| 163 | R | 94.6 | Very high | 89.2 | Confident | 105 Ų | 105 | 65.7 Ų | 65.7 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -82.9 | -26.6 | -175.2 | -67.1 | -58.7 | -166.7 | -147.3 | 4.6 | 115.6 | H39 Y159 L160 F161 | H39-R163 PolarHBondContact CE1-NH1 2.91Å; Y159-R163 HydrophobicContact CD1-CG 4.48Å; Y159-R163 HydrophobicContact CD2-CG 4.41Å; Y159-R163 HydrophobicContact CE1-CG 4.05Å; Y159-R163 HydrophobicContact CE2-CG 3.97Å; Y159-R163 VanDerWaalsContact O-CG 3.29Å; Y159-R163 WeakPolarHBondContact O-CG 3.42Å; Y159-R163 PolarHBondContact O-N 3.45Å; L160-R163 PolarHBondContact O-N 2.65Å; F161-R163 VanDerWaalsContact C-N 3.27Å; F161-R163 PolarHBondContact O-N 3.39Å |
| 164 | H | 93.9 | Very high | 90.8 | Very high | 149 Ų | 149 | 62.7 Ų | 62.7 | 69% | 0.69 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -124.3 | -7.5 | -167.2 | -62.5 | -63 | 0 | 0 | 0 | 114.5 | L160 F161 | L160-H164 WeakPolarHBondContact O-CB 3.5Å; L160-H164 PolarHBondContact O-CD2 3.4Å; L160-H164 PolarHBondContact O-N 3Å; F161-H164 PolarHBondContact O-N 3.17Å |
| 165 | T | 93.8 | Very high | 92.2 | Very high | 48 Ų | 48 | 65.8 Ų | 65.8 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | -38.2 | -180 | -52.3 | 0 | 0 | 0 | 0 | 113.1 | Y140 F161 | Y140-T165 HydrophobicContact CD1-CG2 3.99Å; Y140-T165 HydrophobicContact CE1-CG2 3.65Å; F161-T165 HydrophobicContact CD2-CG2 4.14Å; F161-T165 HydrophobicContact CE1-CG2 4.43Å; F161-T165 HydrophobicContact CE2-CG2 3.55Å; F161-T165 HydrophobicContact CZ-CG2 3.71Å; F161-T165 WeakPolarHBondContact O-CB 3.44Å; F161-T165 PolarHBondContact O-N 3.49Å |
| 166 | L | 92.3 | Very high | 93.6 | Very high | 55 Ų | 55 | 60.5 Ų | 60.5 | 29% | 0.288 | 28% | 0.279 | S | S | . | . | trans | -91 | 0 | 177.4 | -64.5 | -179.1 | 0 | 0 | 0 | 113 | H39 F40 F43 Y140 F161 | H39-L166 HydrophobicContact CB-CB 3.68Å; F40-L166 HydrophobicContact CB-CD1 4.09Å; F40-L166 HydrophobicContact CD1-CD1 3.43Å; F40-L166 VanDerWaalsContact CD1-CD1 3.43Å; F40-L166 HydrophobicContact CD2-CD1 3.44Å; F40-L166 VanDerWaalsContact CD2-CD1 3.44Å; F40-L166 HydrophobicContact CE1-CD1 3.62Å; F40-L166 HydrophobicContact CE2-CD1 3.63Å; F40-L166 HydrophobicContact CG-CD1 3.35Å; F40-L166 HydrophobicContact CZ-CD1 3.72Å; F43-L166 HydrophobicContact CB-CD2 4.3Å; F43-L166 HydrophobicContact CD2-CD2 4.14Å; F43-L166 HydrophobicContact CG-CD2 4.06Å; Y140-L166 HydrophobicContact CD2-CD2 4.05Å; Y140-L166 HydrophobicContact CE2-CD2 3.48Å; Y140-L166 VanDerWaalsContact CE2-CD2 3.48Å; F161-L166 HydrophobicContact CD1-CD1 3.94Å; F161-L166 HydrophobicContact CD1-CG 3.91Å; F161-L166 HydrophobicContact CE1-CD1 3.72Å; F161-L166 HydrophobicContact CE1-CD2 3.84Å; F161-L166 HydrophobicContact CE1-CG 3.51Å; F161-L166 HydrophobicContact CZ-CD2 4.43Å; F161-L166 HydrophobicContact CZ-CG 4.42Å; F161-L166 PolarHBondContact O-N 3.31Å |
Retrieved 166 of 166 residues in 436.3 ms
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