| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 92.2 | Very high | 96.9 | Very high | 75 Ų | 75 | 69.8 Ų | 69.8 | 37% | 0.369 | 38% | 0.379 | S | S | . | . | 0 | -59 | 0 | -170.7 | 60.6 | 84.5 | 0 | 0 | 109.5 | G3 V4 I5 N31 H33 L36 | M1-G3 PolarHBondContact O-N 3.46Å; M1-V4 WeakPolarHBondContact O-CB 3.44Å; M1-V4 PolarHBondContact O-N 3.21Å; M1-I5 HydrophobicContact CG-CD1 3.7Å; M1-I5 HydrophobicContact CG-CG1 4.37Å; M1-I5 PolarHBondContact O-N 3.48Å; M1-I5 VanDerWaalsContact O-N 3.1Å; M1-I5 HydrophobicContact SD-CD1 4.18Å; M1-I5 HydrophobicContact SD-CG1 4.45Å; M1-N31 WeakPolarHBondContact CE-ND2 3.31Å; M1-H33 HydrophobicContact CE-CB 3.49Å; M1-H33 VanDerWaalsContact CE-CB 3.49Å; M1-L36 HydrophobicContact CE-CD1 3.83Å; M1-L36 HydrophobicContact CE-CG 3.95Å; M1-L36 HydrophobicContact SD-CD1 3.83Å; M1-L36 HydrophobicContact SD-CD2 3.61Å; M1-L36 HydrophobicContact SD-CG 3.62Å | |||
| 2 | D | 92.8 | Very high | 97 | Very high | 127 Ų | 127 | 66.3 Ų | 66.3 | 68% | 0.679 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -54.5 | -44 | -173.9 | -52.1 | -12.5 | 0 | 0 | 0 | 114 | V4 I5 T6 | D2-V4 VanDerWaalsContact C-N 3.31Å; D2-V4 PolarHBondContact O-N 3.31Å; D2-I5 PolarHBondContact O-N 3.03Å; D2-T6 WeakPolarHBondContact O-CB 3.45Å; D2-T6 PolarHBondContact O-N 3.49Å; D2-T6 PolarHBondContact O-OG1 3.46Å; D2-T6 VanDerWaalsContact O-OG1 3.07Å |
| 3 | G | 96.3 | Very high | 96.8 | Very high | 57 Ų | 57 | 68.3 Ų | 68.3 | 59% | 0.588 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -59.8 | -37.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | M1 E7 | M1-G3 PolarHBondContact O-N 3.46Å; G3-E7 WeakPolarHBondContact O-CB 3.42Å; G3-E7 PolarHBondContact O-N 3.48Å; G3-E7 VanDerWaalsContact O-N 3.07Å |
| 4 | V | 97.2 | Very high | 96.9 | Very high | 44 Ų | 44 | 68.4 Ų | 68.4 | 27% | 0.267 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.5 | -43.8 | 176.2 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | M1 D2 E7 W8 V23 A27 L36 | M1-V4 WeakPolarHBondContact O-CB 3.44Å; M1-V4 PolarHBondContact O-N 3.21Å; D2-V4 VanDerWaalsContact C-N 3.31Å; D2-V4 PolarHBondContact O-N 3.31Å; V4-E7 PolarHBondContact O-N 3.36Å; V4-W8 VanDerWaalsContact O-CB 3.29Å; V4-W8 WeakPolarHBondContact O-CB 3.39Å; V4-W8 PolarHBondContact O-N 2.94Å; V4-V23 HydrophobicContact CG1-CG1 3.77Å; V4-A27 HydrophobicContact CB-CB 4.43Å; V4-A27 HydrophobicContact CG1-CB 3.56Å; V4-A27 HydrophobicContact CG2-CB 4.13Å; V4-L36 HydrophobicContact CG1-CD2 3.96Å |
| 5 | I | 97.7 | Very high | 96.8 | Very high | 24 Ų | 24 | 72 Ų | 72 | 12% | 0.123 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 179.9 | -71.6 | 176.2 | 0 | 0 | 0 | 110.9 | M1 D2 W8 Q9 E35 R39 | M1-I5 HydrophobicContact CG-CD1 3.7Å; M1-I5 HydrophobicContact CG-CG1 4.37Å; M1-I5 PolarHBondContact O-N 3.48Å; M1-I5 VanDerWaalsContact O-N 3.1Å; M1-I5 HydrophobicContact SD-CD1 4.18Å; M1-I5 HydrophobicContact SD-CG1 4.45Å; D2-I5 PolarHBondContact O-N 3.03Å; I5-W8 PolarHBondContact O-N 3.25Å; I5-Q9 WeakPolarHBondContact O-CB 3.42Å; I5-Q9 PolarHBondContact O-N 2.98Å; I5-E35 HydrophobicContact CD1-CB 4.28Å; I5-R39 VanDerWaalsContact CG2-NH2 3.33Å |
| 6 | T | 98.2 | Very high | 96.8 | Very high | 91 Ų | 91 | 74 Ų | 74 | 56% | 0.558 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.7 | -44.2 | 177.7 | -61.9 | 0 | 0 | 0 | 0 | 111.5 | D2 Q9 K10 | D2-T6 WeakPolarHBondContact O-CB 3.45Å; D2-T6 PolarHBondContact O-N 3.49Å; D2-T6 PolarHBondContact O-OG1 3.46Å; D2-T6 VanDerWaalsContact O-OG1 3.07Å; T6-Q9 PolarHBondContact O-N 2.96Å; T6-K10 PolarHBondContact O-N 2.83Å; T6-K10 VanDerWaalsContact O-N 3.07Å |
| 7 | E | 98.4 | Very high | 96.9 | Very high | 76 Ų | 76 | 72.5 Ų | 72.5 | 36% | 0.355 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 177.7 | -175.8 | 59.7 | -166.3 | 0 | 0 | 111.5 | G3 V4 Q9 K10 L11 V23 | G3-E7 WeakPolarHBondContact O-CB 3.42Å; G3-E7 PolarHBondContact O-N 3.48Å; G3-E7 VanDerWaalsContact O-N 3.07Å; V4-E7 PolarHBondContact O-N 3.36Å; E7-Q9 VanDerWaalsContact C-N 3.33Å; E7-Q9 PolarHBondContact O-N 3.46Å; E7-K10 PolarHBondContact O-N 2.85Å; E7-L11 HydrophobicContact CG-CD1 3.94Å; E7-L11 HydrophobicContact CG-CG 4.44Å; E7-L11 VanDerWaalsContact O-CG 3.3Å; E7-L11 WeakPolarHBondContact O-CG 3.37Å; E7-L11 PolarHBondContact O-N 2.92Å; E7-V23 HydrophobicContact CG-CG2 4.36Å |
| 8 | W | 98.5 | Very high | 96.9 | Very high | 15 Ų | 15 | 73.5 Ų | 73.5 | 6% | 0.057 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -55.1 | -48.6 | 173.4 | 171.6 | 83.7 | 0 | 0 | 0 | 111.6 | V4 I5 K10 L11 D12 V23 V24 W38 R39 N42 S43 | V4-W8 VanDerWaalsContact O-CB 3.29Å; V4-W8 WeakPolarHBondContact O-CB 3.39Å; V4-W8 PolarHBondContact O-N 2.94Å; I5-W8 PolarHBondContact O-N 3.25Å; W8-K10 VanDerWaalsContact C-N 3.33Å; W8-K10 PolarHBondContact O-N 3.28Å; W8-L11 PolarHBondContact O-N 3.47Å; W8-D12 HydrophobicContact CZ2-CB 4.4Å; W8-D12 VanDerWaalsContact O-CB 3.31Å; W8-D12 WeakPolarHBondContact O-CB 3.33Å; W8-D12 PolarHBondContact O-N 3.29Å; W8-V23 HydrophobicContact CB-CG1 4.5Å; W8-V24 HydrophobicContact CB-CG1 3.88Å; W8-V24 HydrophobicContact CG-CG1 3.62Å; W8-W38 HydrophobicContact CH2-CH2 4.04Å; W8-W38 AromaticContact CH2-CZ3 3.93Å; W8-W38 HydrophobicContact CH2-CZ3 3.93Å; W8-W38 HydrophobicContact CZ3-CH2 4.21Å; W8-R39 HydrophobicContact CD2-CB 4.02Å; W8-R39 HydrophobicContact CD2-CG 3.9Å; W8-R39 HydrophobicContact CE3-CB 4.48Å; W8-R39 VanDerWaalsContact CE3-CD 3.45Å; W8-R39 HydrophobicContact CE3-CG 3.85Å; W8-R39 HydrophobicContact CG-CB 4.5Å; W8-R39 HydrophobicContact CH2-CB 4.39Å; W8-R39 HydrophobicContact CH2-CG 3.83Å; W8-R39 HydrophobicContact CZ2-CB 3.89Å; W8-R39 HydrophobicContact CZ2-CG 3.85Å; W8-R39 HydrophobicContact CZ3-CG 3.82Å; W8-N42 HydrophobicContact CZ2-CB 4.08Å; W8-S43 PolarHBondContact NE1-OG 2.68Å |
| 9 | Q | 98.1 | Very high | 97 | Very high | 112 Ų | 112 | 74.4 Ų | 74.4 | 52% | 0.523 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | -178 | -177.3 | 173.5 | -3.4 | 0 | 0 | 111.9 | I5 T6 E7 S13 | I5-Q9 WeakPolarHBondContact O-CB 3.42Å; I5-Q9 PolarHBondContact O-N 2.98Å; T6-Q9 PolarHBondContact O-N 2.96Å; E7-Q9 VanDerWaalsContact C-N 3.33Å; E7-Q9 PolarHBondContact O-N 3.46Å; Q9-S13 VanDerWaalsContact O-CB 3.23Å; Q9-S13 WeakPolarHBondContact O-CB 2.98Å; Q9-S13 PolarHBondContact O-N 3.39Å; Q9-S13 PolarHBondContact O-OG 2.87Å |
| 10 | K | 98.5 | Very high | 97.1 | Very high | 130 Ų | 130 | 70.7 Ų | 70.7 | 57% | 0.565 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.9 | -46.4 | 175.8 | 178 | -172.4 | 170.5 | -165.5 | 0 | 111.6 | T6 E7 W8 S14 | T6-K10 PolarHBondContact O-N 2.83Å; T6-K10 VanDerWaalsContact O-N 3.07Å; E7-K10 PolarHBondContact O-N 2.85Å; W8-K10 VanDerWaalsContact C-N 3.33Å; W8-K10 PolarHBondContact O-N 3.28Å; K10-S14 VanDerWaalsContact O-CB 3.32Å; K10-S14 WeakPolarHBondContact O-CB 3.5Å; K10-S14 PolarHBondContact O-N 2.88Å; K10-S14 PolarHBondContact O-OG 3.38Å |
| 11 | L | 98.6 | Very high | 97.2 | Very high | 17 Ų | 17 | 68.6 Ų | 68.6 | 9% | 0.089 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.9 | -46.4 | 179.3 | -69.2 | 169.1 | 0 | 0 | 0 | 111.2 | E7 W8 S14 K15 K16 E19 A20 V23 | E7-L11 HydrophobicContact CG-CD1 3.94Å; E7-L11 HydrophobicContact CG-CG 4.44Å; E7-L11 VanDerWaalsContact O-CG 3.3Å; E7-L11 WeakPolarHBondContact O-CG 3.37Å; E7-L11 PolarHBondContact O-N 2.92Å; W8-L11 PolarHBondContact O-N 3.47Å; L11-S14 CarbonylContact O-C 3.47Å; L11-S14 PolarHBondContact O-N 3.29Å; L11-S14 VanDerWaalsContact O-N 3.15Å; L11-K15 PolarHBondContact O-N 2.9Å; L11-K16 HydrophobicContact CB-CB 4.28Å; L11-K16 HydrophobicContact CD2-CB 4.03Å; L11-K16 HydrophobicContact CD2-CD 3.87Å; L11-K16 WeakPolarHBondContact O-CB 3.44Å; L11-K16 PolarHBondContact O-N 3.1Å; L11-E19 HydrophobicContact CD1-CB 3.99Å; L11-E19 HydrophobicContact CD2-CB 4.01Å; L11-E19 HydrophobicContact CG-CB 4.49Å; L11-A20 HydrophobicContact CB-CB 3.79Å; L11-V23 HydrophobicContact CD1-CB 4.47Å; L11-V23 HydrophobicContact CD1-CG2 3.7Å |
| 12 | D | 97.3 | Very high | 97.5 | Very high | 28 Ų | 28 | 67.4 Ų | 67.4 | 15% | 0.15 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62 | -46.7 | 179.4 | -165.7 | 67.4 | 0 | 0 | 0 | 111.8 | W8 S14 K15 A20 N46 | W8-D12 HydrophobicContact CZ2-CB 4.4Å; W8-D12 VanDerWaalsContact O-CB 3.31Å; W8-D12 WeakPolarHBondContact O-CB 3.33Å; W8-D12 PolarHBondContact O-N 3.29Å; D12-S14 PolarHBondContact O-N 2.79Å; D12-K15 WeakPolarHBondContact O-CA 3.33Å; D12-K15 PolarHBondContact O-N 3.19Å; D12-A20 HydrophobicContact CB-CB 4.26Å; D12-N46 PolarHBondContact OD1-ND2 3.31Å |
| 13 | S | 95.4 | Very high | 97.7 | Very high | 92 Ų | 92 | 63.4 Ų | 63.4 | 64% | 0.643 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64 | -27.3 | 176.2 | -56.9 | 0 | 0 | 0 | 0 | 112.8 | Q9 K15 | Q9-S13 VanDerWaalsContact O-CB 3.23Å; Q9-S13 WeakPolarHBondContact O-CB 2.98Å; Q9-S13 PolarHBondContact O-N 3.39Å; Q9-S13 PolarHBondContact O-OG 2.87Å; S13-K15 VanDerWaalsContact C-N 3.25Å; S13-K15 PolarHBondContact O-N 2.85Å |
| 14 | S | 97 | Very high | 97.8 | Very high | 69 Ų | 69 | 60.7 Ų | 60.7 | 48% | 0.483 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 8.9 | 174.9 | -54.5 | 0 | 0 | 0 | 0 | 113 | K10 L11 D12 K16 | K10-S14 VanDerWaalsContact O-CB 3.32Å; K10-S14 WeakPolarHBondContact O-CB 3.5Å; K10-S14 PolarHBondContact O-N 2.88Å; K10-S14 PolarHBondContact O-OG 3.38Å; L11-S14 CarbonylContact O-C 3.47Å; L11-S14 PolarHBondContact O-N 3.29Å; L11-S14 VanDerWaalsContact O-N 3.15Å; D12-S14 PolarHBondContact O-N 2.79Å; S14-K16 PolarHBondContact O-N 3.5Å; S14-K16 VanDerWaalsContact O-N 3.16Å |
| 15 | K | 95.7 | Very high | 97.8 | Very high | 123 Ų | 123 | 59.8 Ų | 59.8 | 54% | 0.535 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 22 | -176 | -51.3 | -170.3 | 175.8 | -173.8 | 0 | 114.3 | L11 D12 S13 Y17 | L11-K15 PolarHBondContact O-N 2.9Å; D12-K15 WeakPolarHBondContact O-CA 3.33Å; D12-K15 PolarHBondContact O-N 3.19Å; S13-K15 VanDerWaalsContact C-N 3.25Å; S13-K15 PolarHBondContact O-N 2.85Å; K15-Y17 HydrophobicContact CB-CE1 4.2Å; K15-Y17 HydrophobicContact CB-CE2 4.08Å; K15-Y17 HydrophobicContact CG-CE1 4.49Å; K15-Y17 WeakPolarHBondContact CG-OH 3.47Å; K15-Y17 PolarHBondContact O-N 3.38Å; K15-Y17 VanDerWaalsContact O-N 3.07Å |
| 16 | K | 97.8 | Very high | 97.8 | Very high | 104 Ų | 104 | 64.9 Ų | 64.9 | 45% | 0.452 | 33% | 0.325 | S | S | . | . | trans | -85.5 | 62.2 | 173.7 | -66.2 | -171.3 | 178.2 | -172.2 | 0 | 110.1 | L11 S14 K18 E19 A20 | L11-K16 HydrophobicContact CB-CB 4.28Å; L11-K16 HydrophobicContact CD2-CB 4.03Å; L11-K16 HydrophobicContact CD2-CD 3.87Å; L11-K16 WeakPolarHBondContact O-CB 3.44Å; L11-K16 PolarHBondContact O-N 3.1Å; S14-K16 PolarHBondContact O-N 3.5Å; S14-K16 VanDerWaalsContact O-N 3.16Å; K16-K18 VanDerWaalsContact C-N 3.32Å; K16-K18 PolarHBondContact O-N 3Å; K16-E19 HydrophobicContact CB-CB 4.36Å; K16-E19 PolarHBondContact O-N 3.38Å; K16-A20 WeakPolarHBondContact O-CB 3.37Å; K16-A20 PolarHBondContact O-N 2.94Å | ||
| 17 | Y | 97.5 | Very high | 97.7 | Very high | 48 Ų | 48 | 61.4 Ų | 61.4 | 19% | 0.188 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.3 | -33.8 | -166.4 | -57.2 | -47.5 | 0 | 0 | 0 | 113.6 | K15 Y21 N46 | K15-Y17 HydrophobicContact CB-CE1 4.2Å; K15-Y17 HydrophobicContact CB-CE2 4.08Å; K15-Y17 HydrophobicContact CG-CE1 4.49Å; K15-Y17 WeakPolarHBondContact CG-OH 3.47Å; K15-Y17 PolarHBondContact O-N 3.38Å; K15-Y17 VanDerWaalsContact O-N 3.07Å; Y17-Y21 VanDerWaalsContact O-CB 3.26Å; Y17-Y21 WeakPolarHBondContact O-CB 3.33Å; Y17-Y21 PolarHBondContact O-N 3.12Å; Y17-N46 HydrophobicContact CD1-CB 3.5Å; Y17-N46 VanDerWaalsContact CD1-CB 3.5Å; Y17-N46 HydrophobicContact CD2-CB 4.12Å; Y17-N46 HydrophobicContact CE1-CB 3.8Å; Y17-N46 HydrophobicContact CE2-CB 4.39Å; Y17-N46 HydrophobicContact CG-CB 3.67Å |
| 18 | K | 97.9 | Very high | 97.7 | Very high | 91 Ų | 91 | 58.6 Ų | 58.6 | 40% | 0.396 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.2 | -45.1 | 179 | 179.6 | 53.9 | -180 | 140.3 | 0 | 110.6 | K16 Y21 D22 L47 | K16-K18 VanDerWaalsContact C-N 3.32Å; K16-K18 PolarHBondContact O-N 3Å; K18-Y21 WeakPolarHBondContact O-CB 3.42Å; K18-Y21 PolarHBondContact O-N 3.18Å; K18-D22 VanDerWaalsContact CE-OD2 3.31Å; K18-D22 WeakPolarHBondContact CE-OD2 3.46Å; K18-D22 VanDerWaalsContact NZ-CG 3.32Å; K18-D22 IonicContact NZ-OD1 3.48Å; K18-D22 PolarHBondContact NZ-OD1 3.18Å; K18-D22 IonicContact NZ-OD2 2.79Å; K18-D22 PolarHBondContact NZ-OD2 2.93Å; K18-D22 WeakPolarHBondContact O-CB 3.39Å; K18-D22 VanDerWaalsContact O-CG 3.23Å; K18-D22 PolarHBondContact O-N 3.05Å; K18-L47 HydrophobicContact CB-CD2 4.21Å |
| 19 | E | 98.6 | Very high | 97.5 | Very high | 90 Ų | 90 | 62.2 Ų | 62.2 | 42% | 0.421 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 176.8 | -59.6 | 95.5 | 133 | 0 | 0 | 111.5 | L11 K16 Y21 D22 V23 | L11-E19 HydrophobicContact CD1-CB 3.99Å; L11-E19 HydrophobicContact CD2-CB 4.01Å; L11-E19 HydrophobicContact CG-CB 4.49Å; K16-E19 HydrophobicContact CB-CB 4.36Å; K16-E19 PolarHBondContact O-N 3.38Å; E19-Y21 PolarHBondContact O-N 2.7Å; E19-D22 PolarHBondContact O-N 2.63Å; E19-V23 WeakPolarHBondContact O-CG2 3.45Å; E19-V23 PolarHBondContact O-N 3.4Å |
| 20 | A | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58 | -49.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | L11 D12 K16 D22 V23 V24 | L11-A20 HydrophobicContact CB-CB 3.79Å; D12-A20 HydrophobicContact CB-CB 4.26Å; K16-A20 WeakPolarHBondContact O-CB 3.37Å; K16-A20 PolarHBondContact O-N 2.94Å; A20-D22 VanDerWaalsContact C-N 3.33Å; A20-D22 PolarHBondContact O-N 2.81Å; A20-V23 PolarHBondContact O-N 2.83Å; A20-V24 WeakPolarHBondContact O-CG2 3.41Å; A20-V24 PolarHBondContact O-N 2.92Å |
| 21 | Y | 98.6 | Very high | 96.9 | Very high | 28 Ų | 28 | 61 Ų | 61 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.5 | -44.4 | 174.8 | 167.5 | -87.6 | 0 | 0 | 0 | 112.3 | Y17 K18 E19 V24 S25 K40 L47 Y62 E65 | Y17-Y21 VanDerWaalsContact O-CB 3.26Å; Y17-Y21 WeakPolarHBondContact O-CB 3.33Å; Y17-Y21 PolarHBondContact O-N 3.12Å; K18-Y21 WeakPolarHBondContact O-CB 3.42Å; K18-Y21 PolarHBondContact O-N 3.18Å; E19-Y21 PolarHBondContact O-N 2.7Å; Y21-V24 WeakPolarHBondContact O-CG2 3.5Å; Y21-S25 VanDerWaalsContact O-CB 3.22Å; Y21-S25 WeakPolarHBondContact O-CB 3.29Å; Y21-S25 PolarHBondContact O-N 3.28Å; Y21-S25 PolarHBondContact O-OG 3.18Å; Y21-K40 HydrophobicContact CE2-CG 4.4Å; Y21-L47 HydrophobicContact CD1-CD1 4.2Å; Y21-L47 HydrophobicContact CD2-CD1 3.86Å; Y21-L47 HydrophobicContact CG-CD1 3.59Å; Y21-Y62 HydrophobicContact CE2-CE1 4.41Å; Y21-E65 PolarHBondContact OH-OE1 3.25Å; Y21-E65 PolarHBondContact OH-OE2 2.85Å |
| 22 | D | 98.2 | Very high | 96.8 | Very high | 50 Ų | 50 | 66.9 Ų | 66.9 | 27% | 0.267 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67 | -41.3 | -177.6 | -72.9 | -28.5 | 0 | 0 | 0 | 111.3 | K18 E19 A20 V24 S25 H26 | K18-D22 VanDerWaalsContact CE-OD2 3.31Å; K18-D22 WeakPolarHBondContact CE-OD2 3.46Å; K18-D22 VanDerWaalsContact NZ-CG 3.32Å; K18-D22 IonicContact NZ-OD1 3.48Å; K18-D22 PolarHBondContact NZ-OD1 3.18Å; K18-D22 IonicContact NZ-OD2 2.79Å; K18-D22 PolarHBondContact NZ-OD2 2.93Å; K18-D22 WeakPolarHBondContact O-CB 3.39Å; K18-D22 VanDerWaalsContact O-CG 3.23Å; K18-D22 PolarHBondContact O-N 3.05Å; E19-D22 PolarHBondContact O-N 2.63Å; A20-D22 VanDerWaalsContact C-N 3.33Å; A20-D22 PolarHBondContact O-N 2.81Å; D22-V24 PolarHBondContact O-N 3.41Å; D22-S25 PolarHBondContact O-N 3.05Å; D22-H26 WeakPolarHBondContact O-CB 3.32Å; D22-H26 PolarHBondContact O-N 2.8Å; D22-H26 PolarHBondContact O-ND1 3.46Å |
| 23 | V | 98.2 | Very high | 96.9 | Very high | 42 Ų | 42 | 69.3 Ų | 69.3 | 26% | 0.255 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.1 | -48.9 | 177.4 | 164.8 | 0 | 0 | 0 | 0 | 111.6 | V4 E7 W8 L11 E19 A20 A27 | V4-V23 HydrophobicContact CG1-CG1 3.77Å; E7-V23 HydrophobicContact CG-CG2 4.36Å; W8-V23 HydrophobicContact CB-CG1 4.5Å; L11-V23 HydrophobicContact CD1-CB 4.47Å; L11-V23 HydrophobicContact CD1-CG2 3.7Å; E19-V23 WeakPolarHBondContact O-CG2 3.45Å; E19-V23 PolarHBondContact O-N 3.4Å; A20-V23 PolarHBondContact O-N 2.83Å; V23-A27 WeakPolarHBondContact O-CB 3.39Å; V23-A27 PolarHBondContact O-N 2.91Å; V23-A27 VanDerWaalsContact O-N 3.13Å |
| 24 | V | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -74 | -35 | -179.9 | -66.5 | 0 | 0 | 0 | 0 | 112.5 | W8 A20 Y21 D22 A27 I28 R39 K40 | W8-V24 HydrophobicContact CB-CG1 3.88Å; W8-V24 HydrophobicContact CG-CG1 3.62Å; A20-V24 WeakPolarHBondContact O-CG2 3.41Å; A20-V24 PolarHBondContact O-N 2.92Å; Y21-V24 WeakPolarHBondContact O-CG2 3.5Å; D22-V24 PolarHBondContact O-N 3.41Å; V24-A27 PolarHBondContact O-N 3.46Å; V24-I28 VanDerWaalsContact O-CG1 3.28Å; V24-I28 WeakPolarHBondContact O-CG1 3.36Å; V24-I28 PolarHBondContact O-N 3.02Å; V24-R39 HydrophobicContact CG1-CB 4.01Å; V24-K40 HydrophobicContact CG2-CB 3.96Å |
| 25 | S | 97.6 | Very high | 97 | Very high | 26 Ų | 26 | 64.9 Ų | 64.9 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 177.4 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | Y21 D22 I28 | Y21-S25 VanDerWaalsContact O-CB 3.22Å; Y21-S25 WeakPolarHBondContact O-CB 3.29Å; Y21-S25 PolarHBondContact O-N 3.28Å; Y21-S25 PolarHBondContact O-OG 3.18Å; D22-S25 PolarHBondContact O-N 3.05Å; S25-I28 PolarHBondContact O-N 2.98Å |
| 26 | H | 97.1 | Very high | 97.1 | Very high | 131 Ų | 131 | 59.1 Ų | 59.1 | 61% | 0.606 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67.7 | -36.2 | 173.4 | -75.5 | 87.5 | 0 | 0 | 0 | 112.2 | D22 I28 S29 | D22-H26 WeakPolarHBondContact O-CB 3.32Å; D22-H26 PolarHBondContact O-N 2.8Å; D22-H26 PolarHBondContact O-ND1 3.46Å; H26-I28 VanDerWaalsContact C-N 3.35Å; H26-I28 PolarHBondContact O-N 2.78Å; H26-S29 PolarHBondContact O-N 3.49Å; H26-S29 PolarHBondContact O-OG 2.96Å |
| 27 | A | 97.5 | Very high | 97.2 | Very high | 18 Ų | 18 | 54.7 Ų | 54.7 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V4 V23 V24 S29 N30 N31 L36 | V4-A27 HydrophobicContact CB-CB 4.43Å; V4-A27 HydrophobicContact CG1-CB 3.56Å; V4-A27 HydrophobicContact CG2-CB 4.13Å; V23-A27 WeakPolarHBondContact O-CB 3.39Å; V23-A27 PolarHBondContact O-N 2.91Å; V23-A27 VanDerWaalsContact O-N 3.13Å; V24-A27 PolarHBondContact O-N 3.46Å; A27-S29 VanDerWaalsContact C-N 3.28Å; A27-S29 PolarHBondContact O-N 3.43Å; A27-N30 PolarHBondContact O-N 3.39Å; A27-N31 PolarHBondContact O-N 3.39Å; A27-L36 HydrophobicContact CB-CD1 3.87Å; A27-L36 HydrophobicContact CB-CD2 4.16Å |
| 28 | I | 97.8 | Very high | 97.2 | Very high | 17 Ų | 17 | 53.6 Ų | 53.6 | 9% | 0.087 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.4 | -33.9 | 179.9 | -73.5 | 163.3 | 0 | 0 | 0 | 112.2 | V24 S25 H26 N30 N31 L36 Y37 K40 | V24-I28 VanDerWaalsContact O-CG1 3.28Å; V24-I28 WeakPolarHBondContact O-CG1 3.36Å; V24-I28 PolarHBondContact O-N 3.02Å; S25-I28 PolarHBondContact O-N 2.98Å; H26-I28 VanDerWaalsContact C-N 3.35Å; H26-I28 PolarHBondContact O-N 2.78Å; I28-N30 PolarHBondContact O-N 3.15Å; I28-N31 WeakPolarHBondContact CA-O 3.43Å; I28-N31 CarbonylContact O-C 3.48Å; I28-N31 PolarHBondContact O-N 3.4Å; I28-L36 HydrophobicContact CD1-CB 4.13Å; I28-L36 HydrophobicContact CG1-CB 3.57Å; I28-L36 HydrophobicContact CG1-CD1 4.24Å; I28-Y37 HydrophobicContact CD1-CD1 3.95Å; I28-Y37 HydrophobicContact CD1-CE1 4.1Å; I28-Y37 HydrophobicContact CG1-CE1 4.43Å; I28-Y37 HydrophobicContact CG2-CE1 3.71Å; I28-K40 HydrophobicContact CD1-CB 3.85Å; I28-K40 HydrophobicContact CD1-CD 3.68Å; I28-K40 HydrophobicContact CD1-CG 4.34Å |
| 29 | S | 93.3 | Very high | 97.2 | Very high | 90 Ų | 90 | 50.3 Ų | 50.3 | 63% | 0.629 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62 | -29.6 | -179.6 | 72.7 | 0 | 0 | 0 | 0 | 112.6 | H26 A27 | H26-S29 PolarHBondContact O-N 3.49Å; H26-S29 PolarHBondContact O-OG 2.96Å; A27-S29 VanDerWaalsContact C-N 3.28Å; A27-S29 PolarHBondContact O-N 3.43Å |
| 30 | N | 91.7 | Very high | 97.2 | Very high | 147 Ų | 147 | 47.8 Ų | 47.8 | 79% | 0.786 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -102.3 | -18.2 | -178.7 | -59.6 | -42.6 | 0 | 0 | 0 | 112.7 | A27 I28 | A27-N30 PolarHBondContact O-N 3.39Å; I28-N30 PolarHBondContact O-N 3.15Å |
| 31 | N | 93.9 | Very high | 97.2 | Very high | 71 Ų | 71 | 47.8 Ų | 47.8 | 38% | 0.38 | 25% | 0.245 | S | C | . | . | trans | -150.5 | 101.7 | -175.7 | -172 | -5 | 0 | 0 | 0 | 111 | M1 A27 I28 H33 L36 | M1-N31 WeakPolarHBondContact CE-ND2 3.31Å; A27-N31 PolarHBondContact O-N 3.39Å; I28-N31 WeakPolarHBondContact CA-O 3.43Å; I28-N31 CarbonylContact O-C 3.48Å; I28-N31 PolarHBondContact O-N 3.4Å; N31-H33 PolarHBondContact O-N 3.17Å; N31-L36 HydrophobicContact CB-CD1 4.35Å; N31-L36 VanDerWaalsContact O-CD1 3.26Å; N31-L36 WeakPolarHBondContact O-CD1 3.49Å | ||
| 32 | K | 96.1 | Very high | 97.2 | Very high | 140 Ų | 140 | 47.4 Ų | 47.4 | 61% | 0.609 | 25% | 0.245 | S | C | * | . | trans | -81.8 | 103.4 | 175.9 | -62.8 | -171.5 | 175.5 | -169.9 | 0 | 109.6 | Y37 I76 | K32-Y37 HydrophobicContact CB-CE2 4.13Å; K32-I76 HydrophobicContact CB-CD1 3.97Å | ||
| 33 | H | 97.8 | Very high | 97.3 | Very high | 79 Ų | 79 | 45 Ų | 45 | 37% | 0.366 | 23% | 0.232 | S | C | . | . | trans | -140.4 | 138.8 | -177.8 | -166.7 | -84.5 | 0 | 0 | 0 | 111.5 | M1 N31 E35 L36 Y37 | M1-H33 HydrophobicContact CE-CB 3.49Å; M1-H33 VanDerWaalsContact CE-CB 3.49Å; N31-H33 PolarHBondContact O-N 3.17Å; H33-E35 VanDerWaalsContact ND1-CB 3.34Å; H33-E35 WeakPolarHBondContact ND1-CB 3.48Å; H33-E35 PolarHBondContact ND1-N 3.03Å; H33-E35 VanDerWaalsContact ND1-N 3.16Å; H33-E35 PolarHBondContact O-N 2.89Å; H33-E35 VanDerWaalsContact O-N 3.16Å; H33-L36 PolarHBondContact O-N 3.02Å; H33-Y37 VanDerWaalsContact O-CD2 3.26Å; H33-Y37 WeakPolarHBondContact O-CD2 3.43Å; H33-Y37 PolarHBondContact O-N 3.26Å | ||
| 34 | P | 97.6 | Very high | 97.3 | Very high | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -51.8 | -39.8 | -179.8 | -28.2 | 34.4 | 0 | 0 | 0 | 113.8 | L36 Y37 W38 I76 D77 | P34-L36 PolarHBondContact O-N 3.29Å; P34-Y37 PolarHBondContact O-N 3.3Å; P34-Y37 VanDerWaalsContact O-N 3.08Å; P34-W38 VanDerWaalsContact O-CD1 3.29Å; P34-W38 PolarHBondContact O-N 2.94Å; P34-I76 HydrophobicContact CG-CB 4.09Å; P34-I76 HydrophobicContact CG-CG2 3.86Å; P34-D77 HydrophobicContact CB-CB 4.43Å; P34-D77 HydrophobicContact CG-CB 3.65Å |
| 35 | E | 97.5 | Very high | 97.3 | Very high | 59 Ų | 59 | 44.6 Ų | 44.6 | 28% | 0.276 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57.7 | -29.8 | 175.9 | -72.3 | -61.8 | 104.3 | 0 | 0 | 114.4 | I5 H33 W38 R39 | I5-E35 HydrophobicContact CD1-CB 4.28Å; H33-E35 VanDerWaalsContact ND1-CB 3.34Å; H33-E35 WeakPolarHBondContact ND1-CB 3.48Å; H33-E35 PolarHBondContact ND1-N 3.03Å; H33-E35 VanDerWaalsContact ND1-N 3.16Å; H33-E35 PolarHBondContact O-N 2.89Å; H33-E35 VanDerWaalsContact O-N 3.16Å; E35-W38 PolarHBondContact OE1-NE1 3.47Å; E35-W38 PolarHBondContact OE2-NE1 3.5Å; E35-R39 WeakPolarHBondContact O-CD 3.34Å; E35-R39 VanDerWaalsContact O-CG 3.31Å; E35-R39 WeakPolarHBondContact O-CG 3.29Å; E35-R39 PolarHBondContact O-NH1 3.27Å; E35-R39 IonicContact OE2-CZ 2.86Å; E35-R39 IonicContact OE2-NH1 3.03Å; E35-R39 PolarHBondContact OE2-NH1 3.37Å; E35-R39 IonicContact OE2-NH2 3.34Å; E35-R39 PolarHBondContact OE2-NH2 3.24Å |
| 36 | L | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -84 | -35.9 | 175.4 | -64.5 | 176.3 | 0 | 0 | 0 | 111.4 | M1 V4 A27 I28 N31 H33 P34 R39 K40 | M1-L36 HydrophobicContact CE-CD1 3.83Å; M1-L36 HydrophobicContact CE-CG 3.95Å; M1-L36 HydrophobicContact SD-CD1 3.83Å; M1-L36 HydrophobicContact SD-CD2 3.61Å; M1-L36 HydrophobicContact SD-CG 3.62Å; V4-L36 HydrophobicContact CG1-CD2 3.96Å; A27-L36 HydrophobicContact CB-CD1 3.87Å; A27-L36 HydrophobicContact CB-CD2 4.16Å; I28-L36 HydrophobicContact CD1-CB 4.13Å; I28-L36 HydrophobicContact CG1-CB 3.57Å; I28-L36 HydrophobicContact CG1-CD1 4.24Å; N31-L36 HydrophobicContact CB-CD1 4.35Å; N31-L36 VanDerWaalsContact O-CD1 3.26Å; N31-L36 WeakPolarHBondContact O-CD1 3.49Å; H33-L36 PolarHBondContact O-N 3.02Å; P34-L36 PolarHBondContact O-N 3.29Å; L36-R39 PolarHBondContact O-N 2.93Å; L36-K40 WeakPolarHBondContact O-CB 3.27Å; L36-K40 PolarHBondContact O-N 3.44Å |
| 37 | Y | 98.6 | Very high | 97.3 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.8 | -45.6 | -178.2 | -78.8 | -62.9 | 0 | 0 | 0 | 113.4 | I28 K32 H33 P34 R39 K40 A41 A69 E72 I76 | I28-Y37 HydrophobicContact CD1-CD1 3.95Å; I28-Y37 HydrophobicContact CD1-CE1 4.1Å; I28-Y37 HydrophobicContact CG1-CE1 4.43Å; I28-Y37 HydrophobicContact CG2-CE1 3.71Å; K32-Y37 HydrophobicContact CB-CE2 4.13Å; H33-Y37 VanDerWaalsContact O-CD2 3.26Å; H33-Y37 WeakPolarHBondContact O-CD2 3.43Å; H33-Y37 PolarHBondContact O-N 3.26Å; P34-Y37 PolarHBondContact O-N 3.3Å; P34-Y37 VanDerWaalsContact O-N 3.08Å; Y37-R39 VanDerWaalsContact C-N 3.28Å; Y37-R39 PolarHBondContact O-N 3.24Å; Y37-K40 WeakPolarHBondContact O-CB 3.44Å; Y37-K40 PolarHBondContact O-N 2.92Å; Y37-A41 PolarHBondContact O-N 2.96Å; Y37-A69 WeakPolarHBondContact CB-O 3.34Å; Y37-A69 HydrophobicContact CD1-CB 4.33Å; Y37-A69 WeakPolarHBondContact CD1-O 3.39Å; Y37-E72 HydrophobicContact CD1-CB 3.79Å; Y37-E72 HydrophobicContact CD2-CB 4.42Å; Y37-E72 HydrophobicContact CE1-CB 3.45Å; Y37-E72 VanDerWaalsContact CE1-CB 3.45Å; Y37-E72 HydrophobicContact CE1-CG 4.16Å; Y37-E72 HydrophobicContact CE2-CB 4.14Å; Y37-E72 HydrophobicContact CG-CB 4.26Å; Y37-I76 HydrophobicContact CD2-CD1 4.12Å; Y37-I76 HydrophobicContact CE2-CD1 3.57Å |
| 38 | W | 98.4 | Very high | 97.3 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.5 | -32.7 | 177.6 | 78.9 | -107.5 | 0 | 0 | 0 | 111.7 | W8 P34 E35 A41 N42 K82 W86 | W8-W38 HydrophobicContact CH2-CH2 4.04Å; W8-W38 AromaticContact CH2-CZ3 3.93Å; W8-W38 HydrophobicContact CH2-CZ3 3.93Å; W8-W38 HydrophobicContact CZ3-CH2 4.21Å; P34-W38 VanDerWaalsContact O-CD1 3.29Å; P34-W38 PolarHBondContact O-N 2.94Å; E35-W38 PolarHBondContact OE1-NE1 3.47Å; E35-W38 PolarHBondContact OE2-NE1 3.5Å; W38-A41 WeakPolarHBondContact O-CB 3.13Å; W38-A41 PolarHBondContact O-N 3.03Å; W38-N42 HydrophobicContact CE3-CB 4.44Å; W38-N42 HydrophobicContact CZ3-CB 4.46Å; W38-N42 PolarHBondContact O-N 3.44Å; W38-K82 HydrophobicContact CB-CB 3.99Å; W38-K82 HydrophobicContact CD2-CB 3.79Å; W38-K82 HydrophobicContact CD2-CG 4.17Å; W38-K82 HydrophobicContact CG-CB 3.52Å; W38-K82 HydrophobicContact CG-CG 4.37Å; W38-K82 HydrophobicContact CZ2-CG 4.33Å; W38-W86 HydrophobicContact CB-CG 4.5Å; W38-W86 AromaticContact CE3-CD1 3.82Å; W38-W86 AromaticContact CE3-NE1 3.43Å; W38-W86 AromaticContact CZ3-NE1 3.96Å |
| 39 | R | 98.6 | Very high | 97.3 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 9% | 0.087 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.2 | -39.4 | 173.5 | -74 | -179.7 | 174.8 | 76.9 | -0.7 | 112 | I5 W8 V24 E35 L36 Y37 A41 N42 S43 | I5-R39 VanDerWaalsContact CG2-NH2 3.33Å; W8-R39 HydrophobicContact CD2-CB 4.02Å; W8-R39 HydrophobicContact CD2-CG 3.9Å; W8-R39 HydrophobicContact CE3-CB 4.48Å; W8-R39 VanDerWaalsContact CE3-CD 3.45Å; W8-R39 HydrophobicContact CE3-CG 3.85Å; W8-R39 HydrophobicContact CG-CB 4.5Å; W8-R39 HydrophobicContact CH2-CB 4.39Å; W8-R39 HydrophobicContact CH2-CG 3.83Å; W8-R39 HydrophobicContact CZ2-CB 3.89Å; W8-R39 HydrophobicContact CZ2-CG 3.85Å; W8-R39 HydrophobicContact CZ3-CG 3.82Å; V24-R39 HydrophobicContact CG1-CB 4.01Å; E35-R39 WeakPolarHBondContact O-CD 3.34Å; E35-R39 VanDerWaalsContact O-CG 3.31Å; E35-R39 WeakPolarHBondContact O-CG 3.29Å; E35-R39 PolarHBondContact O-NH1 3.27Å; E35-R39 IonicContact OE2-CZ 2.86Å; E35-R39 IonicContact OE2-NH1 3.03Å; E35-R39 PolarHBondContact OE2-NH1 3.37Å; E35-R39 IonicContact OE2-NH2 3.34Å; E35-R39 PolarHBondContact OE2-NH2 3.24Å; L36-R39 PolarHBondContact O-N 2.93Å; Y37-R39 VanDerWaalsContact C-N 3.28Å; Y37-R39 PolarHBondContact O-N 3.24Å; R39-A41 VanDerWaalsContact C-N 3.33Å; R39-N42 PolarHBondContact O-N 3.17Å; R39-S43 PolarHBondContact O-N 3.46Å; R39-S43 PolarHBondContact O-OG 3.48Å |
| 40 | K | 98.7 | Very high | 97.4 | Very high | 36 Ų | 36 | 35.4 Ų | 35.4 | 16% | 0.157 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 170.6 | -177.1 | 176.5 | 179.8 | -176.5 | 0 | 110.9 | Y21 V24 I28 L36 Y37 S43 C44 E65 A69 | Y21-K40 HydrophobicContact CE2-CG 4.4Å; V24-K40 HydrophobicContact CG2-CB 3.96Å; I28-K40 HydrophobicContact CD1-CB 3.85Å; I28-K40 HydrophobicContact CD1-CD 3.68Å; I28-K40 HydrophobicContact CD1-CG 4.34Å; L36-K40 WeakPolarHBondContact O-CB 3.27Å; L36-K40 PolarHBondContact O-N 3.44Å; Y37-K40 WeakPolarHBondContact O-CB 3.44Å; Y37-K40 PolarHBondContact O-N 2.92Å; K40-S43 PolarHBondContact O-N 3.09Å; K40-C44 WeakPolarHBondContact O-CB 3.39Å; K40-C44 PolarHBondContact O-N 3.38Å; K40-C44 PolarHBondContact O-SG 3.21Å; K40-E65 WeakPolarHBondContact CE-OE1 3.28Å; K40-E65 IonicContact NZ-OE1 2.72Å; K40-E65 PolarHBondContact NZ-OE1 3.45Å; K40-A69 HydrophobicContact CB-CB 4.28Å; K40-A69 HydrophobicContact CD-CB 4.17Å; K40-A69 HydrophobicContact CG-CB 4.19Å |
| 41 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.5 | -47 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y37 W38 R39 S43 C44 R45 A69 C70 W86 F90 | Y37-A41 PolarHBondContact O-N 2.96Å; W38-A41 WeakPolarHBondContact O-CB 3.13Å; W38-A41 PolarHBondContact O-N 3.03Å; R39-A41 VanDerWaalsContact C-N 3.33Å; A41-S43 PolarHBondContact O-N 3.36Å; A41-C44 WeakPolarHBondContact O-CB 3.41Å; A41-C44 PolarHBondContact O-N 2.97Å; A41-R45 PolarHBondContact O-N 3.24Å; A41-A69 HydrophobicContact CB-CB 4.31Å; A41-C70 WeakPolarHBondContact CB-SG 3.39Å; A41-W86 HydrophobicContact CB-CB 4.33Å; A41-F90 HydrophobicContact CB-CD2 4.22Å; A41-F90 HydrophobicContact CB-CE2 3.64Å; A41-F90 HydrophobicContact CB-CZ 4.44Å; A41-F90 VanDerWaalsContact O-CE2 3.26Å; A41-F90 WeakPolarHBondContact O-CE2 3.43Å; A41-F90 WeakPolarHBondContact O-CZ 3.42Å |
| 42 | N | 98.4 | Very high | 97.4 | Very high | 21 Ų | 21 | 29.4 Ų | 29.4 | 11% | 0.112 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.1 | -50.3 | 173.3 | 174.9 | -67.7 | 0 | 0 | 0 | 111.9 | W8 W38 R39 C44 R45 N46 W86 | W8-N42 HydrophobicContact CZ2-CB 4.08Å; W38-N42 HydrophobicContact CE3-CB 4.44Å; W38-N42 HydrophobicContact CZ3-CB 4.46Å; W38-N42 PolarHBondContact O-N 3.44Å; R39-N42 PolarHBondContact O-N 3.17Å; N42-C44 VanDerWaalsContact C-N 3.29Å; N42-C44 PolarHBondContact O-N 3.01Å; N42-R45 WeakPolarHBondContact O-CA 3.32Å; N42-R45 WeakPolarHBondContact O-CB 3.27Å; N42-R45 PolarHBondContact O-N 3.44Å; N42-N46 PolarHBondContact O-N 3.37Å; N42-N46 PolarHBondContact OD1-ND2 3.44Å; N42-N46 VanDerWaalsContact OD1-ND2 3.15Å; N42-W86 HydrophobicContact CB-CD2 4.45Å; N42-W86 HydrophobicContact CB-CH2 3.72Å; N42-W86 HydrophobicContact CB-CZ2 3.62Å; N42-W86 HydrophobicContact CB-CZ3 4.19Å; N42-W86 WeakPolarHBondContact ND2-CH2 3.46Å; N42-W86 WeakPolarHBondContact ND2-CZ2 3.45Å |
| 43 | S | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.5 | -32.9 | 178.6 | -59.6 | 0 | 0 | 0 | 0 | 113 | W8 R39 K40 A41 N46 L47 | W8-S43 PolarHBondContact NE1-OG 2.68Å; R39-S43 PolarHBondContact O-N 3.46Å; R39-S43 PolarHBondContact O-OG 3.48Å; K40-S43 PolarHBondContact O-N 3.09Å; A41-S43 PolarHBondContact O-N 3.36Å; S43-N46 PolarHBondContact O-N 3.22Å; S43-L47 WeakPolarHBondContact O-CB 3.46Å; S43-L47 WeakPolarHBondContact O-CG 3.4Å; S43-L47 PolarHBondContact O-N 3.33Å |
| 44 | C | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 171.1 | -68.4 | 0 | 0 | 0 | 0 | 111.3 | K40 A41 N42 N46 L47 A48 Y62 F90 | K40-C44 WeakPolarHBondContact O-CB 3.39Å; K40-C44 PolarHBondContact O-N 3.38Å; K40-C44 PolarHBondContact O-SG 3.21Å; A41-C44 WeakPolarHBondContact O-CB 3.41Å; A41-C44 PolarHBondContact O-N 2.97Å; N42-C44 VanDerWaalsContact C-N 3.29Å; N42-C44 PolarHBondContact O-N 3.01Å; C44-N46 VanDerWaalsContact C-N 3.35Å; C44-N46 PolarHBondContact O-N 3.05Å; C44-L47 PolarHBondContact O-N 3.1Å; C44-A48 WeakPolarHBondContact O-CB 3.5Å; C44-A48 PolarHBondContact O-N 3.24Å; C44-Y62 HydrophobicContact CB-CD1 4.44Å; C44-Y62 WeakPolarHBondContact CB-O 3.29Å; C44-Y62 WeakPolarHBondContact O-CB 3.41Å; C44-F90 HydrophobicContact CB-CZ 4.2Å |
| 45 | R | 98 | Very high | 96.3 | Very high | 33 Ų | 33 | 32.2 Ų | 32.2 | 13% | 0.125 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 174.2 | 179 | -179.2 | 175.9 | 169 | 0.5 | 111 | A41 N42 L47 A48 N49 W86 F90 L93 D214 | A41-R45 PolarHBondContact O-N 3.24Å; N42-R45 WeakPolarHBondContact O-CA 3.32Å; N42-R45 WeakPolarHBondContact O-CB 3.27Å; N42-R45 PolarHBondContact O-N 3.44Å; R45-L47 PolarHBondContact O-N 3.5Å; R45-A48 PolarHBondContact O-N 3.43Å; R45-N49 WeakPolarHBondContact O-CB 3.48Å; R45-N49 PolarHBondContact O-N 2.93Å; R45-W86 HydrophobicContact CB-CZ3 3.97Å; R45-W86 HydrophobicContact CG-CZ3 4.41Å; R45-F90 HydrophobicContact CB-CE2 4.47Å; R45-F90 HydrophobicContact CB-CZ 3.88Å; R45-L93 HydrophobicContact CG-CD1 4.33Å; R45-D214 IonicContact NH2-OD2 2.79Å; R45-D214 PolarHBondContact NH2-OD2 3.42Å |
| 46 | N | 97.7 | Very high | 96.1 | Very high | 29 Ų | 29 | 38.3 Ų | 38.3 | 16% | 0.155 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.8 | -40.2 | -179.7 | -68.9 | -15.6 | 0 | 0 | 0 | 112.1 | D12 Y17 N42 S43 C44 N49 S50 | D12-N46 PolarHBondContact OD1-ND2 3.31Å; Y17-N46 HydrophobicContact CD1-CB 3.5Å; Y17-N46 VanDerWaalsContact CD1-CB 3.5Å; Y17-N46 HydrophobicContact CD2-CB 4.12Å; Y17-N46 HydrophobicContact CE1-CB 3.8Å; Y17-N46 HydrophobicContact CE2-CB 4.39Å; Y17-N46 HydrophobicContact CG-CB 3.67Å; N42-N46 PolarHBondContact O-N 3.37Å; N42-N46 PolarHBondContact OD1-ND2 3.44Å; N42-N46 VanDerWaalsContact OD1-ND2 3.15Å; S43-N46 PolarHBondContact O-N 3.22Å; C44-N46 VanDerWaalsContact C-N 3.35Å; C44-N46 PolarHBondContact O-N 3.05Å; N46-N49 PolarHBondContact O-N 2.62Å; N46-S50 WeakPolarHBondContact O-CB 3.48Å; N46-S50 PolarHBondContact O-N 3.18Å; N46-S50 PolarHBondContact O-OG 2.85Å |
| 47 | L | 97.8 | Very high | 96 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.7 | -40 | 173.1 | -73 | 171 | 0 | 0 | 0 | 112.9 | K18 Y21 S43 C44 R45 N49 S50 L51 Y62 | K18-L47 HydrophobicContact CB-CD2 4.21Å; Y21-L47 HydrophobicContact CD1-CD1 4.2Å; Y21-L47 HydrophobicContact CD2-CD1 3.86Å; Y21-L47 HydrophobicContact CG-CD1 3.59Å; S43-L47 WeakPolarHBondContact O-CB 3.46Å; S43-L47 WeakPolarHBondContact O-CG 3.4Å; S43-L47 PolarHBondContact O-N 3.33Å; C44-L47 PolarHBondContact O-N 3.1Å; R45-L47 PolarHBondContact O-N 3.5Å; L47-N49 VanDerWaalsContact C-N 3.34Å; L47-S50 WeakPolarHBondContact CA-OG 3.34Å; L47-S50 PolarHBondContact O-OG 3.27Å; L47-L51 HydrophobicContact CD2-CD1 3.87Å; L47-L51 HydrophobicContact CD2-CG 4.46Å; L47-L51 VanDerWaalsContact O-CB 3.28Å; L47-L51 WeakPolarHBondContact O-CB 3.48Å; L47-L51 PolarHBondContact O-N 3.03Å; L47-Y62 HydrophobicContact CB-CD1 4.09Å; L47-Y62 HydrophobicContact CB-CD2 3.78Å; L47-Y62 HydrophobicContact CB-CE1 4.05Å; L47-Y62 HydrophobicContact CB-CE2 3.72Å; L47-Y62 HydrophobicContact CB-CG 3.97Å; L47-Y62 HydrophobicContact CD1-CD1 4.22Å; L47-Y62 HydrophobicContact CD1-CE1 3.59Å; L47-Y62 HydrophobicContact CD1-CE2 4.42Å; L47-Y62 HydrophobicContact CG-CE1 4.45Å |
| 48 | A | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.1 | -46.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | C44 R45 G52 Y59 I63 | C44-A48 WeakPolarHBondContact O-CB 3.5Å; C44-A48 PolarHBondContact O-N 3.24Å; R45-A48 PolarHBondContact O-N 3.43Å; A48-G52 WeakPolarHBondContact O-CA 3.38Å; A48-G52 PolarHBondContact O-N 3.17Å; A48-Y59 HydrophobicContact CB-CD2 3.89Å; A48-Y59 HydrophobicContact CB-CE2 4.08Å; A48-Y59 HydrophobicContact CB-CG 4.5Å; A48-Y59 WeakPolarHBondContact O-CD2 3.5Å; A48-I63 HydrophobicContact CB-CD1 3.92Å; A48-I63 HydrophobicContact CB-CG1 4.42Å |
| 49 | N | 96.4 | Very high | 95.9 | Very high | 17 Ų | 17 | 45.4 Ų | 45.4 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.6 | -39.5 | -177.2 | -162 | 38.9 | 0 | 0 | 0 | 113 | R45 N46 L47 D212 L213 D214 | R45-N49 WeakPolarHBondContact O-CB 3.48Å; R45-N49 PolarHBondContact O-N 2.93Å; N46-N49 PolarHBondContact O-N 2.62Å; L47-N49 VanDerWaalsContact C-N 3.34Å; N49-D212 VanDerWaalsContact ND2-CB 3.33Å; N49-D212 WeakPolarHBondContact ND2-CB 3.02Å; N49-D212 PolarHBondContact ND2-OD1 3.2Å; N49-D212 PolarHBondContact ND2-OD2 3.22Å; N49-L213 WeakPolarHBondContact O-CB 3.49Å; N49-L213 PolarHBondContact O-N 3.14Å; N49-L213 VanDerWaalsContact O-N 3.09Å; N49-L213 WeakPolarHBondContact OD1-CB 3.28Å; N49-L213 PolarHBondContact OD1-N 3.3Å; N49-D214 WeakPolarHBondContact OD1-CB 3.33Å; N49-D214 PolarHBondContact OD1-N 3.01Å |
| 50 | S | 95.4 | Very high | 95.8 | Very high | 39 Ų | 39 | 48.1 Ų | 48.1 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -79.7 | -46 | -178.8 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | N46 L47 | N46-S50 WeakPolarHBondContact O-CB 3.48Å; N46-S50 PolarHBondContact O-N 3.18Å; N46-S50 PolarHBondContact O-OG 2.85Å; L47-S50 WeakPolarHBondContact CA-OG 3.34Å; L47-S50 PolarHBondContact O-OG 3.27Å |
| 51 | L | 94.6 | Very high | 95.8 | Very high | 86 Ų | 86 | 51.6 Ų | 51.6 | 45% | 0.45 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -90.8 | -28.6 | -175.7 | -57.3 | 177.9 | 0 | 0 | 0 | 112.6 | L47 K53 V58 Y62 | L47-L51 HydrophobicContact CD2-CD1 3.87Å; L47-L51 HydrophobicContact CD2-CG 4.46Å; L47-L51 VanDerWaalsContact O-CB 3.28Å; L47-L51 WeakPolarHBondContact O-CB 3.48Å; L47-L51 PolarHBondContact O-N 3.03Å; L51-K53 PolarHBondContact O-N 3.14Å; L51-V58 HydrophobicContact CB-CG1 3.74Å; L51-V58 HydrophobicContact CD1-CG1 4.44Å; L51-Y62 HydrophobicContact CD1-CE2 4.09Å |
| 52 | G | 92.4 | Very high | 95.8 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -14.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A48 N54 D55 | A48-G52 WeakPolarHBondContact O-CA 3.38Å; A48-G52 PolarHBondContact O-N 3.17Å; G52-N54 PolarHBondContact O-N 3.44Å; G52-D55 WeakPolarHBondContact CA-O 3.47Å; G52-D55 CarbonylContact O-C 3.35Å; G52-D55 PolarHBondContact O-N 3.42Å |
| 53 | K | 86.3 | Confident | 95.8 | Very high | 65 Ų | 65 | 51.5 Ų | 51.5 | 28% | 0.283 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -40.4 | 174.3 | 177.8 | 171.6 | 171.7 | 151.4 | 0 | 112.7 | L51 D211 L213 E216 | L51-K53 PolarHBondContact O-N 3.14Å; K53-D211 IonicContact NZ-OD1 2.92Å; K53-D211 PolarHBondContact NZ-OD1 3.23Å; K53-L213 HydrophobicContact CB-CB 4.49Å; K53-E216 WeakPolarHBondContact CE-OE2 3.36Å; K53-E216 IonicContact NZ-OE2 3.3Å; K53-E216 PolarHBondContact NZ-OE2 3.41Å |
| 54 | N | 86.7 | Confident | 95.7 | Very high | 149 Ų | 149 | 56.6 Ų | 56.6 | 80% | 0.797 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -6.6 | -177.5 | -61.4 | -44.7 | 0 | 0 | 0 | 113.4 | G52 | G52-N54 PolarHBondContact O-N 3.44Š|
| 55 | D | 94.4 | Very high | 95.7 | Very high | 73 Ų | 73 | 58.6 Ų | 58.6 | 39% | 0.39 | 28% | 0.284 | S | S | . | . | trans | -148 | 101.1 | -174.9 | -171.4 | -24.1 | 0 | 0 | 0 | 111.6 | G52 Q57 V58 Y59 | G52-D55 WeakPolarHBondContact CA-O 3.47Å; G52-D55 CarbonylContact O-C 3.35Å; G52-D55 PolarHBondContact O-N 3.42Å; D55-Q57 PolarHBondContact O-N 2.97Å; D55-Q57 WeakPolarHBondContact OD1-CA 3.43Å; D55-Q57 VanDerWaalsContact OD1-CB 3.29Å; D55-Q57 WeakPolarHBondContact OD1-CB 3.43Å; D55-Q57 PolarHBondContact OD1-N 3.17Å; D55-V58 HydrophobicContact CB-CB 3.94Å; D55-V58 HydrophobicContact CB-CG2 3.91Å; D55-V58 VanDerWaalsContact CG-CG2 3.47Å; D55-V58 PolarHBondContact O-N 2.93Å; D55-V58 PolarHBondContact OD1-N 3.3Å; D55-V58 VanDerWaalsContact OD2-CG2 3.29Å; D55-V58 WeakPolarHBondContact OD2-CG2 3.48Å; D55-Y59 PolarHBondContact O-N 2.9Å | ||
| 56 | K | 93.8 | Very high | 95.8 | Very high | 187 Ų | 187 | 57 Ų | 57 | 81% | 0.813 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63 | -27.6 | 178.3 | -66 | -174.7 | 179.2 | -177.7 | 0 | 113.1 | K60 | K56-K60 WeakPolarHBondContact O-CB 3.48Å; K56-K60 PolarHBondContact O-N 3.38Å |
| 57 | Q | 96.3 | Very high | 95.8 | Very high | 127 Ų | 127 | 57.3 Ų | 57.3 | 59% | 0.593 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -73.7 | -38 | 177.9 | -173.5 | 60.3 | 29.6 | 0 | 0 | 110.5 | D55 K60 K61 | D55-Q57 PolarHBondContact O-N 2.97Å; D55-Q57 WeakPolarHBondContact OD1-CA 3.43Å; D55-Q57 VanDerWaalsContact OD1-CB 3.29Å; D55-Q57 WeakPolarHBondContact OD1-CB 3.43Å; D55-Q57 PolarHBondContact OD1-N 3.17Å; Q57-K60 PolarHBondContact O-N 3.33Å; Q57-K61 WeakPolarHBondContact O-CB 3.49Å; Q57-K61 PolarHBondContact O-N 3.02Å |
| 58 | V | 96.4 | Very high | 95.8 | Very high | 37 Ų | 37 | 60.2 Ų | 60.2 | 22% | 0.224 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 171.4 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | L51 D55 K60 K61 Y62 | L51-V58 HydrophobicContact CB-CG1 3.74Å; L51-V58 HydrophobicContact CD1-CG1 4.44Å; D55-V58 HydrophobicContact CB-CB 3.94Å; D55-V58 HydrophobicContact CB-CG2 3.91Å; D55-V58 VanDerWaalsContact CG-CG2 3.47Å; D55-V58 PolarHBondContact O-N 2.93Å; D55-V58 PolarHBondContact OD1-N 3.3Å; D55-V58 VanDerWaalsContact OD2-CG2 3.29Å; D55-V58 WeakPolarHBondContact OD2-CG2 3.48Å; V58-K60 PolarHBondContact O-N 3.38Å; V58-K61 PolarHBondContact O-N 3.16Å; V58-Y62 HydrophobicContact CG1-CD2 3.75Å; V58-Y62 HydrophobicContact CG1-CE2 3.62Å; V58-Y62 WeakPolarHBondContact O-CD2 3.4Å; V58-Y62 PolarHBondContact O-N 3.23Å |
| 59 | Y | 97.3 | Very high | 95.9 | Very high | 23 Ų | 23 | 60.4 Ų | 60.4 | 9% | 0.09 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.9 | -56.1 | 173.5 | -175.4 | -91.3 | 0 | 0 | 0 | 110.6 | A48 D55 K61 Y62 I63 I97 L213 | A48-Y59 HydrophobicContact CB-CD2 3.89Å; A48-Y59 HydrophobicContact CB-CE2 4.08Å; A48-Y59 HydrophobicContact CB-CG 4.5Å; A48-Y59 WeakPolarHBondContact O-CD2 3.5Å; D55-Y59 PolarHBondContact O-N 2.9Å; Y59-K61 VanDerWaalsContact C-N 3.34Å; Y59-K61 PolarHBondContact O-N 3.33Å; Y59-Y62 PolarHBondContact O-N 2.65Å; Y59-I63 HydrophobicContact CD1-CG1 3.86Å; Y59-I63 HydrophobicContact CE1-CD1 4.18Å; Y59-I63 HydrophobicContact CE1-CG1 3.49Å; Y59-I63 VanDerWaalsContact CE1-CG1 3.49Å; Y59-I63 WeakPolarHBondContact O-CG1 3.37Å; Y59-I63 PolarHBondContact O-N 2.92Å; Y59-I97 HydrophobicContact CD1-CD1 3.93Å; Y59-I97 HydrophobicContact CD1-CG1 4.21Å; Y59-I97 HydrophobicContact CE1-CD1 3.89Å; Y59-I97 HydrophobicContact CE1-CG1 3.93Å; Y59-L213 HydrophobicContact CD2-CD2 3.67Å; Y59-L213 HydrophobicContact CE2-CD2 3.56Å |
| 60 | K | 97.7 | Very high | 96 | Very high | 79 Ų | 79 | 59.6 Ų | 59.6 | 34% | 0.343 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.3 | -46 | -179.3 | -178.5 | 176.1 | 174.7 | 180 | 0 | 112.4 | K56 Q57 V58 Y62 I63 E64 I97 | K56-K60 WeakPolarHBondContact O-CB 3.48Å; K56-K60 PolarHBondContact O-N 3.38Å; Q57-K60 PolarHBondContact O-N 3.33Å; V58-K60 PolarHBondContact O-N 3.38Å; K60-Y62 VanDerWaalsContact C-N 3.35Å; K60-Y62 PolarHBondContact O-N 3.09Å; K60-I63 PolarHBondContact O-N 3.02Å; K60-E64 WeakPolarHBondContact CE-OE1 3.41Å; K60-E64 HydrophobicContact CG-CG 4.42Å; K60-E64 IonicContact NZ-OE1 3.1Å; K60-E64 WeakPolarHBondContact O-CG 3.4Å; K60-E64 PolarHBondContact O-N 3.3Å; K60-I97 HydrophobicContact CB-CD1 4.16Å; K60-I97 HydrophobicContact CD-CG2 4.36Å; K60-I97 HydrophobicContact CG-CD1 4.16Å |
| 61 | K | 97.9 | Very high | 96.1 | Very high | 109 Ų | 109 | 60.2 Ų | 60.2 | 47% | 0.474 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -53.2 | -51.1 | 178 | 176.8 | -167.4 | 171.3 | -172 | 0 | 111.6 | Q57 V58 Y59 E64 E65 | Q57-K61 WeakPolarHBondContact O-CB 3.49Å; Q57-K61 PolarHBondContact O-N 3.02Å; V58-K61 PolarHBondContact O-N 3.16Å; Y59-K61 VanDerWaalsContact C-N 3.34Å; Y59-K61 PolarHBondContact O-N 3.33Å; K61-E64 PolarHBondContact O-N 3.09Å; K61-E65 WeakPolarHBondContact O-CB 3.4Å; K61-E65 PolarHBondContact O-N 3.35Å |
| 62 | Y | 98.4 | Very high | 96.3 | Very high | 18 Ų | 18 | 58.5 Ų | 58.5 | 7% | 0.071 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -73.1 | -28.2 | -177.6 | -74.7 | -60.1 | 0 | 0 | 0 | 112.7 | Y21 C44 L47 L51 V58 Y59 K60 G66 | Y21-Y62 HydrophobicContact CE2-CE1 4.41Å; C44-Y62 HydrophobicContact CB-CD1 4.44Å; C44-Y62 WeakPolarHBondContact CB-O 3.29Å; C44-Y62 WeakPolarHBondContact O-CB 3.41Å; L47-Y62 HydrophobicContact CB-CD1 4.09Å; L47-Y62 HydrophobicContact CB-CD2 3.78Å; L47-Y62 HydrophobicContact CB-CE1 4.05Å; L47-Y62 HydrophobicContact CB-CE2 3.72Å; L47-Y62 HydrophobicContact CB-CG 3.97Å; L47-Y62 HydrophobicContact CD1-CD1 4.22Å; L47-Y62 HydrophobicContact CD1-CE1 3.59Å; L47-Y62 HydrophobicContact CD1-CE2 4.42Å; L47-Y62 HydrophobicContact CG-CE1 4.45Å; L51-Y62 HydrophobicContact CD1-CE2 4.09Å; V58-Y62 HydrophobicContact CG1-CD2 3.75Å; V58-Y62 HydrophobicContact CG1-CE2 3.62Å; V58-Y62 WeakPolarHBondContact O-CD2 3.4Å; V58-Y62 PolarHBondContact O-N 3.23Å; Y59-Y62 PolarHBondContact O-N 2.65Å; K60-Y62 VanDerWaalsContact C-N 3.35Å; K60-Y62 PolarHBondContact O-N 3.09Å; Y62-G66 PolarHBondContact O-N 3.38Å |
| 63 | I | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64 | -46.7 | 170.2 | -64.6 | -47.2 | 0 | 0 | 0 | 111.4 | A48 Y59 K60 G66 L67 F90 L93 I97 | A48-I63 HydrophobicContact CB-CD1 3.92Å; A48-I63 HydrophobicContact CB-CG1 4.42Å; Y59-I63 HydrophobicContact CD1-CG1 3.86Å; Y59-I63 HydrophobicContact CE1-CD1 4.18Å; Y59-I63 HydrophobicContact CE1-CG1 3.49Å; Y59-I63 VanDerWaalsContact CE1-CG1 3.49Å; Y59-I63 WeakPolarHBondContact O-CG1 3.37Å; Y59-I63 PolarHBondContact O-N 2.92Å; K60-I63 PolarHBondContact O-N 3.02Å; I63-G66 PolarHBondContact O-N 3.08Å; I63-L67 WeakPolarHBondContact O-CB 3.5Å; I63-L67 PolarHBondContact O-N 3.46Å; I63-F90 HydrophobicContact CD1-CD1 4.21Å; I63-F90 HydrophobicContact CD1-CE1 3.85Å; I63-F90 HydrophobicContact CG2-CD1 4.25Å; I63-F90 VanDerWaalsContact O-CD1 3.32Å; I63-F90 WeakPolarHBondContact O-CD1 3.44Å; I63-L93 HydrophobicContact CD1-CB 3.84Å; I63-L93 HydrophobicContact CD1-CD1 3.81Å; I63-L93 HydrophobicContact CD1-CG 4.37Å; I63-L93 HydrophobicContact CG1-CB 4.41Å; I63-L93 HydrophobicContact CG2-CB 4.2Å; I63-I97 HydrophobicContact CB-CD1 3.97Å; I63-I97 HydrophobicContact CG1-CD1 4.08Å; I63-I97 HydrophobicContact CG2-CD1 3.97Å |
| 64 | E | 98.3 | Very high | 97.1 | Very high | 107 Ų | 107 | 56.2 Ų | 56.2 | 50% | 0.5 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 177.7 | -70.2 | 174 | 162.9 | 0 | 0 | 111.7 | K60 K61 L67 S68 | K60-E64 WeakPolarHBondContact CE-OE1 3.41Å; K60-E64 HydrophobicContact CG-CG 4.42Å; K60-E64 IonicContact NZ-OE1 3.1Å; K60-E64 WeakPolarHBondContact O-CG 3.4Å; K60-E64 PolarHBondContact O-N 3.3Å; K61-E64 PolarHBondContact O-N 3.09Å; E64-L67 PolarHBondContact O-N 3.16Å; E64-S68 WeakPolarHBondContact O-CB 3.28Å; E64-S68 PolarHBondContact O-N 3.14Å |
| 65 | E | 98.5 | Very high | 97.7 | Very high | 43 Ų | 43 | 57.8 Ų | 57.8 | 20% | 0.201 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.3 | -41 | 178.3 | -176.4 | 164.3 | -173.7 | 0 | 0 | 112.8 | Y21 K40 K61 S68 A69 | Y21-E65 PolarHBondContact OH-OE1 3.25Å; Y21-E65 PolarHBondContact OH-OE2 2.85Å; K40-E65 WeakPolarHBondContact CE-OE1 3.28Å; K40-E65 IonicContact NZ-OE1 2.72Å; K40-E65 PolarHBondContact NZ-OE1 3.45Å; K61-E65 WeakPolarHBondContact O-CB 3.4Å; K61-E65 PolarHBondContact O-N 3.35Å; E65-S68 PolarHBondContact O-N 2.63Å; E65-A69 WeakPolarHBondContact O-CB 3.42Å; E65-A69 PolarHBondContact O-N 3.3Å |
| 66 | G | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y62 I63 A69 C70 | Y62-G66 PolarHBondContact O-N 3.38Å; I63-G66 PolarHBondContact O-N 3.08Å; G66-A69 PolarHBondContact O-N 3.06Å; G66-C70 PolarHBondContact O-N 3.19Å; G66-C70 VanDerWaalsContact O-N 3.09Å; G66-C70 PolarHBondContact O-SG 2.87Å |
| 67 | L | 98.2 | Very high | 98 | Very high | 34 Ų | 34 | 52.3 Ų | 52.3 | 18% | 0.178 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.5 | -46.1 | 173.1 | -171.5 | 67.3 | 0 | 0 | 0 | 111.1 | I63 E64 A69 C70 D71 Y87 F90 L91 | I63-L67 WeakPolarHBondContact O-CB 3.5Å; I63-L67 PolarHBondContact O-N 3.46Å; E64-L67 PolarHBondContact O-N 3.16Å; L67-A69 VanDerWaalsContact C-N 3.33Å; L67-A69 PolarHBondContact O-N 2.86Å; L67-C70 WeakPolarHBondContact O-CB 3.19Å; L67-C70 PolarHBondContact O-N 3.27Å; L67-D71 PolarHBondContact O-N 3.12Å; L67-Y87 HydrophobicContact CD1-CD2 3.55Å; L67-Y87 HydrophobicContact CD1-CE2 3.36Å; L67-Y87 HydrophobicContact CG-CD2 4.48Å; L67-Y87 HydrophobicContact CG-CE2 4.04Å; L67-F90 HydrophobicContact CB-CB 4.02Å; L67-F90 HydrophobicContact CB-CG 4.47Å; L67-F90 HydrophobicContact CD1-CB 3.62Å; L67-F90 HydrophobicContact CG-CB 4.43Å; L67-L91 HydrophobicContact CD1-CD2 4.12Å; L67-L91 HydrophobicContact CD1-CG 4.22Å |
| 68 | S | 98.4 | Very high | 98 | Very high | 64 Ų | 64 | 49.9 Ų | 49.9 | 45% | 0.448 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.5 | -37.2 | 176.2 | -178.8 | 0 | 0 | 0 | 0 | 112.7 | E64 E65 C70 D71 E72 | E64-S68 WeakPolarHBondContact O-CB 3.28Å; E64-S68 PolarHBondContact O-N 3.14Å; E65-S68 PolarHBondContact O-N 2.63Å; S68-C70 VanDerWaalsContact C-N 3.35Å; S68-D71 PolarHBondContact O-N 3.3Å; S68-E72 WeakPolarHBondContact O-CG 3.38Å; S68-E72 PolarHBondContact O-N 3.38Å |
| 69 | A | 98.7 | Very high | 98 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y37 K40 A41 E65 G66 L67 E72 G73 | Y37-A69 WeakPolarHBondContact CB-O 3.34Å; Y37-A69 HydrophobicContact CD1-CB 4.33Å; Y37-A69 WeakPolarHBondContact CD1-O 3.39Å; K40-A69 HydrophobicContact CB-CB 4.28Å; K40-A69 HydrophobicContact CD-CB 4.17Å; K40-A69 HydrophobicContact CG-CB 4.19Å; A41-A69 HydrophobicContact CB-CB 4.31Å; E65-A69 WeakPolarHBondContact O-CB 3.42Å; E65-A69 PolarHBondContact O-N 3.3Å; G66-A69 PolarHBondContact O-N 3.06Å; L67-A69 VanDerWaalsContact C-N 3.33Å; L67-A69 PolarHBondContact O-N 2.86Å; A69-E72 PolarHBondContact O-N 3.03Å; A69-G73 PolarHBondContact O-N 2.71Å |
| 70 | C | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 175.4 | -65.5 | 0 | 0 | 0 | 0 | 112.1 | A41 G66 L67 S68 E72 G73 L74 W86 Y87 | A41-C70 WeakPolarHBondContact CB-SG 3.39Å; G66-C70 PolarHBondContact O-N 3.19Å; G66-C70 VanDerWaalsContact O-N 3.09Å; G66-C70 PolarHBondContact O-SG 2.87Å; L67-C70 WeakPolarHBondContact O-CB 3.19Å; L67-C70 PolarHBondContact O-N 3.27Å; S68-C70 VanDerWaalsContact C-N 3.35Å; C70-E72 PolarHBondContact O-N 3.04Å; C70-G73 PolarHBondContact O-N 3.17Å; C70-L74 WeakPolarHBondContact O-CG 3.19Å; C70-L74 PolarHBondContact O-N 3.37Å; C70-W86 VanDerWaalsContact SG-C 3.57Å; C70-W86 VanDerWaalsContact SG-CB 3.55Å; C70-Y87 HydrophobicContact CB-CD2 3.63Å; C70-Y87 HydrophobicContact CB-CG 4.2Å |
| 71 | D | 98 | Very high | 97.9 | Very high | 52 Ų | 52 | 50.1 Ų | 50.1 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.5 | -45.3 | 175.6 | -86.5 | -32.9 | 0 | 0 | 0 | 112.1 | L67 S68 G73 L74 R75 Y87 | L67-D71 PolarHBondContact O-N 3.12Å; S68-D71 PolarHBondContact O-N 3.3Å; D71-G73 VanDerWaalsContact C-N 3.34Å; D71-G73 PolarHBondContact O-N 3.33Å; D71-L74 PolarHBondContact O-N 2.88Å; D71-R75 WeakPolarHBondContact O-CG 3.28Å; D71-R75 PolarHBondContact O-N 2.95Å; D71-Y87 WeakPolarHBondContact OD1-CE2 3.4Å; D71-Y87 VanDerWaalsContact OD1-CZ 3.28Å; D71-Y87 PolarHBondContact OD1-OH 3.25Å |
| 72 | E | 98.5 | Very high | 97.8 | Very high | 51 Ų | 51 | 47 Ų | 47 | 24% | 0.238 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.3 | -39.3 | 176.5 | -71.5 | -63.5 | 127.7 | 0 | 0 | 112.2 | Y37 S68 A69 C70 R75 I76 | Y37-E72 HydrophobicContact CD1-CB 3.79Å; Y37-E72 HydrophobicContact CD2-CB 4.42Å; Y37-E72 HydrophobicContact CE1-CB 3.45Å; Y37-E72 VanDerWaalsContact CE1-CB 3.45Å; Y37-E72 HydrophobicContact CE1-CG 4.16Å; Y37-E72 HydrophobicContact CE2-CB 4.14Å; Y37-E72 HydrophobicContact CG-CB 4.26Å; S68-E72 WeakPolarHBondContact O-CG 3.38Å; S68-E72 PolarHBondContact O-N 3.38Å; A69-E72 PolarHBondContact O-N 3.03Å; C70-E72 PolarHBondContact O-N 3.04Å; E72-R75 PolarHBondContact O-N 3.47Å; E72-R75 IonicContact OE1-CZ 3.96Å; E72-R75 IonicContact OE1-NH1 3.52Å; E72-R75 PolarHBondContact OE1-NH1 3.02Å; E72-I76 PolarHBondContact O-N 2.89Å |
| 73 | G | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.9 | -45.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A69 C70 D71 R75 I76 D77 | A69-G73 PolarHBondContact O-N 2.71Å; C70-G73 PolarHBondContact O-N 3.17Å; D71-G73 VanDerWaalsContact C-N 3.34Å; D71-G73 PolarHBondContact O-N 3.33Å; G73-R75 VanDerWaalsContact C-N 3.34Å; G73-R75 PolarHBondContact O-N 2.98Å; G73-I76 PolarHBondContact O-N 3.21Å; G73-D77 PolarHBondContact O-N 3.34Å |
| 74 | L | 98.2 | Very high | 97.8 | Very high | 21 Ų | 21 | 46.2 Ų | 46.2 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.4 | -25.9 | 179.1 | -71.1 | 174.7 | 0 | 0 | 0 | 113.5 | C70 D71 I76 D77 P78 C83 N84 Y87 | C70-L74 WeakPolarHBondContact O-CG 3.19Å; C70-L74 PolarHBondContact O-N 3.37Å; D71-L74 PolarHBondContact O-N 2.88Å; L74-I76 VanDerWaalsContact C-N 3.26Å; L74-I76 PolarHBondContact O-N 3.49Å; L74-D77 CarbonylContact O-C 3.6Å; L74-P78 WeakPolarHBondContact O-CA 3.28Å; L74-P78 WeakPolarHBondContact O-CD 3.49Å; L74-P78 WeakPolarHBondContact O-CG 3.1Å; L74-P78 VanDerWaalsContact O-N 3.12Å; L74-C83 HydrophobicContact CD2-CB 3.71Å; L74-C83 HydrophobicContact CG-CB 3.85Å; L74-N84 HydrophobicContact CD2-CB 4.42Å; L74-N84 VanDerWaalsContact CD2-ND2 3.32Å; L74-N84 WeakPolarHBondContact CD2-ND2 3.24Å; L74-Y87 HydrophobicContact CD1-CD1 3.99Å; L74-Y87 HydrophobicContact CD1-CD2 4.37Å; L74-Y87 HydrophobicContact CD1-CG 3.81Å |
| 75 | R | 98.2 | Very high | 97.8 | Very high | 183 Ų | 183 | 41.1 Ų | 41.1 | 69% | 0.691 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -65.5 | -31.4 | 170.7 | -79 | 174.6 | -179.5 | 161.2 | 2.8 | 112.5 | D71 E72 G73 | D71-R75 WeakPolarHBondContact O-CG 3.28Å; D71-R75 PolarHBondContact O-N 2.95Å; E72-R75 PolarHBondContact O-N 3.47Å; E72-R75 IonicContact OE1-CZ 3.96Å; E72-R75 IonicContact OE1-NH1 3.52Å; E72-R75 PolarHBondContact OE1-NH1 3.02Å; G73-R75 VanDerWaalsContact C-N 3.34Å; G73-R75 PolarHBondContact O-N 2.98Å |
| 76 | I | 98 | Very high | 97.8 | Very high | 82 Ų | 82 | 39.6 Ų | 39.6 | 42% | 0.421 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -84.4 | -45 | 178.3 | -64.5 | 162.8 | 0 | 0 | 0 | 110.7 | K32 P34 Y37 E72 G73 L74 | K32-I76 HydrophobicContact CB-CD1 3.97Å; P34-I76 HydrophobicContact CG-CB 4.09Å; P34-I76 HydrophobicContact CG-CG2 3.86Å; Y37-I76 HydrophobicContact CD2-CD1 4.12Å; Y37-I76 HydrophobicContact CE2-CD1 3.57Å; E72-I76 PolarHBondContact O-N 2.89Å; G73-I76 PolarHBondContact O-N 3.21Å; L74-I76 VanDerWaalsContact C-N 3.26Å; L74-I76 PolarHBondContact O-N 3.49Å |
| 77 | D | 97.4 | Very high | 97.8 | Very high | 63 Ų | 63 | 41.2 Ų | 41.2 | 34% | 0.337 | 21% | 0.207 | S | C | . | . | trans | -137.3 | 95.2 | 177.8 | 178.5 | 11.4 | 0 | 0 | 0 | 110.7 | P34 G73 L74 E79 S80 | P34-D77 HydrophobicContact CB-CB 4.43Å; P34-D77 HydrophobicContact CG-CB 3.65Å; G73-D77 PolarHBondContact O-N 3.34Å; L74-D77 CarbonylContact O-C 3.6Å; D77-E79 PolarHBondContact O-N 2.68Å; D77-E79 VanDerWaalsContact O-N 3.15Å; D77-E79 PolarHBondContact OD1-N 2.9Å; D77-S80 VanDerWaalsContact CG-N 3.32Å; D77-S80 WeakPolarHBondContact O-CB 3.42Å; D77-S80 PolarHBondContact O-N 2.63Å; D77-S80 VanDerWaalsContact O-N 3.12Å; D77-S80 PolarHBondContact OD1-N 2.9Å; D77-S80 WeakPolarHBondContact OD2-CA 3.47Å; D77-S80 WeakPolarHBondContact OD2-CB 3.42Å; D77-S80 PolarHBondContact OD2-N 3.23Å | ||
| 78 | P | 96.6 | Very high | 97.7 | Very high | 75 Ų | 75 | 39.6 Ų | 39.6 | 49% | 0.487 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -18.1 | 177.3 | -24 | 33.7 | 0 | 0 | 0 | 114.5 | L74 N84 | L74-P78 WeakPolarHBondContact O-CA 3.28Å; L74-P78 WeakPolarHBondContact O-CD 3.49Å; L74-P78 WeakPolarHBondContact O-CG 3.1Å; L74-P78 VanDerWaalsContact O-N 3.12Å; P78-N84 PolarHBondContact O-ND2 2.85Å |
| 79 | E | 95.4 | Very high | 97.7 | Very high | 119 Ų | 119 | 37 Ų | 37 | 56% | 0.556 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 1.3 | -179.9 | -59.6 | -52.1 | 127.9 | 0 | 0 | 112.9 | D77 S81 K115 | D77-E79 PolarHBondContact O-N 2.68Å; D77-E79 VanDerWaalsContact O-N 3.15Å; D77-E79 PolarHBondContact OD1-N 2.9Å; E79-S81 PolarHBondContact O-N 3.09Å; E79-K115 IonicContact OE1-NZ 2.63Å; E79-K115 PolarHBondContact OE1-NZ 3.5Å; E79-K115 IonicContact OE2-NZ 3.82Å; E79-K115 PolarHBondContact OE2-NZ 2.86Å |
| 80 | S | 96.2 | Very high | 97.7 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 6% | 0.063 | 18% | 0.177 | C | C | . | . | trans | -57.8 | 111.3 | 176.5 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | D77 K82 C83 N84 | D77-S80 VanDerWaalsContact CG-N 3.32Å; D77-S80 WeakPolarHBondContact O-CB 3.42Å; D77-S80 PolarHBondContact O-N 2.63Å; D77-S80 VanDerWaalsContact O-N 3.12Å; D77-S80 PolarHBondContact OD1-N 2.9Å; D77-S80 WeakPolarHBondContact OD2-CA 3.47Å; D77-S80 WeakPolarHBondContact OD2-CB 3.42Å; D77-S80 PolarHBondContact OD2-N 3.23Å; S80-K82 PolarHBondContact O-N 2.78Å; S80-C83 PolarHBondContact O-N 3.42Å; S80-C83 PolarHBondContact OG-N 3.37Å; S80-C83 PolarHBondContact OG-SG 3.32Å; S80-N84 WeakPolarHBondContact O-CB 3.33Å; S80-N84 PolarHBondContact O-N 2.92Å; S80-N84 PolarHBondContact O-ND2 3.05Å | ||
| 81 | S | 96.1 | Very high | 97.7 | Very high | 16 Ų | 16 | 37 Ų | 37 | 11% | 0.112 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.9 | -53.3 | -178 | -179.4 | 0 | 0 | 0 | 0 | 111 | E79 C83 N84 S85 A116 | E79-S81 PolarHBondContact O-N 3.09Å; S81-C83 PolarHBondContact O-N 3.23Å; S81-N84 PolarHBondContact O-N 3.46Å; S81-S85 PolarHBondContact O-N 3.26Å; S81-S85 PolarHBondContact O-OG 3.38Å; S81-S85 VanDerWaalsContact O-OG 3.12Å; S81-A116 WeakPolarHBondContact O-CB 3.07Å; S81-A116 PolarHBondContact OG-O 3.02Å |
| 82 | K | 97.2 | Very high | 97.6 | Very high | 44 Ų | 44 | 34.9 Ų | 34.9 | 19% | 0.191 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.9 | -42.7 | 179.9 | -66.7 | -63.7 | 179.3 | -159.9 | 0 | 112.5 | W38 S80 N84 S85 W86 D120 D123 | W38-K82 HydrophobicContact CB-CB 3.99Å; W38-K82 HydrophobicContact CD2-CB 3.79Å; W38-K82 HydrophobicContact CD2-CG 4.17Å; W38-K82 HydrophobicContact CG-CB 3.52Å; W38-K82 HydrophobicContact CG-CG 4.37Å; W38-K82 HydrophobicContact CZ2-CG 4.33Å; S80-K82 PolarHBondContact O-N 2.78Å; K82-N84 VanDerWaalsContact C-N 3.34Å; K82-N84 PolarHBondContact O-N 3.27Å; K82-S85 PolarHBondContact O-N 3.45Å; K82-W86 WeakPolarHBondContact O-CB 3.49Å; K82-W86 PolarHBondContact O-N 3.14Å; K82-D120 WeakPolarHBondContact CE-OD2 3.33Å; K82-D120 IonicContact NZ-OD2 2.71Å; K82-D120 PolarHBondContact NZ-OD2 3.2Å; K82-D123 IonicContact NZ-OD1 2.8Å; K82-D123 PolarHBondContact NZ-OD1 2.93Å; K82-D123 IonicContact NZ-OD2 2.67Å; K82-D123 PolarHBondContact NZ-OD2 3.46Å |
| 83 | C | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.9 | -39.4 | 178.2 | -61 | 0 | 0 | 0 | 0 | 111.7 | L74 S80 S81 Y87 | L74-C83 HydrophobicContact CD2-CB 3.71Å; L74-C83 HydrophobicContact CG-CB 3.85Å; S80-C83 PolarHBondContact O-N 3.42Å; S80-C83 PolarHBondContact OG-N 3.37Å; S80-C83 PolarHBondContact OG-SG 3.32Å; S81-C83 PolarHBondContact O-N 3.23Å; C83-Y87 WeakPolarHBondContact O-CB 3.43Å; C83-Y87 PolarHBondContact O-N 3Å |
| 84 | N | 98.1 | Very high | 97.5 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.4 | -47.9 | 174.6 | -83.6 | -82.2 | 0 | 0 | 0 | 111.2 | L74 P78 S80 S81 K82 W86 Y87 G88 H113 A116 | L74-N84 HydrophobicContact CD2-CB 4.42Å; L74-N84 VanDerWaalsContact CD2-ND2 3.32Å; L74-N84 WeakPolarHBondContact CD2-ND2 3.24Å; P78-N84 PolarHBondContact O-ND2 2.85Å; S80-N84 WeakPolarHBondContact O-CB 3.33Å; S80-N84 PolarHBondContact O-N 2.92Å; S80-N84 PolarHBondContact O-ND2 3.05Å; S81-N84 PolarHBondContact O-N 3.46Å; K82-N84 VanDerWaalsContact C-N 3.34Å; K82-N84 PolarHBondContact O-N 3.27Å; N84-W86 PolarHBondContact O-N 3.27Å; N84-Y87 PolarHBondContact O-N 3.41Å; N84-G88 PolarHBondContact O-N 2.86Å; N84-H113 HydrophobicContact CB-CB 4.29Å; N84-H113 PolarHBondContact OD1-ND1 3.34Å; N84-A116 HydrophobicContact CB-CB 3.89Å |
| 85 | S | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.3 | -50.9 | 177.1 | -63.9 | 0 | 0 | 0 | 0 | 112.2 | S81 K82 Y87 G88 I89 A116 T126 | S81-S85 PolarHBondContact O-N 3.26Å; S81-S85 PolarHBondContact O-OG 3.38Å; S81-S85 VanDerWaalsContact O-OG 3.12Å; K82-S85 PolarHBondContact O-N 3.45Å; S85-Y87 PolarHBondContact O-N 2.97Å; S85-G88 PolarHBondContact O-N 3.4Å; S85-I89 VanDerWaalsContact O-CG1 3.32Å; S85-I89 WeakPolarHBondContact O-CG1 3.32Å; S85-I89 PolarHBondContact O-N 2.87Å; S85-A116 WeakPolarHBondContact OG-CB 3.42Å; S85-T126 WeakPolarHBondContact CB-OG1 3.39Å; S85-T126 WeakPolarHBondContact OG-CG2 3.35Å; S85-T126 PolarHBondContact OG-OG1 2.88Å |
| 86 | W | 98.3 | Very high | 97.1 | Very high | 10 Ų | 10 | 26.1 Ų | 26.1 | 4% | 0.038 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.3 | -37.1 | 179.9 | -78.6 | 101.7 | 0 | 0 | 0 | 112 | W38 A41 N42 R45 C70 K82 N84 G88 I89 F90 V125 | W38-W86 HydrophobicContact CB-CG 4.5Å; W38-W86 AromaticContact CE3-CD1 3.82Å; W38-W86 AromaticContact CE3-NE1 3.43Å; W38-W86 AromaticContact CZ3-NE1 3.96Å; A41-W86 HydrophobicContact CB-CB 4.33Å; N42-W86 HydrophobicContact CB-CD2 4.45Å; N42-W86 HydrophobicContact CB-CH2 3.72Å; N42-W86 HydrophobicContact CB-CZ2 3.62Å; N42-W86 HydrophobicContact CB-CZ3 4.19Å; N42-W86 WeakPolarHBondContact ND2-CH2 3.46Å; N42-W86 WeakPolarHBondContact ND2-CZ2 3.45Å; R45-W86 HydrophobicContact CB-CZ3 3.97Å; R45-W86 HydrophobicContact CG-CZ3 4.41Å; C70-W86 VanDerWaalsContact SG-C 3.57Å; C70-W86 VanDerWaalsContact SG-CB 3.55Å; K82-W86 WeakPolarHBondContact O-CB 3.49Å; K82-W86 PolarHBondContact O-N 3.14Å; N84-W86 PolarHBondContact O-N 3.27Å; W86-G88 PolarHBondContact O-N 3.19Å; W86-I89 HydrophobicContact CD2-CD1 4.36Å; W86-I89 HydrophobicContact CE3-CD1 4.22Å; W86-I89 HydrophobicContact CE3-CG2 4.36Å; W86-I89 HydrophobicContact CZ3-CG2 4.43Å; W86-I89 WeakPolarHBondContact O-CB 3.24Å; W86-I89 PolarHBondContact O-N 3.32Å; W86-F90 HydrophobicContact CE3-CD2 4.25Å; W86-F90 AromaticContact CE3-CE2 3.76Å; W86-F90 HydrophobicContact CE3-CE2 3.76Å; W86-F90 HydrophobicContact CZ3-CE2 4.28Å; W86-F90 VanDerWaalsContact O-CD2 3.3Å; W86-F90 WeakPolarHBondContact O-CD2 3.44Å; W86-F90 PolarHBondContact O-N 3.45Å; W86-V125 HydrophobicContact CH2-CG1 4.48Å; W86-V125 HydrophobicContact CZ2-CG1 4.18Å |
| 87 | Y | 98.5 | Very high | 96.9 | Very high | 34 Ų | 34 | 25.4 Ų | 25.4 | 13% | 0.133 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.1 | -45.3 | 174.6 | -167.4 | -115.2 | 0 | 0 | 0 | 111.9 | L67 C70 D71 L74 C83 N84 S85 I89 F90 L91 H113 | L67-Y87 HydrophobicContact CD1-CD2 3.55Å; L67-Y87 HydrophobicContact CD1-CE2 3.36Å; L67-Y87 HydrophobicContact CG-CD2 4.48Å; L67-Y87 HydrophobicContact CG-CE2 4.04Å; C70-Y87 HydrophobicContact CB-CD2 3.63Å; C70-Y87 HydrophobicContact CB-CG 4.2Å; D71-Y87 WeakPolarHBondContact OD1-CE2 3.4Å; D71-Y87 VanDerWaalsContact OD1-CZ 3.28Å; D71-Y87 PolarHBondContact OD1-OH 3.25Å; L74-Y87 HydrophobicContact CD1-CD1 3.99Å; L74-Y87 HydrophobicContact CD1-CD2 4.37Å; L74-Y87 HydrophobicContact CD1-CG 3.81Å; C83-Y87 WeakPolarHBondContact O-CB 3.43Å; C83-Y87 PolarHBondContact O-N 3Å; N84-Y87 PolarHBondContact O-N 3.41Å; S85-Y87 PolarHBondContact O-N 2.97Å; Y87-I89 VanDerWaalsContact C-N 3.31Å; Y87-I89 PolarHBondContact O-N 2.75Å; Y87-F90 PolarHBondContact O-N 3.4Å; Y87-L91 HydrophobicContact CD1-CD1 3.85Å; Y87-L91 HydrophobicContact CD1-CG 4.27Å; Y87-L91 HydrophobicContact CE1-CD1 3.71Å; Y87-L91 HydrophobicContact CE1-CD2 4.38Å; Y87-L91 HydrophobicContact CE1-CG 4.13Å; Y87-L91 WeakPolarHBondContact O-CB 3.38Å; Y87-L91 WeakPolarHBondContact O-CG 3.2Å; Y87-L91 PolarHBondContact O-N 3.15Å; Y87-H113 AromaticContact CD1-CD2 3.55Å; Y87-H113 AromaticContact CD1-CE1 3.5Å; Y87-H113 AromaticContact CD1-CG 3.96Å; Y87-H113 AromaticContact CD1-ND1 3.92Å; Y87-H113 AromaticContact CD1-NE2 3.27Å; Y87-H113 VanDerWaalsContact CD1-NE2 3.27Å; Y87-H113 WeakPolarHBondContact CD1-NE2 3.18Å; Y87-H113 AromaticContact CE1-CD2 3.98Å; Y87-H113 AromaticContact CE1-CE1 3.88Å; Y87-H113 AromaticContact CE1-NE2 3.37Å; Y87-H113 WeakPolarHBondContact CE1-NE2 3.25Å |
| 88 | G | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.4 | -41.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N84 S85 W86 N92 M110 | N84-G88 PolarHBondContact O-N 2.86Å; S85-G88 PolarHBondContact O-N 3.4Å; W86-G88 PolarHBondContact O-N 3.19Å; G88-N92 PolarHBondContact O-N 3.38Å; G88-M110 WeakPolarHBondContact O-CE 3.4Å |
| 89 | I | 98.2 | Very high | 96.4 | Very high | 10 Ų | 10 | 25.7 Ų | 25.7 | 5% | 0.051 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.4 | -50 | 174.6 | -69.7 | 163 | 0 | 0 | 0 | 111 | S85 W86 Y87 L91 N92 L93 V125 A129 | S85-I89 VanDerWaalsContact O-CG1 3.32Å; S85-I89 WeakPolarHBondContact O-CG1 3.32Å; S85-I89 PolarHBondContact O-N 2.87Å; W86-I89 HydrophobicContact CD2-CD1 4.36Å; W86-I89 HydrophobicContact CE3-CD1 4.22Å; W86-I89 HydrophobicContact CE3-CG2 4.36Å; W86-I89 HydrophobicContact CZ3-CG2 4.43Å; W86-I89 WeakPolarHBondContact O-CB 3.24Å; W86-I89 PolarHBondContact O-N 3.32Å; Y87-I89 VanDerWaalsContact C-N 3.31Å; Y87-I89 PolarHBondContact O-N 2.75Å; I89-L91 PolarHBondContact O-N 3.34Å; I89-N92 WeakPolarHBondContact O-CB 3.39Å; I89-N92 PolarHBondContact O-N 3.2Å; I89-N92 VanDerWaalsContact O-N 3.08Å; I89-L93 HydrophobicContact CG2-CD1 3.85Å; I89-L93 HydrophobicContact CG2-CG 4.37Å; I89-L93 WeakPolarHBondContact O-CG 3.42Å; I89-L93 PolarHBondContact O-N 2.84Å; I89-V125 HydrophobicContact CD1-CG1 3.65Å; I89-A129 HydrophobicContact CD1-CB 4.1Å; I89-A129 HydrophobicContact CG1-CB 3.55Å |
| 90 | F | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.3 | -31 | -178.7 | -86.7 | -78.9 | 0 | 0 | 0 | 113.3 | A41 C44 R45 I63 L67 W86 Y87 N92 L93 S94 | A41-F90 HydrophobicContact CB-CD2 4.22Å; A41-F90 HydrophobicContact CB-CE2 3.64Å; A41-F90 HydrophobicContact CB-CZ 4.44Å; A41-F90 VanDerWaalsContact O-CE2 3.26Å; A41-F90 WeakPolarHBondContact O-CE2 3.43Å; A41-F90 WeakPolarHBondContact O-CZ 3.42Å; C44-F90 HydrophobicContact CB-CZ 4.2Å; R45-F90 HydrophobicContact CB-CE2 4.47Å; R45-F90 HydrophobicContact CB-CZ 3.88Å; I63-F90 HydrophobicContact CD1-CD1 4.21Å; I63-F90 HydrophobicContact CD1-CE1 3.85Å; I63-F90 HydrophobicContact CG2-CD1 4.25Å; I63-F90 VanDerWaalsContact O-CD1 3.32Å; I63-F90 WeakPolarHBondContact O-CD1 3.44Å; L67-F90 HydrophobicContact CB-CB 4.02Å; L67-F90 HydrophobicContact CB-CG 4.47Å; L67-F90 HydrophobicContact CD1-CB 3.62Å; L67-F90 HydrophobicContact CG-CB 4.43Å; W86-F90 HydrophobicContact CE3-CD2 4.25Å; W86-F90 AromaticContact CE3-CE2 3.76Å; W86-F90 HydrophobicContact CE3-CE2 3.76Å; W86-F90 HydrophobicContact CZ3-CE2 4.28Å; W86-F90 VanDerWaalsContact O-CD2 3.3Å; W86-F90 WeakPolarHBondContact O-CD2 3.44Å; W86-F90 PolarHBondContact O-N 3.45Å; Y87-F90 PolarHBondContact O-N 3.4Å; F90-N92 VanDerWaalsContact C-N 3.27Å; F90-N92 PolarHBondContact O-N 2.87Å; F90-L93 HydrophobicContact CD1-CD1 4.3Å; F90-L93 HydrophobicContact CE1-CD1 4.36Å; F90-L93 PolarHBondContact O-N 3.4Å; F90-S94 WeakPolarHBondContact O-CB 3.4Å; F90-S94 PolarHBondContact O-N 2.82Å; F90-S94 PolarHBondContact O-OG 2.64Å |
| 91 | L | 98.1 | Very high | 95.9 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.9 | -35.9 | 169.3 | -75.3 | 175.9 | 0 | 0 | 0 | 112 | L67 Y87 I89 S94 S95 N106 K109 M110 | L67-L91 HydrophobicContact CD1-CD2 4.12Å; L67-L91 HydrophobicContact CD1-CG 4.22Å; Y87-L91 HydrophobicContact CD1-CD1 3.85Å; Y87-L91 HydrophobicContact CD1-CG 4.27Å; Y87-L91 HydrophobicContact CE1-CD1 3.71Å; Y87-L91 HydrophobicContact CE1-CD2 4.38Å; Y87-L91 HydrophobicContact CE1-CG 4.13Å; Y87-L91 WeakPolarHBondContact O-CB 3.38Å; Y87-L91 WeakPolarHBondContact O-CG 3.2Å; Y87-L91 PolarHBondContact O-N 3.15Å; I89-L91 PolarHBondContact O-N 3.34Å; L91-S94 PolarHBondContact O-OG 3.45Å; L91-S94 VanDerWaalsContact O-OG 3.05Å; L91-S95 WeakPolarHBondContact O-CB 3.47Å; L91-S95 PolarHBondContact O-N 3.2Å; L91-S95 PolarHBondContact O-OG 2.73Å; L91-N106 HydrophobicContact CB-CB 4.26Å; L91-N106 HydrophobicContact CD2-CB 4.46Å; L91-N106 PolarHBondContact O-ND2 3.23Å; L91-K109 HydrophobicContact CD1-CB 3.74Å; L91-K109 HydrophobicContact CD2-CD 4.48Å; L91-M110 HydrophobicContact CB-CG 3.78Å; L91-M110 HydrophobicContact CB-SD 4.24Å; L91-M110 HydrophobicContact CD1-CG 3.92Å |
| 92 | N | 96.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 27.9 Ų | 27.9 | 4% | 0.043 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71 | -47.4 | 174.7 | -156.5 | 7.6 | 0 | 0 | 0 | 111.4 | G88 I89 F90 S94 S95 E96 M110 R132 E136 | G88-N92 PolarHBondContact O-N 3.38Å; I89-N92 WeakPolarHBondContact O-CB 3.39Å; I89-N92 PolarHBondContact O-N 3.2Å; I89-N92 VanDerWaalsContact O-N 3.08Å; F90-N92 VanDerWaalsContact C-N 3.27Å; F90-N92 PolarHBondContact O-N 2.87Å; N92-S94 PolarHBondContact O-N 3.48Å; N92-S95 WeakPolarHBondContact O-CA 3.32Å; N92-S95 VanDerWaalsContact O-CB 3.29Å; N92-S95 WeakPolarHBondContact O-CB 3.49Å; N92-S95 PolarHBondContact O-N 2.96Å; N92-S95 VanDerWaalsContact O-N 3.08Å; N92-E96 PolarHBondContact O-N 3.15Å; N92-E96 VanDerWaalsContact O-N 3.14Å; N92-M110 HydrophobicContact CB-CE 3.68Å; N92-M110 HydrophobicContact CB-SD 4.19Å; N92-R132 PolarHBondContact ND2-NE 2.96Å; N92-R132 PolarHBondContact ND2-NH2 3.35Å; N92-E136 PolarHBondContact ND2-OE2 3.32Å; N92-E136 PolarHBondContact OD1-OE2 2.98Å |
| 93 | L | 96.8 | Very high | 95.6 | Very high | 6 Ų | 6 | 28.9 Ų | 28.9 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.5 | -41.3 | 179.6 | -63.8 | 171.7 | 0 | 0 | 0 | 112.1 | R45 I63 I89 F90 S95 E96 | R45-L93 HydrophobicContact CG-CD1 4.33Å; I63-L93 HydrophobicContact CD1-CB 3.84Å; I63-L93 HydrophobicContact CD1-CD1 3.81Å; I63-L93 HydrophobicContact CD1-CG 4.37Å; I63-L93 HydrophobicContact CG1-CB 4.41Å; I63-L93 HydrophobicContact CG2-CB 4.2Å; I89-L93 HydrophobicContact CG2-CD1 3.85Å; I89-L93 HydrophobicContact CG2-CG 4.37Å; I89-L93 WeakPolarHBondContact O-CG 3.42Å; I89-L93 PolarHBondContact O-N 2.84Å; F90-L93 HydrophobicContact CD1-CD1 4.3Å; F90-L93 HydrophobicContact CE1-CD1 4.36Å; F90-L93 PolarHBondContact O-N 3.4Å; L93-S95 VanDerWaalsContact C-N 3.27Å; L93-S95 PolarHBondContact O-N 3.05Å; L93-E96 WeakPolarHBondContact O-CB 3.16Å; L93-E96 PolarHBondContact O-N 2.62Å; L93-E96 VanDerWaalsContact O-N 3.16Å |
| 94 | S | 96.7 | Very high | 95.3 | Very high | 10 Ų | 10 | 29 Ų | 29 | 7% | 0.07 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63 | -36.2 | 174.4 | 64.9 | 0 | 0 | 0 | 0 | 112.1 | F90 L91 N92 E96 I97 E98 N106 | F90-S94 WeakPolarHBondContact O-CB 3.4Å; F90-S94 PolarHBondContact O-N 2.82Å; F90-S94 PolarHBondContact O-OG 2.64Å; L91-S94 PolarHBondContact O-OG 3.45Å; L91-S94 VanDerWaalsContact O-OG 3.05Å; N92-S94 PolarHBondContact O-N 3.48Å; S94-E96 VanDerWaalsContact C-N 3.27Å; S94-E96 PolarHBondContact O-N 3.33Å; S94-I97 WeakPolarHBondContact O-CB 3.19Å; S94-I97 PolarHBondContact O-N 3.21Å; S94-I97 VanDerWaalsContact O-N 3.09Å; S94-E98 PolarHBondContact O-N 3.4Å; S94-N106 PolarHBondContact OG-ND2 3.46Å |
| 95 | S | 95.1 | Very high | 95 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.4 | -22.4 | 176.3 | -55.4 | 0 | 0 | 0 | 0 | 114 | L91 N92 L93 I97 G99 R103 N106 | L91-S95 WeakPolarHBondContact O-CB 3.47Å; L91-S95 PolarHBondContact O-N 3.2Å; L91-S95 PolarHBondContact O-OG 2.73Å; N92-S95 WeakPolarHBondContact O-CA 3.32Å; N92-S95 VanDerWaalsContact O-CB 3.29Å; N92-S95 WeakPolarHBondContact O-CB 3.49Å; N92-S95 PolarHBondContact O-N 2.96Å; N92-S95 VanDerWaalsContact O-N 3.08Å; L93-S95 VanDerWaalsContact C-N 3.27Å; L93-S95 PolarHBondContact O-N 3.05Å; S95-I97 VanDerWaalsContact C-N 3.3Å; S95-G99 CarbonylContact O-C 3.51Å; S95-G99 WeakPolarHBondContact O-CA 3.39Å; S95-G99 PolarHBondContact O-N 3.2Å; S95-R103 VanDerWaalsContact CB-CA 3.43Å; S95-R103 WeakPolarHBondContact OG-CA 3.35Å; S95-N106 WeakPolarHBondContact OG-CB 3.2Å; S95-N106 PolarHBondContact OG-ND2 2.93Å |
| 96 | E | 92.3 | Very high | 94.9 | Very high | 55 Ų | 55 | 31.6 Ų | 31.6 | 26% | 0.257 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -69 | -32.8 | 171.2 | -66.6 | 174.2 | -166.4 | 0 | 0 | 111.3 | N92 L93 S94 R132 | N92-E96 PolarHBondContact O-N 3.15Å; N92-E96 VanDerWaalsContact O-N 3.14Å; L93-E96 WeakPolarHBondContact O-CB 3.16Å; L93-E96 PolarHBondContact O-N 2.62Å; L93-E96 VanDerWaalsContact O-N 3.16Å; S94-E96 VanDerWaalsContact C-N 3.27Å; S94-E96 PolarHBondContact O-N 3.33Å; E96-R132 IonicContact OE1-CZ 2.7Å; E96-R132 IonicContact OE1-NH1 2.68Å; E96-R132 PolarHBondContact OE1-NH1 2.66Å; E96-R132 IonicContact OE1-NH2 3.77Å; E96-R132 PolarHBondContact OE1-NH2 2.98Å |
| 97 | I | 94.1 | Very high | 94.8 | Very high | 68 Ų | 68 | 31.4 Ų | 31.4 | 35% | 0.349 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -76.4 | -46.2 | 176.8 | -53.7 | 173.6 | 0 | 0 | 0 | 110.8 | Y59 K60 I63 S94 S95 | Y59-I97 HydrophobicContact CD1-CD1 3.93Å; Y59-I97 HydrophobicContact CD1-CG1 4.21Å; Y59-I97 HydrophobicContact CE1-CD1 3.89Å; Y59-I97 HydrophobicContact CE1-CG1 3.93Å; K60-I97 HydrophobicContact CB-CD1 4.16Å; K60-I97 HydrophobicContact CD-CG2 4.36Å; K60-I97 HydrophobicContact CG-CD1 4.16Å; I63-I97 HydrophobicContact CB-CD1 3.97Å; I63-I97 HydrophobicContact CG1-CD1 4.08Å; I63-I97 HydrophobicContact CG2-CD1 3.97Å; S94-I97 WeakPolarHBondContact O-CB 3.19Å; S94-I97 PolarHBondContact O-N 3.21Å; S94-I97 VanDerWaalsContact O-N 3.09Å; S95-I97 VanDerWaalsContact C-N 3.3Å |
| 98 | E | 92.6 | Very high | 94.5 | Very high | 118 Ų | 118 | 32.1 Ų | 32.1 | 55% | 0.551 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -85.2 | -16.7 | -173.1 | -65.8 | -179.8 | -102 | 0 | 0 | 113.7 | S94 K102 | S94-E98 PolarHBondContact O-N 3.4Å; E98-K102 HydrophobicContact CB-CB 3.57Å; E98-K102 HydrophobicContact CB-CG 3.73Å; E98-K102 HydrophobicContact CG-CG 4.27Å; E98-K102 WeakPolarHBondContact OE2-CD 3.37Å; E98-K102 WeakPolarHBondContact OE2-CE 2.84Å |
| 99 | G | 92.3 | Very high | 94.4 | Very high | 25 Ų | 25 | 35.7 Ų | 35.7 | 26% | 0.258 | 18% | 0.176 | S | C | . | . | trans | 94.3 | -176.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S95 N101 K102 R103 | S95-G99 CarbonylContact O-C 3.51Å; S95-G99 WeakPolarHBondContact O-CA 3.39Å; S95-G99 PolarHBondContact O-N 3.2Å; G99-N101 VanDerWaalsContact C-N 3.35Å; G99-N101 PolarHBondContact O-N 2.57Å; G99-K102 PolarHBondContact O-N 3.09Å; G99-K102 VanDerWaalsContact O-N 3.17Å; G99-R103 PolarHBondContact O-N 3.32Å; G99-R103 VanDerWaalsContact O-N 3.09Å | ||
| 100 | I | 89.6 | Confident | 94.3 | Very high | 65 Ų | 65 | 35.3 Ų | 35.3 | 33% | 0.333 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.6 | -34 | -164 | -169.3 | 59.9 | 0 | 0 | 0 | 114.5 | R103 I104 L140 | I100-R103 HydrophobicContact CD1-CB 4.39Å; I100-R103 WeakPolarHBondContact O-CB 3.44Å; I100-R103 PolarHBondContact O-N 2.98Å; I100-I104 WeakPolarHBondContact O-CG1 3.3Å; I100-I104 PolarHBondContact O-N 3.24Å; I100-L140 HydrophobicContact CD1-CD2 4.27Å |
| 101 | N | 90.1 | Very high | 94.1 | Very high | 75 Ų | 75 | 41.1 Ų | 41.1 | 40% | 0.401 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -68.8 | -38.9 | -179.8 | -67.8 | -8.4 | 0 | 0 | 0 | 110.9 | G99 R103 I104 E105 K144 F147 | G99-N101 VanDerWaalsContact C-N 3.35Å; G99-N101 PolarHBondContact O-N 2.57Å; N101-R103 VanDerWaalsContact C-N 3.34Å; N101-I104 PolarHBondContact O-N 3.08Å; N101-E105 PolarHBondContact O-N 3.17Å; N101-E105 VanDerWaalsContact O-N 3.16Å; N101-K144 PolarHBondContact OD1-NZ 2.92Å; N101-F147 HydrophobicContact CB-CE1 4.37Å |
| 102 | K | 93.1 | Very high | 93.9 | Very high | 50 Ų | 50 | 46.3 Ų | 46.3 | 22% | 0.217 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.3 | -38.8 | 173.8 | -172.1 | 64.5 | 170.1 | -179.4 | 0 | 111.8 | E98 G99 I104 E105 N106 | E98-K102 HydrophobicContact CB-CB 3.57Å; E98-K102 HydrophobicContact CB-CG 3.73Å; E98-K102 HydrophobicContact CG-CG 4.27Å; E98-K102 WeakPolarHBondContact OE2-CD 3.37Å; E98-K102 WeakPolarHBondContact OE2-CE 2.84Å; G99-K102 PolarHBondContact O-N 3.09Å; G99-K102 VanDerWaalsContact O-N 3.17Å; K102-I104 VanDerWaalsContact C-N 3.29Å; K102-I104 PolarHBondContact O-N 3.38Å; K102-E105 WeakPolarHBondContact CD-OE2 3.11Å; K102-E105 VanDerWaalsContact NZ-CD 3.35Å; K102-E105 IonicContact NZ-OE1 3.72Å; K102-E105 PolarHBondContact NZ-OE1 2.85Å; K102-E105 VanDerWaalsContact NZ-OE1 3.15Å; K102-E105 IonicContact NZ-OE2 3.21Å; K102-E105 PolarHBondContact NZ-OE2 3.39Å; K102-E105 WeakPolarHBondContact O-CB 3.34Å; K102-E105 PolarHBondContact O-N 2.95Å; K102-N106 WeakPolarHBondContact O-CB 3.39Å; K102-N106 PolarHBondContact O-N 2.99Å |
| 103 | R | 93.7 | Very high | 93.9 | Very high | 66 Ų | 66 | 47.5 Ų | 47.5 | 25% | 0.249 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.3 | -43.1 | 173.6 | -159.6 | -178.2 | -47.5 | -152.9 | 1.4 | 112.4 | S95 G99 I100 N101 N106 S107 E136 | S95-R103 VanDerWaalsContact CB-CA 3.43Å; S95-R103 WeakPolarHBondContact OG-CA 3.35Å; G99-R103 PolarHBondContact O-N 3.32Å; G99-R103 VanDerWaalsContact O-N 3.09Å; I100-R103 HydrophobicContact CD1-CB 4.39Å; I100-R103 WeakPolarHBondContact O-CB 3.44Å; I100-R103 PolarHBondContact O-N 2.98Å; N101-R103 VanDerWaalsContact C-N 3.34Å; R103-N106 PolarHBondContact O-N 3.46Å; R103-S107 VanDerWaalsContact O-CB 3.3Å; R103-S107 WeakPolarHBondContact O-CB 3.43Å; R103-S107 PolarHBondContact O-N 3.22Å; R103-E136 IonicContact NH1-OE1 2.68Å; R103-E136 PolarHBondContact NH1-OE1 2.94Å |
| 104 | I | 92 | Very high | 93.8 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60 | -53.7 | 175.5 | -69.2 | 166.3 | 0 | 0 | 0 | 109.6 | I100 N101 K102 N106 S107 F108 L140 K144 F147 A148 F152 | I100-I104 WeakPolarHBondContact O-CG1 3.3Å; I100-I104 PolarHBondContact O-N 3.24Å; N101-I104 PolarHBondContact O-N 3.08Å; K102-I104 VanDerWaalsContact C-N 3.29Å; K102-I104 PolarHBondContact O-N 3.38Å; I104-N106 PolarHBondContact O-N 3.08Å; I104-S107 WeakPolarHBondContact O-CB 3.47Å; I104-S107 PolarHBondContact O-N 3.01Å; I104-S107 PolarHBondContact O-OG 3.2Å; I104-F108 HydrophobicContact CG2-CE2 4.14Å; I104-F108 WeakPolarHBondContact O-CD2 3.26Å; I104-L140 HydrophobicContact CD1-CD2 4.41Å; I104-L140 HydrophobicContact CG1-CD2 4.03Å; I104-K144 HydrophobicContact CD1-CB 4.02Å; I104-K144 HydrophobicContact CD1-CD 4.15Å; I104-F147 HydrophobicContact CD1-CD1 4.15Å; I104-A148 HydrophobicContact CG2-CB 3.41Å; I104-A148 VanDerWaalsContact CG2-CB 3.41Å; I104-F152 HydrophobicContact CG2-CD2 3.77Å; I104-F152 HydrophobicContact CG2-CE2 4Å |
| 105 | E | 93 | Very high | 93.5 | Very high | 55 Ų | 55 | 50.8 Ų | 50.8 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -53.8 | -51 | 177.4 | -175.3 | -159.2 | 145 | 0 | 0 | 111.8 | N101 K102 S107 F108 K109 F152 | N101-E105 PolarHBondContact O-N 3.17Å; N101-E105 VanDerWaalsContact O-N 3.16Å; K102-E105 WeakPolarHBondContact CD-OE2 3.11Å; K102-E105 VanDerWaalsContact NZ-CD 3.35Å; K102-E105 IonicContact NZ-OE1 3.72Å; K102-E105 PolarHBondContact NZ-OE1 2.85Å; K102-E105 VanDerWaalsContact NZ-OE1 3.15Å; K102-E105 IonicContact NZ-OE2 3.21Å; K102-E105 PolarHBondContact NZ-OE2 3.39Å; K102-E105 WeakPolarHBondContact O-CB 3.34Å; K102-E105 PolarHBondContact O-N 2.95Å; E105-S107 VanDerWaalsContact C-N 3.3Å; E105-S107 PolarHBondContact O-N 3.47Å; E105-F108 PolarHBondContact O-N 3.39Å; E105-K109 IonicContact OE1-NZ 2.64Å; E105-K109 PolarHBondContact OE1-NZ 3.43Å; E105-F152 HydrophobicContact CB-CD1 4.38Å; E105-F152 HydrophobicContact CB-CE1 3.8Å; E105-F152 HydrophobicContact CB-CE2 4.33Å; E105-F152 HydrophobicContact CB-CZ 3.77Å; E105-F152 HydrophobicContact CG-CD1 4.21Å; E105-F152 HydrophobicContact CG-CE1 3.7Å; E105-F152 HydrophobicContact CG-CZ 4.18Å |
| 106 | N | 95.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.5 | -27.7 | -177.2 | -78 | -11.2 | 0 | 0 | 0 | 112.4 | L91 S94 S95 K102 R103 I104 F108 K109 M110 | L91-N106 HydrophobicContact CB-CB 4.26Å; L91-N106 HydrophobicContact CD2-CB 4.46Å; L91-N106 PolarHBondContact O-ND2 3.23Å; S94-N106 PolarHBondContact OG-ND2 3.46Å; S95-N106 WeakPolarHBondContact OG-CB 3.2Å; S95-N106 PolarHBondContact OG-ND2 2.93Å; K102-N106 WeakPolarHBondContact O-CB 3.39Å; K102-N106 PolarHBondContact O-N 2.99Å; R103-N106 PolarHBondContact O-N 3.46Å; I104-N106 PolarHBondContact O-N 3.08Å; N106-F108 PolarHBondContact O-N 3.48Å; N106-K109 WeakPolarHBondContact O-CB 3.48Å; N106-K109 PolarHBondContact O-N 3.06Å; N106-K109 PolarHBondContact OD1-NZ 3.11Å; N106-M110 VanDerWaalsContact O-CG 3.25Å; N106-M110 WeakPolarHBondContact O-CG 3.39Å; N106-M110 PolarHBondContact O-N 2.88Å |
| 107 | S | 94.8 | Very high | 93.6 | Very high | 7 Ų | 7 | 49.3 Ų | 49.3 | 5% | 0.049 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.5 | -31.1 | 176.9 | 74.8 | 0 | 0 | 0 | 0 | 113.1 | R103 I104 E105 K111 W133 | R103-S107 VanDerWaalsContact O-CB 3.3Å; R103-S107 WeakPolarHBondContact O-CB 3.43Å; R103-S107 PolarHBondContact O-N 3.22Å; I104-S107 WeakPolarHBondContact O-CB 3.47Å; I104-S107 PolarHBondContact O-N 3.01Å; I104-S107 PolarHBondContact O-OG 3.2Å; E105-S107 VanDerWaalsContact C-N 3.3Å; E105-S107 PolarHBondContact O-N 3.47Å; S107-K111 PolarHBondContact O-N 3.42Å; S107-W133 PolarHBondContact O-NE1 2.84Å; S107-W133 VanDerWaalsContact O-NE1 3.12Å |
| 108 | F | 93.7 | Very high | 93.5 | Very high | 48 Ų | 48 | 54.6 Ų | 54.6 | 21% | 0.211 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68 | -42.5 | 173 | -70.3 | -100.8 | 0 | 0 | 0 | 111.5 | I104 E105 N106 K111 F152 G153 E154 P155 | I104-F108 HydrophobicContact CG2-CE2 4.14Å; I104-F108 WeakPolarHBondContact O-CD2 3.26Å; E105-F108 PolarHBondContact O-N 3.39Å; N106-F108 PolarHBondContact O-N 3.48Å; F108-K111 WeakPolarHBondContact O-CB 3.47Å; F108-F152 HydrophobicContact CD2-CB 4.04Å; F108-F152 HydrophobicContact CE1-CB 4.22Å; F108-F152 HydrophobicContact CE2-CB 3.5Å; F108-F152 HydrophobicContact CE2-CD2 4.39Å; F108-F152 HydrophobicContact CE2-CG 4.21Å; F108-F152 HydrophobicContact CZ-CB 3.59Å; F108-G153 WeakPolarHBondContact CZ-O 3.31Å; F108-E154 WeakPolarHBondContact CE1-O 3.45Å; F108-P155 HydrophobicContact CZ-CB 4.25Å |
| 109 | K | 95.2 | Very high | 93.5 | Very high | 76 Ų | 76 | 53.9 Ų | 53.9 | 33% | 0.33 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.9 | -47.5 | 177.3 | -61.3 | 176.4 | -169.1 | 161.7 | 0 | 110.6 | L91 E105 N106 K111 N112 H113 | L91-K109 HydrophobicContact CD1-CB 3.74Å; L91-K109 HydrophobicContact CD2-CD 4.48Å; E105-K109 IonicContact OE1-NZ 2.64Å; E105-K109 PolarHBondContact OE1-NZ 3.43Å; N106-K109 WeakPolarHBondContact O-CB 3.48Å; N106-K109 PolarHBondContact O-N 3.06Å; N106-K109 PolarHBondContact OD1-NZ 3.11Å; K109-K111 VanDerWaalsContact C-N 3.26Å; K109-K111 PolarHBondContact O-N 3.47Å; K109-N112 PolarHBondContact O-N 3.41Å; K109-H113 PolarHBondContact O-CD2 2.9Å |
| 110 | M | 96.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.1 | -40.4 | 179.6 | -69.1 | 165.8 | 70.6 | 0 | 0 | 112.5 | G88 L91 N92 N106 N112 H113 W114 W133 | G88-M110 WeakPolarHBondContact O-CE 3.4Å; L91-M110 HydrophobicContact CB-CG 3.78Å; L91-M110 HydrophobicContact CB-SD 4.24Å; L91-M110 HydrophobicContact CD1-CG 3.92Å; N92-M110 HydrophobicContact CB-CE 3.68Å; N92-M110 HydrophobicContact CB-SD 4.19Å; N106-M110 VanDerWaalsContact O-CG 3.25Å; N106-M110 WeakPolarHBondContact O-CG 3.39Å; N106-M110 PolarHBondContact O-N 2.88Å; M110-N112 PolarHBondContact O-N 3.34Å; M110-N112 VanDerWaalsContact O-N 3.12Å; M110-H113 PolarHBondContact O-N 2.94Å; M110-W114 HydrophobicContact CB-CZ2 4.22Å; M110-W114 HydrophobicContact CE-CH2 4.26Å; M110-W114 HydrophobicContact CE-CZ2 3.45Å; M110-W114 VanDerWaalsContact CE-CZ2 3.45Å; M110-W114 VanDerWaalsContact O-CG 3.31Å; M110-W114 PolarHBondContact O-N 3.45Å; M110-W114 VanDerWaalsContact O-N 3.09Å; M110-W133 HydrophobicContact CE-CB 4.2Å; M110-W133 HydrophobicContact CE-CG 4.21Å |
| 111 | K | 94.4 | Very high | 93.8 | Very high | 122 Ų | 122 | 55.4 Ų | 55.4 | 53% | 0.53 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -51.6 | -38 | 177.7 | -169.9 | -179.1 | -178.5 | 179.2 | 0 | 112.9 | S107 F108 K109 W133 P156 | S107-K111 PolarHBondContact O-N 3.42Å; F108-K111 WeakPolarHBondContact O-CB 3.47Å; K109-K111 VanDerWaalsContact C-N 3.26Å; K109-K111 PolarHBondContact O-N 3.47Å; K111-W133 HydrophobicContact CB-CH2 4.39Å; K111-W133 HydrophobicContact CB-CZ2 3.84Å; K111-W133 HydrophobicContact CD-CH2 4.49Å; K111-W133 HydrophobicContact CG-CH2 4.12Å; K111-W133 HydrophobicContact CG-CZ2 4.06Å; K111-P156 HydrophobicContact CD-CB 4.37Å |
| 112 | N | 93.7 | Very high | 94.1 | Very high | 113 Ų | 113 | 56.2 Ų | 56.2 | 60% | 0.604 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -75.2 | -27.8 | -179.1 | -64.1 | -31.9 | 0 | 0 | 0 | 112.7 | K109 M110 K115 | K109-N112 PolarHBondContact O-N 3.41Å; M110-N112 PolarHBondContact O-N 3.34Å; M110-N112 VanDerWaalsContact O-N 3.12Å; N112-K115 WeakPolarHBondContact O-CG 3.46Å |
| 113 | H | 96 | Very high | 94.2 | Very high | 32 Ų | 32 | 54.3 Ų | 54.3 | 15% | 0.148 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -85.1 | -21.8 | -179.5 | -66.5 | -70.1 | 0 | 0 | 0 | 112.9 | N84 Y87 K109 M110 K115 A116 | N84-H113 HydrophobicContact CB-CB 4.29Å; N84-H113 PolarHBondContact OD1-ND1 3.34Å; Y87-H113 AromaticContact CD1-CD2 3.55Å; Y87-H113 AromaticContact CD1-CE1 3.5Å; Y87-H113 AromaticContact CD1-CG 3.96Å; Y87-H113 AromaticContact CD1-ND1 3.92Å; Y87-H113 AromaticContact CD1-NE2 3.27Å; Y87-H113 VanDerWaalsContact CD1-NE2 3.27Å; Y87-H113 WeakPolarHBondContact CD1-NE2 3.18Å; Y87-H113 AromaticContact CE1-CD2 3.98Å; Y87-H113 AromaticContact CE1-CE1 3.88Å; Y87-H113 AromaticContact CE1-NE2 3.37Å; Y87-H113 WeakPolarHBondContact CE1-NE2 3.25Å; K109-H113 PolarHBondContact O-CD2 2.9Å; M110-H113 PolarHBondContact O-N 2.94Å; H113-K115 PolarHBondContact O-N 3.41Å; H113-A116 WeakPolarHBondContact O-CB 3.5Å; H113-A116 PolarHBondContact O-N 3.32Å |
| 114 | W | 94.6 | Very high | 94.4 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 5% | 0.049 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -5.1 | 173.3 | -59.6 | 152.3 | 0 | 0 | 0 | 115 | M110 A116 I117 A129 L130 W133 | M110-W114 HydrophobicContact CB-CZ2 4.22Å; M110-W114 HydrophobicContact CE-CH2 4.26Å; M110-W114 HydrophobicContact CE-CZ2 3.45Å; M110-W114 VanDerWaalsContact CE-CZ2 3.45Å; M110-W114 VanDerWaalsContact O-CG 3.31Å; M110-W114 PolarHBondContact O-N 3.45Å; M110-W114 VanDerWaalsContact O-N 3.09Å; W114-A116 PolarHBondContact O-N 3.35Å; W114-A116 VanDerWaalsContact O-N 3.13Å; W114-I117 VanDerWaalsContact O-CG2 3.31Å; W114-I117 WeakPolarHBondContact O-CG2 3.4Å; W114-I117 PolarHBondContact O-N 2.88Å; W114-A129 HydrophobicContact CH2-CB 3.63Å; W114-A129 HydrophobicContact CZ2-CB 4.35Å; W114-A129 HydrophobicContact CZ3-CB 4.1Å; W114-L130 HydrophobicContact CB-CD1 3.89Å; W114-L130 VanDerWaalsContact CD1-CD1 3.44Å; W114-L130 HydrophobicContact CD2-CD1 4.26Å; W114-L130 HydrophobicContact CG-CD1 3.63Å; W114-W133 AromaticContact CD1-CD2 3.79Å; W114-W133 AromaticContact CD1-CE3 4Å; W114-W133 HydrophobicContact CZ2-CB 4.07Å; W114-W133 HydrophobicContact CZ2-CG 4.45Å; W114-W133 AromaticContact NE1-CD1 3.54Å; W114-W133 AromaticContact NE1-CD2 3.4Å; W114-W133 AromaticContact NE1-CE2 3.88Å; W114-W133 AromaticContact NE1-CE3 3.99Å; W114-W133 AromaticContact NE1-CG 3.16Å; W114-W133 AromaticContact NE1-NE1 3.89Å |
| 115 | K | 91.5 | Very high | 94.7 | Very high | 73 Ų | 73 | 55.1 Ų | 55.1 | 32% | 0.317 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -24.9 | 163 | 70.6 | 179.7 | 179.3 | 164.4 | 0 | 112.9 | E79 N112 H113 I117 K118 | E79-K115 IonicContact OE1-NZ 2.63Å; E79-K115 PolarHBondContact OE1-NZ 3.5Å; E79-K115 IonicContact OE2-NZ 3.82Å; E79-K115 PolarHBondContact OE2-NZ 2.86Å; N112-K115 WeakPolarHBondContact O-CG 3.46Å; H113-K115 PolarHBondContact O-N 3.41Å; K115-I117 PolarHBondContact O-N 3.47Å; K115-K118 WeakPolarHBondContact O-CB 3.31Å; K115-K118 PolarHBondContact O-N 3.35Å |
| 116 | A | 92.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -52.7 | -35.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S81 N84 S85 H113 W114 K118 T119 D120 | S81-A116 WeakPolarHBondContact O-CB 3.07Å; S81-A116 PolarHBondContact OG-O 3.02Å; N84-A116 HydrophobicContact CB-CB 3.89Å; S85-A116 WeakPolarHBondContact OG-CB 3.42Å; H113-A116 WeakPolarHBondContact O-CB 3.5Å; H113-A116 PolarHBondContact O-N 3.32Å; W114-A116 PolarHBondContact O-N 3.35Å; W114-A116 VanDerWaalsContact O-N 3.13Å; A116-K118 PolarHBondContact O-N 2.87Å; A116-K118 VanDerWaalsContact O-N 3.15Å; A116-T119 PolarHBondContact O-N 3.39Å; A116-D120 PolarHBondContact O-N 2.82Å; A116-D120 VanDerWaalsContact O-N 3.12Å |
| 117 | I | 95 | Very high | 95.1 | Very high | 21 Ų | 21 | 52.6 Ų | 52.6 | 11% | 0.108 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64 | -21.9 | 179 | -160.4 | 64.2 | 0 | 0 | 0 | 112.8 | W114 K115 T119 D120 P121 T126 L127 L130 | W114-I117 VanDerWaalsContact O-CG2 3.31Å; W114-I117 WeakPolarHBondContact O-CG2 3.4Å; W114-I117 PolarHBondContact O-N 2.88Å; K115-I117 PolarHBondContact O-N 3.47Å; I117-T119 VanDerWaalsContact C-N 3.31Å; I117-D120 CarbonylContact O-C 3.39Å; I117-P121 WeakPolarHBondContact O-CA 3.42Å; I117-P121 VanDerWaalsContact O-N 3.17Å; I117-T126 HydrophobicContact CB-CG2 4.04Å; I117-T126 HydrophobicContact CD1-CG2 3.82Å; I117-T126 HydrophobicContact CG1-CG2 4.46Å; I117-L127 HydrophobicContact CD1-CD2 3.54Å; I117-L127 HydrophobicContact CD1-CG 3.66Å; I117-L127 HydrophobicContact CG1-CD2 4.03Å; I117-L130 HydrophobicContact CB-CD2 4.41Å; I117-L130 HydrophobicContact CG2-CD2 4.03Å |
| 118 | K | 93.8 | Very high | 95.3 | Very high | 180 Ų | 180 | 52.5 Ų | 52.5 | 78% | 0.783 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -71.7 | -29.6 | 175.5 | -62.1 | -179.6 | 177.9 | 179.4 | 0 | 112 | K115 A116 | K115-K118 WeakPolarHBondContact O-CB 3.31Å; K115-K118 PolarHBondContact O-N 3.35Å; A116-K118 PolarHBondContact O-N 2.87Å; A116-K118 VanDerWaalsContact O-N 3.15Å |
| 119 | T | 92.4 | Very high | 95.5 | Very high | 103 Ų | 103 | 50.6 Ų | 50.6 | 63% | 0.632 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -86.9 | -34.8 | -178.4 | -53 | 0 | 0 | 0 | 0 | 111.5 | A116 I117 | A116-T119 PolarHBondContact O-N 3.39Å; I117-T119 VanDerWaalsContact C-N 3.31Å |
| 120 | D | 92.6 | Very high | 95.6 | Very high | 50 Ų | 50 | 47.4 Ų | 47.4 | 27% | 0.267 | 24% | 0.24 | S | C | . | . | trans | -132 | 76.2 | 177.1 | -170.8 | 4.2 | 0 | 0 | 0 | 109.8 | K82 A116 I117 D122 D123 | K82-D120 WeakPolarHBondContact CE-OD2 3.33Å; K82-D120 IonicContact NZ-OD2 2.71Å; K82-D120 PolarHBondContact NZ-OD2 3.2Å; A116-D120 PolarHBondContact O-N 2.82Å; A116-D120 VanDerWaalsContact O-N 3.12Å; I117-D120 CarbonylContact O-C 3.39Å; D120-D122 PolarHBondContact O-N 3.26Å; D120-D123 HydrophobicContact CB-CB 4.24Å; D120-D123 WeakPolarHBondContact O-CB 3.39Å; D120-D123 PolarHBondContact O-N 3.42Å | ||
| 121 | P | 95.2 | Very high | 95.7 | Very high | 72 Ų | 72 | 47.3 Ų | 47.3 | 47% | 0.468 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -16.8 | -173.1 | 27.3 | -35.4 | 0 | 0 | 0 | 113.8 | I117 | I117-P121 WeakPolarHBondContact O-CA 3.42Å; I117-P121 VanDerWaalsContact O-N 3.17Å |
| 122 | D | 95.5 | Very high | 95.9 | Very high | 91 Ų | 91 | 42.3 Ų | 42.3 | 49% | 0.487 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 1.3 | -179 | -71.7 | -16.5 | 0 | 0 | 0 | 112.7 | D120 F124 K173 | D120-D122 PolarHBondContact O-N 3.26Å; D122-F124 PolarHBondContact O-N 3.48Å; D122-K173 HydrophobicContact CB-CD 4.46Å; D122-K173 WeakPolarHBondContact OD1-CE 3.47Å; D122-K173 IonicContact OD1-NZ 2.63Å; D122-K173 PolarHBondContact OD1-NZ 2.91Å; D122-K173 IonicContact OD2-NZ 3.42Å; D122-K173 PolarHBondContact OD2-NZ 3.39Å |
| 123 | D | 96.9 | Very high | 96.1 | Very high | 10 Ų | 10 | 37.8 Ų | 37.8 | 5% | 0.053 | 19% | 0.192 | C | C | . | . | trans | -69.7 | 94.3 | 177.5 | -173.5 | 12.9 | 0 | 0 | 0 | 111.8 | K82 D120 V125 T126 L127 | K82-D123 IonicContact NZ-OD1 2.8Å; K82-D123 PolarHBondContact NZ-OD1 2.93Å; K82-D123 IonicContact NZ-OD2 2.67Å; K82-D123 PolarHBondContact NZ-OD2 3.46Å; D120-D123 HydrophobicContact CB-CB 4.24Å; D120-D123 WeakPolarHBondContact O-CB 3.39Å; D120-D123 PolarHBondContact O-N 3.42Å; D123-V125 PolarHBondContact O-N 2.99Å; D123-V125 VanDerWaalsContact O-N 3.12Å; D123-V125 PolarHBondContact OD1-N 2.85Å; D123-T126 VanDerWaalsContact CG-OG1 3.3Å; D123-T126 WeakPolarHBondContact O-CA 3.33Å; D123-T126 WeakPolarHBondContact O-CB 3.36Å; D123-T126 PolarHBondContact O-N 3.18Å; D123-T126 PolarHBondContact OD2-OG1 2.97Å; D123-L127 PolarHBondContact O-N 3.39Å | ||
| 124 | F | 97.9 | Very high | 96.2 | Very high | 62 Ų | 62 | 36.4 Ų | 36.4 | 27% | 0.272 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -55.4 | -32.1 | 179.9 | 75.2 | -87.9 | 0 | 0 | 0 | 113.1 | D122 L127 H128 S170 K173 A174 T177 I178 | D122-F124 PolarHBondContact O-N 3.48Å; F124-L127 PolarHBondContact O-N 2.96Å; F124-H128 WeakPolarHBondContact O-CB 3.14Å; F124-H128 PolarHBondContact O-N 3.46Å; F124-S170 PolarHBondContact O-OG 3.34Å; F124-K173 HydrophobicContact CB-CB 3.82Å; F124-A174 HydrophobicContact CB-CB 3.97Å; F124-A174 HydrophobicContact CD1-CB 3.86Å; F124-A174 HydrophobicContact CD2-CB 3.46Å; F124-A174 VanDerWaalsContact CD2-CB 3.46Å; F124-A174 HydrophobicContact CE1-CB 4.18Å; F124-A174 HydrophobicContact CE2-CB 3.81Å; F124-A174 HydrophobicContact CG-CB 3.48Å; F124-A174 VanDerWaalsContact CG-CB 3.48Å; F124-A174 HydrophobicContact CZ-CB 4.15Å; F124-T177 HydrophobicContact CE2-CG2 3.83Å; F124-T177 HydrophobicContact CZ-CG2 4.21Å; F124-I178 HydrophobicContact CD2-CD1 3.56Å; F124-I178 HydrophobicContact CD2-CG1 4.21Å; F124-I178 HydrophobicContact CE2-CD1 3.69Å; F124-I178 HydrophobicContact CE2-CG1 3.99Å |
| 125 | V | 97.6 | Very high | 96.4 | Very high | 22 Ų | 22 | 36.1 Ų | 36.1 | 13% | 0.133 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.6 | -41.1 | 177.6 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | W86 I89 D123 A129 I178 | W86-V125 HydrophobicContact CH2-CG1 4.48Å; W86-V125 HydrophobicContact CZ2-CG1 4.18Å; I89-V125 HydrophobicContact CD1-CG1 3.65Å; D123-V125 PolarHBondContact O-N 2.99Å; D123-V125 VanDerWaalsContact O-N 3.12Å; D123-V125 PolarHBondContact OD1-N 2.85Å; V125-A129 WeakPolarHBondContact O-CB 3.44Å; V125-A129 PolarHBondContact O-N 3.27Å; V125-I178 HydrophobicContact CG2-CD1 4.43Å |
| 126 | T | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70 | -42.2 | 176.1 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | S85 I117 D123 H128 A129 L130 | S85-T126 WeakPolarHBondContact CB-OG1 3.39Å; S85-T126 WeakPolarHBondContact OG-CG2 3.35Å; S85-T126 PolarHBondContact OG-OG1 2.88Å; I117-T126 HydrophobicContact CB-CG2 4.04Å; I117-T126 HydrophobicContact CD1-CG2 3.82Å; I117-T126 HydrophobicContact CG1-CG2 4.46Å; D123-T126 VanDerWaalsContact CG-OG1 3.3Å; D123-T126 WeakPolarHBondContact O-CA 3.33Å; D123-T126 WeakPolarHBondContact O-CB 3.36Å; D123-T126 PolarHBondContact O-N 3.18Å; D123-T126 PolarHBondContact OD2-OG1 2.97Å; T126-H128 PolarHBondContact O-N 3.46Å; T126-A129 PolarHBondContact O-N 3.03Å; T126-L130 VanDerWaalsContact O-CB 3.31Å; T126-L130 WeakPolarHBondContact O-CB 3.28Å; T126-L130 PolarHBondContact O-N 3.12Å |
| 127 | L | 98.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.4 | -48 | 174.6 | -72.6 | 169.4 | 0 | 0 | 0 | 111.3 | I117 D123 F124 A129 L130 G131 Y166 D169 K173 | I117-L127 HydrophobicContact CD1-CD2 3.54Å; I117-L127 HydrophobicContact CD1-CG 3.66Å; I117-L127 HydrophobicContact CG1-CD2 4.03Å; D123-L127 PolarHBondContact O-N 3.39Å; F124-L127 PolarHBondContact O-N 2.96Å; L127-A129 PolarHBondContact O-N 3.24Å; L127-L130 PolarHBondContact O-N 3.3Å; L127-G131 PolarHBondContact O-N 3.23Å; L127-Y166 HydrophobicContact CD2-CD1 3.81Å; L127-D169 HydrophobicContact CD1-CB 4.11Å; L127-D169 HydrophobicContact CD2-CB 4.43Å; L127-K173 HydrophobicContact CD1-CG 4.18Å |
| 128 | H | 98.5 | Very high | 96.8 | Very high | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.023 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.4 | -50 | 174.7 | 168.4 | 57.5 | 0 | 0 | 0 | 111.8 | F124 T126 L130 G131 R132 I178 K180 N181 | F124-H128 WeakPolarHBondContact O-CB 3.14Å; F124-H128 PolarHBondContact O-N 3.46Å; T126-H128 PolarHBondContact O-N 3.46Å; H128-L130 VanDerWaalsContact C-N 3.35Å; H128-L130 PolarHBondContact O-N 2.7Å; H128-G131 PolarHBondContact O-N 3.33Å; H128-R132 WeakPolarHBondContact O-CB 3.38Å; H128-R132 PolarHBondContact O-N 3.08Å; H128-I178 HydrophobicContact CB-CD1 3.85Å; H128-K180 VanDerWaalsContact CE1-C 3.47Å; H128-N181 HydrophobicContact CB-CB 4.48Å; H128-N181 PolarHBondContact CE1-N 3.07Å; H128-N181 VanDerWaalsContact CE1-N 3.34Å; H128-N181 VanDerWaalsContact ND1-CA 3.33Å; H128-N181 WeakPolarHBondContact ND1-CA 3.36Å; H128-N181 WeakPolarHBondContact ND1-CB 3.13Å; H128-N181 PolarHBondContact ND1-OD1 3.14Å |
| 129 | A | 98.2 | Very high | 96.9 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 7% | 0.066 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64 | -40.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I89 W114 V125 T126 L127 W133 | I89-A129 HydrophobicContact CD1-CB 4.1Å; I89-A129 HydrophobicContact CG1-CB 3.55Å; W114-A129 HydrophobicContact CH2-CB 3.63Å; W114-A129 HydrophobicContact CZ2-CB 4.35Å; W114-A129 HydrophobicContact CZ3-CB 4.1Å; V125-A129 WeakPolarHBondContact O-CB 3.44Å; V125-A129 PolarHBondContact O-N 3.27Å; T126-A129 PolarHBondContact O-N 3.03Å; L127-A129 PolarHBondContact O-N 3.24Å; A129-W133 WeakPolarHBondContact O-CB 3.46Å; A129-W133 PolarHBondContact O-N 3.02Å |
| 130 | L | 98 | Very high | 96.9 | Very high | 10 Ų | 10 | 23.7 Ų | 23.7 | 5% | 0.052 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.2 | -45.9 | 175.3 | 179.2 | 54.6 | 0 | 0 | 0 | 111.4 | W114 I117 T126 L127 H128 R132 W133 C134 Y166 | W114-L130 HydrophobicContact CB-CD1 3.89Å; W114-L130 VanDerWaalsContact CD1-CD1 3.44Å; W114-L130 HydrophobicContact CD2-CD1 4.26Å; W114-L130 HydrophobicContact CG-CD1 3.63Å; I117-L130 HydrophobicContact CB-CD2 4.41Å; I117-L130 HydrophobicContact CG2-CD2 4.03Å; T126-L130 VanDerWaalsContact O-CB 3.31Å; T126-L130 WeakPolarHBondContact O-CB 3.28Å; T126-L130 PolarHBondContact O-N 3.12Å; L127-L130 PolarHBondContact O-N 3.3Å; H128-L130 VanDerWaalsContact C-N 3.35Å; H128-L130 PolarHBondContact O-N 2.7Å; L130-R132 VanDerWaalsContact C-N 3.31Å; L130-R132 PolarHBondContact O-N 2.87Å; L130-W133 HydrophobicContact CD1-CE3 4.01Å; L130-W133 WeakPolarHBondContact O-CB 3.49Å; L130-W133 PolarHBondContact O-N 3.09Å; L130-W133 VanDerWaalsContact O-N 3.11Å; L130-C134 PolarHBondContact O-N 2.89Å; L130-C134 PolarHBondContact O-SG 2.87Å; L130-C134 VanDerWaalsContact O-SG 3.37Å; L130-Y166 HydrophobicContact CD2-CD1 3.89Å; L130-Y166 HydrophobicContact CD2-CD2 4.09Å; L130-Y166 HydrophobicContact CD2-CE1 3.56Å; L130-Y166 HydrophobicContact CD2-CE2 3.78Å; L130-Y166 HydrophobicContact CD2-CG 4.15Å; L130-Y166 VanDerWaalsContact CD2-CZ 3.5Å; L130-Y166 HydrophobicContact CG-CD1 4.34Å; L130-Y166 HydrophobicContact CG-CD2 3.84Å; L130-Y166 HydrophobicContact CG-CE1 4.36Å; L130-Y166 HydrophobicContact CG-CE2 3.86Å; L130-Y166 HydrophobicContact CG-CG 4.1Å |
| 131 | G | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.7 | -40.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L127 H128 C134 F135 A163 | L127-G131 PolarHBondContact O-N 3.23Å; H128-G131 PolarHBondContact O-N 3.33Å; G131-C134 WeakPolarHBondContact O-CB 3.38Å; G131-C134 PolarHBondContact O-N 3.48Å; G131-F135 PolarHBondContact O-N 3.39Å; G131-A163 WeakPolarHBondContact O-CB 3.33Å |
| 132 | R | 98.2 | Very high | 96.7 | Very high | 17 Ų | 17 | 29.6 Ų | 29.6 | 6% | 0.064 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.9 | -47.4 | 170.7 | 171.2 | 171.7 | 178.7 | -165.7 | -5.6 | 111.7 | N92 E96 H128 L130 C134 F135 E136 Y184 | N92-R132 PolarHBondContact ND2-NE 2.96Å; N92-R132 PolarHBondContact ND2-NH2 3.35Å; E96-R132 IonicContact OE1-CZ 2.7Å; E96-R132 IonicContact OE1-NH1 2.68Å; E96-R132 PolarHBondContact OE1-NH1 2.66Å; E96-R132 IonicContact OE1-NH2 3.77Å; E96-R132 PolarHBondContact OE1-NH2 2.98Å; H128-R132 WeakPolarHBondContact O-CB 3.38Å; H128-R132 PolarHBondContact O-N 3.08Å; L130-R132 VanDerWaalsContact C-N 3.31Å; L130-R132 PolarHBondContact O-N 2.87Å; R132-C134 VanDerWaalsContact C-N 3.34Å; R132-C134 PolarHBondContact O-N 2.87Å; R132-F135 WeakPolarHBondContact O-CB 3.49Å; R132-F135 PolarHBondContact O-N 3.22Å; R132-E136 HydrophobicContact CG-CG 4.32Å; R132-E136 IonicContact CZ-OE1 3.71Å; R132-E136 IonicContact CZ-OE2 2.81Å; R132-E136 IonicContact NE-OE1 2.68Å; R132-E136 PolarHBondContact NE-OE1 3.02Å; R132-E136 IonicContact NE-OE2 3.18Å; R132-E136 PolarHBondContact NE-OE2 3.37Å; R132-E136 IonicContact NH2-OE1 2.78Å; R132-E136 PolarHBondContact NH2-OE1 3.47Å; R132-E136 IonicContact NH2-OE2 2.8Å; R132-E136 WeakPolarHBondContact O-CG 3.33Å; R132-E136 PolarHBondContact O-N 3.5Å; R132-Y184 HydrophobicContact CB-CD1 4.44Å; R132-Y184 HydrophobicContact CB-CD2 4.44Å; R132-Y184 HydrophobicContact CB-CE1 4.47Å; R132-Y184 HydrophobicContact CB-CE2 4.49Å; R132-Y184 HydrophobicContact CB-CG 4.44Å; R132-Y184 HydrophobicContact CG-CD1 4.28Å; R132-Y184 HydrophobicContact CG-CD2 4.26Å; R132-Y184 HydrophobicContact CG-CE1 3.84Å; R132-Y184 HydrophobicContact CG-CE2 3.83Å; R132-Y184 HydrophobicContact CG-CG 4.49Å; R132-Y184 PolarHBondContact NE-OH 2.92Å; R132-Y184 VanDerWaalsContact NE-OH 3.12Å |
| 133 | W | 98 | Very high | 96.5 | Very high | 17 Ų | 17 | 31 Ų | 31 | 6% | 0.064 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.4 | -45.4 | 177.5 | 175.4 | 89 | 0 | 0 | 0 | 111.3 | S107 M110 K111 W114 A129 L130 F135 E136 V137 P156 | S107-W133 PolarHBondContact O-NE1 2.84Å; S107-W133 VanDerWaalsContact O-NE1 3.12Å; M110-W133 HydrophobicContact CE-CB 4.2Å; M110-W133 HydrophobicContact CE-CG 4.21Å; K111-W133 HydrophobicContact CB-CH2 4.39Å; K111-W133 HydrophobicContact CB-CZ2 3.84Å; K111-W133 HydrophobicContact CD-CH2 4.49Å; K111-W133 HydrophobicContact CG-CH2 4.12Å; K111-W133 HydrophobicContact CG-CZ2 4.06Å; W114-W133 AromaticContact CD1-CD2 3.79Å; W114-W133 AromaticContact CD1-CE3 4Å; W114-W133 HydrophobicContact CZ2-CB 4.07Å; W114-W133 HydrophobicContact CZ2-CG 4.45Å; W114-W133 AromaticContact NE1-CD1 3.54Å; W114-W133 AromaticContact NE1-CD2 3.4Å; W114-W133 AromaticContact NE1-CE2 3.88Å; W114-W133 AromaticContact NE1-CE3 3.99Å; W114-W133 AromaticContact NE1-CG 3.16Å; W114-W133 AromaticContact NE1-NE1 3.89Å; A129-W133 WeakPolarHBondContact O-CB 3.46Å; A129-W133 PolarHBondContact O-N 3.02Å; L130-W133 HydrophobicContact CD1-CE3 4.01Å; L130-W133 WeakPolarHBondContact O-CB 3.49Å; L130-W133 PolarHBondContact O-N 3.09Å; L130-W133 VanDerWaalsContact O-N 3.11Å; W133-F135 VanDerWaalsContact C-N 3.33Å; W133-F135 PolarHBondContact O-N 3.35Å; W133-E136 PolarHBondContact O-N 3.21Å; W133-V137 HydrophobicContact CD2-CG1 4.01Å; W133-V137 HydrophobicContact CE3-CG2 4.33Å; W133-V137 HydrophobicContact CG-CG1 4.32Å; W133-V137 HydrophobicContact CH2-CG2 4.38Å; W133-V137 HydrophobicContact CZ2-CG1 3.93Å; W133-V137 HydrophobicContact CZ3-CG2 4.25Å; W133-V137 WeakPolarHBondContact O-CG1 3.14Å; W133-V137 WeakPolarHBondContact O-CG2 3.41Å; W133-V137 PolarHBondContact O-N 3.4Å; W133-P156 HydrophobicContact CH2-CB 3.85Å; W133-P156 HydrophobicContact CZ2-CB 3.49Å; W133-P156 VanDerWaalsContact CZ2-CB 3.49Å; W133-P156 HydrophobicContact CZ2-CG 3.98Å |
| 134 | C | 98.2 | Very high | 96.2 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.02 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.5 | -46.6 | 174.7 | -73.3 | 0 | 0 | 0 | 0 | 111.6 | L130 G131 R132 V137 T138 S158 A163 | L130-C134 PolarHBondContact O-N 2.89Å; L130-C134 PolarHBondContact O-SG 2.87Å; L130-C134 VanDerWaalsContact O-SG 3.37Å; G131-C134 WeakPolarHBondContact O-CB 3.38Å; G131-C134 PolarHBondContact O-N 3.48Å; R132-C134 VanDerWaalsContact C-N 3.34Å; R132-C134 PolarHBondContact O-N 2.87Å; C134-V137 WeakPolarHBondContact O-CG2 3.46Å; C134-T138 VanDerWaalsContact O-CB 3.28Å; C134-T138 WeakPolarHBondContact O-CB 3.45Å; C134-T138 PolarHBondContact O-N 3.32Å; C134-T138 PolarHBondContact O-OG1 3.25Å; C134-S158 VanDerWaalsContact CB-OG 3.26Å; C134-S158 WeakPolarHBondContact CB-OG 3.5Å; C134-S158 PolarHBondContact SG-OG 2.68Å; C134-A163 HydrophobicContact CB-CB 3.65Å |
| 135 | F | 98.5 | Very high | 95.9 | Very high | 8 Ų | 8 | 33.1 Ų | 33.1 | 4% | 0.035 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.5 | -51.9 | 175.4 | 179.6 | -83.2 | 0 | 0 | 0 | 111.1 | G131 R132 W133 V137 T138 D139 Y160 A163 Y184 K187 T188 R191 | G131-F135 PolarHBondContact O-N 3.39Å; R132-F135 WeakPolarHBondContact O-CB 3.49Å; R132-F135 PolarHBondContact O-N 3.22Å; W133-F135 VanDerWaalsContact C-N 3.33Å; W133-F135 PolarHBondContact O-N 3.35Å; F135-V137 PolarHBondContact O-N 3.25Å; F135-T138 PolarHBondContact O-N 3.44Å; F135-D139 HydrophobicContact CD1-CB 4.32Å; F135-D139 HydrophobicContact CE1-CB 3.99Å; F135-D139 HydrophobicContact CZ-CB 4.43Å; F135-D139 VanDerWaalsContact O-CB 3.32Å; F135-D139 WeakPolarHBondContact O-CB 3.45Å; F135-D139 PolarHBondContact O-N 3.43Å; F135-Y160 AromaticContact CD2-CD1 3.97Å; F135-Y160 HydrophobicContact CD2-CD1 3.97Å; F135-Y160 HydrophobicContact CD2-CE1 4.1Å; F135-Y160 HydrophobicContact CE2-CD1 4.18Å; F135-Y160 HydrophobicContact CE2-CE1 4.01Å; F135-A163 HydrophobicContact CB-CB 4.01Å; F135-Y184 HydrophobicContact CB-CD1 3.97Å; F135-Y184 HydrophobicContact CB-CE1 4.27Å; F135-Y184 AromaticContact CD1-CD1 3.8Å; F135-Y184 HydrophobicContact CD1-CD1 3.8Å; F135-Y184 AromaticContact CD1-CE1 3.53Å; F135-Y184 HydrophobicContact CD1-CE1 3.53Å; F135-Y184 HydrophobicContact CD2-CD1 4.49Å; F135-Y184 HydrophobicContact CE1-CD1 4.45Å; F135-Y184 HydrophobicContact CE1-CE1 4.14Å; F135-Y184 AromaticContact CG-CD1 3.82Å; F135-Y184 HydrophobicContact CG-CD1 3.82Å; F135-Y184 HydrophobicContact CG-CE1 4.03Å; F135-K187 HydrophobicContact CE2-CB 3.8Å; F135-K187 HydrophobicContact CZ-CB 3.81Å; F135-T188 VanDerWaalsContact CD2-OG1 3.28Å; F135-T188 WeakPolarHBondContact CD2-OG1 3.39Å; F135-R191 HydrophobicContact CE2-CG 3.85Å; F135-R191 HydrophobicContact CZ-CG 4.21Å |
| 136 | E | 96.1 | Very high | 95.6 | Very high | 26 Ų | 26 | 37.3 Ų | 37.3 | 12% | 0.121 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.2 | -41.2 | -174.5 | -72.9 | 179.4 | 133.3 | 0 | 0 | 112.2 | N92 R103 R132 W133 T138 D139 L140 Y184 | N92-E136 PolarHBondContact ND2-OE2 3.32Å; N92-E136 PolarHBondContact OD1-OE2 2.98Å; R103-E136 IonicContact NH1-OE1 2.68Å; R103-E136 PolarHBondContact NH1-OE1 2.94Å; R132-E136 HydrophobicContact CG-CG 4.32Å; R132-E136 IonicContact CZ-OE1 3.71Å; R132-E136 IonicContact CZ-OE2 2.81Å; R132-E136 IonicContact NE-OE1 2.68Å; R132-E136 PolarHBondContact NE-OE1 3.02Å; R132-E136 IonicContact NE-OE2 3.18Å; R132-E136 PolarHBondContact NE-OE2 3.37Å; R132-E136 IonicContact NH2-OE1 2.78Å; R132-E136 PolarHBondContact NH2-OE1 3.47Å; R132-E136 IonicContact NH2-OE2 2.8Å; R132-E136 WeakPolarHBondContact O-CG 3.33Å; R132-E136 PolarHBondContact O-N 3.5Å; W133-E136 PolarHBondContact O-N 3.21Å; E136-T138 VanDerWaalsContact C-N 3.34Å; E136-D139 PolarHBondContact O-N 2.68Å; E136-L140 WeakPolarHBondContact O-CG 3.49Å; E136-L140 PolarHBondContact O-N 3.18Å; E136-Y184 HydrophobicContact CG-CE1 4.23Å; E136-Y184 PolarHBondContact OE1-OH 2.79Å |
| 137 | V | 95.7 | Very high | 95.2 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.9 | -32.2 | 176 | -59 | 0 | 0 | 0 | 0 | 111.9 | W133 C134 F135 R145 P156 | W133-V137 HydrophobicContact CD2-CG1 4.01Å; W133-V137 HydrophobicContact CE3-CG2 4.33Å; W133-V137 HydrophobicContact CG-CG1 4.32Å; W133-V137 HydrophobicContact CH2-CG2 4.38Å; W133-V137 HydrophobicContact CZ2-CG1 3.93Å; W133-V137 HydrophobicContact CZ3-CG2 4.25Å; W133-V137 WeakPolarHBondContact O-CG1 3.14Å; W133-V137 WeakPolarHBondContact O-CG2 3.41Å; W133-V137 PolarHBondContact O-N 3.4Å; C134-V137 WeakPolarHBondContact O-CG2 3.46Å; F135-V137 PolarHBondContact O-N 3.25Å; V137-R145 PolarHBondContact O-NH2 2.87Å; V137-P156 HydrophobicContact CB-CG 4.49Å; V137-P156 HydrophobicContact CG1-CB 4.31Å; V137-P156 HydrophobicContact CG1-CG 3.89Å |
| 138 | T | 96.4 | Very high | 94.8 | Very high | 22 Ų | 22 | 40 Ų | 40 | 14% | 0.135 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.4 | -44.8 | 175 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | C134 F135 E136 L140 R145 S158 T159 Y160 | C134-T138 VanDerWaalsContact O-CB 3.28Å; C134-T138 WeakPolarHBondContact O-CB 3.45Å; C134-T138 PolarHBondContact O-N 3.32Å; C134-T138 PolarHBondContact O-OG1 3.25Å; F135-T138 PolarHBondContact O-N 3.44Å; E136-T138 VanDerWaalsContact C-N 3.34Å; T138-L140 PolarHBondContact O-N 3.43Å; T138-R145 PolarHBondContact O-NH2 2.91Å; T138-S158 PolarHBondContact OG1-O 3.18Å; T138-S158 VanDerWaalsContact OG1-O 3.09Å; T138-T159 WeakPolarHBondContact OG1-CA 3.09Å; T138-T159 PolarHBondContact OG1-N 2.92Å; T138-Y160 HydrophobicContact CG2-CD1 3.81Å; T138-Y160 HydrophobicContact CG2-CD2 3.99Å; T138-Y160 HydrophobicContact CG2-CE1 3.66Å; T138-Y160 HydrophobicContact CG2-CE2 3.85Å; T138-Y160 HydrophobicContact CG2-CG 3.98Å |
| 139 | D | 95.5 | Very high | 94.5 | Very high | 48 Ų | 48 | 42.1 Ų | 42.1 | 26% | 0.257 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -76.8 | -3.2 | -174.4 | -145 | 54.3 | 0 | 0 | 0 | 114.4 | F135 E136 P141 Y160 R191 | F135-D139 HydrophobicContact CD1-CB 4.32Å; F135-D139 HydrophobicContact CE1-CB 3.99Å; F135-D139 HydrophobicContact CZ-CB 4.43Å; F135-D139 VanDerWaalsContact O-CB 3.32Å; F135-D139 WeakPolarHBondContact O-CB 3.45Å; F135-D139 PolarHBondContact O-N 3.43Å; E136-D139 PolarHBondContact O-N 2.68Å; D139-P141 WeakPolarHBondContact O-CD 3.32Å; D139-Y160 HydrophobicContact CB-CE1 4.44Å; D139-Y160 PolarHBondContact OD1-OH 2.76Å; D139-R191 VanDerWaalsContact CG-NH2 3.26Å; D139-R191 IonicContact OD1-CZ 2.68Å; D139-R191 IonicContact OD1-NE 3.32Å; D139-R191 PolarHBondContact OD1-NE 3.13Å; D139-R191 IonicContact OD1-NH2 3.25Å; D139-R191 PolarHBondContact OD1-NH2 2.97Å; D139-R191 IonicContact OD2-CZ 3.75Å; D139-R191 IonicContact OD2-NE 2.87Å; D139-R191 IonicContact OD2-NH2 2.88Å; D139-R191 PolarHBondContact OD2-NH2 2.96Å |
| 140 | L | 92.8 | Very high | 94.2 | Very high | 19 Ų | 19 | 46.9 Ų | 46.9 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | trans | -56.6 | 121.8 | 176.8 | -82 | 175 | 0 | 0 | 0 | 111.3 | I100 I104 E136 T138 K144 R145 | I100-L140 HydrophobicContact CD1-CD2 4.27Å; I104-L140 HydrophobicContact CD1-CD2 4.41Å; I104-L140 HydrophobicContact CG1-CD2 4.03Å; E136-L140 WeakPolarHBondContact O-CG 3.49Å; E136-L140 PolarHBondContact O-N 3.18Å; T138-L140 PolarHBondContact O-N 3.43Å; L140-K144 HydrophobicContact CD2-CB 4.43Å; L140-R145 HydrophobicContact CB-CG 4.04Å; L140-R145 PolarHBondContact O-NE 2.86Å | ||
| 141 | P | 92.5 | Very high | 93.9 | Very high | 75 Ų | 75 | 52.9 Ų | 52.9 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | trans | -57.4 | 145.7 | 176 | -25.9 | 34.6 | 0 | 0 | 0 | 111.8 | D139 I143 K144 R145 | D139-P141 WeakPolarHBondContact O-CD 3.32Å; P141-I143 HydrophobicContact CB-CG2 4.39Å; P141-I143 PolarHBondContact O-N 3.07Å; P141-I143 VanDerWaalsContact O-N 3.12Å; P141-K144 HydrophobicContact CB-CG 4.46Å; P141-K144 CarbonylContact O-C 3.52Å; P141-K144 WeakPolarHBondContact O-CA 3.48Å; P141-K144 WeakPolarHBondContact O-CB 3.41Å; P141-K144 PolarHBondContact O-N 3.46Å; P141-R145 PolarHBondContact O-N 3.38Å | ||
| 142 | W | 90.7 | Very high | 93.5 | Very high | 171 Ų | 171 | 56.6 Ų | 56.6 | 65% | 0.648 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -52.9 | -39.6 | -177.6 | 175.3 | 91.7 | 0 | 0 | 0 | 113.9 | K144 R145 K146 | W142-K144 VanDerWaalsContact C-N 3.28Å; W142-K144 PolarHBondContact O-N 3.48Å; W142-R145 WeakPolarHBondContact O-CB 3.25Å; W142-R145 PolarHBondContact O-N 3.44Å; W142-K146 HydrophobicContact CD2-CD 4.15Å; W142-K146 HydrophobicContact CD2-CG 4.42Å; W142-K146 VanDerWaalsContact CE2-CE 3.49Å; W142-K146 HydrophobicContact CE3-CD 4.06Å; W142-K146 HydrophobicContact CH2-CD 3.63Å; W142-K146 HydrophobicContact CZ2-CD 3.67Å; W142-K146 HydrophobicContact CZ3-CD 3.78Å; W142-K146 PolarHBondContact O-N 3.24Å |
| 143 | I | 92.4 | Very high | 93.1 | Very high | 122 Ų | 122 | 57.3 Ų | 57.3 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.1 | -34.6 | 177.3 | -167.7 | 163.8 | 0 | 0 | 0 | 112.1 | P141 K146 F147 | P141-I143 HydrophobicContact CB-CG2 4.39Å; P141-I143 PolarHBondContact O-N 3.07Å; P141-I143 VanDerWaalsContact O-N 3.12Å; I143-K146 PolarHBondContact O-N 3.48Å; I143-F147 PolarHBondContact O-N 2.87Å; I143-F147 VanDerWaalsContact O-N 3.1Å |
| 144 | K | 90.7 | Very high | 92.7 | Very high | 59 Ų | 59 | 64.7 Ų | 64.7 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -74.3 | -33.3 | 174.9 | -68.8 | -60.9 | -170.2 | 177.1 | 0 | 111.9 | N101 I104 L140 P141 W142 F147 A148 | N101-K144 PolarHBondContact OD1-NZ 2.92Å; I104-K144 HydrophobicContact CD1-CB 4.02Å; I104-K144 HydrophobicContact CD1-CD 4.15Å; L140-K144 HydrophobicContact CD2-CB 4.43Å; P141-K144 HydrophobicContact CB-CG 4.46Å; P141-K144 CarbonylContact O-C 3.52Å; P141-K144 WeakPolarHBondContact O-CA 3.48Å; P141-K144 WeakPolarHBondContact O-CB 3.41Å; P141-K144 PolarHBondContact O-N 3.46Å; W142-K144 VanDerWaalsContact C-N 3.28Å; W142-K144 PolarHBondContact O-N 3.48Å; K144-F147 PolarHBondContact O-N 3.04Å; K144-A148 WeakPolarHBondContact O-CB 3.49Å; K144-A148 PolarHBondContact O-N 3.34Å |
| 145 | R | 90.5 | Very high | 92.2 | Very high | 57 Ų | 57 | 65.2 Ų | 65.2 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 170.5 | -68.5 | -174.6 | 177 | -83.5 | 2.6 | 112 | V137 T138 L140 P141 W142 A148 A149 P155 | V137-R145 PolarHBondContact O-NH2 2.87Å; T138-R145 PolarHBondContact O-NH2 2.91Å; L140-R145 HydrophobicContact CB-CG 4.04Å; L140-R145 PolarHBondContact O-NE 2.86Å; P141-R145 PolarHBondContact O-N 3.38Å; W142-R145 WeakPolarHBondContact O-CB 3.25Å; W142-R145 PolarHBondContact O-N 3.44Å; R145-A148 WeakPolarHBondContact O-CB 3.49Å; R145-A148 PolarHBondContact O-N 3.31Å; R145-A149 WeakPolarHBondContact O-CB 3.3Å; R145-A149 PolarHBondContact O-N 2.91Å; R145-P155 HydrophobicContact CB-CG 4.36Å |
| 146 | K | 91.4 | Very high | 91.9 | Very high | 109 Ų | 109 | 65.1 Ų | 65.1 | 47% | 0.474 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 174.7 | -76.8 | -170.3 | 156.6 | -173.4 | 0 | 112.9 | W142 I143 A148 A149 T150 | W142-K146 HydrophobicContact CD2-CD 4.15Å; W142-K146 HydrophobicContact CD2-CG 4.42Å; W142-K146 VanDerWaalsContact CE2-CE 3.49Å; W142-K146 HydrophobicContact CE3-CD 4.06Å; W142-K146 HydrophobicContact CH2-CD 3.63Å; W142-K146 HydrophobicContact CZ2-CD 3.67Å; W142-K146 HydrophobicContact CZ3-CD 3.78Å; W142-K146 PolarHBondContact O-N 3.24Å; I143-K146 PolarHBondContact O-N 3.48Å; K146-A148 VanDerWaalsContact C-N 3.34Å; K146-A149 PolarHBondContact O-N 3Å; K146-T150 PolarHBondContact O-N 3.15Å; K146-T150 VanDerWaalsContact O-N 3.14Å; K146-T150 PolarHBondContact O-OG1 2.95Å |
| 147 | F | 90.6 | Very high | 91.7 | Very high | 61 Ų | 61 | 68.6 Ų | 68.6 | 27% | 0.268 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.6 | -48.8 | 173.1 | 173.8 | -96 | 0 | 0 | 0 | 110.9 | N101 I104 I143 K144 A149 T150 F151 F152 | N101-F147 HydrophobicContact CB-CE1 4.37Å; I104-F147 HydrophobicContact CD1-CD1 4.15Å; I143-F147 PolarHBondContact O-N 2.87Å; I143-F147 VanDerWaalsContact O-N 3.1Å; K144-F147 PolarHBondContact O-N 3.04Å; F147-A149 PolarHBondContact O-N 2.86Å; F147-T150 PolarHBondContact O-N 3.27Å; F147-T150 VanDerWaalsContact O-N 3.17Å; F147-F151 AromaticContact CD2-CD2 3.51Å; F147-F151 HydrophobicContact CD2-CD2 3.51Å; F147-F151 AromaticContact CD2-CE2 3.53Å; F147-F151 HydrophobicContact CD2-CE2 3.53Å; F147-F151 HydrophobicContact CE1-CD2 4.47Å; F147-F151 AromaticContact CE2-CD2 3.32Å; F147-F151 HydrophobicContact CE2-CD2 3.32Å; F147-F151 AromaticContact CE2-CE2 3.36Å; F147-F151 HydrophobicContact CE2-CE2 3.36Å; F147-F151 HydrophobicContact CE2-CG 4.27Å; F147-F151 HydrophobicContact CE2-CZ 4.31Å; F147-F151 HydrophobicContact CG-CD2 4.16Å; F147-F151 AromaticContact CZ-CD2 3.85Å; F147-F151 HydrophobicContact CZ-CD2 3.85Å; F147-F151 HydrophobicContact CZ-CE2 4.28Å; F147-F151 HydrophobicContact CZ-CG 4.44Å; F147-F151 WeakPolarHBondContact O-CD2 3.45Å; F147-F151 PolarHBondContact O-N 3.34Å; F147-F152 AromaticContact CE1-CE2 3.93Å; F147-F152 HydrophobicContact CE1-CE2 3.93Å |
| 148 | A | 89 | Confident | 91.8 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.3 | -49 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I104 K144 R145 K146 T150 F151 F152 G153 P155 | I104-A148 HydrophobicContact CG2-CB 3.41Å; I104-A148 VanDerWaalsContact CG2-CB 3.41Å; K144-A148 WeakPolarHBondContact O-CB 3.49Å; K144-A148 PolarHBondContact O-N 3.34Å; R145-A148 WeakPolarHBondContact O-CB 3.49Å; R145-A148 PolarHBondContact O-N 3.31Å; K146-A148 VanDerWaalsContact C-N 3.34Å; A148-T150 PolarHBondContact O-N 3.12Å; A148-F151 PolarHBondContact O-N 3.33Å; A148-F152 PolarHBondContact O-N 3.12Å; A148-G153 CarbonylContact C-O 3.42Å; A148-G153 PolarHBondContact O-N 2.97Å; A148-G153 VanDerWaalsContact O-O 3.14Å; A148-P155 HydrophobicContact CB-CB 3.8Å; A148-P155 HydrophobicContact CB-CG 4.22Å |
| 149 | A | 92.8 | Very high | 91.9 | Very high | 50 Ų | 50 | 70.9 Ų | 70.9 | 41% | 0.413 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -54.5 | -38.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R145 K146 F147 G153 | R145-A149 WeakPolarHBondContact O-CB 3.3Å; R145-A149 PolarHBondContact O-N 2.91Å; K146-A149 PolarHBondContact O-N 3Å; F147-A149 PolarHBondContact O-N 2.86Å; A149-G153 WeakPolarHBondContact CA-O 3.32Å |
| 150 | T | 92.9 | Very high | 92 | Very high | 108 Ų | 108 | 71 Ų | 71 | 66% | 0.663 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -75.2 | -39.9 | -176.5 | -54 | 0 | 0 | 0 | 0 | 112.5 | K146 F147 A148 | K146-T150 PolarHBondContact O-N 3.15Å; K146-T150 VanDerWaalsContact O-N 3.14Å; K146-T150 PolarHBondContact O-OG1 2.95Å; F147-T150 PolarHBondContact O-N 3.27Å; F147-T150 VanDerWaalsContact O-N 3.17Å; A148-T150 PolarHBondContact O-N 3.12Å |
| 151 | F | 91.5 | Very high | 92.3 | Very high | 136 Ų | 136 | 74.9 Ų | 74.9 | 60% | 0.596 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -104.1 | -25.4 | -170.2 | -71.3 | -77.5 | 0 | 0 | 0 | 114.8 | F147 A148 | F147-F151 AromaticContact CD2-CD2 3.51Å; F147-F151 HydrophobicContact CD2-CD2 3.51Å; F147-F151 AromaticContact CD2-CE2 3.53Å; F147-F151 HydrophobicContact CD2-CE2 3.53Å; F147-F151 HydrophobicContact CE1-CD2 4.47Å; F147-F151 AromaticContact CE2-CD2 3.32Å; F147-F151 HydrophobicContact CE2-CD2 3.32Å; F147-F151 AromaticContact CE2-CE2 3.36Å; F147-F151 HydrophobicContact CE2-CE2 3.36Å; F147-F151 HydrophobicContact CE2-CG 4.27Å; F147-F151 HydrophobicContact CE2-CZ 4.31Å; F147-F151 HydrophobicContact CG-CD2 4.16Å; F147-F151 AromaticContact CZ-CD2 3.85Å; F147-F151 HydrophobicContact CZ-CD2 3.85Å; F147-F151 HydrophobicContact CZ-CE2 4.28Å; F147-F151 HydrophobicContact CZ-CG 4.44Å; F147-F151 WeakPolarHBondContact O-CD2 3.45Å; F147-F151 PolarHBondContact O-N 3.34Å; A148-F151 PolarHBondContact O-N 3.33Å |
| 152 | F | 89 | Confident | 92.6 | Very high | 79 Ų | 79 | 75.4 Ų | 75.4 | 35% | 0.346 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.5 | -6.8 | -173.7 | -55 | -66.4 | 0 | 0 | 0 | 113.4 | I104 E105 F108 F147 A148 | I104-F152 HydrophobicContact CG2-CD2 3.77Å; I104-F152 HydrophobicContact CG2-CE2 4Å; E105-F152 HydrophobicContact CB-CD1 4.38Å; E105-F152 HydrophobicContact CB-CE1 3.8Å; E105-F152 HydrophobicContact CB-CE2 4.33Å; E105-F152 HydrophobicContact CB-CZ 3.77Å; E105-F152 HydrophobicContact CG-CD1 4.21Å; E105-F152 HydrophobicContact CG-CE1 3.7Å; E105-F152 HydrophobicContact CG-CZ 4.18Å; F108-F152 HydrophobicContact CD2-CB 4.04Å; F108-F152 HydrophobicContact CE1-CB 4.22Å; F108-F152 HydrophobicContact CE2-CB 3.5Å; F108-F152 HydrophobicContact CE2-CD2 4.39Å; F108-F152 HydrophobicContact CE2-CG 4.21Å; F108-F152 HydrophobicContact CZ-CB 3.59Å; F147-F152 AromaticContact CE1-CE2 3.93Å; F147-F152 HydrophobicContact CE1-CE2 3.93Å; A148-F152 PolarHBondContact O-N 3.12Å |
| 153 | G | 89.7 | Confident | 92.9 | Very high | 32 Ų | 32 | 67.2 Ų | 67.2 | 33% | 0.33 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 92.1 | -174.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F108 A148 A149 P155 | F108-G153 WeakPolarHBondContact CZ-O 3.31Å; A148-G153 CarbonylContact C-O 3.42Å; A148-G153 PolarHBondContact O-N 2.97Å; A148-G153 VanDerWaalsContact O-O 3.14Å; A149-G153 WeakPolarHBondContact CA-O 3.32Å; G153-P155 WeakPolarHBondContact O-CD 3.15Å; G153-P155 VanDerWaalsContact O-N 3.08Å |
| 154 | E | 90.7 | Very high | 93.2 | Very high | 171 Ų | 171 | 62.3 Ų | 62.3 | 80% | 0.799 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -56 | 115.5 | -174.1 | -174.9 | 172.9 | -168.8 | 0 | 0 | 111.5 | F108 | F108-E154 WeakPolarHBondContact CE1-O 3.45Š|
| 155 | P | 88.1 | Confident | 93.6 | Very high | 15 Ų | 15 | 64.7 Ų | 64.7 | 10% | 0.097 | 34% | 0.336 | C | S | . | . | trans | -63.1 | 145.8 | -175.4 | 24.2 | -32.4 | 0 | 0 | 0 | 111.3 | F108 R145 A148 G153 T157 | F108-P155 HydrophobicContact CZ-CB 4.25Å; R145-P155 HydrophobicContact CB-CG 4.36Å; A148-P155 HydrophobicContact CB-CB 3.8Å; A148-P155 HydrophobicContact CB-CG 4.22Å; G153-P155 WeakPolarHBondContact O-CD 3.15Å; G153-P155 VanDerWaalsContact O-N 3.08Å; P155-T157 PolarHBondContact O-N 2.89Å | ||
| 156 | P | 91.2 | Very high | 94 | Very high | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.032 | 34% | 0.34 | C | S | . | . | trans | -56.3 | 142.3 | 172.7 | 23.8 | -32.4 | 0 | 0 | 0 | 111 | K111 W133 V137 | K111-P156 HydrophobicContact CD-CB 4.37Å; W133-P156 HydrophobicContact CH2-CB 3.85Å; W133-P156 HydrophobicContact CZ2-CB 3.49Å; W133-P156 VanDerWaalsContact CZ2-CB 3.49Å; W133-P156 HydrophobicContact CZ2-CG 3.98Å; V137-P156 HydrophobicContact CB-CG 4.49Å; V137-P156 HydrophobicContact CG1-CB 4.31Å; V137-P156 HydrophobicContact CG1-CG 3.89Å | ||
| 157 | T | 92.5 | Very high | 94.4 | Very high | 99 Ų | 99 | 60.6 Ų | 60.6 | 61% | 0.607 | 32% | 0.318 | S | S | * | . | trans | -118.8 | 149.9 | 176.2 | 57.2 | 0 | 0 | 0 | 0 | 109.5 | P155 | P155-T157 PolarHBondContact O-N 2.89Š| ||
| 158 | S | 96.5 | Very high | 94.8 | Very high | 17 Ų | 17 | 60.2 Ų | 60.2 | 12% | 0.119 | 32% | 0.318 | C | S | . | . | trans | -154.6 | -172.7 | 170.8 | -169 | 0 | 0 | 0 | 0 | 107.5 | C134 T138 E162 | C134-S158 VanDerWaalsContact CB-OG 3.26Å; C134-S158 WeakPolarHBondContact CB-OG 3.5Å; C134-S158 PolarHBondContact SG-OG 2.68Å; T138-S158 PolarHBondContact OG1-O 3.18Å; T138-S158 VanDerWaalsContact OG1-O 3.09Å; S158-E162 WeakPolarHBondContact CA-OE2 2.97Å; S158-E162 WeakPolarHBondContact CB-OE2 3.4Å; S158-E162 PolarHBondContact OG-OE2 3.33Å | ||
| 159 | T | 98.1 | Very high | 95.2 | Very high | 56 Ų | 56 | 62.9 Ų | 62.9 | 34% | 0.344 | 33% | 0.333 | S | S | . | . | trans | -127.5 | 165.8 | 172.8 | 80.6 | 0 | 0 | 0 | 0 | 112.2 | T138 E161 E162 A163 | T138-T159 WeakPolarHBondContact OG1-CA 3.09Å; T138-T159 PolarHBondContact OG1-N 2.92Å; T159-E161 WeakPolarHBondContact CB-OE2 3.26Å; T159-E161 PolarHBondContact O-N 3.36Å; T159-E161 PolarHBondContact OG1-N 2.95Å; T159-E161 PolarHBondContact OG1-OE2 2.73Å; T159-E162 PolarHBondContact N-OE2 3.39Å; T159-E162 PolarHBondContact O-N 2.89Å; T159-E162 PolarHBondContact OG1-N 3.45Å; T159-E162 VanDerWaalsContact OG1-N 3.08Å; T159-A163 PolarHBondContact O-N 3.5Å | ||
| 160 | Y | 98.7 | Very high | 95.5 | Very high | 49 Ų | 49 | 60.6 Ų | 60.6 | 19% | 0.192 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.7 | -30.1 | 172.3 | -63.4 | -56.8 | 0 | 0 | 0 | 111.5 | F135 T138 D139 A163 L164 T188 R191 | F135-Y160 AromaticContact CD2-CD1 3.97Å; F135-Y160 HydrophobicContact CD2-CD1 3.97Å; F135-Y160 HydrophobicContact CD2-CE1 4.1Å; F135-Y160 HydrophobicContact CE2-CD1 4.18Å; F135-Y160 HydrophobicContact CE2-CE1 4.01Å; T138-Y160 HydrophobicContact CG2-CD1 3.81Å; T138-Y160 HydrophobicContact CG2-CD2 3.99Å; T138-Y160 HydrophobicContact CG2-CE1 3.66Å; T138-Y160 HydrophobicContact CG2-CE2 3.85Å; T138-Y160 HydrophobicContact CG2-CG 3.98Å; D139-Y160 HydrophobicContact CB-CE1 4.44Å; D139-Y160 PolarHBondContact OD1-OH 2.76Å; Y160-A163 PolarHBondContact O-N 2.94Å; Y160-L164 VanDerWaalsContact O-CB 3.31Å; Y160-L164 WeakPolarHBondContact O-CB 3.42Å; Y160-L164 PolarHBondContact O-N 3.2Å; Y160-T188 WeakPolarHBondContact O-CG2 3.45Å; Y160-R191 HydrophobicContact CD1-CB 3.86Å; Y160-R191 HydrophobicContact CD1-CG 4.13Å; Y160-R191 HydrophobicContact CD2-CB 3.9Å; Y160-R191 HydrophobicContact CE1-CB 3.78Å; Y160-R191 HydrophobicContact CE1-CG 3.61Å; Y160-R191 HydrophobicContact CE2-CB 3.81Å; Y160-R191 HydrophobicContact CE2-CG 4.23Å; Y160-R191 HydrophobicContact CG-CB 3.92Å; Y160-R191 WeakPolarHBondContact OH-CD 3.46Å |
| 161 | E | 98.7 | Very high | 95.8 | Very high | 102 Ų | 102 | 56.1 Ų | 56.1 | 48% | 0.477 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 174.3 | -62.2 | 76.7 | -170.2 | 0 | 0 | 111.7 | T159 L164 N165 L192 | T159-E161 WeakPolarHBondContact CB-OE2 3.26Å; T159-E161 PolarHBondContact O-N 3.36Å; T159-E161 PolarHBondContact OG1-N 2.95Å; T159-E161 PolarHBondContact OG1-OE2 2.73Å; E161-L164 PolarHBondContact O-N 3.02Å; E161-N165 PolarHBondContact O-N 3.33Å; E161-N165 PolarHBondContact O-ND2 3.46Å; E161-L192 HydrophobicContact CG-CD2 4.34Å; E161-L192 WeakPolarHBondContact OE1-CD2 3.48Å |
| 162 | E | 98.3 | Very high | 96.1 | Very high | 85 Ų | 85 | 57.3 Ų | 57.3 | 40% | 0.397 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 173.9 | -71.7 | 178.6 | 137.5 | 0 | 0 | 111.2 | S158 T159 L164 N165 Y166 | S158-E162 WeakPolarHBondContact CA-OE2 2.97Å; S158-E162 WeakPolarHBondContact CB-OE2 3.4Å; S158-E162 PolarHBondContact OG-OE2 3.33Å; T159-E162 PolarHBondContact N-OE2 3.39Å; T159-E162 PolarHBondContact O-N 2.89Å; T159-E162 PolarHBondContact OG1-N 3.45Å; T159-E162 VanDerWaalsContact OG1-N 3.08Å; E162-L164 VanDerWaalsContact C-N 3.33Å; E162-L164 PolarHBondContact O-N 3.16Å; E162-N165 PolarHBondContact O-N 3.25Å; E162-Y166 WeakPolarHBondContact O-CD2 3.05Å; E162-Y166 PolarHBondContact O-N 3.15Å |
| 163 | A | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.9 | -49.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G131 C134 F135 T159 Y160 N165 Y166 L167 T188 | G131-A163 WeakPolarHBondContact O-CB 3.33Å; C134-A163 HydrophobicContact CB-CB 3.65Å; F135-A163 HydrophobicContact CB-CB 4.01Å; T159-A163 PolarHBondContact O-N 3.5Å; Y160-A163 PolarHBondContact O-N 2.94Å; A163-N165 VanDerWaalsContact C-N 3.34Å; A163-N165 PolarHBondContact O-N 3.06Å; A163-Y166 PolarHBondContact O-N 3.25Å; A163-L167 WeakPolarHBondContact O-CB 3.37Å; A163-L167 WeakPolarHBondContact O-CD1 3.42Å; A163-L167 WeakPolarHBondContact O-CG 3.32Å; A163-L167 PolarHBondContact O-N 3.07Å; A163-T188 HydrophobicContact CB-CG2 4.27Å |
| 164 | L | 98.8 | Very high | 96.9 | Very high | 19 Ų | 19 | 56.8 Ų | 56.8 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -41.8 | -178.6 | -172.5 | 63.5 | 0 | 0 | 0 | 112 | Y160 E161 E162 Y166 L167 L168 I185 T188 Y189 L192 | Y160-L164 VanDerWaalsContact O-CB 3.31Å; Y160-L164 WeakPolarHBondContact O-CB 3.42Å; Y160-L164 PolarHBondContact O-N 3.2Å; E161-L164 PolarHBondContact O-N 3.02Å; E162-L164 VanDerWaalsContact C-N 3.33Å; E162-L164 PolarHBondContact O-N 3.16Å; L164-Y166 PolarHBondContact O-N 3.29Å; L164-L167 PolarHBondContact O-N 2.75Å; L164-L168 HydrophobicContact CD1-CD1 3.99Å; L164-L168 HydrophobicContact CD1-CD2 4.44Å; L164-L168 HydrophobicContact CD1-CG 3.92Å; L164-L168 HydrophobicContact CD2-CD1 4.25Å; L164-L168 HydrophobicContact CG-CD1 3.72Å; L164-L168 HydrophobicContact CG-CG 4.08Å; L164-L168 WeakPolarHBondContact O-CB 3.26Å; L164-L168 VanDerWaalsContact O-CG 3.28Å; L164-L168 WeakPolarHBondContact O-CG 3.25Å; L164-L168 PolarHBondContact O-N 3.19Å; L164-I185 HydrophobicContact CD1-CG2 4.06Å; L164-T188 HydrophobicContact CB-CG2 3.78Å; L164-T188 HydrophobicContact CD1-CG2 4.33Å; L164-Y189 HydrophobicContact CD1-CD1 4.33Å; L164-Y189 HydrophobicContact CD1-CD2 4.26Å; L164-Y189 HydrophobicContact CD1-CE1 3.97Å; L164-Y189 HydrophobicContact CD1-CE2 3.89Å; L164-Y189 HydrophobicContact CD1-CG 4.46Å; L164-Y189 HydrophobicContact CD2-CD1 4.01Å; L164-Y189 HydrophobicContact CD2-CE1 3.43Å; L164-Y189 VanDerWaalsContact CD2-CE1 3.43Å; L164-Y189 HydrophobicContact CG-CE1 4.33Å; L164-L192 HydrophobicContact CB-CD1 4.49Å; L164-L192 HydrophobicContact CD2-CD1 3.8Å |
| 165 | N | 98.6 | Very high | 97.2 | Very high | 108 Ų | 108 | 53 Ų | 53 | 58% | 0.578 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -58.1 | -50.9 | 179 | -73.7 | -22.1 | 0 | 0 | 0 | 111.6 | E161 E162 A163 D169 | E161-N165 PolarHBondContact O-N 3.33Å; E161-N165 PolarHBondContact O-ND2 3.46Å; E162-N165 PolarHBondContact O-N 3.25Å; A163-N165 VanDerWaalsContact C-N 3.34Å; A163-N165 PolarHBondContact O-N 3.06Å; N165-D169 WeakPolarHBondContact O-CB 3.37Å; N165-D169 PolarHBondContact O-N 3Å |
| 166 | Y | 98.6 | Very high | 97.6 | Very high | 81 Ų | 81 | 54.2 Ų | 54.2 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 178.6 | -69.4 | -59.5 | 0 | 0 | 0 | 112.7 | L127 L130 E162 A163 L164 D169 S170 | L127-Y166 HydrophobicContact CD2-CD1 3.81Å; L130-Y166 HydrophobicContact CD2-CD1 3.89Å; L130-Y166 HydrophobicContact CD2-CD2 4.09Å; L130-Y166 HydrophobicContact CD2-CE1 3.56Å; L130-Y166 HydrophobicContact CD2-CE2 3.78Å; L130-Y166 HydrophobicContact CD2-CG 4.15Å; L130-Y166 VanDerWaalsContact CD2-CZ 3.5Å; L130-Y166 HydrophobicContact CG-CD1 4.34Å; L130-Y166 HydrophobicContact CG-CD2 3.84Å; L130-Y166 HydrophobicContact CG-CE1 4.36Å; L130-Y166 HydrophobicContact CG-CE2 3.86Å; L130-Y166 HydrophobicContact CG-CG 4.1Å; E162-Y166 WeakPolarHBondContact O-CD2 3.05Å; E162-Y166 PolarHBondContact O-N 3.15Å; A163-Y166 PolarHBondContact O-N 3.25Å; L164-Y166 PolarHBondContact O-N 3.29Å; Y166-D169 PolarHBondContact O-N 3.09Å; Y166-S170 PolarHBondContact O-N 2.95Å |
| 167 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67 | -40.7 | -180 | -66.3 | 165.1 | 0 | 0 | 0 | 112.2 | A163 L164 S170 E171 N181 I185 | A163-L167 WeakPolarHBondContact O-CB 3.37Å; A163-L167 WeakPolarHBondContact O-CD1 3.42Å; A163-L167 WeakPolarHBondContact O-CG 3.32Å; A163-L167 PolarHBondContact O-N 3.07Å; L164-L167 PolarHBondContact O-N 2.75Å; L167-S170 WeakPolarHBondContact O-CB 3.46Å; L167-S170 PolarHBondContact O-N 3.12Å; L167-E171 PolarHBondContact O-N 3.38Å; L167-N181 WeakPolarHBondContact CD2-OD1 3.31Å; L167-N181 PolarHBondContact O-ND2 2.59Å; L167-N181 PolarHBondContact O-OD1 2.78Å; L167-I185 HydrophobicContact CB-CD1 4.27Å; L167-I185 HydrophobicContact CB-CG1 3.55Å; L167-I185 HydrophobicContact CD1-CG1 4.39Å; L167-I185 HydrophobicContact CG-CG1 4.48Å |
| 168 | L | 98.8 | Very high | 98.1 | Very high | 53 Ų | 53 | 54.3 Ų | 54.3 | 28% | 0.277 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.1 | -35.4 | 175.6 | -71.9 | 177.1 | 0 | 0 | 0 | 111.9 | L164 E171 K172 I185 | L164-L168 HydrophobicContact CD1-CD1 3.99Å; L164-L168 HydrophobicContact CD1-CD2 4.44Å; L164-L168 HydrophobicContact CD1-CG 3.92Å; L164-L168 HydrophobicContact CD2-CD1 4.25Å; L164-L168 HydrophobicContact CG-CD1 3.72Å; L164-L168 HydrophobicContact CG-CG 4.08Å; L164-L168 WeakPolarHBondContact O-CB 3.26Å; L164-L168 VanDerWaalsContact O-CG 3.28Å; L164-L168 WeakPolarHBondContact O-CG 3.25Å; L164-L168 PolarHBondContact O-N 3.19Å; L168-E171 PolarHBondContact O-N 3.41Å; L168-K172 WeakPolarHBondContact O-CB 3.48Å; L168-K172 PolarHBondContact O-N 3.03Å; L168-I185 HydrophobicContact CD2-CD1 4.2Å; L168-I185 HydrophobicContact CD2-CG2 4.24Å |
| 169 | D | 98.6 | Very high | 98.2 | Very high | 56 Ų | 56 | 53.9 Ų | 53.9 | 30% | 0.299 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 174.3 | -159.4 | 17.1 | 0 | 0 | 0 | 110.8 | L127 N165 Y166 E171 K172 K173 | L127-D169 HydrophobicContact CD1-CB 4.11Å; L127-D169 HydrophobicContact CD2-CB 4.43Å; N165-D169 WeakPolarHBondContact O-CB 3.37Å; N165-D169 PolarHBondContact O-N 3Å; Y166-D169 PolarHBondContact O-N 3.09Å; D169-E171 VanDerWaalsContact C-N 3.3Å; D169-E171 PolarHBondContact O-N 3.07Å; D169-K172 WeakPolarHBondContact O-CB 3.34Å; D169-K172 PolarHBondContact O-N 3.2Å; D169-K172 VanDerWaalsContact O-N 3.12Å; D169-K173 WeakPolarHBondContact O-CG 3.34Å; D169-K173 PolarHBondContact O-N 3.02Å |
| 170 | S | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.014 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.4 | -46.8 | 170.1 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | F124 Y166 L167 K172 K173 A174 | F124-S170 PolarHBondContact O-OG 3.34Å; Y166-S170 PolarHBondContact O-N 2.95Å; L167-S170 WeakPolarHBondContact O-CB 3.46Å; L167-S170 PolarHBondContact O-N 3.12Å; S170-K172 VanDerWaalsContact C-N 3.31Å; S170-K172 PolarHBondContact O-N 3.35Å; S170-K173 PolarHBondContact O-N 3.49Å; S170-A174 PolarHBondContact O-N 3.32Å |
| 171 | E | 98.5 | Very high | 98.2 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 178.9 | -175.3 | 65.5 | -163.7 | 0 | 0 | 111.4 | L167 L168 D169 A174 P175 G176 N181 I185 Y201 K204 | L167-E171 PolarHBondContact O-N 3.38Å; L168-E171 PolarHBondContact O-N 3.41Å; D169-E171 VanDerWaalsContact C-N 3.3Å; D169-E171 PolarHBondContact O-N 3.07Å; E171-A174 CarbonylContact O-C 3.47Å; E171-P175 WeakPolarHBondContact O-CA 3.26Å; E171-P175 WeakPolarHBondContact O-CD 3.49Å; E171-P175 VanDerWaalsContact O-CG 3.26Å; E171-P175 WeakPolarHBondContact O-CG 3.1Å; E171-G176 PolarHBondContact OE1-N 2.86Å; E171-G176 VanDerWaalsContact OE1-N 3.14Å; E171-N181 PolarHBondContact OE2-ND2 2.97Å; E171-I185 HydrophobicContact CB-CD1 3.96Å; E171-I185 HydrophobicContact CG-CD1 4.32Å; E171-Y201 HydrophobicContact CG-CE1 4.45Å; E171-K204 IonicContact OE1-NZ 3.08Å |
| 172 | K | 98.4 | Very high | 98.2 | Very high | 161 Ų | 161 | 44.5 Ų | 44.5 | 70% | 0.7 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -66.4 | -39.1 | 177.2 | -177.9 | -175.6 | 175.6 | -174.1 | 0 | 112.1 | L168 D169 S170 | L168-K172 WeakPolarHBondContact O-CB 3.48Å; L168-K172 PolarHBondContact O-N 3.03Å; D169-K172 WeakPolarHBondContact O-CB 3.34Å; D169-K172 PolarHBondContact O-N 3.2Å; D169-K172 VanDerWaalsContact O-N 3.12Å; S170-K172 VanDerWaalsContact C-N 3.31Å; S170-K172 PolarHBondContact O-N 3.35Å |
| 173 | K | 98.2 | Very high | 98.2 | Very high | 88 Ų | 88 | 40.5 Ų | 40.5 | 38% | 0.383 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -73.9 | -37 | -179.5 | -64.8 | -61.2 | -176.4 | 172.6 | 0 | 112.7 | D122 F124 L127 D169 S170 | D122-K173 HydrophobicContact CB-CD 4.46Å; D122-K173 WeakPolarHBondContact OD1-CE 3.47Å; D122-K173 IonicContact OD1-NZ 2.63Å; D122-K173 PolarHBondContact OD1-NZ 2.91Å; D122-K173 IonicContact OD2-NZ 3.42Å; D122-K173 PolarHBondContact OD2-NZ 3.39Å; F124-K173 HydrophobicContact CB-CB 3.82Å; L127-K173 HydrophobicContact CD1-CG 4.18Å; D169-K173 WeakPolarHBondContact O-CG 3.34Å; D169-K173 PolarHBondContact O-N 3.02Å; S170-K173 PolarHBondContact O-N 3.49Å |
| 174 | A | 97.3 | Very high | 98.2 | Very high | 12 Ų | 12 | 41 Ų | 41 | 10% | 0.099 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -141.4 | 76.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F124 S170 E171 G176 T177 | F124-A174 HydrophobicContact CB-CB 3.97Å; F124-A174 HydrophobicContact CD1-CB 3.86Å; F124-A174 HydrophobicContact CD2-CB 3.46Å; F124-A174 VanDerWaalsContact CD2-CB 3.46Å; F124-A174 HydrophobicContact CE1-CB 4.18Å; F124-A174 HydrophobicContact CE2-CB 3.81Å; F124-A174 HydrophobicContact CG-CB 3.48Å; F124-A174 VanDerWaalsContact CG-CB 3.48Å; F124-A174 HydrophobicContact CZ-CB 4.15Å; S170-A174 PolarHBondContact O-N 3.32Å; E171-A174 CarbonylContact O-C 3.47Å; A174-G176 PolarHBondContact O-N 2.89Å; A174-T177 HydrophobicContact CB-CG2 4.33Å; A174-T177 WeakPolarHBondContact O-CB 3.02Å; A174-T177 PolarHBondContact O-N 3.3Å; A174-T177 PolarHBondContact O-OG1 3.34Å |
| 175 | P | 97.6 | Very high | 98.2 | Very high | 91 Ų | 91 | 40.1 Ų | 40.1 | 59% | 0.591 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 136.2 | -176.3 | -22.4 | 31.5 | 0 | 0 | 0 | 112 | E171 T177 | E171-P175 WeakPolarHBondContact O-CA 3.26Å; E171-P175 WeakPolarHBondContact O-CD 3.49Å; E171-P175 VanDerWaalsContact O-CG 3.26Å; E171-P175 WeakPolarHBondContact O-CG 3.1Å; P175-T177 PolarHBondContact O-N 3.13Å; P175-T177 VanDerWaalsContact O-N 3.08Å; P175-T177 PolarHBondContact O-OG1 3.49Å |
| 176 | G | 95.7 | Very high | 98.3 | Very high | 42 Ų | 42 | 35 Ų | 35 | 43% | 0.433 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 22.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E171 A174 F208 | E171-G176 PolarHBondContact OE1-N 2.86Å; E171-G176 VanDerWaalsContact OE1-N 3.14Å; A174-G176 PolarHBondContact O-N 2.89Å; G176-F208 WeakPolarHBondContact O-CE1 3.46Å; G176-F208 WeakPolarHBondContact O-CZ 3.35Å |
| 177 | T | 96.5 | Very high | 98.3 | Very high | 82 Ų | 82 | 33 Ų | 33 | 50% | 0.503 | 18% | 0.181 | S | C | . | . | trans | -96 | -38.6 | -175.5 | -59.1 | 0 | 0 | 0 | 0 | 113 | F124 A174 P175 | F124-T177 HydrophobicContact CE2-CG2 3.83Å; F124-T177 HydrophobicContact CZ-CG2 4.21Å; A174-T177 HydrophobicContact CB-CG2 4.33Å; A174-T177 WeakPolarHBondContact O-CB 3.02Å; A174-T177 PolarHBondContact O-N 3.3Å; A174-T177 PolarHBondContact O-OG1 3.34Å; P175-T177 PolarHBondContact O-N 3.13Å; P175-T177 VanDerWaalsContact O-N 3.08Å; P175-T177 PolarHBondContact O-OG1 3.49Å | ||
| 178 | I | 97.9 | Very high | 98.3 | Very high | 23 Ų | 23 | 33 Ų | 33 | 12% | 0.118 | 18% | 0.181 | C | C | . | . | trans | -113.9 | 106.4 | -179.1 | -56.6 | 169.4 | 0 | 0 | 0 | 109.4 | F124 V125 H128 K180 N181 S182 | F124-I178 HydrophobicContact CD2-CD1 3.56Å; F124-I178 HydrophobicContact CD2-CG1 4.21Å; F124-I178 HydrophobicContact CE2-CD1 3.69Å; F124-I178 HydrophobicContact CE2-CG1 3.99Å; V125-I178 HydrophobicContact CG2-CD1 4.43Å; H128-I178 HydrophobicContact CB-CD1 3.85Å; I178-K180 VanDerWaalsContact C-N 3.29Å; I178-K180 HydrophobicContact CG2-CB 4.41Å; I178-K180 PolarHBondContact O-N 3.23Å; I178-N181 HydrophobicContact CB-CB 3.87Å; I178-N181 HydrophobicContact CG2-CB 4.09Å; I178-N181 WeakPolarHBondContact O-CA 3.27Å; I178-N181 WeakPolarHBondContact O-CB 3.33Å; I178-N181 PolarHBondContact O-N 2.64Å; I178-S182 PolarHBondContact O-N 2.95Å | ||
| 179 | V | 98.5 | Very high | 98.3 | Very high | 8 Ų | 8 | 31.7 Ų | 31.7 | 5% | 0.048 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.7 | -41.4 | -178.7 | 66.6 | 0 | 0 | 0 | 0 | 112.8 | N181 S182 L183 V205 F208 D214 T215 A218 | V179-N181 PolarHBondContact O-N 3.02Å; V179-S182 PolarHBondContact O-N 2.9Å; V179-L183 PolarHBondContact O-N 3.28Å; V179-V205 HydrophobicContact CG2-CG1 3.96Å; V179-F208 HydrophobicContact CB-CD1 3.71Å; V179-F208 HydrophobicContact CB-CD2 4.15Å; V179-F208 HydrophobicContact CB-CE1 3.85Å; V179-F208 HydrophobicContact CB-CE2 4.28Å; V179-F208 HydrophobicContact CB-CG 3.87Å; V179-F208 HydrophobicContact CB-CZ 4.13Å; V179-F208 HydrophobicContact CG2-CB 4.06Å; V179-F208 HydrophobicContact CG2-CD1 4.08Å; V179-F208 HydrophobicContact CG2-CD2 3.75Å; V179-F208 HydrophobicContact CG2-CE1 4.49Å; V179-F208 HydrophobicContact CG2-CE2 4.19Å; V179-F208 HydrophobicContact CG2-CG 3.68Å; V179-D214 HydrophobicContact CG1-CB 4.12Å; V179-T215 HydrophobicContact CG2-CG2 4.43Å; V179-A218 HydrophobicContact CG1-CB 4.24Å; V179-A218 HydrophobicContact CG2-CB 3.68Å |
| 180 | K | 98.2 | Very high | 98.3 | Very high | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.1 | -26.3 | 175.6 | -78.1 | -174.9 | 169.7 | 168.5 | 0 | 111.3 | H128 I178 L183 Y184 D214 E217 | H128-K180 VanDerWaalsContact CE1-C 3.47Å; I178-K180 VanDerWaalsContact C-N 3.29Å; I178-K180 HydrophobicContact CG2-CB 4.41Å; I178-K180 PolarHBondContact O-N 3.23Å; K180-L183 PolarHBondContact O-N 3.4Å; K180-Y184 WeakPolarHBondContact O-CB 3.35Å; K180-Y184 VanDerWaalsContact O-CD2 3.24Å; K180-Y184 WeakPolarHBondContact O-CD2 3.41Å; K180-Y184 PolarHBondContact O-N 2.9Å; K180-D214 HydrophobicContact CD-CB 4.23Å; K180-D214 WeakPolarHBondContact CE-OD1 3.37Å; K180-D214 HydrophobicContact CG-CB 4.41Å; K180-D214 IonicContact NZ-OD1 3.75Å; K180-D214 PolarHBondContact NZ-OD1 3.12Å; K180-E217 IonicContact NZ-OE2 3.15Å; K180-E217 PolarHBondContact NZ-OE2 3.45Å |
| 181 | N | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65 | -51.9 | 174.3 | -168.3 | 63.5 | 0 | 0 | 0 | 110.7 | H128 L167 E171 I178 V179 L183 Y184 I185 | H128-N181 HydrophobicContact CB-CB 4.48Å; H128-N181 PolarHBondContact CE1-N 3.07Å; H128-N181 VanDerWaalsContact CE1-N 3.34Å; H128-N181 VanDerWaalsContact ND1-CA 3.33Å; H128-N181 WeakPolarHBondContact ND1-CA 3.36Å; H128-N181 WeakPolarHBondContact ND1-CB 3.13Å; H128-N181 PolarHBondContact ND1-OD1 3.14Å; L167-N181 WeakPolarHBondContact CD2-OD1 3.31Å; L167-N181 PolarHBondContact O-ND2 2.59Å; L167-N181 PolarHBondContact O-OD1 2.78Å; E171-N181 PolarHBondContact OE2-ND2 2.97Å; I178-N181 HydrophobicContact CB-CB 3.87Å; I178-N181 HydrophobicContact CG2-CB 4.09Å; I178-N181 WeakPolarHBondContact O-CA 3.27Å; I178-N181 WeakPolarHBondContact O-CB 3.33Å; I178-N181 PolarHBondContact O-N 2.64Å; V179-N181 PolarHBondContact O-N 3.02Å; N181-L183 VanDerWaalsContact C-N 3.27Å; N181-L183 PolarHBondContact O-N 2.88Å; N181-Y184 PolarHBondContact O-N 3.35Å; N181-Y184 VanDerWaalsContact O-N 3.14Å; N181-I185 WeakPolarHBondContact O-CG1 3.45Å; N181-I185 PolarHBondContact O-N 3.21Å |
| 182 | S | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.1 | -39.1 | 176.6 | -52 | 0 | 0 | 0 | 0 | 112 | I178 V179 I185 A186 | I178-S182 PolarHBondContact O-N 2.95Å; V179-S182 PolarHBondContact O-N 2.9Å; S182-I185 PolarHBondContact O-N 2.78Å; S182-A186 PolarHBondContact O-N 3.38Å |
| 183 | L | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.3 | -48.7 | 174.2 | 176.6 | 70 | 0 | 0 | 0 | 112 | V179 K180 N181 I185 A186 K187 V205 A218 E221 A222 | V179-L183 PolarHBondContact O-N 3.28Å; K180-L183 PolarHBondContact O-N 3.4Å; N181-L183 VanDerWaalsContact C-N 3.27Å; N181-L183 PolarHBondContact O-N 2.88Å; L183-I185 VanDerWaalsContact C-N 3.3Å; L183-I185 PolarHBondContact O-N 3.48Å; L183-A186 WeakPolarHBondContact O-CB 3.21Å; L183-A186 PolarHBondContact O-N 3.2Å; L183-K187 HydrophobicContact CD1-CD 4.15Å; L183-K187 HydrophobicContact CD1-CG 4.45Å; L183-K187 HydrophobicContact CD2-CD 4.33Å; L183-K187 HydrophobicContact CG-CD 3.84Å; L183-K187 HydrophobicContact CG-CG 4.49Å; L183-K187 WeakPolarHBondContact O-CG 3.32Å; L183-K187 PolarHBondContact O-N 3.41Å; L183-V205 HydrophobicContact CB-CG2 3.98Å; L183-V205 VanDerWaalsContact N-CG2 3.29Å; L183-A218 HydrophobicContact CB-CB 4.27Å; L183-A218 HydrophobicContact CD2-CB 3.96Å; L183-E221 HydrophobicContact CD1-CB 3.8Å; L183-E221 HydrophobicContact CD2-CB 4.12Å; L183-A222 HydrophobicContact CD1-CB 4.16Å |
| 184 | Y | 98.8 | Very high | 98.2 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.3 | -32.3 | 179.9 | -89 | -84.7 | 0 | 0 | 0 | 111.7 | R132 F135 E136 K180 N181 K187 T188 | R132-Y184 HydrophobicContact CB-CD1 4.44Å; R132-Y184 HydrophobicContact CB-CD2 4.44Å; R132-Y184 HydrophobicContact CB-CE1 4.47Å; R132-Y184 HydrophobicContact CB-CE2 4.49Å; R132-Y184 HydrophobicContact CB-CG 4.44Å; R132-Y184 HydrophobicContact CG-CD1 4.28Å; R132-Y184 HydrophobicContact CG-CD2 4.26Å; R132-Y184 HydrophobicContact CG-CE1 3.84Å; R132-Y184 HydrophobicContact CG-CE2 3.83Å; R132-Y184 HydrophobicContact CG-CG 4.49Å; R132-Y184 PolarHBondContact NE-OH 2.92Å; R132-Y184 VanDerWaalsContact NE-OH 3.12Å; F135-Y184 HydrophobicContact CB-CD1 3.97Å; F135-Y184 HydrophobicContact CB-CE1 4.27Å; F135-Y184 AromaticContact CD1-CD1 3.8Å; F135-Y184 HydrophobicContact CD1-CD1 3.8Å; F135-Y184 AromaticContact CD1-CE1 3.53Å; F135-Y184 HydrophobicContact CD1-CE1 3.53Å; F135-Y184 HydrophobicContact CD2-CD1 4.49Å; F135-Y184 HydrophobicContact CE1-CD1 4.45Å; F135-Y184 HydrophobicContact CE1-CE1 4.14Å; F135-Y184 AromaticContact CG-CD1 3.82Å; F135-Y184 HydrophobicContact CG-CD1 3.82Å; F135-Y184 HydrophobicContact CG-CE1 4.03Å; E136-Y184 HydrophobicContact CG-CE1 4.23Å; E136-Y184 PolarHBondContact OE1-OH 2.79Å; K180-Y184 WeakPolarHBondContact O-CB 3.35Å; K180-Y184 VanDerWaalsContact O-CD2 3.24Å; K180-Y184 WeakPolarHBondContact O-CD2 3.41Å; K180-Y184 PolarHBondContact O-N 2.9Å; N181-Y184 PolarHBondContact O-N 3.35Å; N181-Y184 VanDerWaalsContact O-N 3.14Å; Y184-K187 PolarHBondContact O-N 3.22Å; Y184-T188 VanDerWaalsContact O-CB 3.28Å; Y184-T188 WeakPolarHBondContact O-CB 3.47Å; Y184-T188 PolarHBondContact O-N 2.84Å; Y184-T188 PolarHBondContact O-OG1 3.4Å |
| 185 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.6 | -48.4 | 169.9 | -65.8 | 167.2 | 0 | 0 | 0 | 110.1 | L164 L167 L168 E171 N181 S182 L183 K187 T188 Y189 Y201 | L164-I185 HydrophobicContact CD1-CG2 4.06Å; L167-I185 HydrophobicContact CB-CD1 4.27Å; L167-I185 HydrophobicContact CB-CG1 3.55Å; L167-I185 HydrophobicContact CD1-CG1 4.39Å; L167-I185 HydrophobicContact CG-CG1 4.48Å; L168-I185 HydrophobicContact CD2-CD1 4.2Å; L168-I185 HydrophobicContact CD2-CG2 4.24Å; E171-I185 HydrophobicContact CB-CD1 3.96Å; E171-I185 HydrophobicContact CG-CD1 4.32Å; N181-I185 WeakPolarHBondContact O-CG1 3.45Å; N181-I185 PolarHBondContact O-N 3.21Å; S182-I185 PolarHBondContact O-N 2.78Å; L183-I185 VanDerWaalsContact C-N 3.3Å; L183-I185 PolarHBondContact O-N 3.48Å; I185-K187 PolarHBondContact O-N 3.49Å; I185-T188 PolarHBondContact O-N 3.29Å; I185-Y189 HydrophobicContact CG2-CD2 3.5Å; I185-Y189 VanDerWaalsContact CG2-CD2 3.5Å; I185-Y189 HydrophobicContact CG2-CE2 3.31Å; I185-Y189 WeakPolarHBondContact O-CD2 3.31Å; I185-Y189 PolarHBondContact O-N 2.92Å; I185-Y201 HydrophobicContact CB-CD1 3.8Å; I185-Y201 HydrophobicContact CB-CD2 4.49Å; I185-Y201 HydrophobicContact CB-CE1 4.04Å; I185-Y201 HydrophobicContact CB-CG 4.04Å; I185-Y201 HydrophobicContact CD1-CD1 4.03Å; I185-Y201 HydrophobicContact CD1-CE1 3.49Å; I185-Y201 VanDerWaalsContact CD1-CE1 3.49Å; I185-Y201 HydrophobicContact CG1-CE1 4.35Å; I185-Y201 HydrophobicContact CG2-CD1 3.62Å; I185-Y201 HydrophobicContact CG2-CD2 3.49Å; I185-Y201 VanDerWaalsContact CG2-CD2 3.49Å; I185-Y201 HydrophobicContact CG2-CE1 3.69Å; I185-Y201 HydrophobicContact CG2-CE2 3.55Å; I185-Y201 HydrophobicContact CG2-CG 3.52Å |
| 186 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.6 | -47.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S182 L183 T188 Y189 H190 A198 L225 | S182-A186 PolarHBondContact O-N 3.38Å; L183-A186 WeakPolarHBondContact O-CB 3.21Å; L183-A186 PolarHBondContact O-N 3.2Å; A186-T188 VanDerWaalsContact C-N 3.29Å; A186-T188 PolarHBondContact O-N 3.36Å; A186-Y189 PolarHBondContact O-N 2.95Å; A186-H190 WeakPolarHBondContact O-CB 3.36Å; A186-H190 PolarHBondContact O-N 2.85Å; A186-A198 WeakPolarHBondContact O-CB 3.37Å; A186-L225 HydrophobicContact CB-CD2 4.21Å |
| 187 | K | 98.8 | Very high | 98.4 | Very high | 39 Ų | 39 | 44.9 Ų | 44.9 | 17% | 0.17 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60 | -40.8 | 177.4 | -70.5 | 168.2 | 72.8 | 163.2 | 0 | 111.5 | F135 L183 Y184 I185 H190 R191 E221 L225 | F135-K187 HydrophobicContact CE2-CB 3.8Å; F135-K187 HydrophobicContact CZ-CB 3.81Å; L183-K187 HydrophobicContact CD1-CD 4.15Å; L183-K187 HydrophobicContact CD1-CG 4.45Å; L183-K187 HydrophobicContact CD2-CD 4.33Å; L183-K187 HydrophobicContact CG-CD 3.84Å; L183-K187 HydrophobicContact CG-CG 4.49Å; L183-K187 WeakPolarHBondContact O-CG 3.32Å; L183-K187 PolarHBondContact O-N 3.41Å; Y184-K187 PolarHBondContact O-N 3.22Å; I185-K187 PolarHBondContact O-N 3.49Å; K187-H190 PolarHBondContact O-N 2.85Å; K187-R191 WeakPolarHBondContact O-CG 3.48Å; K187-R191 PolarHBondContact O-N 2.97Å; K187-E221 IonicContact NZ-OE2 2.73Å; K187-E221 PolarHBondContact NZ-OE2 3.15Å; K187-L225 HydrophobicContact CG-CD2 4.1Å |
| 188 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.7 | -45.6 | 180 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | F135 Y160 A163 L164 Y184 I185 A186 H190 R191 L192 | F135-T188 VanDerWaalsContact CD2-OG1 3.28Å; F135-T188 WeakPolarHBondContact CD2-OG1 3.39Å; Y160-T188 WeakPolarHBondContact O-CG2 3.45Å; A163-T188 HydrophobicContact CB-CG2 4.27Å; L164-T188 HydrophobicContact CB-CG2 3.78Å; L164-T188 HydrophobicContact CD1-CG2 4.33Å; Y184-T188 VanDerWaalsContact O-CB 3.28Å; Y184-T188 WeakPolarHBondContact O-CB 3.47Å; Y184-T188 PolarHBondContact O-N 2.84Å; Y184-T188 PolarHBondContact O-OG1 3.4Å; I185-T188 PolarHBondContact O-N 3.29Å; A186-T188 VanDerWaalsContact C-N 3.29Å; A186-T188 PolarHBondContact O-N 3.36Å; T188-H190 VanDerWaalsContact C-N 3.32Å; T188-H190 PolarHBondContact O-N 3.24Å; T188-R191 WeakPolarHBondContact O-CB 3.42Å; T188-R191 PolarHBondContact O-N 2.75Å; T188-R191 VanDerWaalsContact O-N 3.15Å; T188-L192 HydrophobicContact CG2-CD1 4.13Å; T188-L192 WeakPolarHBondContact O-CG 3.43Å; T188-L192 PolarHBondContact O-N 3.3Å |
| 189 | Y | 98.8 | Very high | 98.6 | Very high | 26 Ų | 26 | 44.8 Ų | 44.8 | 10% | 0.102 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.5 | -39.5 | 173.5 | -80.7 | -52.5 | 0 | 0 | 0 | 112.9 | L164 I185 A186 R191 L192 K193 N194 L197 Y201 | L164-Y189 HydrophobicContact CD1-CD1 4.33Å; L164-Y189 HydrophobicContact CD1-CD2 4.26Å; L164-Y189 HydrophobicContact CD1-CE1 3.97Å; L164-Y189 HydrophobicContact CD1-CE2 3.89Å; L164-Y189 HydrophobicContact CD1-CG 4.46Å; L164-Y189 HydrophobicContact CD2-CD1 4.01Å; L164-Y189 HydrophobicContact CD2-CE1 3.43Å; L164-Y189 VanDerWaalsContact CD2-CE1 3.43Å; L164-Y189 HydrophobicContact CG-CE1 4.33Å; I185-Y189 HydrophobicContact CG2-CD2 3.5Å; I185-Y189 VanDerWaalsContact CG2-CD2 3.5Å; I185-Y189 HydrophobicContact CG2-CE2 3.31Å; I185-Y189 WeakPolarHBondContact O-CD2 3.31Å; I185-Y189 PolarHBondContact O-N 2.92Å; A186-Y189 PolarHBondContact O-N 2.95Å; Y189-R191 PolarHBondContact O-N 3.4Å; Y189-L192 CarbonylContact O-C 3.47Å; Y189-L192 PolarHBondContact O-N 3.07Å; Y189-K193 PolarHBondContact O-N 2.9Å; Y189-N194 HydrophobicContact CD1-CB 3.94Å; Y189-N194 PolarHBondContact O-N 3.47Å; Y189-L197 HydrophobicContact CD1-CB 3.94Å; Y189-L197 HydrophobicContact CD1-CD1 4.03Å; Y189-L197 HydrophobicContact CD2-CB 3.62Å; Y189-L197 HydrophobicContact CE1-CB 4.11Å; Y189-L197 HydrophobicContact CE1-CD1 3.46Å; Y189-L197 VanDerWaalsContact CE1-CD1 3.46Å; Y189-L197 HydrophobicContact CE1-CG 4.43Å; Y189-L197 HydrophobicContact CE2-CB 3.79Å; Y189-L197 HydrophobicContact CE2-CD1 4.11Å; Y189-L197 HydrophobicContact CG-CB 3.7Å; Y189-Y201 HydrophobicContact CD2-CD2 4.02Å; Y189-Y201 HydrophobicContact CD2-CE2 4.38Å; Y189-Y201 AromaticContact CE2-CD2 3.81Å; Y189-Y201 HydrophobicContact CE2-CD2 3.81Å; Y189-Y201 AromaticContact CE2-CE2 3.7Å; Y189-Y201 HydrophobicContact CE2-CE2 3.7Å |
| 190 | H | 98.6 | Very high | 98.6 | Very high | 44 Ų | 44 | 48.7 Ų | 48.7 | 20% | 0.204 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61 | -43.6 | 174 | 169.9 | -88.7 | 0 | 0 | 0 | 111.5 | A186 K187 T188 L192 K193 Y195 A198 L225 | A186-H190 WeakPolarHBondContact O-CB 3.36Å; A186-H190 PolarHBondContact O-N 2.85Å; K187-H190 PolarHBondContact O-N 2.85Å; T188-H190 VanDerWaalsContact C-N 3.32Å; T188-H190 PolarHBondContact O-N 3.24Å; H190-L192 VanDerWaalsContact C-N 3.28Å; H190-L192 PolarHBondContact O-N 2.64Å; H190-K193 PolarHBondContact O-N 3.45Å; H190-Y195 AromaticContact CD2-CE1 3.98Å; H190-A198 HydrophobicContact CB-CB 3.99Å; H190-L225 HydrophobicContact CB-CD1 4.18Å; H190-L225 HydrophobicContact CB-CD2 4.45Å |
| 191 | R | 98.2 | Very high | 98.6 | Very high | 112 Ų | 112 | 49.4 Ų | 49.4 | 42% | 0.423 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63 | -34.5 | 174.6 | -72.1 | -64.2 | -167.2 | -155.8 | 2.9 | 112.9 | F135 D139 Y160 K187 T188 Y189 K193 | F135-R191 HydrophobicContact CE2-CG 3.85Å; F135-R191 HydrophobicContact CZ-CG 4.21Å; D139-R191 VanDerWaalsContact CG-NH2 3.26Å; D139-R191 IonicContact OD1-CZ 2.68Å; D139-R191 IonicContact OD1-NE 3.32Å; D139-R191 PolarHBondContact OD1-NE 3.13Å; D139-R191 IonicContact OD1-NH2 3.25Å; D139-R191 PolarHBondContact OD1-NH2 2.97Å; D139-R191 IonicContact OD2-CZ 3.75Å; D139-R191 IonicContact OD2-NE 2.87Å; D139-R191 IonicContact OD2-NH2 2.88Å; D139-R191 PolarHBondContact OD2-NH2 2.96Å; Y160-R191 HydrophobicContact CD1-CB 3.86Å; Y160-R191 HydrophobicContact CD1-CG 4.13Å; Y160-R191 HydrophobicContact CD2-CB 3.9Å; Y160-R191 HydrophobicContact CE1-CB 3.78Å; Y160-R191 HydrophobicContact CE1-CG 3.61Å; Y160-R191 HydrophobicContact CE2-CB 3.81Å; Y160-R191 HydrophobicContact CE2-CG 4.23Å; Y160-R191 HydrophobicContact CG-CB 3.92Å; Y160-R191 WeakPolarHBondContact OH-CD 3.46Å; K187-R191 WeakPolarHBondContact O-CG 3.48Å; K187-R191 PolarHBondContact O-N 2.97Å; T188-R191 WeakPolarHBondContact O-CB 3.42Å; T188-R191 PolarHBondContact O-N 2.75Å; T188-R191 VanDerWaalsContact O-N 3.15Å; Y189-R191 PolarHBondContact O-N 3.4Å; R191-K193 PolarHBondContact O-N 2.73Å |
| 192 | L | 98.3 | Very high | 98.6 | Very high | 55 Ų | 55 | 49.3 Ų | 49.3 | 29% | 0.288 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 5.3 | 173.3 | -65.7 | 170.8 | 0 | 0 | 0 | 113.6 | E161 L164 T188 Y189 H190 N194 | E161-L192 HydrophobicContact CG-CD2 4.34Å; E161-L192 WeakPolarHBondContact OE1-CD2 3.48Å; L164-L192 HydrophobicContact CB-CD1 4.49Å; L164-L192 HydrophobicContact CD2-CD1 3.8Å; T188-L192 HydrophobicContact CG2-CD1 4.13Å; T188-L192 WeakPolarHBondContact O-CG 3.43Å; T188-L192 PolarHBondContact O-N 3.3Å; Y189-L192 CarbonylContact O-C 3.47Å; Y189-L192 PolarHBondContact O-N 3.07Å; H190-L192 VanDerWaalsContact C-N 3.28Å; H190-L192 PolarHBondContact O-N 2.64Å; L192-N194 PolarHBondContact O-N 3.32Å |
| 193 | K | 98.1 | Very high | 98.6 | Very high | 156 Ų | 156 | 53.1 Ų | 53.1 | 68% | 0.678 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59 | 21.4 | -179.2 | -52.3 | 179.4 | -179.5 | 177.3 | 0 | 114.6 | Y189 H190 R191 Y195 | Y189-K193 PolarHBondContact O-N 2.9Å; H190-K193 PolarHBondContact O-N 3.45Å; R191-K193 PolarHBondContact O-N 2.73Å; K193-Y195 HydrophobicContact CB-CE1 4.37Å; K193-Y195 HydrophobicContact CB-CE2 4.4Å; K193-Y195 PolarHBondContact O-N 3.48Å |
| 194 | N | 98.3 | Very high | 98.6 | Very high | 62 Ų | 62 | 55.7 Ų | 55.7 | 33% | 0.332 | 25% | 0.253 | S | S | . | . | trans | -91.2 | 77.7 | 171 | -167.7 | -33.6 | 0 | 0 | 0 | 109.3 | Y189 L192 D196 L197 A198 | Y189-N194 HydrophobicContact CD1-CB 3.94Å; Y189-N194 PolarHBondContact O-N 3.47Å; L192-N194 PolarHBondContact O-N 3.32Å; N194-D196 VanDerWaalsContact C-N 3.35Å; N194-D196 PolarHBondContact O-N 2.93Å; N194-L197 VanDerWaalsContact ND2-CD1 3.32Å; N194-L197 WeakPolarHBondContact ND2-CD1 3.35Å; N194-L197 PolarHBondContact O-N 3.22Å; N194-L197 WeakPolarHBondContact OD1-CB 3.09Å; N194-L197 WeakPolarHBondContact OD1-CG 3.49Å; N194-L197 PolarHBondContact OD1-N 3.45Å; N194-A198 WeakPolarHBondContact O-CB 3.49Å; N194-A198 PolarHBondContact O-N 2.86Å | ||
| 195 | Y | 98.4 | Very high | 98.6 | Very high | 116 Ų | 116 | 55.1 Ų | 55.1 | 46% | 0.455 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -69 | -30.6 | -169.9 | -56.9 | -48.1 | 0 | 0 | 0 | 113.6 | H190 K193 A198 K199 L229 | H190-Y195 AromaticContact CD2-CE1 3.98Å; K193-Y195 HydrophobicContact CB-CE1 4.37Å; K193-Y195 HydrophobicContact CB-CE2 4.4Å; K193-Y195 PolarHBondContact O-N 3.48Å; Y195-A198 PolarHBondContact O-N 2.72Å; Y195-K199 WeakPolarHBondContact O-CB 3.49Å; Y195-K199 PolarHBondContact O-N 2.79Å; Y195-L229 HydrophobicContact CD1-CD2 3.43Å; Y195-L229 VanDerWaalsContact CD1-CD2 3.43Å; Y195-L229 HydrophobicContact CE1-CD2 4.37Å; Y195-L229 HydrophobicContact CG-CD2 3.95Å |
| 196 | D | 98.4 | Very high | 98.6 | Very high | 136 Ų | 136 | 57.9 Ų | 57.9 | 73% | 0.727 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.6 | -47.8 | 176.2 | -66.1 | -37.2 | 0 | 0 | 0 | 111.3 | N194 K199 H200 | N194-D196 VanDerWaalsContact C-N 3.35Å; N194-D196 PolarHBondContact O-N 2.93Å; D196-K199 PolarHBondContact O-N 3.46Å; D196-H200 WeakPolarHBondContact O-CB 3.49Å; D196-H200 PolarHBondContact O-N 3.45Å |
| 197 | L | 98.5 | Very high | 98.5 | Very high | 61 Ų | 61 | 64.7 Ų | 64.7 | 32% | 0.319 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.5 | -34.9 | 175.9 | -68 | -179 | 0 | 0 | 0 | 112 | Y189 N194 K199 H200 Y201 | Y189-L197 HydrophobicContact CD1-CB 3.94Å; Y189-L197 HydrophobicContact CD1-CD1 4.03Å; Y189-L197 HydrophobicContact CD2-CB 3.62Å; Y189-L197 HydrophobicContact CE1-CB 4.11Å; Y189-L197 HydrophobicContact CE1-CD1 3.46Å; Y189-L197 VanDerWaalsContact CE1-CD1 3.46Å; Y189-L197 HydrophobicContact CE1-CG 4.43Å; Y189-L197 HydrophobicContact CE2-CB 3.79Å; Y189-L197 HydrophobicContact CE2-CD1 4.11Å; Y189-L197 HydrophobicContact CG-CB 3.7Å; N194-L197 VanDerWaalsContact ND2-CD1 3.32Å; N194-L197 WeakPolarHBondContact ND2-CD1 3.35Å; N194-L197 PolarHBondContact O-N 3.22Å; N194-L197 WeakPolarHBondContact OD1-CB 3.09Å; N194-L197 WeakPolarHBondContact OD1-CG 3.49Å; N194-L197 PolarHBondContact OD1-N 3.45Å; L197-K199 VanDerWaalsContact C-N 3.34Å; L197-K199 PolarHBondContact O-N 3.31Å; L197-H200 PolarHBondContact O-N 3.47Å; L197-Y201 WeakPolarHBondContact O-CD2 3.22Å; L197-Y201 PolarHBondContact O-N 2.9Å |
| 198 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A186 H190 N194 Y195 Y201 C202 L229 | A186-A198 WeakPolarHBondContact O-CB 3.37Å; H190-A198 HydrophobicContact CB-CB 3.99Å; N194-A198 WeakPolarHBondContact O-CB 3.49Å; N194-A198 PolarHBondContact O-N 2.86Å; Y195-A198 PolarHBondContact O-N 2.72Å; A198-Y201 PolarHBondContact O-N 2.95Å; A198-C202 PolarHBondContact O-N 3.21Å; A198-C202 PolarHBondContact O-SG 3.15Å; A198-L229 HydrophobicContact CB-CD1 3.9Å; A198-L229 HydrophobicContact CB-CD2 3.93Å |
| 199 | K | 98.7 | Very high | 98.4 | Very high | 102 Ų | 102 | 69.8 Ų | 69.8 | 44% | 0.443 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 176.7 | -177.4 | 171.1 | -175.8 | 175.1 | 0 | 111.9 | Y195 D196 L197 Y201 C202 H203 L226 L229 | Y195-K199 WeakPolarHBondContact O-CB 3.49Å; Y195-K199 PolarHBondContact O-N 2.79Å; D196-K199 PolarHBondContact O-N 3.46Å; L197-K199 VanDerWaalsContact C-N 3.34Å; L197-K199 PolarHBondContact O-N 3.31Å; K199-Y201 PolarHBondContact O-N 3.17Å; K199-C202 WeakPolarHBondContact O-CB 3.39Å; K199-C202 PolarHBondContact O-N 2.96Å; K199-H203 PolarHBondContact O-CD2 3.24Å; K199-H203 PolarHBondContact O-N 3.48Å; K199-L226 HydrophobicContact CB-CD2 4.38Å; K199-L226 HydrophobicContact CG-CD2 3.76Å; K199-L229 HydrophobicContact CB-CD1 4.3Å |
| 200 | H | 98.5 | Very high | 98.2 | Very high | 91 Ų | 91 | 71.7 Ų | 71.7 | 42% | 0.421 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -54.8 | -49.8 | 175.7 | 173.9 | 68.6 | 0 | 0 | 0 | 111.9 | D196 L197 H203 K204 | D196-H200 WeakPolarHBondContact O-CB 3.49Å; D196-H200 PolarHBondContact O-N 3.45Å; L197-H200 PolarHBondContact O-N 3.47Å; H200-H203 PolarHBondContact O-N 3.33Å; H200-K204 WeakPolarHBondContact NE2-CE 3.14Å; H200-K204 PolarHBondContact O-N 3.08Å; H200-K204 VanDerWaalsContact O-N 3.1Å |
| 201 | Y | 98.7 | Very high | 97.9 | Very high | 22 Ų | 22 | 75.7 Ų | 75.7 | 9% | 0.086 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -72.4 | -29.1 | 179.5 | -85.4 | -87.1 | 0 | 0 | 0 | 113.4 | E171 I185 Y189 L197 A198 K199 H203 K204 V205 | E171-Y201 HydrophobicContact CG-CE1 4.45Å; I185-Y201 HydrophobicContact CB-CD1 3.8Å; I185-Y201 HydrophobicContact CB-CD2 4.49Å; I185-Y201 HydrophobicContact CB-CE1 4.04Å; I185-Y201 HydrophobicContact CB-CG 4.04Å; I185-Y201 HydrophobicContact CD1-CD1 4.03Å; I185-Y201 HydrophobicContact CD1-CE1 3.49Å; I185-Y201 VanDerWaalsContact CD1-CE1 3.49Å; I185-Y201 HydrophobicContact CG1-CE1 4.35Å; I185-Y201 HydrophobicContact CG2-CD1 3.62Å; I185-Y201 HydrophobicContact CG2-CD2 3.49Å; I185-Y201 VanDerWaalsContact CG2-CD2 3.49Å; I185-Y201 HydrophobicContact CG2-CE1 3.69Å; I185-Y201 HydrophobicContact CG2-CE2 3.55Å; I185-Y201 HydrophobicContact CG2-CG 3.52Å; Y189-Y201 HydrophobicContact CD2-CD2 4.02Å; Y189-Y201 HydrophobicContact CD2-CE2 4.38Å; Y189-Y201 AromaticContact CE2-CD2 3.81Å; Y189-Y201 HydrophobicContact CE2-CD2 3.81Å; Y189-Y201 AromaticContact CE2-CE2 3.7Å; Y189-Y201 HydrophobicContact CE2-CE2 3.7Å; L197-Y201 WeakPolarHBondContact O-CD2 3.22Å; L197-Y201 PolarHBondContact O-N 2.9Å; A198-Y201 PolarHBondContact O-N 2.95Å; K199-Y201 PolarHBondContact O-N 3.17Å; Y201-H203 VanDerWaalsContact C-N 3.32Å; Y201-H203 PolarHBondContact O-N 3.05Å; Y201-K204 HydrophobicContact CD1-CD 3.88Å; Y201-K204 HydrophobicContact CE1-CD 3.95Å; Y201-K204 HydrophobicContact CG-CD 4.48Å; Y201-K204 WeakPolarHBondContact O-CB 3.46Å; Y201-K204 PolarHBondContact O-N 3.28Å; Y201-V205 WeakPolarHBondContact O-CG2 3.31Å; Y201-V205 PolarHBondContact O-N 3.43Å |
| 202 | C | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 169.4 | -70 | 0 | 0 | 0 | 0 | 111.3 | A198 K199 V205 L206 A222 L226 | A198-C202 PolarHBondContact O-N 3.21Å; A198-C202 PolarHBondContact O-SG 3.15Å; K199-C202 WeakPolarHBondContact O-CB 3.39Å; K199-C202 PolarHBondContact O-N 2.96Å; C202-V205 WeakPolarHBondContact O-CB 3.46Å; C202-V205 PolarHBondContact O-N 3.2Å; C202-L206 WeakPolarHBondContact O-CG 3.32Å; C202-L206 PolarHBondContact O-N 3Å; C202-A222 HydrophobicContact CB-CB 4.29Å; C202-L226 HydrophobicContact CB-CD1 3.86Å; C202-L226 HydrophobicContact CB-CD2 3.67Å; C202-L226 HydrophobicContact CB-CG 3.55Å |
| 203 | H | 98.6 | Very high | 97.6 | Very high | 80 Ų | 80 | 70.1 Ų | 70.1 | 37% | 0.37 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 176 | -72.4 | -56.9 | 0 | 0 | 0 | 112 | K199 H200 Y201 V205 L206 E207 | K199-H203 PolarHBondContact O-CD2 3.24Å; K199-H203 PolarHBondContact O-N 3.48Å; H200-H203 PolarHBondContact O-N 3.33Å; Y201-H203 VanDerWaalsContact C-N 3.32Å; Y201-H203 PolarHBondContact O-N 3.05Å; H203-V205 VanDerWaalsContact C-N 3.28Å; H203-V205 PolarHBondContact O-N 3.41Å; H203-L206 WeakPolarHBondContact O-CB 3.3Å; H203-L206 PolarHBondContact O-N 3.22Å; H203-E207 WeakPolarHBondContact O-CG 3.35Å; H203-E207 PolarHBondContact O-N 2.91Å |
| 204 | K | 98.4 | Very high | 97.6 | Very high | 55 Ų | 55 | 63.2 Ų | 63.2 | 24% | 0.239 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54 | -43.1 | 171.6 | -75.9 | -174.2 | 158.1 | -168.9 | 0 | 112.8 | E171 H200 Y201 L206 E207 F208 | E171-K204 IonicContact OE1-NZ 3.08Å; H200-K204 WeakPolarHBondContact NE2-CE 3.14Å; H200-K204 PolarHBondContact O-N 3.08Å; H200-K204 VanDerWaalsContact O-N 3.1Å; Y201-K204 HydrophobicContact CD1-CD 3.88Å; Y201-K204 HydrophobicContact CE1-CD 3.95Å; Y201-K204 HydrophobicContact CG-CD 4.48Å; Y201-K204 WeakPolarHBondContact O-CB 3.46Å; Y201-K204 PolarHBondContact O-N 3.28Å; K204-L206 VanDerWaalsContact C-N 3.28Å; K204-L206 PolarHBondContact O-N 3.23Å; K204-E207 WeakPolarHBondContact O-CB 3.23Å; K204-E207 PolarHBondContact O-N 3.49Å; K204-F208 VanDerWaalsContact O-CD2 3.25Å; K204-F208 WeakPolarHBondContact O-CD2 3.39Å |
| 205 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.5 | -38.8 | 176.5 | 173 | 0 | 0 | 0 | 0 | 111.7 | V179 L183 Y201 C202 H203 E207 F208 A218 K219 A222 | V179-V205 HydrophobicContact CG2-CG1 3.96Å; L183-V205 HydrophobicContact CB-CG2 3.98Å; L183-V205 VanDerWaalsContact N-CG2 3.29Å; Y201-V205 WeakPolarHBondContact O-CG2 3.31Å; Y201-V205 PolarHBondContact O-N 3.43Å; C202-V205 WeakPolarHBondContact O-CB 3.46Å; C202-V205 PolarHBondContact O-N 3.2Å; H203-V205 VanDerWaalsContact C-N 3.28Å; H203-V205 PolarHBondContact O-N 3.41Å; V205-E207 VanDerWaalsContact C-N 3.25Å; V205-E207 PolarHBondContact O-N 3.12Å; V205-F208 PolarHBondContact O-N 3.02Å; V205-A218 HydrophobicContact CG1-CB 3.87Å; V205-A218 WeakPolarHBondContact CG1-O 3.42Å; V205-K219 HydrophobicContact CG1-CG 4.27Å; V205-A222 HydrophobicContact CB-CB 3.88Å; V205-A222 HydrophobicContact CG1-CB 3.7Å; V205-A222 HydrophobicContact CG2-CB 4.47Å |
| 206 | L | 98.5 | Very high | 97.5 | Very high | 59 Ų | 59 | 59.8 Ų | 59.8 | 31% | 0.309 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.6 | -22.5 | -180 | -61.6 | 178.7 | 0 | 0 | 0 | 113.3 | C202 H203 K204 K219 A222 L226 | C202-L206 WeakPolarHBondContact O-CG 3.32Å; C202-L206 PolarHBondContact O-N 3Å; H203-L206 WeakPolarHBondContact O-CB 3.3Å; H203-L206 PolarHBondContact O-N 3.22Å; K204-L206 VanDerWaalsContact C-N 3.28Å; K204-L206 PolarHBondContact O-N 3.23Å; L206-K219 HydrophobicContact CD2-CB 4.12Å; L206-K219 HydrophobicContact CD2-CG 4.18Å; L206-K219 WeakPolarHBondContact O-CE 3.38Å; L206-K219 PolarHBondContact O-NZ 2.87Å; L206-K219 VanDerWaalsContact O-NZ 3.14Å; L206-A222 HydrophobicContact CD2-CB 4.47Å; L206-L226 HydrophobicContact CD1-CD1 3.75Å |
| 207 | E | 98 | Very high | 97.4 | Very high | 142 Ų | 142 | 56.4 Ų | 56.4 | 66% | 0.664 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -78.2 | -18 | 179 | -68.9 | 170.7 | 176.8 | 0 | 0 | 114.1 | H203 K204 V205 | H203-E207 WeakPolarHBondContact O-CG 3.35Å; H203-E207 PolarHBondContact O-N 2.91Å; K204-E207 WeakPolarHBondContact O-CB 3.23Å; K204-E207 PolarHBondContact O-N 3.49Å; V205-E207 VanDerWaalsContact C-N 3.25Å; V205-E207 PolarHBondContact O-N 3.12Å |
| 208 | F | 98.2 | Very high | 97.4 | Very high | 22 Ų | 22 | 53.5 Ų | 53.5 | 10% | 0.096 | 26% | 0.263 | C | S | . | . | trans | -57.6 | 149 | 174 | -80.4 | -100.5 | 0 | 0 | 0 | 110.8 | G176 V179 K204 V205 E210 T215 K219 | G176-F208 WeakPolarHBondContact O-CE1 3.46Å; G176-F208 WeakPolarHBondContact O-CZ 3.35Å; V179-F208 HydrophobicContact CB-CD1 3.71Å; V179-F208 HydrophobicContact CB-CD2 4.15Å; V179-F208 HydrophobicContact CB-CE1 3.85Å; V179-F208 HydrophobicContact CB-CE2 4.28Å; V179-F208 HydrophobicContact CB-CG 3.87Å; V179-F208 HydrophobicContact CB-CZ 4.13Å; V179-F208 HydrophobicContact CG2-CB 4.06Å; V179-F208 HydrophobicContact CG2-CD1 4.08Å; V179-F208 HydrophobicContact CG2-CD2 3.75Å; V179-F208 HydrophobicContact CG2-CE1 4.49Å; V179-F208 HydrophobicContact CG2-CE2 4.19Å; V179-F208 HydrophobicContact CG2-CG 3.68Å; K204-F208 VanDerWaalsContact O-CD2 3.25Å; K204-F208 WeakPolarHBondContact O-CD2 3.39Å; V205-F208 PolarHBondContact O-N 3.02Å; F208-E210 WeakPolarHBondContact CD1-OE2 3.32Å; F208-T215 HydrophobicContact CB-CG2 3.93Å; F208-K219 WeakPolarHBondContact O-CE 3.36Å; F208-K219 PolarHBondContact O-NZ 3.49Å | ||
| 209 | T | 96.8 | Very high | 97.4 | Very high | 125 Ų | 125 | 56.5 Ų | 56.5 | 77% | 0.767 | 28% | 0.276 | S | S | * | . | trans | -123.9 | -2.4 | -172.4 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 210 | E | 94 | Very high | 97.4 | Very high | 65 Ų | 65 | 58 Ų | 58 | 30% | 0.304 | 28% | 0.282 | S | S | . | . | trans | -60.3 | 133.7 | 178.9 | -70.3 | 68.2 | -157.3 | 0 | 0 | 111.1 | F208 D212 T215 | F208-E210 WeakPolarHBondContact CD1-OE2 3.32Å; E210-D212 WeakPolarHBondContact CB-OD2 3.33Å; E210-D212 PolarHBondContact O-N 2.95Å; E210-T215 HydrophobicContact CB-CG2 4.35Å; E210-T215 WeakPolarHBondContact CB-OG1 3.31Å; E210-T215 WeakPolarHBondContact O-CB 3.1Å; E210-T215 VanDerWaalsContact O-CG2 3.32Å; E210-T215 WeakPolarHBondContact O-CG2 3.38Å | ||
| 211 | D | 92.6 | Very high | 97.4 | Very high | 129 Ų | 129 | 57.1 Ų | 57.1 | 69% | 0.69 | 28% | 0.278 | S | S | * | . | trans | -95.6 | 75.6 | 172.1 | -174 | 25.2 | 0 | 0 | 0 | 109.3 | K53 | K53-D211 IonicContact NZ-OD1 2.92Å; K53-D211 PolarHBondContact NZ-OD1 3.23Å | ||
| 212 | D | 95.3 | Very high | 97.4 | Very high | 26 Ų | 26 | 56 Ų | 56 | 14% | 0.139 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -143.1 | 169.3 | 177.9 | 64.3 | 43.3 | 0 | 0 | 0 | 111.9 | N49 E210 D214 T215 E216 | N49-D212 VanDerWaalsContact ND2-CB 3.33Å; N49-D212 WeakPolarHBondContact ND2-CB 3.02Å; N49-D212 PolarHBondContact ND2-OD1 3.2Å; N49-D212 PolarHBondContact ND2-OD2 3.22Å; E210-D212 WeakPolarHBondContact CB-OD2 3.33Å; E210-D212 PolarHBondContact O-N 2.95Å; D212-D214 PolarHBondContact OD1-N 2.8Å; D212-T215 PolarHBondContact O-N 3.49Å; D212-T215 VanDerWaalsContact OD1-CB 3.24Å; D212-T215 WeakPolarHBondContact OD1-CB 3.18Å; D212-T215 PolarHBondContact OD1-N 3.24Å; D212-T215 PolarHBondContact OD1-OG1 3.13Å; D212-E216 PolarHBondContact O-N 3.01Å; D212-E216 VanDerWaalsContact O-N 3.09Å |
| 213 | L | 95.8 | Very high | 97.3 | Very high | 24 Ų | 24 | 58.2 Ų | 58.2 | 13% | 0.126 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.8 | -46.9 | -174.8 | -179.3 | 68 | 0 | 0 | 0 | 112.3 | N49 K53 Y59 T215 E216 E217 | N49-L213 WeakPolarHBondContact O-CB 3.49Å; N49-L213 PolarHBondContact O-N 3.14Å; N49-L213 VanDerWaalsContact O-N 3.09Å; N49-L213 WeakPolarHBondContact OD1-CB 3.28Å; N49-L213 PolarHBondContact OD1-N 3.3Å; K53-L213 HydrophobicContact CB-CB 4.49Å; Y59-L213 HydrophobicContact CD2-CD2 3.67Å; Y59-L213 HydrophobicContact CE2-CD2 3.56Å; L213-T215 VanDerWaalsContact C-N 3.26Å; L213-T215 PolarHBondContact O-N 2.75Å; L213-E216 PolarHBondContact O-N 2.67Å; L213-E217 HydrophobicContact CD1-CG 4.13Å; L213-E217 HydrophobicContact CG-CG 4.32Å; L213-E217 WeakPolarHBondContact O-CB 3.47Å; L213-E217 WeakPolarHBondContact O-CG 3.26Å; L213-E217 PolarHBondContact O-N 3.31Å |
| 214 | D | 96.6 | Very high | 97.3 | Very high | 11 Ų | 11 | 58.5 Ų | 58.5 | 6% | 0.059 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57 | -41.5 | 180 | -85.7 | -3.1 | 0 | 0 | 0 | 111.1 | R45 N49 V179 K180 D212 A218 | R45-D214 IonicContact NH2-OD2 2.79Å; R45-D214 PolarHBondContact NH2-OD2 3.42Å; N49-D214 WeakPolarHBondContact OD1-CB 3.33Å; N49-D214 PolarHBondContact OD1-N 3.01Å; V179-D214 HydrophobicContact CG1-CB 4.12Å; K180-D214 HydrophobicContact CD-CB 4.23Å; K180-D214 WeakPolarHBondContact CE-OD1 3.37Å; K180-D214 HydrophobicContact CG-CB 4.41Å; K180-D214 IonicContact NZ-OD1 3.75Å; K180-D214 PolarHBondContact NZ-OD1 3.12Å; D212-D214 PolarHBondContact OD1-N 2.8Å; D214-A218 WeakPolarHBondContact O-CB 3.29Å; D214-A218 PolarHBondContact O-N 3.41Å |
| 215 | T | 97.8 | Very high | 97.3 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.6 | -41.8 | 179.9 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | V179 F208 E210 D212 L213 A218 K219 | V179-T215 HydrophobicContact CG2-CG2 4.43Å; F208-T215 HydrophobicContact CB-CG2 3.93Å; E210-T215 HydrophobicContact CB-CG2 4.35Å; E210-T215 WeakPolarHBondContact CB-OG1 3.31Å; E210-T215 WeakPolarHBondContact O-CB 3.1Å; E210-T215 VanDerWaalsContact O-CG2 3.32Å; E210-T215 WeakPolarHBondContact O-CG2 3.38Å; D212-T215 PolarHBondContact O-N 3.49Å; D212-T215 VanDerWaalsContact OD1-CB 3.24Å; D212-T215 WeakPolarHBondContact OD1-CB 3.18Å; D212-T215 PolarHBondContact OD1-N 3.24Å; D212-T215 PolarHBondContact OD1-OG1 3.13Å; L213-T215 VanDerWaalsContact C-N 3.26Å; L213-T215 PolarHBondContact O-N 2.75Å; T215-A218 PolarHBondContact O-N 3.4Å; T215-K219 HydrophobicContact CG2-CD 4.22Å; T215-K219 HydrophobicContact CG2-CG 4.4Å; T215-K219 WeakPolarHBondContact O-CB 3.45Å; T215-K219 VanDerWaalsContact O-CG 3.27Å; T215-K219 WeakPolarHBondContact O-CG 3.47Å; T215-K219 PolarHBondContact O-N 3.07Å |
| 216 | E | 97 | Very high | 97.3 | Very high | 101 Ų | 101 | 58.4 Ų | 58.4 | 47% | 0.472 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.7 | -48.9 | 175.7 | -175.7 | 176.9 | 138.6 | 0 | 0 | 111.7 | K53 D212 L213 K219 K220 | K53-E216 WeakPolarHBondContact CE-OE2 3.36Å; K53-E216 IonicContact NZ-OE2 3.3Å; K53-E216 PolarHBondContact NZ-OE2 3.41Å; D212-E216 PolarHBondContact O-N 3.01Å; D212-E216 VanDerWaalsContact O-N 3.09Å; L213-E216 PolarHBondContact O-N 2.67Å; E216-K219 PolarHBondContact O-N 2.63Å; E216-K220 WeakPolarHBondContact O-CB 3.35Å; E216-K220 PolarHBondContact O-N 2.92Å |
| 217 | E | 96.7 | Very high | 97.3 | Very high | 66 Ų | 66 | 63.9 Ų | 63.9 | 31% | 0.308 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 177.4 | -72 | -179.7 | 161.8 | 0 | 0 | 111.2 | K180 L213 K219 K220 E221 | K180-E217 IonicContact NZ-OE2 3.15Å; K180-E217 PolarHBondContact NZ-OE2 3.45Å; L213-E217 HydrophobicContact CD1-CG 4.13Å; L213-E217 HydrophobicContact CG-CG 4.32Å; L213-E217 WeakPolarHBondContact O-CB 3.47Å; L213-E217 WeakPolarHBondContact O-CG 3.26Å; L213-E217 PolarHBondContact O-N 3.31Å; E217-K219 PolarHBondContact O-N 2.88Å; E217-K220 PolarHBondContact O-N 3.18Å; E217-E221 PolarHBondContact O-N 3.23Å |
| 218 | A | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.3 | -42.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V179 L183 V205 D214 T215 K220 E221 A222 | V179-A218 HydrophobicContact CG1-CB 4.24Å; V179-A218 HydrophobicContact CG2-CB 3.68Å; L183-A218 HydrophobicContact CB-CB 4.27Å; L183-A218 HydrophobicContact CD2-CB 3.96Å; V205-A218 HydrophobicContact CG1-CB 3.87Å; V205-A218 WeakPolarHBondContact CG1-O 3.42Å; D214-A218 WeakPolarHBondContact O-CB 3.29Å; D214-A218 PolarHBondContact O-N 3.41Å; T215-A218 PolarHBondContact O-N 3.4Å; A218-K220 VanDerWaalsContact C-N 3.33Å; A218-K220 PolarHBondContact O-N 3.31Å; A218-E221 PolarHBondContact O-N 2.99Å; A218-A222 VanDerWaalsContact O-CB 3.27Å; A218-A222 WeakPolarHBondContact O-CB 3.41Å; A218-A222 PolarHBondContact O-N 2.97Å |
| 219 | K | 98.7 | Very high | 96.7 | Very high | 63 Ų | 63 | 67 Ų | 67 | 27% | 0.274 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 176 | -75.8 | -173.3 | 175.3 | -163.6 | 0 | 112.3 | V205 L206 F208 T215 E216 E217 S223 | V205-K219 HydrophobicContact CG1-CG 4.27Å; L206-K219 HydrophobicContact CD2-CB 4.12Å; L206-K219 HydrophobicContact CD2-CG 4.18Å; L206-K219 WeakPolarHBondContact O-CE 3.38Å; L206-K219 PolarHBondContact O-NZ 2.87Å; L206-K219 VanDerWaalsContact O-NZ 3.14Å; F208-K219 WeakPolarHBondContact O-CE 3.36Å; F208-K219 PolarHBondContact O-NZ 3.49Å; T215-K219 HydrophobicContact CG2-CD 4.22Å; T215-K219 HydrophobicContact CG2-CG 4.4Å; T215-K219 WeakPolarHBondContact O-CB 3.45Å; T215-K219 VanDerWaalsContact O-CG 3.27Å; T215-K219 WeakPolarHBondContact O-CG 3.47Å; T215-K219 PolarHBondContact O-N 3.07Å; E216-K219 PolarHBondContact O-N 2.63Å; E217-K219 PolarHBondContact O-N 2.88Å; K219-S223 WeakPolarHBondContact O-CB 3.26Å; K219-S223 PolarHBondContact O-N 3.27Å; K219-S223 PolarHBondContact O-OG 3.22Å |
| 220 | K | 98.3 | Very high | 96.7 | Very high | 134 Ų | 134 | 64.1 Ų | 64.1 | 58% | 0.583 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.4 | -51.7 | 174.6 | -178.7 | -177.7 | 174.6 | -175.1 | 0 | 110.8 | E216 E217 A218 A222 S223 E224 | E216-K220 WeakPolarHBondContact O-CB 3.35Å; E216-K220 PolarHBondContact O-N 2.92Å; E217-K220 PolarHBondContact O-N 3.18Å; A218-K220 VanDerWaalsContact C-N 3.33Å; A218-K220 PolarHBondContact O-N 3.31Å; K220-A222 PolarHBondContact O-N 2.98Å; K220-S223 PolarHBondContact O-N 3.32Å; K220-E224 VanDerWaalsContact CE-OE1 3.31Å; K220-E224 WeakPolarHBondContact CE-OE1 3.37Å; K220-E224 WeakPolarHBondContact O-CG 3.34Å; K220-E224 PolarHBondContact O-N 3.16Å |
| 221 | E | 98.4 | Very high | 96.8 | Very high | 71 Ų | 71 | 64.1 Ų | 64.1 | 33% | 0.332 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 178.3 | -77.3 | -169.3 | -123.2 | 0 | 0 | 112.2 | L183 K187 E217 A218 S223 E224 L225 | L183-E221 HydrophobicContact CD1-CB 3.8Å; L183-E221 HydrophobicContact CD2-CB 4.12Å; K187-E221 IonicContact NZ-OE2 2.73Å; K187-E221 PolarHBondContact NZ-OE2 3.15Å; E217-E221 PolarHBondContact O-N 3.23Å; A218-E221 PolarHBondContact O-N 2.99Å; E221-S223 PolarHBondContact O-N 2.98Å; E221-E224 PolarHBondContact O-N 2.91Å; E221-L225 WeakPolarHBondContact O-CB 3.33Å; E221-L225 PolarHBondContact O-N 3.12Å |
| 222 | A | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L183 C202 V205 L206 A218 K220 E224 L225 L226 | L183-A222 HydrophobicContact CD1-CB 4.16Å; C202-A222 HydrophobicContact CB-CB 4.29Å; V205-A222 HydrophobicContact CB-CB 3.88Å; V205-A222 HydrophobicContact CG1-CB 3.7Å; V205-A222 HydrophobicContact CG2-CB 4.47Å; L206-A222 HydrophobicContact CD2-CB 4.47Å; A218-A222 VanDerWaalsContact O-CB 3.27Å; A218-A222 WeakPolarHBondContact O-CB 3.41Å; A218-A222 PolarHBondContact O-N 2.97Å; K220-A222 PolarHBondContact O-N 2.98Å; A222-E224 VanDerWaalsContact C-N 3.34Å; A222-E224 PolarHBondContact O-N 3.16Å; A222-L225 PolarHBondContact O-N 3.34Å; A222-L226 WeakPolarHBondContact O-CB 3.16Å; A222-L226 WeakPolarHBondContact O-CG 3.38Å; A222-L226 PolarHBondContact O-N 3.1Å |
| 223 | S | 98.7 | Very high | 97.1 | Very high | 46 Ų | 46 | 62.5 Ų | 62.5 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.3 | -38 | 175.2 | -61 | 0 | 0 | 0 | 0 | 112.3 | K219 K220 E221 K227 | K219-S223 WeakPolarHBondContact O-CB 3.26Å; K219-S223 PolarHBondContact O-N 3.27Å; K219-S223 PolarHBondContact O-OG 3.22Å; K220-S223 PolarHBondContact O-N 3.32Å; E221-S223 PolarHBondContact O-N 2.98Å; S223-K227 WeakPolarHBondContact O-CG 3.38Å; S223-K227 PolarHBondContact O-N 3.19Å |
| 224 | E | 98.5 | Very high | 97.2 | Very high | 86 Ų | 86 | 64.9 Ų | 64.9 | 40% | 0.402 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.1 | -35.4 | 174.7 | -72.1 | 176.6 | -173.4 | 0 | 0 | 112.5 | K220 E221 A222 K227 | K220-E224 VanDerWaalsContact CE-OE1 3.31Å; K220-E224 WeakPolarHBondContact CE-OE1 3.37Å; K220-E224 WeakPolarHBondContact O-CG 3.34Å; K220-E224 PolarHBondContact O-N 3.16Å; E221-E224 PolarHBondContact O-N 2.91Å; A222-E224 VanDerWaalsContact C-N 3.34Å; A222-E224 PolarHBondContact O-N 3.16Å; E224-K227 PolarHBondContact O-N 3.21Å |
| 225 | L | 98.4 | Very high | 97.3 | Very high | 17 Ų | 17 | 68.5 Ų | 68.5 | 9% | 0.089 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.2 | -41.7 | 175.4 | -175.5 | 57 | 0 | 0 | 0 | 111.3 | A186 K187 H190 E221 A222 K227 K228 L229 | A186-L225 HydrophobicContact CB-CD2 4.21Å; K187-L225 HydrophobicContact CG-CD2 4.1Å; H190-L225 HydrophobicContact CB-CD1 4.18Å; H190-L225 HydrophobicContact CB-CD2 4.45Å; E221-L225 WeakPolarHBondContact O-CB 3.33Å; E221-L225 PolarHBondContact O-N 3.12Å; A222-L225 PolarHBondContact O-N 3.34Å; L225-K227 PolarHBondContact O-N 2.97Å; L225-K228 WeakPolarHBondContact O-CB 3.46Å; L225-K228 PolarHBondContact O-N 3.33Å; L225-L229 HydrophobicContact CG-CD1 4.09Å; L225-L229 PolarHBondContact O-N 3.07Å |
| 226 | L | 98.3 | Very high | 97.2 | Very high | 36 Ų | 36 | 73.1 Ų | 73.1 | 19% | 0.188 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.1 | -27.7 | 175.4 | -79.2 | 169.6 | 0 | 0 | 0 | 113.7 | K199 C202 L206 A222 K228 L229 | K199-L226 HydrophobicContact CB-CD2 4.38Å; K199-L226 HydrophobicContact CG-CD2 3.76Å; C202-L226 HydrophobicContact CB-CD1 3.86Å; C202-L226 HydrophobicContact CB-CD2 3.67Å; C202-L226 HydrophobicContact CB-CG 3.55Å; L206-L226 HydrophobicContact CD1-CD1 3.75Å; A222-L226 WeakPolarHBondContact O-CB 3.16Å; A222-L226 WeakPolarHBondContact O-CG 3.38Å; A222-L226 PolarHBondContact O-N 3.1Å; L226-K228 PolarHBondContact O-N 3.23Å; L226-L229 HydrophobicContact CD2-CD1 4.43Å |
| 227 | K | 97.6 | Very high | 97.2 | Very high | 173 Ų | 173 | 70.9 Ų | 70.9 | 75% | 0.752 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -15.2 | 175.2 | -67.3 | 170.9 | -172.9 | 176.3 | 0 | 113.2 | S223 E224 L225 | S223-K227 WeakPolarHBondContact O-CG 3.38Å; S223-K227 PolarHBondContact O-N 3.19Å; E224-K227 PolarHBondContact O-N 3.21Å; L225-K227 PolarHBondContact O-N 2.97Å |
| 228 | K | 92.9 | Very high | 97.3 | Very high | 153 Ų | 153 | 71.3 Ų | 71.3 | 67% | 0.665 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | -11.1 | -177.3 | -58.8 | 170.8 | -174.5 | 168.5 | 0 | 112.6 | L225 L226 | L225-K228 WeakPolarHBondContact O-CB 3.46Å; L225-K228 PolarHBondContact O-N 3.33Å; L226-K228 PolarHBondContact O-N 3.23Å |
| 229 | L | 90.6 | Very high | 97.2 | Very high | 77 Ų | 77 | 77.8 Ų | 77.8 | 40% | 0.403 | 37% | 0.365 | S | S | . | . | trans | -95.3 | 0 | 178.9 | -72.2 | 170.1 | 0 | 0 | 0 | 110.1 | Y195 A198 K199 L225 L226 | Y195-L229 HydrophobicContact CD1-CD2 3.43Å; Y195-L229 VanDerWaalsContact CD1-CD2 3.43Å; Y195-L229 HydrophobicContact CE1-CD2 4.37Å; Y195-L229 HydrophobicContact CG-CD2 3.95Å; A198-L229 HydrophobicContact CB-CD1 3.9Å; A198-L229 HydrophobicContact CB-CD2 3.93Å; K199-L229 HydrophobicContact CB-CD1 4.3Å; L225-L229 HydrophobicContact CG-CD1 4.09Å; L225-L229 PolarHBondContact O-N 3.07Å; L226-L229 HydrophobicContact CD2-CD1 4.43Å |
Retrieved 229 of 229 residues in 112 ms
(Link to these results)