| 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 | V | 96.6 | Very high | 97.5 | Very high | 31 Ų | 31 | 35.2 Ų | 35.2 | 19% | 0.188 | 18% | 0.178 | C | C | . | . | 0 | -67.9 | 0 | -177.3 | 0 | 0 | 0 | 0 | 113.2 | T3 Y4 L5 L31 L32 I42 L46 | V1-T3 VanDerWaalsContact C-N 3.3Å; V1-T3 PolarHBondContact O-N 3.24Å; V1-T3 VanDerWaalsContact O-N 3.13Å; V1-Y4 PolarHBondContact O-N 3.01Å; V1-Y4 VanDerWaalsContact O-N 3.13Å; V1-L5 HydrophobicContact CG1-CD1 3.51Å; V1-L5 HydrophobicContact CG1-CG 3.9Å; V1-L5 PolarHBondContact O-N 3.01Å; V1-L31 HydrophobicContact CG2-CB 3.52Å; V1-L31 HydrophobicContact CG2-CD1 3.64Å; V1-L31 HydrophobicContact CG2-CG 4.26Å; V1-L32 HydrophobicContact CG1-CD1 4.23Å; V1-L32 HydrophobicContact CG1-CD2 4.02Å; V1-L32 HydrophobicContact CG1-CG 4.03Å; V1-I42 HydrophobicContact CG1-CD1 4.49Å; V1-L46 HydrophobicContact CG1-CD1 4.42Å | |||
| 2 | Y | 98.3 | Very high | 97.1 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -48.4 | -46.6 | -175.1 | -161.8 | -93.9 | 0 | 0 | 0 | 114.4 | R6 I42 D45 L49 F92 R96 | Y2-R6 PolarHBondContact O-N 3.22Å; Y2-I42 HydrophobicContact CD2-CB 4.4Å; Y2-I42 HydrophobicContact CD2-CD1 4.02Å; Y2-I42 HydrophobicContact CD2-CG1 4.12Å; Y2-I42 HydrophobicContact CD2-CG2 3.37Å; Y2-I42 HydrophobicContact CE2-CG2 3.53Å; Y2-D45 HydrophobicContact CE2-CB 4.01Å; Y2-L49 HydrophobicContact CD1-CD1 4.19Å; Y2-L49 HydrophobicContact CD2-CD1 3.45Å; Y2-L49 VanDerWaalsContact CD2-CD1 3.45Å; Y2-L49 HydrophobicContact CE1-CD1 4.22Å; Y2-L49 HydrophobicContact CE2-CD1 3.51Å; Y2-L49 HydrophobicContact CE2-CG 4.33Å; Y2-L49 HydrophobicContact CG-CD1 3.82Å; Y2-L49 WeakPolarHBondContact O-CD1 3.28Å; Y2-F92 HydrophobicContact CD1-CB 4.1Å; Y2-F92 HydrophobicContact CD1-CD1 4.43Å; Y2-F92 HydrophobicContact CD2-CB 4.03Å; Y2-F92 HydrophobicContact CD2-CD1 4.18Å; Y2-F92 HydrophobicContact CD2-CG 4.28Å; Y2-F92 HydrophobicContact CE1-CB 3.96Å; Y2-F92 WeakPolarHBondContact CE1-O 3.29Å; Y2-F92 HydrophobicContact CE2-CB 3.91Å; Y2-F92 HydrophobicContact CG-CB 4.13Å; Y2-F92 AromaticContact CG-CD1 3.95Å; Y2-F92 HydrophobicContact CG-CD1 3.95Å; Y2-F92 HydrophobicContact CG-CG 4.38Å; Y2-R96 HydrophobicContact CD1-CG 4.02Å; Y2-R96 HydrophobicContact CE1-CG 3.48Å; Y2-R96 VanDerWaalsContact CE1-CG 3.48Å |
| 3 | T | 98.3 | Very high | 96.7 | Very high | 50 Ų | 50 | 42.5 Ų | 42.5 | 31% | 0.307 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.2 | -54.6 | 179 | -62.6 | 0 | 0 | 0 | 0 | 113 | V1 R6 L7 R96 | V1-T3 VanDerWaalsContact C-N 3.3Å; V1-T3 PolarHBondContact O-N 3.24Å; V1-T3 VanDerWaalsContact O-N 3.13Å; T3-R6 PolarHBondContact O-N 3.39Å; T3-L7 HydrophobicContact CG2-CD1 4.06Å; T3-L7 WeakPolarHBondContact O-CG 3.38Å; T3-L7 PolarHBondContact O-N 3.46Å; T3-R96 VanDerWaalsContact CA-NH1 3.33Å; T3-R96 PolarHBondContact O-NH1 2.87Å; T3-R96 PolarHBondContact OG1-NH2 3.27Å; T3-R96 VanDerWaalsContact OG1-NH2 3.1Å |
| 4 | Y | 98.5 | Very high | 96.7 | Very high | 102 Ų | 102 | 44.4 Ų | 44.4 | 40% | 0.4 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -76 | -36.5 | -172.3 | -71.6 | -73.2 | 0 | 0 | 0 | 112.3 | V1 R6 L7 I8 E24 F27 C28 | V1-Y4 PolarHBondContact O-N 3.01Å; V1-Y4 VanDerWaalsContact O-N 3.13Å; Y4-R6 PolarHBondContact O-N 3.39Å; Y4-L7 HydrophobicContact CD1-CD1 4.42Å; Y4-L7 PolarHBondContact O-N 3.25Å; Y4-I8 VanDerWaalsContact O-CG1 3.27Å; Y4-I8 WeakPolarHBondContact O-CG1 3.3Å; Y4-I8 PolarHBondContact O-N 2.82Å; Y4-E24 HydrophobicContact CD1-CB 4.43Å; Y4-E24 HydrophobicContact CD1-CG 3.75Å; Y4-E24 WeakPolarHBondContact CD1-OE1 3.21Å; Y4-E24 HydrophobicContact CE1-CG 4.35Å; Y4-F27 AromaticContact CD2-CD1 3.86Å; Y4-F27 HydrophobicContact CD2-CD1 3.86Å; Y4-F27 AromaticContact CD2-CE1 3.52Å; Y4-F27 HydrophobicContact CD2-CE1 3.52Å; Y4-F27 HydrophobicContact CE2-CD1 4.35Å; Y4-F27 AromaticContact CE2-CE1 3.88Å; Y4-F27 HydrophobicContact CE2-CE1 3.88Å; Y4-F27 HydrophobicContact CG-CD1 4.28Å; Y4-F27 HydrophobicContact CG-CE1 4.37Å; Y4-C28 WeakPolarHBondContact CB-SG 3.46Å |
| 5 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -54.7 | -37.3 | 171.3 | -78.4 | -177.5 | 0 | 0 | 0 | 112.3 | V1 C28 L32 L46 L49 L50 V53 F59 | V1-L5 HydrophobicContact CG1-CD1 3.51Å; V1-L5 HydrophobicContact CG1-CG 3.9Å; V1-L5 PolarHBondContact O-N 3.01Å; L5-C28 HydrophobicContact CD2-CB 3.89Å; L5-C28 HydrophobicContact CG-CB 4.31Å; L5-L32 HydrophobicContact CD1-CD1 4.32Å; L5-L32 HydrophobicContact CD2-CD1 4.31Å; L5-L46 HydrophobicContact CD1-CD1 3.6Å; L5-L49 HydrophobicContact CB-CB 4.04Å; L5-L49 HydrophobicContact CB-CD1 4.13Å; L5-L49 HydrophobicContact CD1-CB 4.22Å; L5-L50 HydrophobicContact CD1-CD2 3.99Å; L5-L50 HydrophobicContact CD1-CG 4.39Å; L5-L50 HydrophobicContact CD2-CD2 4.17Å; L5-V53 HydrophobicContact CD2-CG2 4.34Å; L5-F59 HydrophobicContact CD2-CD1 4.5Å; L5-F59 HydrophobicContact CD2-CE1 3.41Å; L5-F59 VanDerWaalsContact CD2-CE1 3.41Å; L5-F59 HydrophobicContact CD2-CE2 4.33Å; L5-F59 HydrophobicContact CD2-CZ 3.3Å |
| 6 | R | 98 | Very high | 96.7 | Very high | 16 Ų | 16 | 53.9 Ų | 53.9 | 6% | 0.06 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.7 | -43.1 | 176.3 | 173.8 | 56.2 | -171.7 | 76.7 | 11.4 | 112.2 | Y2 T3 Y4 D10 L49 S136 D140 | Y2-R6 PolarHBondContact O-N 3.22Å; T3-R6 PolarHBondContact O-N 3.39Å; Y4-R6 PolarHBondContact O-N 3.39Å; R6-D10 IonicContact CZ-OD2 2.88Å; R6-D10 IonicContact NH1-OD1 3.24Å; R6-D10 PolarHBondContact NH1-OD1 3.13Å; R6-D10 IonicContact NH1-OD2 3.26Å; R6-D10 PolarHBondContact NH1-OD2 3.35Å; R6-D10 IonicContact NH2-OD2 2.9Å; R6-L49 HydrophobicContact CB-CD2 3.97Å; R6-S136 PolarHBondContact NH1-OG 3.43Å; R6-S136 VanDerWaalsContact NH2-CB 3.34Å; R6-S136 PolarHBondContact NH2-O 3.2Å; R6-S136 PolarHBondContact NH2-OG 3.17Å; R6-D140 IonicContact CZ-OD2 3.16Å; R6-D140 IonicContact NE-OD1 3.76Å; R6-D140 PolarHBondContact NE-OD1 2.92Å; R6-D140 IonicContact NE-OD2 3.59Å; R6-D140 PolarHBondContact NE-OD2 3.48Å; R6-D140 IonicContact NH2-OD2 2.8Å; R6-D140 PolarHBondContact NH2-OD2 3.49Å |
| 7 | L | 97.8 | Very high | 96.8 | Very high | 56 Ų | 56 | 53.8 Ų | 53.8 | 29% | 0.293 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.9 | -30.9 | -176.2 | -68.8 | 174 | 0 | 0 | 0 | 113.3 | T3 Y4 V9 D10 H11 | T3-L7 HydrophobicContact CG2-CD1 4.06Å; T3-L7 WeakPolarHBondContact O-CG 3.38Å; T3-L7 PolarHBondContact O-N 3.46Å; Y4-L7 HydrophobicContact CD1-CD1 4.42Å; Y4-L7 PolarHBondContact O-N 3.25Å; L7-V9 PolarHBondContact O-N 3.35Å; L7-D10 PolarHBondContact O-N 3.4Å; L7-H11 PolarHBondContact O-N 3.44Å |
| 8 | I | 98.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -33.7 | 177.6 | -76.2 | 166.9 | 0 | 0 | 0 | 112.5 | Y4 D10 H11 R21 E24 V25 V53 I56 F59 | Y4-I8 VanDerWaalsContact O-CG1 3.27Å; Y4-I8 WeakPolarHBondContact O-CG1 3.3Å; Y4-I8 PolarHBondContact O-N 2.82Å; I8-D10 PolarHBondContact O-N 3.02Å; I8-H11 PolarHBondContact O-N 3.17Å; I8-R21 HydrophobicContact CG2-CG 4.1Å; I8-E24 HydrophobicContact CD1-CB 3.98Å; I8-E24 HydrophobicContact CG1-CB 3.62Å; I8-V25 HydrophobicContact CD1-CG2 3.98Å; I8-V25 HydrophobicContact CG1-CG2 4.4Å; I8-V25 HydrophobicContact CG2-CG2 4.3Å; I8-V53 HydrophobicContact CB-CG1 4.11Å; I8-V53 HydrophobicContact CG2-CB 4.34Å; I8-V53 HydrophobicContact CG2-CG1 3.58Å; I8-I56 HydrophobicContact CG2-CD1 3.47Å; I8-I56 VanDerWaalsContact CG2-CD1 3.47Å; I8-F59 HydrophobicContact CD1-CE2 3.94Å; I8-F59 HydrophobicContact CD1-CZ 4.05Å |
| 9 | V | 95.8 | Very high | 96.8 | Very high | 49 Ų | 49 | 57.5 Ų | 57.5 | 30% | 0.297 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -31.8 | 179 | -178.5 | 0 | 0 | 0 | 0 | 112 | L7 H12 N52 V53 | L7-V9 PolarHBondContact O-N 3.35Å; V9-H12 PolarHBondContact O-CE1 2.91Å; V9-H12 PolarHBondContact O-ND1 3.35Å; V9-N52 HydrophobicContact CG2-CB 3.92Å; V9-V53 HydrophobicContact CG2-CG1 3.86Å |
| 10 | D | 95.9 | Very high | 96.9 | Very high | 42 Ų | 42 | 58.2 Ų | 58.2 | 23% | 0.225 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -16.7 | -174.9 | -57.2 | -30.5 | 0 | 0 | 0 | 112.3 | R6 L7 I8 H12 S136 | R6-D10 IonicContact CZ-OD2 2.88Å; R6-D10 IonicContact NH1-OD1 3.24Å; R6-D10 PolarHBondContact NH1-OD1 3.13Å; R6-D10 IonicContact NH1-OD2 3.26Å; R6-D10 PolarHBondContact NH1-OD2 3.35Å; R6-D10 IonicContact NH2-OD2 2.9Å; L7-D10 PolarHBondContact O-N 3.4Å; I8-D10 PolarHBondContact O-N 3.02Å; D10-H12 PolarHBondContact O-N 2.9Å; D10-H12 VanDerWaalsContact O-N 3.14Å; D10-S136 WeakPolarHBondContact OD1-CB 3.47Å; D10-S136 PolarHBondContact OD1-OG 3.39Å; D10-S136 PolarHBondContact OD2-OG 2.88Å |
| 11 | H | 97.1 | Very high | 97 | Very high | 30 Ų | 30 | 59 Ų | 59 | 14% | 0.139 | 33% | 0.329 | C | S | . | . | trans | -90.7 | 76.7 | -174.5 | -64 | 159.8 | 0 | 0 | 0 | 112.7 | L7 I8 L17 R21 E24 | L7-H11 PolarHBondContact O-N 3.44Å; I8-H11 PolarHBondContact O-N 3.17Å; H11-L17 HydrophobicContact CB-CB 4.41Å; H11-L17 HydrophobicContact CB-CD2 4.39Å; H11-R21 HydrophobicContact CB-CB 3.86Å; H11-R21 WeakPolarHBondContact O-CB 3.02Å; H11-R21 WeakPolarHBondContact O-CD 3.46Å; H11-E24 IonicContact CE1-OE1 2.77Å; H11-E24 PolarHBondContact CE1-OE1 2.85Å; H11-E24 IonicContact CE1-OE2 3.06Å; H11-E24 PolarHBondContact CE1-OE2 2.9Å; H11-E24 IonicContact CG-OE2 3.54Å; H11-E24 IonicContact ND1-OE1 3.11Å; H11-E24 PolarHBondContact ND1-OE1 2.88Å; H11-E24 VanDerWaalsContact ND1-OE1 3.15Å; H11-E24 IonicContact ND1-OE2 2.73Å; H11-E24 PolarHBondContact ND1-OE2 3.37Å | ||
| 12 | H | 92.3 | Very high | 97.1 | Very high | 96 Ų | 96 | 61.3 Ų | 61.3 | 44% | 0.444 | 34% | 0.338 | S | S | . | . | trans | -144.3 | 178.2 | 176.3 | 59.6 | -85.7 | 0 | 0 | 0 | 111.8 | V9 D10 T14 L17 | V9-H12 PolarHBondContact O-CE1 2.91Å; V9-H12 PolarHBondContact O-ND1 3.35Å; D10-H12 PolarHBondContact O-N 2.9Å; D10-H12 VanDerWaalsContact O-N 3.14Å; H12-T14 VanDerWaalsContact C-N 3.33Å; H12-T14 PolarHBondContact O-N 2.82Å; H12-L17 VanDerWaalsContact O-CD1 3.24Å; H12-L17 WeakPolarHBondContact O-CD1 3.44Å | ||
| 13 | G | 92.5 | Very high | 97.1 | Very high | 69 Ų | 69 | 68 Ų | 68 | 71% | 0.711 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 85.4 | -20.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 14 | T | 96.1 | Very high | 97.1 | Very high | 69 Ų | 69 | 66.1 Ų | 66.1 | 42% | 0.423 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -132.6 | 155.7 | 175.6 | 73.1 | 0 | 0 | 0 | 0 | 112 | H12 Q16 L17 Q18 | H12-T14 VanDerWaalsContact C-N 3.33Å; H12-T14 PolarHBondContact O-N 2.82Å; T14-Q16 VanDerWaalsContact C-N 3.31Å; T14-Q16 PolarHBondContact O-N 3.15Å; T14-L17 HydrophobicContact CG2-CD1 4.47Å; T14-L17 PolarHBondContact O-N 3.22Å; T14-L17 WeakPolarHBondContact OG1-CB 3.22Å; T14-L17 VanDerWaalsContact OG1-CG 3.28Å; T14-L17 WeakPolarHBondContact OG1-CG 3.41Å; T14-L17 PolarHBondContact OG1-N 2.95Å; T14-Q18 VanDerWaalsContact O-CG 3.3Å; T14-Q18 WeakPolarHBondContact O-CG 3.24Å; T14-Q18 PolarHBondContact O-N 3.19Å |
| 15 | A | 96.6 | Very high | 97.1 | Very high | 77 Ų | 77 | 61.3 Ų | 61.3 | 64% | 0.636 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.7 | -39.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q18 A19 | A15-Q18 PolarHBondContact O-N 3.06Å; A15-A19 PolarHBondContact O-N 3.07Å |
| 16 | Q | 97.6 | Very high | 97.2 | Very high | 165 Ų | 165 | 65.2 Ų | 65.2 | 77% | 0.771 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.8 | -44 | 176.3 | -175.3 | -178.2 | 3.8 | 0 | 0 | 111.6 | T14 A19 L20 | T14-Q16 VanDerWaalsContact C-N 3.31Å; T14-Q16 PolarHBondContact O-N 3.15Å; Q16-A19 PolarHBondContact O-N 3.06Å; Q16-L20 PolarHBondContact O-N 3.49Å |
| 17 | L | 97.4 | Very high | 97.2 | Very high | 52 Ų | 52 | 69 Ų | 69 | 27% | 0.272 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70.4 | -34.6 | 178.4 | -70.8 | 176.2 | 0 | 0 | 0 | 112.2 | H11 H12 T14 L20 R21 | H11-L17 HydrophobicContact CB-CB 4.41Å; H11-L17 HydrophobicContact CB-CD2 4.39Å; H12-L17 VanDerWaalsContact O-CD1 3.24Å; H12-L17 WeakPolarHBondContact O-CD1 3.44Å; T14-L17 HydrophobicContact CG2-CD1 4.47Å; T14-L17 PolarHBondContact O-N 3.22Å; T14-L17 WeakPolarHBondContact OG1-CB 3.22Å; T14-L17 VanDerWaalsContact OG1-CG 3.28Å; T14-L17 WeakPolarHBondContact OG1-CG 3.41Å; T14-L17 PolarHBondContact OG1-N 2.95Å; L17-L20 HydrophobicContact CD2-CD2 4.47Å; L17-L20 PolarHBondContact O-N 3.5Å; L17-R21 VanDerWaalsContact O-CB 3.22Å; L17-R21 WeakPolarHBondContact O-CB 3.48Å; L17-R21 PolarHBondContact O-N 3.12Å |
| 18 | Q | 96.8 | Very high | 97.3 | Very high | 119 Ų | 119 | 66.3 Ų | 66.3 | 56% | 0.556 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.8 | -45.2 | 173.3 | -74 | 169.8 | -14.3 | 0 | 0 | 111.6 | T14 A15 R21 Q22 | T14-Q18 VanDerWaalsContact O-CG 3.3Å; T14-Q18 WeakPolarHBondContact O-CG 3.24Å; T14-Q18 PolarHBondContact O-N 3.19Å; A15-Q18 PolarHBondContact O-N 3.06Å; Q18-R21 PolarHBondContact O-N 3.24Å; Q18-Q22 PolarHBondContact O-N 3.3Å |
| 19 | A | 97.9 | Very high | 97.3 | Very high | 59 Ų | 59 | 67.1 Ų | 67.1 | 49% | 0.488 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | A15 Q16 K23 | A15-A19 PolarHBondContact O-N 3.07Å; Q16-A19 PolarHBondContact O-N 3.06Å; A19-K23 WeakPolarHBondContact O-CG 3.49Å; A19-K23 PolarHBondContact O-N 3.44Å |
| 20 | L | 98.6 | Very high | 97.4 | Very high | 70 Ų | 70 | 67 Ų | 67 | 37% | 0.366 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 174.2 | 178 | 59.7 | 0 | 0 | 0 | 111.4 | Q16 L17 Q22 K23 E24 | Q16-L20 PolarHBondContact O-N 3.49Å; L17-L20 HydrophobicContact CD2-CD2 4.47Å; L17-L20 PolarHBondContact O-N 3.5Å; L20-Q22 VanDerWaalsContact C-N 3.3Å; L20-Q22 PolarHBondContact O-N 3.32Å; L20-K23 WeakPolarHBondContact O-CB 3.37Å; L20-K23 PolarHBondContact O-N 3.11Å; L20-K23 VanDerWaalsContact O-N 3.13Å; L20-E24 HydrophobicContact CD1-CG 4.41Å; L20-E24 WeakPolarHBondContact O-CG 3.31Å; L20-E24 PolarHBondContact O-N 3.14Å; L20-E24 VanDerWaalsContact O-N 3.07Å |
| 21 | R | 98.4 | Very high | 97.5 | Very high | 77 Ų | 77 | 67.4 Ų | 67.4 | 29% | 0.291 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.1 | -43.4 | 179.4 | 178.1 | 172.3 | 155.4 | -160 | -7.3 | 111.7 | I8 H11 L17 Q18 K23 E24 V25 | I8-R21 HydrophobicContact CG2-CG 4.1Å; H11-R21 HydrophobicContact CB-CB 3.86Å; H11-R21 WeakPolarHBondContact O-CB 3.02Å; H11-R21 WeakPolarHBondContact O-CD 3.46Å; L17-R21 VanDerWaalsContact O-CB 3.22Å; L17-R21 WeakPolarHBondContact O-CB 3.48Å; L17-R21 PolarHBondContact O-N 3.12Å; Q18-R21 PolarHBondContact O-N 3.24Å; R21-K23 VanDerWaalsContact C-N 3.33Å; R21-K23 PolarHBondContact O-N 3.42Å; R21-E24 PolarHBondContact O-N 3.35Å; R21-V25 HydrophobicContact CG-CG2 4.21Å; R21-V25 WeakPolarHBondContact O-CG2 3.27Å; R21-V25 PolarHBondContact O-N 3.36Å |
| 22 | Q | 98.4 | Very high | 97.6 | Very high | 78 Ų | 78 | 66 Ų | 66 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 178.1 | -169.4 | 62.3 | 45.4 | 0 | 0 | 111.4 | Q18 L20 E24 V25 D26 E58 | Q18-Q22 PolarHBondContact O-N 3.3Å; L20-Q22 VanDerWaalsContact C-N 3.3Å; L20-Q22 PolarHBondContact O-N 3.32Å; Q22-E24 VanDerWaalsContact C-N 3.27Å; Q22-E24 PolarHBondContact O-N 2.86Å; Q22-V25 WeakPolarHBondContact O-CB 3.44Å; Q22-V25 PolarHBondContact O-N 3.41Å; Q22-V25 VanDerWaalsContact O-N 3.17Å; Q22-D26 PolarHBondContact NE2-OD1 3.29Å; Q22-D26 PolarHBondContact O-N 2.94Å; Q22-E58 PolarHBondContact NE2-OE1 2.74Å |
| 23 | K | 98.7 | Very high | 97.9 | Very high | 150 Ų | 150 | 65.7 Ų | 65.7 | 65% | 0.652 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.9 | -38.1 | 176.9 | -64.9 | 175.5 | 68 | 177.3 | 0 | 112.5 | A19 L20 R21 F27 | A19-K23 WeakPolarHBondContact O-CG 3.49Å; A19-K23 PolarHBondContact O-N 3.44Å; L20-K23 WeakPolarHBondContact O-CB 3.37Å; L20-K23 PolarHBondContact O-N 3.11Å; L20-K23 VanDerWaalsContact O-N 3.13Å; R21-K23 VanDerWaalsContact C-N 3.33Å; R21-K23 PolarHBondContact O-N 3.42Å; K23-F27 VanDerWaalsContact O-CB 3.25Å; K23-F27 WeakPolarHBondContact O-CB 3.25Å; K23-F27 PolarHBondContact O-N 3.41Å |
| 24 | E | 98.8 | Very high | 98.1 | Very high | 10 Ų | 10 | 68.9 Ų | 68.9 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -71.3 | -37.6 | 177.1 | -65.4 | 176.7 | 143.7 | 0 | 0 | 112.8 | Y4 I8 H11 L20 R21 Q22 C28 | Y4-E24 HydrophobicContact CD1-CB 4.43Å; Y4-E24 HydrophobicContact CD1-CG 3.75Å; Y4-E24 WeakPolarHBondContact CD1-OE1 3.21Å; Y4-E24 HydrophobicContact CE1-CG 4.35Å; I8-E24 HydrophobicContact CD1-CB 3.98Å; I8-E24 HydrophobicContact CG1-CB 3.62Å; H11-E24 IonicContact CE1-OE1 2.77Å; H11-E24 PolarHBondContact CE1-OE1 2.85Å; H11-E24 IonicContact CE1-OE2 3.06Å; H11-E24 PolarHBondContact CE1-OE2 2.9Å; H11-E24 IonicContact CG-OE2 3.54Å; H11-E24 IonicContact ND1-OE1 3.11Å; H11-E24 PolarHBondContact ND1-OE1 2.88Å; H11-E24 VanDerWaalsContact ND1-OE1 3.15Å; H11-E24 IonicContact ND1-OE2 2.73Å; H11-E24 PolarHBondContact ND1-OE2 3.37Å; L20-E24 HydrophobicContact CD1-CG 4.41Å; L20-E24 WeakPolarHBondContact O-CG 3.31Å; L20-E24 PolarHBondContact O-N 3.14Å; L20-E24 VanDerWaalsContact O-N 3.07Å; R21-E24 PolarHBondContact O-N 3.35Å; Q22-E24 VanDerWaalsContact C-N 3.27Å; Q22-E24 PolarHBondContact O-N 2.86Å; E24-C28 WeakPolarHBondContact O-CB 3.45Å; E24-C28 PolarHBondContact O-N 2.69Å; E24-C28 PolarHBondContact O-SG 3.02Å |
| 25 | V | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.8 | -55.8 | 172.8 | 170.6 | 0 | 0 | 0 | 0 | 109.1 | I8 R21 Q22 F27 C28 I29 I56 E58 F59 | I8-V25 HydrophobicContact CD1-CG2 3.98Å; I8-V25 HydrophobicContact CG1-CG2 4.4Å; I8-V25 HydrophobicContact CG2-CG2 4.3Å; R21-V25 HydrophobicContact CG-CG2 4.21Å; R21-V25 WeakPolarHBondContact O-CG2 3.27Å; R21-V25 PolarHBondContact O-N 3.36Å; Q22-V25 WeakPolarHBondContact O-CB 3.44Å; Q22-V25 PolarHBondContact O-N 3.41Å; Q22-V25 VanDerWaalsContact O-N 3.17Å; V25-F27 VanDerWaalsContact C-N 3.3Å; V25-F27 PolarHBondContact O-N 3.09Å; V25-C28 PolarHBondContact O-N 2.9Å; V25-C28 VanDerWaalsContact O-N 3.12Å; V25-I29 HydrophobicContact CG1-CG1 4.15Å; V25-I29 WeakPolarHBondContact O-CB 3.48Å; V25-I29 VanDerWaalsContact O-CG1 3.26Å; V25-I29 WeakPolarHBondContact O-CG1 3.32Å; V25-I29 PolarHBondContact O-N 3.07Å; V25-I56 HydrophobicContact CG1-CG2 4.22Å; V25-I56 HydrophobicContact CG2-CD1 4.19Å; V25-I56 HydrophobicContact CG2-CG2 4.13Å; V25-E58 HydrophobicContact CG1-CB 3.83Å; V25-E58 HydrophobicContact CG1-CG 3.91Å; V25-F59 HydrophobicContact CB-CE2 4.41Å; V25-F59 HydrophobicContact CG1-CE2 4.13Å; V25-F59 HydrophobicContact CG2-CE2 4.02Å |
| 26 | D | 98.8 | Very high | 98.3 | Very high | 83 Ų | 83 | 68.7 Ų | 68.7 | 44% | 0.444 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57 | -45.7 | -178.6 | -61.3 | -21 | 0 | 0 | 0 | 111.1 | Q22 C28 I29 S30 | Q22-D26 PolarHBondContact NE2-OD1 3.29Å; Q22-D26 PolarHBondContact O-N 2.94Å; D26-C28 PolarHBondContact O-N 3.33Å; D26-I29 PolarHBondContact O-N 3.13Å; D26-S30 WeakPolarHBondContact O-CB 3.26Å; D26-S30 PolarHBondContact O-N 3.43Å |
| 27 | F | 98.8 | Very high | 98.3 | Very high | 94 Ų | 94 | 63.2 Ų | 63.2 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 176.9 | 174 | -102.4 | 0 | 0 | 0 | 112.7 | Y4 K23 V25 L31 | Y4-F27 AromaticContact CD2-CD1 3.86Å; Y4-F27 HydrophobicContact CD2-CD1 3.86Å; Y4-F27 AromaticContact CD2-CE1 3.52Å; Y4-F27 HydrophobicContact CD2-CE1 3.52Å; Y4-F27 HydrophobicContact CE2-CD1 4.35Å; Y4-F27 AromaticContact CE2-CE1 3.88Å; Y4-F27 HydrophobicContact CE2-CE1 3.88Å; Y4-F27 HydrophobicContact CG-CD1 4.28Å; Y4-F27 HydrophobicContact CG-CE1 4.37Å; K23-F27 VanDerWaalsContact O-CB 3.25Å; K23-F27 WeakPolarHBondContact O-CB 3.25Å; K23-F27 PolarHBondContact O-N 3.41Å; V25-F27 VanDerWaalsContact C-N 3.3Å; V25-F27 PolarHBondContact O-N 3.09Å; F27-L31 HydrophobicContact CD1-CD1 4.33Å; F27-L31 HydrophobicContact CD2-CD1 4.4Å; F27-L31 HydrophobicContact CE1-CD1 3.65Å; F27-L31 HydrophobicContact CE2-CD1 3.75Å; F27-L31 HydrophobicContact CE2-CG 4.39Å; F27-L31 HydrophobicContact CZ-CD1 3.34Å; F27-L31 HydrophobicContact CZ-CG 4.41Å; F27-L31 WeakPolarHBondContact O-CG 3.43Å; F27-L31 PolarHBondContact O-N 2.89Å |
| 28 | C | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 179.8 | -71.3 | 0 | 0 | 0 | 0 | 111.8 | Y4 L5 E24 V25 D26 L31 L32 F59 | Y4-C28 WeakPolarHBondContact CB-SG 3.46Å; L5-C28 HydrophobicContact CD2-CB 3.89Å; L5-C28 HydrophobicContact CG-CB 4.31Å; E24-C28 WeakPolarHBondContact O-CB 3.45Å; E24-C28 PolarHBondContact O-N 2.69Å; E24-C28 PolarHBondContact O-SG 3.02Å; V25-C28 PolarHBondContact O-N 2.9Å; V25-C28 VanDerWaalsContact O-N 3.12Å; D26-C28 PolarHBondContact O-N 3.33Å; C28-L31 PolarHBondContact O-N 3.12Å; C28-L32 HydrophobicContact CB-CD1 4.44Å; C28-L32 VanDerWaalsContact O-CB 3.28Å; C28-L32 WeakPolarHBondContact O-CB 3.17Å; C28-L32 WeakPolarHBondContact O-CD1 3.34Å; C28-L32 WeakPolarHBondContact O-CG 3.29Å; C28-L32 PolarHBondContact O-N 3.35Å; C28-F59 HydrophobicContact CB-CZ 4.08Å |
| 29 | I | 98.8 | Very high | 98.3 | Very high | 20 Ų | 20 | 59.7 Ų | 59.7 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.6 | -45.7 | 179.7 | -68.6 | -71.8 | 0 | 0 | 0 | 110.9 | V25 D26 L31 L32 R33 E58 F59 L62 | V25-I29 HydrophobicContact CG1-CG1 4.15Å; V25-I29 WeakPolarHBondContact O-CB 3.48Å; V25-I29 VanDerWaalsContact O-CG1 3.26Å; V25-I29 WeakPolarHBondContact O-CG1 3.32Å; V25-I29 PolarHBondContact O-N 3.07Å; D26-I29 PolarHBondContact O-N 3.13Å; I29-L31 PolarHBondContact O-N 3.2Å; I29-L32 PolarHBondContact O-N 3.13Å; I29-R33 HydrophobicContact CG2-CG 4.36Å; I29-R33 WeakPolarHBondContact O-CB 3.33Å; I29-R33 VanDerWaalsContact O-CG 3.32Å; I29-R33 WeakPolarHBondContact O-CG 3.28Å; I29-R33 PolarHBondContact O-N 3.48Å; I29-E58 HydrophobicContact CD1-CB 3.96Å; I29-E58 WeakPolarHBondContact CD1-O 3.48Å; I29-E58 HydrophobicContact CG1-CB 3.84Å; I29-F59 HydrophobicContact CD1-CD1 3.64Å; I29-F59 HydrophobicContact CD1-CE1 3.63Å; I29-F59 HydrophobicContact CD1-CG 4.2Å; I29-F59 HydrophobicContact CD1-CZ 4.21Å; I29-F59 HydrophobicContact CG1-CE1 4.18Å; I29-F59 HydrophobicContact CG1-CZ 4.3Å; I29-L62 HydrophobicContact CD1-CB 4.13Å; I29-L62 HydrophobicContact CD1-CD2 4.05Å |
| 30 | S | 98.6 | Very high | 98.3 | Very high | 47 Ų | 47 | 57.8 Ų | 57.8 | 33% | 0.329 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -55.9 | -51.8 | 174.8 | 161.2 | 0 | 0 | 0 | 0 | 110.8 | D26 L32 R33 E34 | D26-S30 WeakPolarHBondContact O-CB 3.26Å; D26-S30 PolarHBondContact O-N 3.43Å; S30-L32 PolarHBondContact O-N 2.86Å; S30-R33 PolarHBondContact O-N 3.08Å; S30-E34 WeakPolarHBondContact O-CB 3.42Å; S30-E34 WeakPolarHBondContact O-CG 3.49Å; S30-E34 PolarHBondContact O-N 3.29Å; S30-E34 PolarHBondContact OG-OE1 3.13Å |
| 31 | L | 98.6 | Very high | 98.2 | Very high | 49 Ų | 49 | 60.3 Ų | 60.3 | 26% | 0.257 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 179.1 | -70.4 | -179.5 | 0 | 0 | 0 | 113.6 | V1 F27 C28 I29 R33 R35 | V1-L31 HydrophobicContact CG2-CB 3.52Å; V1-L31 HydrophobicContact CG2-CD1 3.64Å; V1-L31 HydrophobicContact CG2-CG 4.26Å; F27-L31 HydrophobicContact CD1-CD1 4.33Å; F27-L31 HydrophobicContact CD2-CD1 4.4Å; F27-L31 HydrophobicContact CE1-CD1 3.65Å; F27-L31 HydrophobicContact CE2-CD1 3.75Å; F27-L31 HydrophobicContact CE2-CG 4.39Å; F27-L31 HydrophobicContact CZ-CD1 3.34Å; F27-L31 HydrophobicContact CZ-CG 4.41Å; F27-L31 WeakPolarHBondContact O-CG 3.43Å; F27-L31 PolarHBondContact O-N 2.89Å; C28-L31 PolarHBondContact O-N 3.12Å; I29-L31 PolarHBondContact O-N 3.2Å; L31-R33 VanDerWaalsContact C-N 3.31Å; L31-R33 PolarHBondContact O-N 3.35Å; L31-R35 CarbonylContact O-C 3.32Å; L31-R35 VanDerWaalsContact O-C 3.32Å; L31-R35 VanDerWaalsContact O-CA 3.3Å; L31-R35 WeakPolarHBondContact O-CA 3.21Å; L31-R35 WeakPolarHBondContact O-CB 3.3Å; L31-R35 PolarHBondContact O-N 2.96Å |
| 32 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67 | -33.9 | 177.7 | -76.7 | 160.4 | 0 | 0 | 0 | 111.5 | V1 L5 C28 I29 S30 F36 C39 L46 L50 F59 L62 | V1-L32 HydrophobicContact CG1-CD1 4.23Å; V1-L32 HydrophobicContact CG1-CD2 4.02Å; V1-L32 HydrophobicContact CG1-CG 4.03Å; L5-L32 HydrophobicContact CD1-CD1 4.32Å; L5-L32 HydrophobicContact CD2-CD1 4.31Å; C28-L32 HydrophobicContact CB-CD1 4.44Å; C28-L32 VanDerWaalsContact O-CB 3.28Å; C28-L32 WeakPolarHBondContact O-CB 3.17Å; C28-L32 WeakPolarHBondContact O-CD1 3.34Å; C28-L32 WeakPolarHBondContact O-CG 3.29Å; C28-L32 PolarHBondContact O-N 3.35Å; I29-L32 PolarHBondContact O-N 3.13Å; S30-L32 PolarHBondContact O-N 2.86Å; L32-F36 HydrophobicContact CD2-CD2 4.44Å; L32-F36 WeakPolarHBondContact O-CA 3.35Å; L32-F36 VanDerWaalsContact O-CB 3.25Å; L32-F36 WeakPolarHBondContact O-CB 3.32Å; L32-F36 VanDerWaalsContact O-CD2 3.24Å; L32-F36 WeakPolarHBondContact O-CD2 3.28Å; L32-C39 HydrophobicContact CD2-CB 3.85Å; L32-L46 HydrophobicContact CD2-CD1 4.38Å; L32-L46 HydrophobicContact CD2-CD2 4.44Å; L32-L50 HydrophobicContact CD1-CD2 3.98Å; L32-F59 HydrophobicContact CD1-CE1 4.07Å; L32-L62 HydrophobicContact CB-CD2 4.07Å; L32-L62 HydrophobicContact CD1-CD2 3.62Å; L32-L62 HydrophobicContact CG-CD2 4.34Å |
| 33 | R | 98.2 | Very high | 98.2 | Very high | 91 Ų | 91 | 53.2 Ų | 53.2 | 34% | 0.343 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -82 | -38.9 | 179.5 | -69.9 | -178.1 | 173.7 | -71.8 | -3.7 | 112.8 | I29 S30 L31 L62 D65 L73 | I29-R33 HydrophobicContact CG2-CG 4.36Å; I29-R33 WeakPolarHBondContact O-CB 3.33Å; I29-R33 VanDerWaalsContact O-CG 3.32Å; I29-R33 WeakPolarHBondContact O-CG 3.28Å; I29-R33 PolarHBondContact O-N 3.48Å; S30-R33 PolarHBondContact O-N 3.08Å; L31-R33 VanDerWaalsContact C-N 3.31Å; L31-R33 PolarHBondContact O-N 3.35Å; R33-L62 HydrophobicContact CG-CD1 4.38Å; R33-D65 IonicContact CZ-OD2 3.15Å; R33-D65 VanDerWaalsContact CZ-OD2 3.24Å; R33-D65 IonicContact NH1-OD2 3.33Å; R33-D65 PolarHBondContact NH1-OD2 2.95Å; R33-D65 IonicContact NH2-OD2 3.49Å; R33-D65 PolarHBondContact NH2-OD2 3.41Å; R33-L73 HydrophobicContact CG-CD2 4.49Å |
| 34 | E | 97.9 | Very high | 98.2 | Very high | 135 Ų | 135 | 46.1 Ų | 46.1 | 63% | 0.631 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -86.2 | -29.8 | -176.3 | -66.6 | 169.6 | -144.8 | 0 | 0 | 113.1 | S30 | S30-E34 WeakPolarHBondContact O-CB 3.42Å; S30-E34 WeakPolarHBondContact O-CG 3.49Å; S30-E34 PolarHBondContact O-N 3.29Å; S30-E34 PolarHBondContact OG-OE1 3.13Å |
| 35 | R | 97.7 | Very high | 98.1 | Very high | 140 Ų | 140 | 45.7 Ų | 45.7 | 53% | 0.528 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -134.7 | 46 | -169.6 | -60.4 | -65.5 | -176.8 | 157 | -2.9 | 111.5 | L31 M37 E38 C39 | L31-R35 CarbonylContact O-C 3.32Å; L31-R35 VanDerWaalsContact O-C 3.32Å; L31-R35 VanDerWaalsContact O-CA 3.3Å; L31-R35 WeakPolarHBondContact O-CA 3.21Å; L31-R35 WeakPolarHBondContact O-CB 3.3Å; L31-R35 PolarHBondContact O-N 2.96Å; R35-M37 VanDerWaalsContact C-N 3.32Å; R35-M37 PolarHBondContact O-N 3.31Å; R35-E38 VanDerWaalsContact C-OE2 3.29Å; R35-E38 VanDerWaalsContact CA-OE2 3.31Å; R35-E38 WeakPolarHBondContact CA-OE2 3.42Å; R35-E38 HydrophobicContact CB-CB 4.35Å; R35-E38 WeakPolarHBondContact CB-OE2 3.19Å; R35-E38 VanDerWaalsContact CD-OE1 3.31Å; R35-E38 WeakPolarHBondContact CD-OE1 3.18Å; R35-E38 IonicContact CZ-OE1 2.97Å; R35-E38 IonicContact NH1-OE1 3.44Å; R35-E38 PolarHBondContact NH1-OE1 3.23Å; R35-E38 PolarHBondContact O-N 2.89Å; R35-C39 PolarHBondContact O-N 3.49Å; R35-C39 VanDerWaalsContact O-N 3.11Å; R35-C39 PolarHBondContact O-SG 2.98Å |
| 36 | F | 97.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.4 | -39.2 | -173.6 | -167.6 | -102.7 | 0 | 0 | 0 | 112.6 | L32 E38 C39 L40 L73 F77 L83 | L32-F36 HydrophobicContact CD2-CD2 4.44Å; L32-F36 WeakPolarHBondContact O-CA 3.35Å; L32-F36 VanDerWaalsContact O-CB 3.25Å; L32-F36 WeakPolarHBondContact O-CB 3.32Å; L32-F36 VanDerWaalsContact O-CD2 3.24Å; L32-F36 WeakPolarHBondContact O-CD2 3.28Å; F36-E38 PolarHBondContact O-N 3.47Å; F36-C39 CarbonylContact O-C 3.59Å; F36-C39 WeakPolarHBondContact O-CA 3.47Å; F36-C39 WeakPolarHBondContact O-CB 3.32Å; F36-C39 PolarHBondContact O-N 2.86Å; F36-C39 VanDerWaalsContact O-N 3.09Å; F36-L40 HydrophobicContact CD1-CD1 4.49Å; F36-L40 HydrophobicContact CE1-CD1 4.06Å; F36-L40 WeakPolarHBondContact O-CB 3.39Å; F36-L40 PolarHBondContact O-N 3.33Å; F36-L73 HydrophobicContact CB-CB 4.11Å; F36-L73 WeakPolarHBondContact CB-O 3.47Å; F36-L73 HydrophobicContact CD1-CB 4.03Å; F36-L73 HydrophobicContact CD2-CB 4.04Å; F36-L73 HydrophobicContact CD2-CD1 4.03Å; F36-L73 HydrophobicContact CD2-CG 4.46Å; F36-L73 HydrophobicContact CE1-CB 4.49Å; F36-L73 HydrophobicContact CE1-CD1 4.48Å; F36-L73 HydrophobicContact CE2-CB 4.49Å; F36-L73 HydrophobicContact CE2-CD1 3.73Å; F36-L73 HydrophobicContact CG-CB 3.78Å; F36-L73 HydrophobicContact CZ-CD1 3.98Å; F36-F77 HydrophobicContact CD1-CB 4.16Å; F36-F77 HydrophobicContact CD1-CD1 4.17Å; F36-F77 HydrophobicContact CD1-CD2 4.49Å; F36-F77 HydrophobicContact CD1-CG 4.05Å; F36-F77 HydrophobicContact CE1-CB 4.02Å; F36-F77 AromaticContact CE1-CD1 3.41Å; F36-F77 HydrophobicContact CE1-CD1 3.41Å; F36-F77 VanDerWaalsContact CE1-CD1 3.41Å; F36-F77 AromaticContact CE1-CD2 3.61Å; F36-F77 HydrophobicContact CE1-CD2 3.61Å; F36-F77 AromaticContact CE1-CE1 3.66Å; F36-F77 HydrophobicContact CE1-CE1 3.66Å; F36-F77 AromaticContact CE1-CE2 3.82Å; F36-F77 HydrophobicContact CE1-CE2 3.82Å; F36-F77 AromaticContact CE1-CG 3.4Å; F36-F77 HydrophobicContact CE1-CG 3.4Å; F36-F77 VanDerWaalsContact CE1-CG 3.4Å; F36-F77 AromaticContact CE1-CZ 3.86Å; F36-F77 HydrophobicContact CE1-CZ 3.86Å; F36-F77 AromaticContact CZ-CD1 3.92Å; F36-F77 HydrophobicContact CZ-CD1 3.92Å; F36-F77 HydrophobicContact CZ-CD2 4.42Å; F36-F77 AromaticContact CZ-CE1 3.71Å; F36-F77 HydrophobicContact CZ-CE1 3.71Å; F36-F77 HydrophobicContact CZ-CE2 4.21Å; F36-F77 HydrophobicContact CZ-CG 4.3Å; F36-F77 AromaticContact CZ-CZ 3.85Å; F36-F77 HydrophobicContact CZ-CZ 3.85Å; F36-L83 HydrophobicContact CZ-CD1 4.13Å |
| 37 | M | 97.1 | Very high | 98.1 | Very high | 51 Ų | 51 | 42 Ų | 42 | 25% | 0.251 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68 | -35.9 | -179.4 | -66.7 | -51.9 | -62.1 | 0 | 0 | 112.4 | R35 C39 L40 S74 Q76 | R35-M37 VanDerWaalsContact C-N 3.32Å; R35-M37 PolarHBondContact O-N 3.31Å; M37-C39 VanDerWaalsContact C-N 3.27Å; M37-C39 PolarHBondContact O-N 3.14Å; M37-L40 HydrophobicContact CE-CD1 4.28Å; M37-L40 HydrophobicContact CE-CD2 4.46Å; M37-L40 WeakPolarHBondContact O-CB 3.21Å; M37-L40 PolarHBondContact O-N 2.91Å; M37-L40 HydrophobicContact SD-CD1 4.2Å; M37-S74 WeakPolarHBondContact CG-OG 2.97Å; M37-S74 PolarHBondContact SD-OG 3.2Å; M37-Q76 HydrophobicContact CE-CB 3.91Å; M37-Q76 HydrophobicContact SD-CB 3.92Å |
| 38 | E | 97.7 | Very high | 98.1 | Very high | 88 Ų | 88 | 37.8 Ų | 37.8 | 41% | 0.411 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -67.6 | -29.8 | 172.3 | -63.2 | 90 | 151.2 | 0 | 0 | 111.6 | R35 F36 M41 | R35-E38 VanDerWaalsContact C-OE2 3.29Å; R35-E38 VanDerWaalsContact CA-OE2 3.31Å; R35-E38 WeakPolarHBondContact CA-OE2 3.42Å; R35-E38 HydrophobicContact CB-CB 4.35Å; R35-E38 WeakPolarHBondContact CB-OE2 3.19Å; R35-E38 VanDerWaalsContact CD-OE1 3.31Å; R35-E38 WeakPolarHBondContact CD-OE1 3.18Å; R35-E38 IonicContact CZ-OE1 2.97Å; R35-E38 IonicContact NH1-OE1 3.44Å; R35-E38 PolarHBondContact NH1-OE1 3.23Å; R35-E38 PolarHBondContact O-N 2.89Å; F36-E38 PolarHBondContact O-N 3.47Å; E38-M41 WeakPolarHBondContact O-CG 3.48Å |
| 39 | C | 98.1 | Very high | 98.1 | Very high | 9 Ų | 9 | 37.8 Ų | 37.8 | 6% | 0.061 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -75.4 | -33.4 | 171.8 | -61.4 | 0 | 0 | 0 | 0 | 112.1 | L32 R35 F36 M37 M41 I42 L46 | L32-C39 HydrophobicContact CD2-CB 3.85Å; R35-C39 PolarHBondContact O-N 3.49Å; R35-C39 VanDerWaalsContact O-N 3.11Å; R35-C39 PolarHBondContact O-SG 2.98Å; F36-C39 CarbonylContact O-C 3.59Å; F36-C39 WeakPolarHBondContact O-CA 3.47Å; F36-C39 WeakPolarHBondContact O-CB 3.32Å; F36-C39 PolarHBondContact O-N 2.86Å; F36-C39 VanDerWaalsContact O-N 3.09Å; M37-C39 VanDerWaalsContact C-N 3.27Å; M37-C39 PolarHBondContact O-N 3.14Å; C39-M41 PolarHBondContact O-N 3.18Å; C39-M41 VanDerWaalsContact O-N 3.16Å; C39-I42 VanDerWaalsContact O-CB 3.26Å; C39-I42 WeakPolarHBondContact O-CB 3.33Å; C39-I42 WeakPolarHBondContact O-CD1 3.48Å; C39-I42 VanDerWaalsContact O-CG1 3.28Å; C39-I42 WeakPolarHBondContact O-CG1 3.42Å; C39-I42 PolarHBondContact O-N 2.62Å; C39-L46 HydrophobicContact CB-CD2 4.32Å |
| 40 | L | 96.6 | Very high | 98.1 | Very high | 18 Ų | 18 | 36.9 Ų | 36.9 | 9% | 0.094 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -25.3 | -177.4 | -169.1 | 145.1 | 0 | 0 | 0 | 112.8 | F36 M37 I42 G43 F77 L83 | F36-L40 HydrophobicContact CD1-CD1 4.49Å; F36-L40 HydrophobicContact CE1-CD1 4.06Å; F36-L40 WeakPolarHBondContact O-CB 3.39Å; F36-L40 PolarHBondContact O-N 3.33Å; M37-L40 HydrophobicContact CE-CD1 4.28Å; M37-L40 HydrophobicContact CE-CD2 4.46Å; M37-L40 WeakPolarHBondContact O-CB 3.21Å; M37-L40 PolarHBondContact O-N 2.91Å; M37-L40 HydrophobicContact SD-CD1 4.2Å; L40-I42 PolarHBondContact O-N 3.48Å; L40-I42 VanDerWaalsContact O-N 3.08Å; L40-G43 PolarHBondContact O-N 2.92Å; L40-F77 HydrophobicContact CD1-CD2 3.6Å; L40-F77 HydrophobicContact CD1-CE2 4.04Å; L40-F77 HydrophobicContact CD1-CG 4.5Å; L40-L83 HydrophobicContact CB-CD2 4.4Å; L40-L83 HydrophobicContact CD1-CD2 4.4Å; L40-L83 HydrophobicContact CD1-CG 4.27Å; L40-L83 HydrophobicContact CG-CD2 3.78Å; L40-L83 HydrophobicContact CG-CG 4.18Å |
| 41 | M | 96.8 | Very high | 98 | Very high | 124 Ų | 124 | 37.3 Ų | 37.3 | 61% | 0.611 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -15 | 174.2 | 80.9 | -179.1 | 43.1 | 0 | 0 | 114.1 | E38 C39 G43 F92 | E38-M41 WeakPolarHBondContact O-CG 3.48Å; C39-M41 PolarHBondContact O-N 3.18Å; C39-M41 VanDerWaalsContact O-N 3.16Å; M41-G43 PolarHBondContact O-N 3.32Å; M41-F92 HydrophobicContact CG-CE2 4.42Å; M41-F92 HydrophobicContact CG-CZ 4.1Å |
| 42 | I | 98.4 | Very high | 97.9 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -34.5 | 170.2 | -68.2 | 163.9 | 0 | 0 | 0 | 110.5 | V1 Y2 C39 L40 L46 T88 F92 | V1-I42 HydrophobicContact CG1-CD1 4.49Å; Y2-I42 HydrophobicContact CD2-CB 4.4Å; Y2-I42 HydrophobicContact CD2-CD1 4.02Å; Y2-I42 HydrophobicContact CD2-CG1 4.12Å; Y2-I42 HydrophobicContact CD2-CG2 3.37Å; Y2-I42 HydrophobicContact CE2-CG2 3.53Å; C39-I42 VanDerWaalsContact O-CB 3.26Å; C39-I42 WeakPolarHBondContact O-CB 3.33Å; C39-I42 WeakPolarHBondContact O-CD1 3.48Å; C39-I42 VanDerWaalsContact O-CG1 3.28Å; C39-I42 WeakPolarHBondContact O-CG1 3.42Å; C39-I42 PolarHBondContact O-N 2.62Å; L40-I42 PolarHBondContact O-N 3.48Å; L40-I42 VanDerWaalsContact O-N 3.08Å; I42-L46 HydrophobicContact CB-CB 4.02Å; I42-L46 HydrophobicContact CD1-CD1 4.05Å; I42-L46 HydrophobicContact CG2-CB 3.68Å; I42-T88 WeakPolarHBondContact O-CA 3.32Å; I42-T88 WeakPolarHBondContact O-CB 3.32Å; I42-T88 VanDerWaalsContact O-CG2 3.28Å; I42-T88 WeakPolarHBondContact O-CG2 3.29Å; I42-T88 PolarHBondContact O-OG1 3.42Å; I42-F92 HydrophobicContact CB-CD2 4.47Å; I42-F92 HydrophobicContact CB-CE2 4.35Å; I42-F92 HydrophobicContact CG1-CD1 4.09Å; I42-F92 HydrophobicContact CG1-CD2 4.34Å; I42-F92 HydrophobicContact CG1-CE1 3.74Å; I42-F92 HydrophobicContact CG1-CE2 4.02Å; I42-F92 HydrophobicContact CG1-CG 4.38Å; I42-F92 HydrophobicContact CG1-CZ 3.7Å |
| 43 | G | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | 74.4 | -154.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L40 M41 D45 L46 S86 | L40-G43 PolarHBondContact O-N 2.92Å; M41-G43 PolarHBondContact O-N 3.32Å; G43-D45 VanDerWaalsContact C-N 3.31Å; G43-D45 PolarHBondContact O-N 2.59Å; G43-D45 VanDerWaalsContact O-N 3.16Å; G43-L46 WeakPolarHBondContact O-CB 3.27Å; G43-L46 PolarHBondContact O-N 3.21Å; G43-S86 CarbonylContact C-O 3.58Å; G43-S86 WeakPolarHBondContact CA-O 3.39Å | ||
| 44 | R | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.7 | -35.3 | -168.2 | 65.7 | 178.2 | 64.5 | 142.6 | -2.3 | 115 | L46 V47 R48 L83 L84 S86 T88 Y189 D190 D199 | R44-L46 PolarHBondContact O-N 3.19Å; R44-L46 VanDerWaalsContact O-N 3.16Å; R44-V47 VanDerWaalsContact O-CB 3.27Å; R44-V47 WeakPolarHBondContact O-CB 3.46Å; R44-V47 PolarHBondContact O-N 2.98Å; R44-R48 PolarHBondContact O-N 3.3Å; R44-L83 WeakPolarHBondContact CA-O 3.32Å; R44-L83 PolarHBondContact N-O 3.42Å; R44-L83 VanDerWaalsContact N-O 3.17Å; R44-L84 PolarHBondContact NE-O 3.44Å; R44-S86 WeakPolarHBondContact CB-O 3.35Å; R44-S86 PolarHBondContact N-O 3.49Å; R44-T88 PolarHBondContact N-OG1 2.76Å; R44-Y189 HydrophobicContact CB-CE1 4.25Å; R44-Y189 HydrophobicContact CG-CD1 4.29Å; R44-Y189 HydrophobicContact CG-CE1 4.39Å; R44-Y189 WeakPolarHBondContact O-CE1 3.33Å; R44-D190 WeakPolarHBondContact CD-OD1 3.18Å; R44-D190 IonicContact CZ-OD1 3.8Å; R44-D190 IonicContact NH1-OD1 3.69Å; R44-D190 PolarHBondContact NH1-OD1 3.03Å; R44-D199 IonicContact CZ-OD1 2.73Å; R44-D199 VanDerWaalsContact CZ-OD1 3.3Å; R44-D199 IonicContact CZ-OD2 2.82Å; R44-D199 IonicContact NH1-OD1 3.85Å; R44-D199 PolarHBondContact NH1-OD1 3.26Å; R44-D199 IonicContact NH1-OD2 3.24Å; R44-D199 IonicContact NH2-OD1 3.62Å; R44-D199 PolarHBondContact NH2-OD1 3.33Å; R44-D199 IonicContact NH2-OD2 2.7Å; R44-D199 PolarHBondContact NH2-OD2 3.36Å; R44-D199 VanDerWaalsContact NH2-OD2 3.12Å |
| 45 | D | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.4 | -15.2 | 177.4 | -85.2 | -102 | 0 | 0 | 0 | 112.8 | Y2 G43 V47 R48 L49 T88 R143 | Y2-D45 HydrophobicContact CE2-CB 4.01Å; G43-D45 VanDerWaalsContact C-N 3.31Å; G43-D45 PolarHBondContact O-N 2.59Å; G43-D45 VanDerWaalsContact O-N 3.16Å; D45-V47 VanDerWaalsContact C-N 3.29Å; D45-R48 WeakPolarHBondContact O-CB 3.27Å; D45-R48 PolarHBondContact O-N 3.2Å; D45-R48 IonicContact OD1-CZ 2.72Å; D45-R48 IonicContact OD1-NE 3.71Å; D45-R48 PolarHBondContact OD1-NE 3.05Å; D45-R48 IonicContact OD1-NH2 3.65Å; D45-R48 PolarHBondContact OD1-NH2 3.18Å; D45-R48 VanDerWaalsContact OD1-NH2 3.14Å; D45-L49 WeakPolarHBondContact O-CG 3.45Å; D45-L49 PolarHBondContact O-N 2.91Å; D45-T88 HydrophobicContact CB-CG2 3.93Å; D45-T88 WeakPolarHBondContact CB-OG1 3.37Å; D45-T88 PolarHBondContact N-OG1 3.32Å; D45-R143 IonicContact OD1-NE 2.83Å; D45-R143 PolarHBondContact OD1-NE 3.35Å; D45-R143 VanDerWaalsContact OD1-NE 3.11Å; D45-R143 IonicContact OD2-CZ 3.24Å; D45-R143 IonicContact OD2-NE 3.99Å; D45-R143 PolarHBondContact OD2-NE 3.43Å; D45-R143 IonicContact OD2-NH2 2.69Å; D45-R143 PolarHBondContact OD2-NH2 3.02Å |
| 46 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61 | -43.5 | 168.2 | -179.4 | 56.6 | 0 | 0 | 0 | 110.5 | V1 L5 L32 C39 I42 G43 R44 R48 L49 L50 L83 | V1-L46 HydrophobicContact CG1-CD1 4.42Å; L5-L46 HydrophobicContact CD1-CD1 3.6Å; L32-L46 HydrophobicContact CD2-CD1 4.38Å; L32-L46 HydrophobicContact CD2-CD2 4.44Å; C39-L46 HydrophobicContact CB-CD2 4.32Å; I42-L46 HydrophobicContact CB-CB 4.02Å; I42-L46 HydrophobicContact CD1-CD1 4.05Å; I42-L46 HydrophobicContact CG2-CB 3.68Å; G43-L46 WeakPolarHBondContact O-CB 3.27Å; G43-L46 PolarHBondContact O-N 3.21Å; R44-L46 PolarHBondContact O-N 3.19Å; R44-L46 VanDerWaalsContact O-N 3.16Å; L46-R48 VanDerWaalsContact C-N 3.27Å; L46-R48 PolarHBondContact O-N 2.72Å; L46-L49 PolarHBondContact O-N 3.08Å; L46-L49 VanDerWaalsContact O-N 3.16Å; L46-L50 HydrophobicContact CD1-CD1 4.22Å; L46-L50 HydrophobicContact CD1-CG 4.21Å; L46-L50 HydrophobicContact CG-CD1 3.95Å; L46-L50 HydrophobicContact CG-CG 4.39Å; L46-L50 WeakPolarHBondContact O-CG 3.36Å; L46-L50 PolarHBondContact O-N 3.41Å; L46-L83 HydrophobicContact CB-CD2 4.39Å; L46-L83 HydrophobicContact CD2-CD1 4.43Å; L46-L83 HydrophobicContact CD2-CD2 4.06Å |
| 47 | V | 98.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 4% | 0.036 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 176.6 | -172.8 | 0 | 0 | 0 | 0 | 110 | R44 D45 L49 L50 Q51 W63 I80 L83 L84 | R44-V47 VanDerWaalsContact O-CB 3.27Å; R44-V47 WeakPolarHBondContact O-CB 3.46Å; R44-V47 PolarHBondContact O-N 2.98Å; D45-V47 VanDerWaalsContact C-N 3.29Å; V47-L49 VanDerWaalsContact C-N 3.32Å; V47-L49 PolarHBondContact O-N 3.32Å; V47-L50 PolarHBondContact O-N 3.09Å; V47-Q51 WeakPolarHBondContact O-CG 3.5Å; V47-Q51 PolarHBondContact O-N 3.33Å; V47-W63 HydrophobicContact CG1-CH2 3.87Å; V47-I80 HydrophobicContact CB-CD1 4.41Å; V47-I80 HydrophobicContact CG1-CD1 3.97Å; V47-I80 HydrophobicContact CG1-CG1 4.42Å; V47-I80 HydrophobicContact CG2-CD1 3.56Å; V47-I80 HydrophobicContact CG2-CG1 4.45Å; V47-L83 HydrophobicContact CG2-CB 3.79Å; V47-L83 HydrophobicContact CG2-CD1 4.28Å; V47-L84 HydrophobicContact CB-CD2 4.11Å; V47-L84 HydrophobicContact CG1-CD2 3.99Å; V47-L84 HydrophobicContact CG2-CD2 4.04Å; V47-L84 HydrophobicContact CG2-CG 4.21Å |
| 48 | R | 98.3 | Very high | 98 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 2% | 0.023 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.6 | -39.8 | 176.6 | -166 | -179.5 | 58.4 | 77.3 | -1 | 112.6 | R44 D45 L46 Q51 N52 Y189 | R44-R48 PolarHBondContact O-N 3.3Å; D45-R48 WeakPolarHBondContact O-CB 3.27Å; D45-R48 PolarHBondContact O-N 3.2Å; D45-R48 IonicContact OD1-CZ 2.72Å; D45-R48 IonicContact OD1-NE 3.71Å; D45-R48 PolarHBondContact OD1-NE 3.05Å; D45-R48 IonicContact OD1-NH2 3.65Å; D45-R48 PolarHBondContact OD1-NH2 3.18Å; D45-R48 VanDerWaalsContact OD1-NH2 3.14Å; L46-R48 VanDerWaalsContact C-N 3.27Å; L46-R48 PolarHBondContact O-N 2.72Å; R48-Q51 WeakPolarHBondContact O-CG 3.4Å; R48-N52 VanDerWaalsContact O-CG 3.25Å; R48-N52 PolarHBondContact O-ND2 3.04Å; R48-N52 PolarHBondContact O-OD1 3.48Å; R48-Y189 VanDerWaalsContact CA-OH 3.28Å; R48-Y189 WeakPolarHBondContact CA-OH 3.02Å; R48-Y189 HydrophobicContact CB-CD2 4.38Å; R48-Y189 HydrophobicContact CB-CE1 3.88Å; R48-Y189 HydrophobicContact CB-CE2 3.72Å; R48-Y189 VanDerWaalsContact CB-CZ 3.45Å; R48-Y189 HydrophobicContact CG-CD2 4.09Å; R48-Y189 HydrophobicContact CG-CE2 3.7Å; R48-Y189 PolarHBondContact N-OH 3.19Å |
| 49 | L | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.9 | -42.7 | 178.3 | -65.5 | -177.8 | 0 | 0 | 0 | 111.2 | Y2 L5 R6 D45 L46 V47 Q51 N52 | Y2-L49 HydrophobicContact CD1-CD1 4.19Å; Y2-L49 HydrophobicContact CD2-CD1 3.45Å; Y2-L49 VanDerWaalsContact CD2-CD1 3.45Å; Y2-L49 HydrophobicContact CE1-CD1 4.22Å; Y2-L49 HydrophobicContact CE2-CD1 3.51Å; Y2-L49 HydrophobicContact CE2-CG 4.33Å; Y2-L49 HydrophobicContact CG-CD1 3.82Å; Y2-L49 WeakPolarHBondContact O-CD1 3.28Å; L5-L49 HydrophobicContact CB-CB 4.04Å; L5-L49 HydrophobicContact CB-CD1 4.13Å; L5-L49 HydrophobicContact CD1-CB 4.22Å; R6-L49 HydrophobicContact CB-CD2 3.97Å; D45-L49 WeakPolarHBondContact O-CG 3.45Å; D45-L49 PolarHBondContact O-N 2.91Å; L46-L49 PolarHBondContact O-N 3.08Å; L46-L49 VanDerWaalsContact O-N 3.16Å; V47-L49 VanDerWaalsContact C-N 3.32Å; V47-L49 PolarHBondContact O-N 3.32Å; L49-Q51 VanDerWaalsContact C-N 3.34Å; L49-Q51 PolarHBondContact O-N 2.81Å; L49-N52 WeakPolarHBondContact O-CB 3.31Å; L49-N52 PolarHBondContact O-N 3.47Å |
| 50 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.1 | -36 | 179.7 | -70.2 | 173.2 | 0 | 0 | 0 | 112.9 | L5 L32 L46 V47 N52 V53 A54 F59 L62 W63 I66 | L5-L50 HydrophobicContact CD1-CD2 3.99Å; L5-L50 HydrophobicContact CD1-CG 4.39Å; L5-L50 HydrophobicContact CD2-CD2 4.17Å; L32-L50 HydrophobicContact CD1-CD2 3.98Å; L46-L50 HydrophobicContact CD1-CD1 4.22Å; L46-L50 HydrophobicContact CD1-CG 4.21Å; L46-L50 HydrophobicContact CG-CD1 3.95Å; L46-L50 HydrophobicContact CG-CG 4.39Å; L46-L50 WeakPolarHBondContact O-CG 3.36Å; L46-L50 PolarHBondContact O-N 3.41Å; V47-L50 PolarHBondContact O-N 3.09Å; L50-N52 VanDerWaalsContact C-N 3.27Å; L50-N52 PolarHBondContact O-N 2.94Å; L50-V53 PolarHBondContact O-N 3.14Å; L50-A54 PolarHBondContact O-N 3.1Å; L50-A54 VanDerWaalsContact O-N 3.09Å; L50-F59 HydrophobicContact CD2-CD1 3.94Å; L50-F59 HydrophobicContact CD2-CE1 4.01Å; L50-L62 HydrophobicContact CD2-CD2 4.01Å; L50-W63 HydrophobicContact CB-CH2 4.48Å; L50-W63 HydrophobicContact CB-CZ2 3.54Å; L50-W63 PolarHBondContact O-NE1 3.33Å; L50-I66 HydrophobicContact CD1-CD1 3.81Å |
| 51 | Q | 97.2 | Very high | 98.1 | Very high | 57 Ų | 57 | 43.2 Ų | 43.2 | 27% | 0.266 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.9 | -32 | 176.9 | 59 | 170.9 | 95.3 | 0 | 0 | 111.9 | V47 R48 L49 V53 A54 W63 Y189 | V47-Q51 WeakPolarHBondContact O-CG 3.5Å; V47-Q51 PolarHBondContact O-N 3.33Å; R48-Q51 WeakPolarHBondContact O-CG 3.4Å; L49-Q51 VanDerWaalsContact C-N 3.34Å; L49-Q51 PolarHBondContact O-N 2.81Å; Q51-V53 PolarHBondContact O-N 3.28Å; Q51-A54 WeakPolarHBondContact O-CB 3.37Å; Q51-A54 PolarHBondContact O-N 3.14Å; Q51-W63 HydrophobicContact CB-CZ2 4.26Å; Q51-Y189 PolarHBondContact OE1-OH 3.29Å |
| 52 | N | 96.7 | Very high | 98.2 | Very high | 50 Ų | 50 | 37.3 Ų | 37.3 | 27% | 0.267 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -71.8 | -21 | -177.9 | -68.6 | -13.6 | 0 | 0 | 0 | 112.2 | V9 R48 L49 L50 | V9-N52 HydrophobicContact CG2-CB 3.92Å; R48-N52 VanDerWaalsContact O-CG 3.25Å; R48-N52 PolarHBondContact O-ND2 3.04Å; R48-N52 PolarHBondContact O-OD1 3.48Å; L49-N52 WeakPolarHBondContact O-CB 3.31Å; L49-N52 PolarHBondContact O-N 3.47Å; L50-N52 VanDerWaalsContact C-N 3.27Å; L50-N52 PolarHBondContact O-N 2.94Å |
| 53 | V | 98.1 | Very high | 98.2 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.024 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | 10.4 | 179.3 | -60.1 | 0 | 0 | 0 | 0 | 112.5 | L5 I8 V9 L50 Q51 R55 I56 F59 | L5-V53 HydrophobicContact CD2-CG2 4.34Å; I8-V53 HydrophobicContact CB-CG1 4.11Å; I8-V53 HydrophobicContact CG2-CB 4.34Å; I8-V53 HydrophobicContact CG2-CG1 3.58Å; V9-V53 HydrophobicContact CG2-CG1 3.86Å; L50-V53 PolarHBondContact O-N 3.14Å; Q51-V53 PolarHBondContact O-N 3.28Å; V53-R55 PolarHBondContact O-N 2.86Å; V53-R55 VanDerWaalsContact O-N 3.09Å; V53-I56 HydrophobicContact CB-CD1 3.99Å; V53-I56 HydrophobicContact CB-CG1 4.41Å; V53-I56 HydrophobicContact CG1-CD1 4.38Å; V53-I56 WeakPolarHBondContact O-CB 3.46Å; V53-I56 VanDerWaalsContact O-CG1 3.29Å; V53-I56 WeakPolarHBondContact O-CG1 3.42Å; V53-I56 PolarHBondContact O-N 2.69Å; V53-I56 VanDerWaalsContact O-N 3.1Å; V53-F59 HydrophobicContact CB-CD2 3.78Å; V53-F59 HydrophobicContact CB-CE2 4.05Å; V53-F59 HydrophobicContact CB-CG 4.3Å; V53-F59 HydrophobicContact CG2-CB 4.32Å; V53-F59 HydrophobicContact CG2-CD1 3.91Å; V53-F59 HydrophobicContact CG2-CD2 3.52Å; V53-F59 HydrophobicContact CG2-CE1 4.12Å; V53-F59 HydrophobicContact CG2-CE2 3.72Å; V53-F59 HydrophobicContact CG2-CG 3.64Å; V53-F59 HydrophobicContact CG2-CZ 4.04Å; V53-F59 WeakPolarHBondContact O-CB 3.31Å |
| 54 | A | 97.8 | Very high | 98.3 | Very high | 31 Ų | 31 | 45.6 Ų | 45.6 | 26% | 0.256 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L50 Q51 I56 | L50-A54 PolarHBondContact O-N 3.1Å; L50-A54 VanDerWaalsContact O-N 3.09Å; Q51-A54 WeakPolarHBondContact O-CB 3.37Å; Q51-A54 PolarHBondContact O-N 3.14Å; A54-I56 VanDerWaalsContact C-N 3.25Å; A54-I56 PolarHBondContact O-N 3.37Å |
| 55 | R | 97.2 | Very high | 98.2 | Very high | 242 Ų | 242 | 47 Ų | 47 | 91% | 0.913 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -0.2 | 180 | -63 | -172.5 | 66.3 | -169.2 | -0.4 | 114.1 | V53 | V53-R55 PolarHBondContact O-N 2.86Å; V53-R55 VanDerWaalsContact O-N 3.09Å |
| 56 | I | 98.4 | Very high | 98.2 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 6% | 0.056 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -84.7 | 131.3 | 174.5 | -57.2 | -169.8 | 0 | 0 | 0 | 107.4 | I8 V25 V53 A54 E58 F59 E60 | I8-I56 HydrophobicContact CG2-CD1 3.47Å; I8-I56 VanDerWaalsContact CG2-CD1 3.47Å; V25-I56 HydrophobicContact CG1-CG2 4.22Å; V25-I56 HydrophobicContact CG2-CD1 4.19Å; V25-I56 HydrophobicContact CG2-CG2 4.13Å; V53-I56 HydrophobicContact CB-CD1 3.99Å; V53-I56 HydrophobicContact CB-CG1 4.41Å; V53-I56 HydrophobicContact CG1-CD1 4.38Å; V53-I56 WeakPolarHBondContact O-CB 3.46Å; V53-I56 VanDerWaalsContact O-CG1 3.29Å; V53-I56 WeakPolarHBondContact O-CG1 3.42Å; V53-I56 PolarHBondContact O-N 2.69Å; V53-I56 VanDerWaalsContact O-N 3.1Å; A54-I56 VanDerWaalsContact C-N 3.25Å; A54-I56 PolarHBondContact O-N 3.37Å; I56-E58 VanDerWaalsContact C-N 3.28Å; I56-E58 WeakPolarHBondContact CG2-OE2 3.38Å; I56-E58 PolarHBondContact O-N 2.75Å; I56-E58 VanDerWaalsContact O-N 3.13Å; I56-F59 HydrophobicContact CB-CB 4.36Å; I56-F59 HydrophobicContact CB-CD2 3.81Å; I56-F59 HydrophobicContact CD1-CD2 4.09Å; I56-F59 HydrophobicContact CD1-CE2 4.36Å; I56-F59 HydrophobicContact CG1-CD2 4.35Å; I56-F59 HydrophobicContact CG2-CD2 3.96Å; I56-F59 CarbonylContact O-C 3.54Å; I56-F59 WeakPolarHBondContact O-CA 3.48Å; I56-F59 PolarHBondContact O-N 2.68Å; I56-E60 PolarHBondContact O-N 2.97Å |
| 57 | P | 98.5 | Very high | 98.2 | Very high | 87 Ų | 87 | 49.5 Ų | 49.5 | 57% | 0.565 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -51.8 | -42 | -170.6 | -29.3 | 35.8 | 0 | 0 | 0 | 114.6 | F59 E60 L61 | P57-F59 VanDerWaalsContact C-N 3.35Å; P57-F59 PolarHBondContact O-N 2.45Å; P57-E60 WeakPolarHBondContact O-CB 3.46Å; P57-E60 PolarHBondContact O-N 3.25Å; P57-L61 WeakPolarHBondContact O-CG 3.39Å; P57-L61 PolarHBondContact O-N 3.17Å; P57-L61 VanDerWaalsContact O-N 3.09Å |
| 58 | E | 98.7 | Very high | 98.1 | Very high | 50 Ų | 50 | 56.1 Ų | 56.1 | 23% | 0.234 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.6 | -36.4 | -179.5 | -59 | 87 | 158.9 | 0 | 0 | 112 | Q22 V25 I29 I56 L62 | Q22-E58 PolarHBondContact NE2-OE1 2.74Å; V25-E58 HydrophobicContact CG1-CB 3.83Å; V25-E58 HydrophobicContact CG1-CG 3.91Å; I29-E58 HydrophobicContact CD1-CB 3.96Å; I29-E58 WeakPolarHBondContact CD1-O 3.48Å; I29-E58 HydrophobicContact CG1-CB 3.84Å; I56-E58 VanDerWaalsContact C-N 3.28Å; I56-E58 WeakPolarHBondContact CG2-OE2 3.38Å; I56-E58 PolarHBondContact O-N 2.75Å; I56-E58 VanDerWaalsContact O-N 3.13Å; E58-L62 PolarHBondContact O-N 2.93Å |
| 59 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -76.3 | -30.3 | 175.1 | -73.4 | -64.6 | 0 | 0 | 0 | 112.3 | L5 I8 V25 C28 I29 L32 L50 V53 I56 P57 L61 L62 W63 | L5-F59 HydrophobicContact CD2-CD1 4.5Å; L5-F59 HydrophobicContact CD2-CE1 3.41Å; L5-F59 VanDerWaalsContact CD2-CE1 3.41Å; L5-F59 HydrophobicContact CD2-CE2 4.33Å; L5-F59 HydrophobicContact CD2-CZ 3.3Å; I8-F59 HydrophobicContact CD1-CE2 3.94Å; I8-F59 HydrophobicContact CD1-CZ 4.05Å; V25-F59 HydrophobicContact CB-CE2 4.41Å; V25-F59 HydrophobicContact CG1-CE2 4.13Å; V25-F59 HydrophobicContact CG2-CE2 4.02Å; C28-F59 HydrophobicContact CB-CZ 4.08Å; I29-F59 HydrophobicContact CD1-CD1 3.64Å; I29-F59 HydrophobicContact CD1-CE1 3.63Å; I29-F59 HydrophobicContact CD1-CG 4.2Å; I29-F59 HydrophobicContact CD1-CZ 4.21Å; I29-F59 HydrophobicContact CG1-CE1 4.18Å; I29-F59 HydrophobicContact CG1-CZ 4.3Å; L32-F59 HydrophobicContact CD1-CE1 4.07Å; L50-F59 HydrophobicContact CD2-CD1 3.94Å; L50-F59 HydrophobicContact CD2-CE1 4.01Å; V53-F59 HydrophobicContact CB-CD2 3.78Å; V53-F59 HydrophobicContact CB-CE2 4.05Å; V53-F59 HydrophobicContact CB-CG 4.3Å; V53-F59 HydrophobicContact CG2-CB 4.32Å; V53-F59 HydrophobicContact CG2-CD1 3.91Å; V53-F59 HydrophobicContact CG2-CD2 3.52Å; V53-F59 HydrophobicContact CG2-CE1 4.12Å; V53-F59 HydrophobicContact CG2-CE2 3.72Å; V53-F59 HydrophobicContact CG2-CG 3.64Å; V53-F59 HydrophobicContact CG2-CZ 4.04Å; V53-F59 WeakPolarHBondContact O-CB 3.31Å; I56-F59 HydrophobicContact CB-CB 4.36Å; I56-F59 HydrophobicContact CB-CD2 3.81Å; I56-F59 HydrophobicContact CD1-CD2 4.09Å; I56-F59 HydrophobicContact CD1-CE2 4.36Å; I56-F59 HydrophobicContact CG1-CD2 4.35Å; I56-F59 HydrophobicContact CG2-CD2 3.96Å; I56-F59 CarbonylContact O-C 3.54Å; I56-F59 WeakPolarHBondContact O-CA 3.48Å; I56-F59 PolarHBondContact O-N 2.68Å; P57-F59 VanDerWaalsContact C-N 3.35Å; P57-F59 PolarHBondContact O-N 2.45Å; F59-L61 VanDerWaalsContact C-N 3.35Å; F59-L62 HydrophobicContact CD1-CD2 4.01Å; F59-L62 HydrophobicContact CE1-CD2 4.34Å; F59-L62 PolarHBondContact O-N 3.37Å; F59-W63 WeakPolarHBondContact O-CB 3.25Å; F59-W63 PolarHBondContact O-N 3.1Å |
| 60 | E | 98.5 | Very high | 98 | Very high | 127 Ų | 127 | 61 Ų | 61 | 59% | 0.593 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.3 | -45.2 | 171.1 | -172.8 | 179.8 | 159.4 | 0 | 0 | 110.8 | I56 P57 W63 K64 | I56-E60 PolarHBondContact O-N 2.97Å; P57-E60 WeakPolarHBondContact O-CB 3.46Å; P57-E60 PolarHBondContact O-N 3.25Å; E60-W63 PolarHBondContact O-N 3.1Å; E60-K64 PolarHBondContact O-N 2.95Å |
| 61 | L | 98.4 | Very high | 98 | Very high | 104 Ų | 104 | 67.5 Ų | 67.5 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 173.4 | -67.6 | 175.5 | 0 | 0 | 0 | 112 | P57 F59 W63 K64 D65 | P57-L61 WeakPolarHBondContact O-CG 3.39Å; P57-L61 PolarHBondContact O-N 3.17Å; P57-L61 VanDerWaalsContact O-N 3.09Å; F59-L61 VanDerWaalsContact C-N 3.35Å; L61-W63 VanDerWaalsContact C-N 3.34Å; L61-W63 PolarHBondContact O-N 3.37Å; L61-K64 WeakPolarHBondContact O-CB 3.49Å; L61-K64 PolarHBondContact O-N 3.48Å; L61-D65 PolarHBondContact O-N 3.01Å; L61-D65 VanDerWaalsContact O-N 3.14Å |
| 62 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 175.2 | -177.7 | 64.8 | 0 | 0 | 0 | 111.9 | I29 L32 R33 L50 E58 F59 K64 D65 I66 L73 | I29-L62 HydrophobicContact CD1-CB 4.13Å; I29-L62 HydrophobicContact CD1-CD2 4.05Å; L32-L62 HydrophobicContact CB-CD2 4.07Å; L32-L62 HydrophobicContact CD1-CD2 3.62Å; L32-L62 HydrophobicContact CG-CD2 4.34Å; R33-L62 HydrophobicContact CG-CD1 4.38Å; L50-L62 HydrophobicContact CD2-CD2 4.01Å; E58-L62 PolarHBondContact O-N 2.93Å; F59-L62 HydrophobicContact CD1-CD2 4.01Å; F59-L62 HydrophobicContact CE1-CD2 4.34Å; F59-L62 PolarHBondContact O-N 3.37Å; L62-K64 VanDerWaalsContact C-N 3.32Å; L62-K64 PolarHBondContact O-N 3.02Å; L62-D65 PolarHBondContact O-N 2.93Å; L62-I66 HydrophobicContact CD2-CD1 4.46Å; L62-I66 HydrophobicContact CG-CD1 4.01Å; L62-I66 HydrophobicContact CG-CG1 4.44Å; L62-I66 WeakPolarHBondContact O-CG1 3.21Å; L62-I66 PolarHBondContact O-N 3.29Å; L62-L73 HydrophobicContact CD1-CD1 4.28Å; L62-L73 HydrophobicContact CD1-CD2 3.75Å |
| 63 | W | 98.5 | Very high | 98 | Very high | 45 Ų | 45 | 66.1 Ų | 66.1 | 17% | 0.17 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 176.1 | -88.7 | 113.8 | 0 | 0 | 0 | 112.1 | V47 L50 Q51 F59 E60 L61 D65 I66 I67 I80 | V47-W63 HydrophobicContact CG1-CH2 3.87Å; L50-W63 HydrophobicContact CB-CH2 4.48Å; L50-W63 HydrophobicContact CB-CZ2 3.54Å; L50-W63 PolarHBondContact O-NE1 3.33Å; Q51-W63 HydrophobicContact CB-CZ2 4.26Å; F59-W63 WeakPolarHBondContact O-CB 3.25Å; F59-W63 PolarHBondContact O-N 3.1Å; E60-W63 PolarHBondContact O-N 3.1Å; L61-W63 VanDerWaalsContact C-N 3.34Å; L61-W63 PolarHBondContact O-N 3.37Å; W63-D65 VanDerWaalsContact C-N 3.3Å; W63-D65 PolarHBondContact O-N 3.46Å; W63-I66 HydrophobicContact CE3-CB 4.34Å; W63-I66 HydrophobicContact CE3-CD1 4.36Å; W63-I66 HydrophobicContact CE3-CG2 4.12Å; W63-I66 HydrophobicContact CZ3-CG2 4.16Å; W63-I66 PolarHBondContact O-N 3.43Å; W63-I67 HydrophobicContact CE3-CD1 4.34Å; W63-I67 HydrophobicContact CE3-CG1 4.2Å; W63-I67 HydrophobicContact CZ3-CD1 4.31Å; W63-I67 VanDerWaalsContact O-CG1 3.32Å; W63-I67 WeakPolarHBondContact O-CG1 3.44Å; W63-I67 PolarHBondContact O-N 3.16Å; W63-I80 HydrophobicContact CH2-CD1 4.47Å; W63-I80 HydrophobicContact CZ3-CD1 4.19Å |
| 64 | K | 98.3 | Very high | 98 | Very high | 134 Ų | 134 | 66.7 Ų | 66.7 | 58% | 0.583 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.7 | -44.7 | 172.9 | -171.6 | -177 | 179.1 | -179.3 | 0 | 111.2 | E60 L61 L62 H68 | E60-K64 PolarHBondContact O-N 2.95Å; L61-K64 WeakPolarHBondContact O-CB 3.49Å; L61-K64 PolarHBondContact O-N 3.48Å; L62-K64 VanDerWaalsContact C-N 3.32Å; L62-K64 PolarHBondContact O-N 3.02Å; K64-H68 WeakPolarHBondContact O-CB 3.41Å; K64-H68 PolarHBondContact O-N 3.05Å |
| 65 | D | 98.1 | Very high | 98 | Very high | 33 Ų | 33 | 70.4 Ų | 70.4 | 18% | 0.176 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.9 | -45.2 | 176.3 | -63.5 | -36.1 | 0 | 0 | 0 | 111.5 | R33 L61 L62 W63 I67 N69 P70 L73 | R33-D65 IonicContact CZ-OD2 3.15Å; R33-D65 VanDerWaalsContact CZ-OD2 3.24Å; R33-D65 IonicContact NH1-OD2 3.33Å; R33-D65 PolarHBondContact NH1-OD2 2.95Å; R33-D65 IonicContact NH2-OD2 3.49Å; R33-D65 PolarHBondContact NH2-OD2 3.41Å; L61-D65 PolarHBondContact O-N 3.01Å; L61-D65 VanDerWaalsContact O-N 3.14Å; L62-D65 PolarHBondContact O-N 2.93Å; W63-D65 VanDerWaalsContact C-N 3.3Å; W63-D65 PolarHBondContact O-N 3.46Å; D65-I67 VanDerWaalsContact C-N 3.27Å; D65-I67 PolarHBondContact O-N 2.98Å; D65-N69 CarbonylContact O-C 3.5Å; D65-N69 VanDerWaalsContact O-CA 3.3Å; D65-N69 WeakPolarHBondContact O-CA 3.33Å; D65-N69 PolarHBondContact O-N 3.39Å; D65-P70 WeakPolarHBondContact O-CA 3.47Å; D65-L73 HydrophobicContact CB-CD1 4.31Å; D65-L73 HydrophobicContact CB-CD2 4.19Å; D65-L73 HydrophobicContact CB-CG 4.22Å |
| 66 | I | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.5 | -40.8 | 178.3 | -72.4 | 170.5 | 0 | 0 | 0 | 112.1 | L50 L62 W63 L73 F77 I80 | L50-I66 HydrophobicContact CD1-CD1 3.81Å; L62-I66 HydrophobicContact CD2-CD1 4.46Å; L62-I66 HydrophobicContact CG-CD1 4.01Å; L62-I66 HydrophobicContact CG-CG1 4.44Å; L62-I66 WeakPolarHBondContact O-CG1 3.21Å; L62-I66 PolarHBondContact O-N 3.29Å; W63-I66 HydrophobicContact CE3-CB 4.34Å; W63-I66 HydrophobicContact CE3-CD1 4.36Å; W63-I66 HydrophobicContact CE3-CG2 4.12Å; W63-I66 HydrophobicContact CZ3-CG2 4.16Å; W63-I66 PolarHBondContact O-N 3.43Å; I66-L73 HydrophobicContact CB-CD1 4.41Å; I66-L73 HydrophobicContact CG1-CD1 3.52Å; I66-F77 HydrophobicContact CG2-CE1 4.31Å; I66-F77 HydrophobicContact CG2-CZ 4.35Å; I66-I80 HydrophobicContact CG2-CB 4.29Å; I66-I80 HydrophobicContact CG2-CD1 3.86Å; I66-I80 HydrophobicContact CG2-CG1 4.48Å |
| 67 | I | 97.9 | Very high | 97.9 | Very high | 51 Ų | 51 | 64.6 Ų | 64.6 | 26% | 0.262 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -88.3 | -41.8 | -173.7 | -61 | -60.6 | 0 | 0 | 0 | 112.3 | W63 D65 I80 Y237 | W63-I67 HydrophobicContact CE3-CD1 4.34Å; W63-I67 HydrophobicContact CE3-CG1 4.2Å; W63-I67 HydrophobicContact CZ3-CD1 4.31Å; W63-I67 VanDerWaalsContact O-CG1 3.32Å; W63-I67 WeakPolarHBondContact O-CG1 3.44Å; W63-I67 PolarHBondContact O-N 3.16Å; D65-I67 VanDerWaalsContact C-N 3.27Å; D65-I67 PolarHBondContact O-N 2.98Å; I67-I80 HydrophobicContact CD1-CB 4.35Å; I67-I80 HydrophobicContact CD1-CG2 4.24Å; I67-Y237 HydrophobicContact CD1-CE2 4.13Å |
| 68 | H | 97.6 | Very high | 97.8 | Very high | 145 Ų | 145 | 66 Ų | 66 | 67% | 0.671 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -107.4 | -20.2 | -170.5 | -59.8 | -64.4 | 0 | 0 | 0 | 114.1 | K64 | K64-H68 WeakPolarHBondContact O-CB 3.41Å; K64-H68 PolarHBondContact O-N 3.05Å |
| 69 | N | 97.5 | Very high | 97.8 | Very high | 84 Ų | 84 | 64.1 Ų | 64.1 | 45% | 0.449 | 34% | 0.339 | S | S | . | . | trans | -143.7 | 54 | -177.7 | -165.2 | 14.2 | 0 | 0 | 0 | 112.7 | D65 Q71 A72 | D65-N69 CarbonylContact O-C 3.5Å; D65-N69 VanDerWaalsContact O-CA 3.3Å; D65-N69 WeakPolarHBondContact O-CA 3.33Å; D65-N69 PolarHBondContact O-N 3.39Å; N69-Q71 PolarHBondContact O-N 3.46Å; N69-Q71 VanDerWaalsContact O-N 3.13Å; N69-A72 HydrophobicContact CB-CB 4.45Å; N69-A72 VanDerWaalsContact ND2-CB 3.3Å; N69-A72 WeakPolarHBondContact ND2-CB 3.46Å; N69-A72 WeakPolarHBondContact O-CB 3.24Å; N69-A72 PolarHBondContact O-N 3.37Å | ||
| 70 | P | 97.2 | Very high | 97.7 | Very high | 25 Ų | 25 | 64.8 Ų | 64.8 | 16% | 0.162 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -59.9 | -31 | -172.1 | 23.5 | -34.6 | 0 | 0 | 0 | 112.7 | D65 A72 L73 S74 F77 | D65-P70 WeakPolarHBondContact O-CA 3.47Å; P70-A72 PolarHBondContact O-N 3.26Å; P70-L73 WeakPolarHBondContact O-CB 3.46Å; P70-L73 PolarHBondContact O-N 3.11Å; P70-L73 VanDerWaalsContact O-N 3.09Å; P70-S74 PolarHBondContact O-N 3.36Å; P70-F77 HydrophobicContact CB-CD1 3.33Å; P70-F77 HydrophobicContact CB-CE1 3.59Å; P70-F77 HydrophobicContact CB-CG 4.2Å |
| 71 | Q | 97.4 | Very high | 97.7 | Very high | 137 Ų | 137 | 61 Ų | 61 | 64% | 0.64 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -68 | -20.2 | 179.5 | -68.4 | -171.9 | -4.5 | 0 | 0 | 113.9 | N69 L73 S74 | N69-Q71 PolarHBondContact O-N 3.46Å; N69-Q71 VanDerWaalsContact O-N 3.13Å; Q71-L73 VanDerWaalsContact C-N 3.27Å; Q71-L73 PolarHBondContact O-N 3.3Å; Q71-S74 WeakPolarHBondContact CA-O 3.49Å; Q71-S74 CarbonylContact O-C 2.96Å; Q71-S74 VanDerWaalsContact O-C 3.23Å; Q71-S74 PolarHBondContact O-N 3.01Å |
| 72 | A | 97.1 | Very high | 97.6 | Very high | 64 Ų | 64 | 58.6 Ų | 58.6 | 53% | 0.529 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -71.6 | -22.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N69 P70 | N69-A72 HydrophobicContact CB-CB 4.45Å; N69-A72 VanDerWaalsContact ND2-CB 3.3Å; N69-A72 WeakPolarHBondContact ND2-CB 3.46Å; N69-A72 WeakPolarHBondContact O-CB 3.24Å; N69-A72 PolarHBondContact O-N 3.37Å; P70-A72 PolarHBondContact O-N 3.26Å |
| 73 | L | 97.4 | Very high | 97.5 | Very high | 13 Ų | 13 | 58.6 Ų | 58.6 | 7% | 0.068 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -38.3 | 172.6 | -59.8 | 173.9 | 0 | 0 | 0 | 111.1 | R33 F36 L62 D65 I66 P70 Q71 F77 | R33-L73 HydrophobicContact CG-CD2 4.49Å; F36-L73 HydrophobicContact CB-CB 4.11Å; F36-L73 WeakPolarHBondContact CB-O 3.47Å; F36-L73 HydrophobicContact CD1-CB 4.03Å; F36-L73 HydrophobicContact CD2-CB 4.04Å; F36-L73 HydrophobicContact CD2-CD1 4.03Å; F36-L73 HydrophobicContact CD2-CG 4.46Å; F36-L73 HydrophobicContact CE1-CB 4.49Å; F36-L73 HydrophobicContact CE1-CD1 4.48Å; F36-L73 HydrophobicContact CE2-CB 4.49Å; F36-L73 HydrophobicContact CE2-CD1 3.73Å; F36-L73 HydrophobicContact CG-CB 3.78Å; F36-L73 HydrophobicContact CZ-CD1 3.98Å; L62-L73 HydrophobicContact CD1-CD1 4.28Å; L62-L73 HydrophobicContact CD1-CD2 3.75Å; D65-L73 HydrophobicContact CB-CD1 4.31Å; D65-L73 HydrophobicContact CB-CD2 4.19Å; D65-L73 HydrophobicContact CB-CG 4.22Å; I66-L73 HydrophobicContact CB-CD1 4.41Å; I66-L73 HydrophobicContact CG1-CD1 3.52Å; P70-L73 WeakPolarHBondContact O-CB 3.46Å; P70-L73 PolarHBondContact O-N 3.11Å; P70-L73 VanDerWaalsContact O-N 3.09Å; Q71-L73 VanDerWaalsContact C-N 3.27Å; Q71-L73 PolarHBondContact O-N 3.3Å; L73-F77 HydrophobicContact CD1-CD1 4.42Å; L73-F77 HydrophobicContact CD1-CE1 4.38Å |
| 74 | S | 97.6 | Very high | 97.5 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 11% | 0.112 | 30% | 0.304 | C | S | . | . | trans | -166.1 | 139.9 | 169.1 | -179 | 0 | 0 | 0 | 0 | 110.4 | M37 P70 Q71 Q76 F77 | M37-S74 WeakPolarHBondContact CG-OG 2.97Å; M37-S74 PolarHBondContact SD-OG 3.2Å; P70-S74 PolarHBondContact O-N 3.36Å; Q71-S74 WeakPolarHBondContact CA-O 3.49Å; Q71-S74 CarbonylContact O-C 2.96Å; Q71-S74 VanDerWaalsContact O-C 3.23Å; Q71-S74 PolarHBondContact O-N 3.01Å; S74-Q76 PolarHBondContact O-N 2.8Å; S74-Q76 PolarHBondContact OG-N 3.36Å; S74-F77 PolarHBondContact O-N 3.05Å | ||
| 75 | P | 97.2 | Very high | 97.5 | Very high | 109 Ų | 109 | 54.2 Ų | 54.2 | 71% | 0.708 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -18.7 | 174.4 | 25.6 | -35.4 | 0 | 0 | 0 | 113.6 | ||
| 76 | Q | 96.9 | Very high | 97.5 | Very high | 132 Ų | 132 | 54.7 Ų | 54.7 | 62% | 0.617 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -7.9 | 178 | -62.1 | 176.7 | 11.3 | 0 | 0 | 113.5 | M37 S74 Q82 | M37-Q76 HydrophobicContact CE-CB 3.91Å; M37-Q76 HydrophobicContact SD-CB 3.92Å; S74-Q76 PolarHBondContact O-N 2.8Å; S74-Q76 PolarHBondContact OG-N 3.36Å; Q76-Q82 PolarHBondContact O-OE1 3.37Å |
| 77 | F | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | trans | -89.9 | 111.1 | -179.7 | -177.2 | -131.2 | 0 | 0 | 0 | 110.2 | F36 L40 I66 P70 L73 S74 G79 Q82 L83 | F36-F77 HydrophobicContact CD1-CB 4.16Å; F36-F77 HydrophobicContact CD1-CD1 4.17Å; F36-F77 HydrophobicContact CD1-CD2 4.49Å; F36-F77 HydrophobicContact CD1-CG 4.05Å; F36-F77 HydrophobicContact CE1-CB 4.02Å; F36-F77 AromaticContact CE1-CD1 3.41Å; F36-F77 HydrophobicContact CE1-CD1 3.41Å; F36-F77 VanDerWaalsContact CE1-CD1 3.41Å; F36-F77 AromaticContact CE1-CD2 3.61Å; F36-F77 HydrophobicContact CE1-CD2 3.61Å; F36-F77 AromaticContact CE1-CE1 3.66Å; F36-F77 HydrophobicContact CE1-CE1 3.66Å; F36-F77 AromaticContact CE1-CE2 3.82Å; F36-F77 HydrophobicContact CE1-CE2 3.82Å; F36-F77 AromaticContact CE1-CG 3.4Å; F36-F77 HydrophobicContact CE1-CG 3.4Å; F36-F77 VanDerWaalsContact CE1-CG 3.4Å; F36-F77 AromaticContact CE1-CZ 3.86Å; F36-F77 HydrophobicContact CE1-CZ 3.86Å; F36-F77 AromaticContact CZ-CD1 3.92Å; F36-F77 HydrophobicContact CZ-CD1 3.92Å; F36-F77 HydrophobicContact CZ-CD2 4.42Å; F36-F77 AromaticContact CZ-CE1 3.71Å; F36-F77 HydrophobicContact CZ-CE1 3.71Å; F36-F77 HydrophobicContact CZ-CE2 4.21Å; F36-F77 HydrophobicContact CZ-CG 4.3Å; F36-F77 AromaticContact CZ-CZ 3.85Å; F36-F77 HydrophobicContact CZ-CZ 3.85Å; L40-F77 HydrophobicContact CD1-CD2 3.6Å; L40-F77 HydrophobicContact CD1-CE2 4.04Å; L40-F77 HydrophobicContact CD1-CG 4.5Å; I66-F77 HydrophobicContact CG2-CE1 4.31Å; I66-F77 HydrophobicContact CG2-CZ 4.35Å; P70-F77 HydrophobicContact CB-CD1 3.33Å; P70-F77 HydrophobicContact CB-CE1 3.59Å; P70-F77 HydrophobicContact CB-CG 4.2Å; L73-F77 HydrophobicContact CD1-CD1 4.42Å; L73-F77 HydrophobicContact CD1-CE1 4.38Å; S74-F77 PolarHBondContact O-N 3.05Å; F77-G79 VanDerWaalsContact CE2-C 3.45Å; F77-G79 WeakPolarHBondContact CE2-O 3.32Å; F77-G79 WeakPolarHBondContact CZ-O 3.41Å; F77-Q82 HydrophobicContact CE2-CB 4.49Å; F77-L83 HydrophobicContact CE2-CD1 3.9Å; F77-L83 HydrophobicContact CE2-CG 4.1Å; F77-L83 HydrophobicContact CZ-CD1 3.94Å | ||
| 78 | T | 96.8 | Very high | 97.4 | Very high | 115 Ų | 115 | 60.7 Ų | 60.7 | 71% | 0.706 | 32% | 0.322 | S | S | * | . | trans | -87.4 | -11.3 | -176.9 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | Q82 | T78-Q82 PolarHBondContact OG1-OE1 2.82Š| ||
| 79 | G | 96.8 | Very high | 97.4 | Very high | 11 Ų | 11 | 56.6 Ų | 56.6 | 11% | 0.113 | 31% | 0.31 | C | S | . | . | trans | 133.3 | 178.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F77 L81 Q82 | F77-G79 VanDerWaalsContact CE2-C 3.45Å; F77-G79 WeakPolarHBondContact CE2-O 3.32Å; F77-G79 WeakPolarHBondContact CZ-O 3.41Å; G79-L81 PolarHBondContact O-N 3.06Å; G79-Q82 WeakPolarHBondContact O-CB 3.3Å; G79-Q82 PolarHBondContact O-N 3.33Å | ||
| 80 | I | 97.9 | Very high | 97.5 | Very high | 15 Ų | 15 | 58.9 Ų | 58.9 | 8% | 0.077 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.3 | -28.5 | -169.6 | -164.4 | 58.6 | 0 | 0 | 0 | 114.4 | V47 W63 I66 I67 Q82 L83 L84 Y237 L240 | V47-I80 HydrophobicContact CB-CD1 4.41Å; V47-I80 HydrophobicContact CG1-CD1 3.97Å; V47-I80 HydrophobicContact CG1-CG1 4.42Å; V47-I80 HydrophobicContact CG2-CD1 3.56Å; V47-I80 HydrophobicContact CG2-CG1 4.45Å; W63-I80 HydrophobicContact CH2-CD1 4.47Å; W63-I80 HydrophobicContact CZ3-CD1 4.19Å; I66-I80 HydrophobicContact CG2-CB 4.29Å; I66-I80 HydrophobicContact CG2-CD1 3.86Å; I66-I80 HydrophobicContact CG2-CG1 4.48Å; I67-I80 HydrophobicContact CD1-CB 4.35Å; I67-I80 HydrophobicContact CD1-CG2 4.24Å; I80-Q82 VanDerWaalsContact C-N 3.28Å; I80-Q82 PolarHBondContact O-N 3.21Å; I80-L83 HydrophobicContact CD1-CB 4.42Å; I80-L83 HydrophobicContact CD1-CD1 4.13Å; I80-L83 WeakPolarHBondContact O-CB 3.5Å; I80-L83 PolarHBondContact O-N 2.7Å; I80-L83 VanDerWaalsContact O-N 3.16Å; I80-L84 HydrophobicContact CG1-CD1 3.92Å; I80-L84 HydrophobicContact CG1-CG 4.33Å; I80-L84 HydrophobicContact CG2-CD1 4.4Å; I80-L84 WeakPolarHBondContact O-CG 3.3Å; I80-L84 PolarHBondContact O-N 3.38Å; I80-Y237 HydrophobicContact CG2-CD1 4.42Å; I80-Y237 HydrophobicContact CG2-CE1 4.01Å; I80-L240 HydrophobicContact CG2-CD1 4.13Å |
| 81 | L | 98.2 | Very high | 97.5 | Very high | 46 Ų | 46 | 65.4 Ų | 65.4 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.1 | -37.4 | 177.6 | -177.1 | 63.5 | 0 | 0 | 0 | 112 | G79 L83 L84 Q85 F193 L240 | G79-L81 PolarHBondContact O-N 3.06Å; L81-L83 VanDerWaalsContact C-N 3.28Å; L81-L83 PolarHBondContact O-N 3.24Å; L81-L84 PolarHBondContact O-N 3.33Å; L81-Q85 HydrophobicContact CD1-CG 3.89Å; L81-Q85 HydrophobicContact CG-CG 4.27Å; L81-Q85 WeakPolarHBondContact O-CB 3.5Å; L81-Q85 WeakPolarHBondContact O-CG 3.44Å; L81-Q85 PolarHBondContact O-N 3.09Å; L81-F193 HydrophobicContact CD1-CD1 3.92Å; L81-F193 HydrophobicContact CD1-CE1 3.65Å; L81-L240 HydrophobicContact CB-CD1 4.13Å; L81-L240 HydrophobicContact CD1-CD1 4Å; L81-L240 HydrophobicContact CD1-CD2 4.3Å; L81-L240 HydrophobicContact CD2-CD2 4.42Å |
| 82 | Q | 97.3 | Very high | 97.5 | Very high | 55 Ų | 55 | 60.8 Ų | 60.8 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.8 | -40.7 | 176.9 | -177.2 | -177.1 | 1 | 0 | 0 | 111.6 | Q76 F77 T78 G79 I80 S86 | Q76-Q82 PolarHBondContact O-OE1 3.37Å; F77-Q82 HydrophobicContact CE2-CB 4.49Å; T78-Q82 PolarHBondContact OG1-OE1 2.82Å; G79-Q82 WeakPolarHBondContact O-CB 3.3Å; G79-Q82 PolarHBondContact O-N 3.33Å; I80-Q82 VanDerWaalsContact C-N 3.28Å; I80-Q82 PolarHBondContact O-N 3.21Å; Q82-S86 WeakPolarHBondContact O-CB 3.32Å; Q82-S86 PolarHBondContact O-N 3.22Å |
| 83 | L | 96.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.9 | -47 | 176.4 | -88.7 | 166.4 | 0 | 0 | 0 | 111.6 | F36 L40 R44 L46 V47 F77 I80 L81 Q85 S86 | F36-L83 HydrophobicContact CZ-CD1 4.13Å; L40-L83 HydrophobicContact CB-CD2 4.4Å; L40-L83 HydrophobicContact CD1-CD2 4.4Å; L40-L83 HydrophobicContact CD1-CG 4.27Å; L40-L83 HydrophobicContact CG-CD2 3.78Å; L40-L83 HydrophobicContact CG-CG 4.18Å; R44-L83 WeakPolarHBondContact CA-O 3.32Å; R44-L83 PolarHBondContact N-O 3.42Å; R44-L83 VanDerWaalsContact N-O 3.17Å; L46-L83 HydrophobicContact CB-CD2 4.39Å; L46-L83 HydrophobicContact CD2-CD1 4.43Å; L46-L83 HydrophobicContact CD2-CD2 4.06Å; V47-L83 HydrophobicContact CG2-CB 3.79Å; V47-L83 HydrophobicContact CG2-CD1 4.28Å; F77-L83 HydrophobicContact CE2-CD1 3.9Å; F77-L83 HydrophobicContact CE2-CG 4.1Å; F77-L83 HydrophobicContact CZ-CD1 3.94Å; I80-L83 HydrophobicContact CD1-CB 4.42Å; I80-L83 HydrophobicContact CD1-CD1 4.13Å; I80-L83 WeakPolarHBondContact O-CB 3.5Å; I80-L83 PolarHBondContact O-N 2.7Å; I80-L83 VanDerWaalsContact O-N 3.16Å; L81-L83 VanDerWaalsContact C-N 3.28Å; L81-L83 PolarHBondContact O-N 3.24Å; L83-Q85 VanDerWaalsContact C-N 3.3Å; L83-Q85 PolarHBondContact O-N 3.16Å; L83-S86 PolarHBondContact O-N 3.05Å; L83-S86 VanDerWaalsContact O-N 3.08Å |
| 84 | L | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.8 | -34.7 | -176.2 | -73 | 165.3 | 0 | 0 | 0 | 112.7 | R44 V47 I80 L81 S86 F193 F236 L240 | R44-L84 PolarHBondContact NE-O 3.44Å; V47-L84 HydrophobicContact CB-CD2 4.11Å; V47-L84 HydrophobicContact CG1-CD2 3.99Å; V47-L84 HydrophobicContact CG2-CD2 4.04Å; V47-L84 HydrophobicContact CG2-CG 4.21Å; I80-L84 HydrophobicContact CG1-CD1 3.92Å; I80-L84 HydrophobicContact CG1-CG 4.33Å; I80-L84 HydrophobicContact CG2-CD1 4.4Å; I80-L84 WeakPolarHBondContact O-CG 3.3Å; I80-L84 PolarHBondContact O-N 3.38Å; L81-L84 PolarHBondContact O-N 3.33Å; L84-S86 VanDerWaalsContact C-N 3.33Å; L84-F193 HydrophobicContact CB-CD1 4.25Å; L84-F193 HydrophobicContact CB-CD2 3.78Å; L84-F193 HydrophobicContact CB-CE1 4.31Å; L84-F193 HydrophobicContact CB-CE2 3.9Å; L84-F193 HydrophobicContact CB-CG 3.99Å; L84-F193 HydrophobicContact CB-CZ 4.17Å; L84-F193 HydrophobicContact CD1-CD2 4.46Å; L84-F193 HydrophobicContact CD1-CE1 4.34Å; L84-F193 HydrophobicContact CD1-CE2 3.72Å; L84-F193 HydrophobicContact CD1-CZ 3.64Å; L84-F193 HydrophobicContact CD2-CD2 4.14Å; L84-F193 HydrophobicContact CD2-CE2 3.91Å; L84-F193 HydrophobicContact CG-CD2 4.35Å; L84-F193 HydrophobicContact CG-CE2 4.05Å; L84-F193 HydrophobicContact CG-CZ 4.36Å; L84-F236 HydrophobicContact CD1-CE1 4.1Å; L84-F236 HydrophobicContact CD2-CE1 3.85Å; L84-F236 HydrophobicContact CD2-CZ 3.88Å; L84-L240 HydrophobicContact CD1-CD1 4.08Å |
| 85 | Q | 97.6 | Very high | 97.5 | Very high | 83 Ų | 83 | 60.5 Ų | 60.5 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -12.6 | 176.1 | -69.2 | -179.7 | -26.8 | 0 | 0 | 113.6 | L81 L83 F193 | L81-Q85 HydrophobicContact CD1-CG 3.89Å; L81-Q85 HydrophobicContact CG-CG 4.27Å; L81-Q85 WeakPolarHBondContact O-CB 3.5Å; L81-Q85 WeakPolarHBondContact O-CG 3.44Å; L81-Q85 PolarHBondContact O-N 3.09Å; L83-Q85 VanDerWaalsContact C-N 3.3Å; L83-Q85 PolarHBondContact O-N 3.16Å; Q85-F193 HydrophobicContact CG-CD1 4.42Å |
| 86 | S | 97.5 | Very high | 97.5 | Very high | 43 Ų | 43 | 57.4 Ų | 57.4 | 30% | 0.301 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -88.8 | 118.4 | 176.9 | -173.8 | 0 | 0 | 0 | 0 | 110.5 | G43 R44 Q82 L83 L84 | G43-S86 CarbonylContact C-O 3.58Å; G43-S86 WeakPolarHBondContact CA-O 3.39Å; R44-S86 WeakPolarHBondContact CB-O 3.35Å; R44-S86 PolarHBondContact N-O 3.49Å; Q82-S86 WeakPolarHBondContact O-CB 3.32Å; Q82-S86 PolarHBondContact O-N 3.22Å; L83-S86 PolarHBondContact O-N 3.05Å; L83-S86 VanDerWaalsContact O-N 3.08Å; L84-S86 VanDerWaalsContact C-N 3.33Å |
| 87 | R | 96.8 | Very high | 97.5 | Very high | 162 Ų | 162 | 51.8 Ų | 51.8 | 61% | 0.611 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 144.7 | 179 | 73.5 | -177.2 | -175.3 | -173.2 | 2.5 | 111.2 | K198 | R87-K198 PolarHBondContact NH1-O 2.94Š|
| 88 | T | 98.5 | Very high | 97.6 | Very high | 16 Ų | 16 | 54.8 Ų | 54.8 | 10% | 0.098 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 132.9 | 174.9 | -67.3 | 0 | 0 | 0 | 0 | 111.7 | I42 R44 D45 F92 L93 | I42-T88 WeakPolarHBondContact O-CA 3.32Å; I42-T88 WeakPolarHBondContact O-CB 3.32Å; I42-T88 VanDerWaalsContact O-CG2 3.28Å; I42-T88 WeakPolarHBondContact O-CG2 3.29Å; I42-T88 PolarHBondContact O-OG1 3.42Å; R44-T88 PolarHBondContact N-OG1 2.76Å; D45-T88 HydrophobicContact CB-CG2 3.93Å; D45-T88 WeakPolarHBondContact CB-OG1 3.37Å; D45-T88 PolarHBondContact N-OG1 3.32Å; T88-F92 HydrophobicContact CG2-CB 3.93Å; T88-F92 HydrophobicContact CG2-CD2 4.26Å; T88-L93 HydrophobicContact CG2-CD2 3.78Å; T88-L93 HydrophobicContact CG2-CG 4.1Å |
| 89 | S | 97.8 | Very high | 97.6 | Very high | 60 Ų | 60 | 54.3 Ų | 54.3 | 42% | 0.42 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 138.8 | 173.3 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | K91 F92 | S89-K91 PolarHBondContact O-N 3.29Å; S89-K91 PolarHBondContact OG-N 3.4Å; S89-F92 PolarHBondContact O-N 3.18Å |
| 90 | R | 97.9 | Very high | 97.7 | Very high | 131 Ų | 131 | 56.9 Ų | 56.9 | 49% | 0.494 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -52.7 | -29.9 | 175.7 | -66.9 | -174.3 | -179.5 | 157.8 | 3 | 113 | F92 L93 A94 G147 V148 H150 | R90-F92 VanDerWaalsContact C-N 3.26Å; R90-F92 PolarHBondContact O-N 3.42Å; R90-L93 PolarHBondContact O-N 3.41Å; R90-A94 WeakPolarHBondContact O-CB 3.35Å; R90-A94 PolarHBondContact O-N 2.96Å; R90-G147 WeakPolarHBondContact CG-O 3.44Å; R90-G147 PolarHBondContact NE-O 3.36Å; R90-V148 HydrophobicContact CB-CG2 4.21Å; R90-V148 HydrophobicContact CG-CG2 4.38Å; R90-H150 PolarHBondContact NH2-CE1 3.43Å; R90-H150 VanDerWaalsContact NH2-CE1 3.33Å; R90-H150 PolarHBondContact NH2-ND1 2.86Å |
| 91 | K | 97.8 | Very high | 97.8 | Very high | 162 Ų | 162 | 57 Ų | 57 | 70% | 0.704 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -55.6 | -40.1 | 176.9 | -178.9 | 177.4 | 177.1 | 177.6 | 0 | 112.3 | S89 C95 | S89-K91 PolarHBondContact O-N 3.29Å; S89-K91 PolarHBondContact OG-N 3.4Å; K91-C95 WeakPolarHBondContact O-CB 3.18Å; K91-C95 PolarHBondContact O-N 3.09Å; K91-C95 VanDerWaalsContact O-N 3.13Å |
| 92 | F | 98.3 | Very high | 97.8 | Very high | 40 Ų | 40 | 57.7 Ų | 57.7 | 18% | 0.175 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.2 | -39.4 | 179.5 | -64 | -66.8 | 0 | 0 | 0 | 111.8 | Y2 M41 I42 T88 S89 R90 C95 | Y2-F92 HydrophobicContact CD1-CB 4.1Å; Y2-F92 HydrophobicContact CD1-CD1 4.43Å; Y2-F92 HydrophobicContact CD2-CB 4.03Å; Y2-F92 HydrophobicContact CD2-CD1 4.18Å; Y2-F92 HydrophobicContact CD2-CG 4.28Å; Y2-F92 HydrophobicContact CE1-CB 3.96Å; Y2-F92 WeakPolarHBondContact CE1-O 3.29Å; Y2-F92 HydrophobicContact CE2-CB 3.91Å; Y2-F92 HydrophobicContact CG-CB 4.13Å; Y2-F92 AromaticContact CG-CD1 3.95Å; Y2-F92 HydrophobicContact CG-CD1 3.95Å; Y2-F92 HydrophobicContact CG-CG 4.38Å; M41-F92 HydrophobicContact CG-CE2 4.42Å; M41-F92 HydrophobicContact CG-CZ 4.1Å; I42-F92 HydrophobicContact CB-CD2 4.47Å; I42-F92 HydrophobicContact CB-CE2 4.35Å; I42-F92 HydrophobicContact CG1-CD1 4.09Å; I42-F92 HydrophobicContact CG1-CD2 4.34Å; I42-F92 HydrophobicContact CG1-CE1 3.74Å; I42-F92 HydrophobicContact CG1-CE2 4.02Å; I42-F92 HydrophobicContact CG1-CG 4.38Å; I42-F92 HydrophobicContact CG1-CZ 3.7Å; T88-F92 HydrophobicContact CG2-CB 3.93Å; T88-F92 HydrophobicContact CG2-CD2 4.26Å; S89-F92 PolarHBondContact O-N 3.18Å; R90-F92 VanDerWaalsContact C-N 3.26Å; R90-F92 PolarHBondContact O-N 3.42Å; F92-C95 PolarHBondContact O-SG 3.02Å |
| 93 | L | 98.2 | Very high | 97.9 | Very high | 7 Ų | 7 | 59.5 Ų | 59.5 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 177.6 | -53.4 | -176.1 | 0 | 0 | 0 | 111.4 | T88 R90 R143 V148 | T88-L93 HydrophobicContact CG2-CD2 3.78Å; T88-L93 HydrophobicContact CG2-CG 4.1Å; R90-L93 PolarHBondContact O-N 3.41Å; L93-R143 HydrophobicContact CD2-CB 4.2Å; L93-V148 HydrophobicContact CB-CG2 3.65Å; L93-V148 HydrophobicContact CD1-CG2 4.22Å |
| 94 | A | 97.5 | Very high | 97.9 | Very high | 24 Ų | 24 | 62.6 Ų | 62.6 | 20% | 0.198 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R90 R96 L97 Y144 | R90-A94 WeakPolarHBondContact O-CB 3.35Å; R90-A94 PolarHBondContact O-N 2.96Å; A94-R96 PolarHBondContact O-N 3.27Å; A94-L97 PolarHBondContact O-N 3.26Å; A94-Y144 HydrophobicContact CB-CD2 4.39Å; A94-Y144 HydrophobicContact CB-CE2 4.03Å |
| 95 | C | 96.3 | Very high | 97.9 | Very high | 56 Ų | 56 | 62.5 Ų | 62.5 | 38% | 0.378 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -5.9 | -174.9 | 81.2 | 0 | 0 | 0 | 0 | 114.4 | K91 F92 | K91-C95 WeakPolarHBondContact O-CB 3.18Å; K91-C95 PolarHBondContact O-N 3.09Å; K91-C95 VanDerWaalsContact O-N 3.13Å; F92-C95 PolarHBondContact O-SG 3.02Å |
| 96 | R | 96.3 | Very high | 98 | Very high | 45 Ų | 45 | 61.7 Ų | 61.7 | 17% | 0.17 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -11.6 | 175.4 | -59.6 | -61.8 | 76.9 | -143 | -12 | 113.8 | Y2 T3 A94 D140 | Y2-R96 HydrophobicContact CD1-CG 4.02Å; Y2-R96 HydrophobicContact CE1-CG 3.48Å; Y2-R96 VanDerWaalsContact CE1-CG 3.48Å; T3-R96 VanDerWaalsContact CA-NH1 3.33Å; T3-R96 PolarHBondContact O-NH1 2.87Å; T3-R96 PolarHBondContact OG1-NH2 3.27Å; T3-R96 VanDerWaalsContact OG1-NH2 3.1Å; A94-R96 PolarHBondContact O-N 3.27Å; R96-D140 HydrophobicContact CB-CB 4Å |
| 97 | L | 98.1 | Very high | 98 | Very high | 14 Ų | 14 | 63.9 Ų | 63.9 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -97.3 | 144.1 | 171.2 | -59.1 | -166.3 | 0 | 0 | 0 | 109.9 | A94 M101 L105 L137 D140 L141 Y144 | A94-L97 PolarHBondContact O-N 3.26Å; L97-M101 HydrophobicContact CB-CB 4.19Å; L97-M101 HydrophobicContact CD2-SD 4.31Å; L97-L105 HydrophobicContact CD1-CD1 3.74Å; L97-L137 HydrophobicContact CD2-CD1 4.38Å; L97-D140 HydrophobicContact CD2-CB 4.37Å; L97-L141 HydrophobicContact CD1-CD2 4.06Å; L97-L141 HydrophobicContact CD2-CD2 3.53Å; L97-L141 HydrophobicContact CD2-CG 4.25Å; L97-L141 HydrophobicContact CG-CD2 4.49Å; L97-Y144 HydrophobicContact CD1-CD1 3.63Å; L97-Y144 HydrophobicContact CD1-CD2 3.56Å; L97-Y144 HydrophobicContact CD1-CE1 4.09Å; L97-Y144 HydrophobicContact CD1-CE2 4.01Å; L97-Y144 HydrophobicContact CD1-CG 3.36Å; L97-Y144 HydrophobicContact CG-CD2 4.06Å; L97-Y144 HydrophobicContact CG-CG 4.18Å |
| 98 | T | 98.4 | Very high | 98.1 | Very high | 63 Ų | 63 | 56.3 Ų | 56.3 | 39% | 0.387 | 29% | 0.292 | S | S | . | . | trans | -72.7 | 157.1 | 167.3 | 65.3 | 0 | 0 | 0 | 0 | 109.5 | D100 M101 E102 | T98-D100 PolarHBondContact O-N 3.03Å; T98-D100 VanDerWaalsContact O-N 3.17Å; T98-M101 HydrophobicContact CG2-CE 4.42Å; T98-M101 HydrophobicContact CG2-SD 4.2Å; T98-M101 PolarHBondContact O-N 3.46Å; T98-M101 VanDerWaalsContact O-N 3.1Å; T98-M101 VanDerWaalsContact OG1-CG 3.27Å; T98-M101 WeakPolarHBondContact OG1-CG 3.26Å; T98-M101 PolarHBondContact OG1-N 3.4Å; T98-E102 PolarHBondContact O-N 3.18Å | ||
| 99 | P | 98.4 | Very high | 98.1 | Very high | 104 Ų | 104 | 56 Ų | 56 | 68% | 0.675 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -54.5 | -35.3 | 177.5 | -28.5 | 36 | 0 | 0 | 0 | 113.9 | T103 | P99-T103 WeakPolarHBondContact O-CB 3.29Å; P99-T103 PolarHBondContact O-N 3.47Å; P99-T103 PolarHBondContact O-OG1 3.13Å |
| 100 | D | 98.7 | Very high | 98 | Very high | 65 Ų | 65 | 55 Ų | 55 | 35% | 0.348 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70.1 | -42.8 | 177.5 | -179 | 91.5 | 0 | 0 | 0 | 112.2 | T98 E102 T103 K104 Y128 | T98-D100 PolarHBondContact O-N 3.03Å; T98-D100 VanDerWaalsContact O-N 3.17Å; D100-E102 VanDerWaalsContact C-N 3.35Å; D100-E102 PolarHBondContact O-N 2.87Å; D100-T103 PolarHBondContact O-N 3.26Å; D100-K104 WeakPolarHBondContact O-CB 3.41Å; D100-K104 WeakPolarHBondContact O-CG 3.07Å; D100-K104 PolarHBondContact O-N 2.95Å; D100-K104 WeakPolarHBondContact OD1-CE 3.41Å; D100-K104 IonicContact OD1-NZ 3.99Å; D100-K104 PolarHBondContact OD1-NZ 3.49Å; D100-K104 VanDerWaalsContact OD2-CD 3.27Å; D100-K104 WeakPolarHBondContact OD2-CD 3.39Å; D100-K104 WeakPolarHBondContact OD2-CE 3.22Å; D100-K104 IonicContact OD2-NZ 2.69Å; D100-K104 PolarHBondContact OD2-NZ 2.89Å; D100-Y128 VanDerWaalsContact CG-OH 3.28Å; D100-Y128 PolarHBondContact OD2-OH 2.94Å |
| 101 | M | 98.8 | Very high | 98.1 | Very high | 18 Ų | 18 | 57.2 Ų | 57.2 | 9% | 0.089 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 174.8 | -71 | 167.7 | -179.4 | 0 | 0 | 111.3 | L97 T98 K104 L105 F124 Y128 L137 | L97-M101 HydrophobicContact CB-CB 4.19Å; L97-M101 HydrophobicContact CD2-SD 4.31Å; T98-M101 HydrophobicContact CG2-CE 4.42Å; T98-M101 HydrophobicContact CG2-SD 4.2Å; T98-M101 PolarHBondContact O-N 3.46Å; T98-M101 VanDerWaalsContact O-N 3.1Å; T98-M101 VanDerWaalsContact OG1-CG 3.27Å; T98-M101 WeakPolarHBondContact OG1-CG 3.26Å; T98-M101 PolarHBondContact OG1-N 3.4Å; M101-K104 PolarHBondContact O-N 2.96Å; M101-L105 WeakPolarHBondContact O-CB 3.28Å; M101-L105 PolarHBondContact O-N 3.06Å; M101-F124 HydrophobicContact CB-CE2 4.48Å; M101-F124 HydrophobicContact CB-CZ 4.36Å; M101-F124 HydrophobicContact CG-CZ 4.26Å; M101-Y128 HydrophobicContact CE-CD1 3.28Å; M101-Y128 HydrophobicContact CE-CE1 3.55Å; M101-Y128 HydrophobicContact CE-CG 3.87Å; M101-Y128 HydrophobicContact CG-CD1 4.24Å; M101-Y128 HydrophobicContact CG-CD2 4.11Å; M101-Y128 HydrophobicContact CG-CE1 4.02Å; M101-Y128 HydrophobicContact CG-CE2 3.87Å; M101-Y128 HydrophobicContact CG-CG 4.28Å; M101-L137 HydrophobicContact CE-CD1 4.32Å; M101-L137 HydrophobicContact CE-CD2 3.56Å; M101-L137 HydrophobicContact SD-CD1 4.22Å; M101-L137 HydrophobicContact SD-CD2 4.22Å |
| 102 | E | 98.5 | Very high | 98.1 | Very high | 61 Ų | 61 | 49.7 Ų | 49.7 | 29% | 0.285 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60 | -50.1 | 176.8 | 167.5 | 157.2 | -136.5 | 0 | 0 | 111.2 | T98 D100 K104 L105 L106 Y144 | T98-E102 PolarHBondContact O-N 3.18Å; D100-E102 VanDerWaalsContact C-N 3.35Å; D100-E102 PolarHBondContact O-N 2.87Å; E102-K104 VanDerWaalsContact C-N 3.33Å; E102-K104 PolarHBondContact O-N 3.34Å; E102-L105 PolarHBondContact O-N 2.96Å; E102-L106 HydrophobicContact CG-CD1 3.73Å; E102-L106 HydrophobicContact CG-CG 4.31Å; E102-L106 WeakPolarHBondContact O-CB 3.45Å; E102-L106 VanDerWaalsContact O-CG 3.29Å; E102-L106 WeakPolarHBondContact O-CG 3.47Å; E102-L106 PolarHBondContact O-N 3.23Å; E102-Y144 VanDerWaalsContact CD-OH 3.29Å; E102-Y144 VanDerWaalsContact CG-OH 3.29Å; E102-Y144 WeakPolarHBondContact CG-OH 3.22Å; E102-Y144 PolarHBondContact OE1-OH 3.33Å |
| 103 | T | 98.6 | Very high | 98.1 | Very high | 92 Ų | 92 | 55.1 Ų | 55.1 | 56% | 0.564 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -56.9 | -46.1 | 178.5 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | P99 D100 F107 | P99-T103 WeakPolarHBondContact O-CB 3.29Å; P99-T103 PolarHBondContact O-N 3.47Å; P99-T103 PolarHBondContact O-OG1 3.13Å; D100-T103 PolarHBondContact O-N 3.26Å; T103-F107 VanDerWaalsContact O-CB 3.32Å; T103-F107 WeakPolarHBondContact O-CB 3.46Å; T103-F107 PolarHBondContact O-N 3.49Å |
| 104 | K | 98.8 | Very high | 98.1 | Very high | 65 Ų | 65 | 59.6 Ų | 59.6 | 28% | 0.283 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.1 | -42.8 | 180 | -75.4 | 175 | 177.6 | 156.1 | 0 | 112.5 | D100 M101 E102 F107 M108 F124 Y128 | D100-K104 WeakPolarHBondContact O-CB 3.41Å; D100-K104 WeakPolarHBondContact O-CG 3.07Å; D100-K104 PolarHBondContact O-N 2.95Å; D100-K104 WeakPolarHBondContact OD1-CE 3.41Å; D100-K104 IonicContact OD1-NZ 3.99Å; D100-K104 PolarHBondContact OD1-NZ 3.49Å; D100-K104 VanDerWaalsContact OD2-CD 3.27Å; D100-K104 WeakPolarHBondContact OD2-CD 3.39Å; D100-K104 WeakPolarHBondContact OD2-CE 3.22Å; D100-K104 IonicContact OD2-NZ 2.69Å; D100-K104 PolarHBondContact OD2-NZ 2.89Å; M101-K104 PolarHBondContact O-N 2.96Å; E102-K104 VanDerWaalsContact C-N 3.33Å; E102-K104 PolarHBondContact O-N 3.34Å; K104-F107 PolarHBondContact O-N 3.43Å; K104-M108 VanDerWaalsContact O-CG 3.32Å; K104-M108 WeakPolarHBondContact O-CG 3.37Å; K104-M108 PolarHBondContact O-N 2.99Å; K104-F124 HydrophobicContact CB-CD2 4.02Å; K104-F124 HydrophobicContact CB-CE2 4.13Å; K104-F124 HydrophobicContact CD-CD2 4.38Å; K104-Y128 HydrophobicContact CD-CE2 4.24Å |
| 105 | L | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 176.5 | -81.3 | 179.5 | 0 | 0 | 0 | 111.7 | L97 M101 E102 F107 M108 T109 F124 L141 Y144 I145 I166 | L97-L105 HydrophobicContact CD1-CD1 3.74Å; M101-L105 WeakPolarHBondContact O-CB 3.28Å; M101-L105 PolarHBondContact O-N 3.06Å; E102-L105 PolarHBondContact O-N 2.96Å; L105-F107 VanDerWaalsContact C-N 3.32Å; L105-F107 PolarHBondContact O-N 3.29Å; L105-M108 WeakPolarHBondContact O-CB 3.42Å; L105-M108 PolarHBondContact O-N 2.95Å; L105-T109 PolarHBondContact O-N 3.13Å; L105-T109 PolarHBondContact O-OG1 3Å; L105-T109 VanDerWaalsContact O-OG1 3.07Å; L105-F124 HydrophobicContact CD2-CE2 4.42Å; L105-F124 HydrophobicContact CG-CE2 4.09Å; L105-F124 HydrophobicContact CG-CZ 4.31Å; L105-L141 HydrophobicContact CD1-CD2 3.54Å; L105-L141 HydrophobicContact CG-CD2 4.49Å; L105-Y144 HydrophobicContact CD1-CD1 4.11Å; L105-I145 HydrophobicContact CD2-CD1 4.41Å; L105-I166 HydrophobicContact CD2-CG2 4.3Å |
| 106 | L | 98.3 | Very high | 98.2 | Very high | 67 Ų | 67 | 64.6 Ų | 64.6 | 35% | 0.351 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61 | -43 | 177.7 | -71.7 | 175.8 | 0 | 0 | 0 | 111.2 | E102 M108 T109 S110 V149 | E102-L106 HydrophobicContact CG-CD1 3.73Å; E102-L106 HydrophobicContact CG-CG 4.31Å; E102-L106 WeakPolarHBondContact O-CB 3.45Å; E102-L106 VanDerWaalsContact O-CG 3.29Å; E102-L106 WeakPolarHBondContact O-CG 3.47Å; E102-L106 PolarHBondContact O-N 3.23Å; L106-M108 PolarHBondContact O-N 2.86Å; L106-T109 WeakPolarHBondContact CA-OG1 3.5Å; L106-T109 CarbonylContact O-C 3.46Å; L106-T109 PolarHBondContact O-N 2.87Å; L106-T109 PolarHBondContact O-OG1 3.27Å; L106-T109 VanDerWaalsContact O-OG1 3.1Å; L106-S110 VanDerWaalsContact O-CB 3.31Å; L106-S110 WeakPolarHBondContact O-CB 3.43Å; L106-S110 PolarHBondContact O-N 3.47Å; L106-S110 PolarHBondContact O-OG 2.96Å; L106-V149 HydrophobicContact CD2-CG2 4.21Å |
| 107 | F | 98.6 | Very high | 98.3 | Very high | 89 Ų | 89 | 64 Ų | 64 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.2 | -47.7 | 173.6 | -179.9 | -94.8 | 0 | 0 | 0 | 111.7 | T103 K104 L105 T109 S110 R111 V112 Y120 | T103-F107 VanDerWaalsContact O-CB 3.32Å; T103-F107 WeakPolarHBondContact O-CB 3.46Å; T103-F107 PolarHBondContact O-N 3.49Å; K104-F107 PolarHBondContact O-N 3.43Å; L105-F107 VanDerWaalsContact C-N 3.32Å; L105-F107 PolarHBondContact O-N 3.29Å; F107-T109 VanDerWaalsContact C-N 3.29Å; F107-T109 PolarHBondContact O-N 3.3Å; F107-S110 PolarHBondContact O-N 2.95Å; F107-R111 HydrophobicContact CD2-CB 3.76Å; F107-R111 HydrophobicContact CD2-CG 3.74Å; F107-R111 HydrophobicContact CE1-CB 4.49Å; F107-R111 HydrophobicContact CE2-CB 3.57Å; F107-R111 HydrophobicContact CE2-CG 3.84Å; F107-R111 HydrophobicContact CG-CB 4.31Å; F107-R111 HydrophobicContact CZ-CB 3.97Å; F107-R111 WeakPolarHBondContact O-CB 3.3Å; F107-R111 PolarHBondContact O-N 3.35Å; F107-V112 HydrophobicContact CD1-CG2 3.75Å; F107-V112 HydrophobicContact CE1-CG2 3.49Å; F107-V112 VanDerWaalsContact CE1-CG2 3.49Å; F107-V112 HydrophobicContact CZ-CG2 4.42Å; F107-V112 PolarHBondContact O-N 3.44Å; F107-Y120 HydrophobicContact CD1-CE1 4.41Å; F107-Y120 HydrophobicContact CE1-CD1 4.15Å; F107-Y120 AromaticContact CE1-CE1 3.61Å; F107-Y120 HydrophobicContact CE1-CE1 3.61Å; F107-Y120 HydrophobicContact CZ-CE1 4.49Å |
| 108 | M | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.015 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.9 | -42.8 | 175.7 | -75.2 | 177.5 | 68.4 | 0 | 0 | 111.9 | K104 L105 L106 S110 V112 Q121 L161 I166 W169 | K104-M108 VanDerWaalsContact O-CG 3.32Å; K104-M108 WeakPolarHBondContact O-CG 3.37Å; K104-M108 PolarHBondContact O-N 2.99Å; L105-M108 WeakPolarHBondContact O-CB 3.42Å; L105-M108 PolarHBondContact O-N 2.95Å; L106-M108 PolarHBondContact O-N 2.86Å; M108-S110 PolarHBondContact O-N 2.63Å; M108-V112 HydrophobicContact CG-CG2 4.4Å; M108-Q121 HydrophobicContact CE-CG 3.79Å; M108-L161 HydrophobicContact CB-CD2 4.12Å; M108-L161 HydrophobicContact CE-CD2 3.91Å; M108-I166 HydrophobicContact CB-CD1 4.11Å; M108-I166 HydrophobicContact CE-CD1 4.36Å; M108-W169 HydrophobicContact CE-CZ3 4.29Å |
| 109 | T | 97.8 | Very high | 98.3 | Very high | 8 Ų | 8 | 74.6 Ų | 74.6 | 5% | 0.049 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -84.6 | -1.2 | -177.5 | 55.6 | 0 | 0 | 0 | 0 | 115.6 | L105 L106 F107 V149 I160 I166 | L105-T109 PolarHBondContact O-N 3.13Å; L105-T109 PolarHBondContact O-OG1 3Å; L105-T109 VanDerWaalsContact O-OG1 3.07Å; L106-T109 WeakPolarHBondContact CA-OG1 3.5Å; L106-T109 CarbonylContact O-C 3.46Å; L106-T109 PolarHBondContact O-N 2.87Å; L106-T109 PolarHBondContact O-OG1 3.27Å; L106-T109 VanDerWaalsContact O-OG1 3.1Å; F107-T109 VanDerWaalsContact C-N 3.29Å; F107-T109 PolarHBondContact O-N 3.3Å; T109-V149 HydrophobicContact CG2-CG1 4.11Å; T109-I160 WeakPolarHBondContact O-CG2 3.43Å; T109-I166 HydrophobicContact CG2-CD1 3.33Å |
| 110 | S | 96.9 | Very high | 98.3 | Very high | 40 Ų | 40 | 73.4 Ų | 73.4 | 28% | 0.28 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -132.9 | -16.5 | -175.7 | 63.8 | 0 | 0 | 0 | 0 | 114.9 | L106 F107 M108 | L106-S110 VanDerWaalsContact O-CB 3.31Å; L106-S110 WeakPolarHBondContact O-CB 3.43Å; L106-S110 PolarHBondContact O-N 3.47Å; L106-S110 PolarHBondContact O-OG 2.96Å; F107-S110 PolarHBondContact O-N 2.95Å; M108-S110 PolarHBondContact O-N 2.63Å |
| 111 | R | 97.9 | Very high | 98.3 | Very high | 178 Ų | 178 | 71.5 Ų | 71.5 | 67% | 0.672 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -131.4 | -25.7 | -173.9 | -58.9 | -61.3 | -170.3 | -130.6 | 6.4 | 114.1 | F107 | F107-R111 HydrophobicContact CD2-CB 3.76Å; F107-R111 HydrophobicContact CD2-CG 3.74Å; F107-R111 HydrophobicContact CE1-CB 4.49Å; F107-R111 HydrophobicContact CE2-CB 3.57Å; F107-R111 HydrophobicContact CE2-CG 3.84Å; F107-R111 HydrophobicContact CG-CB 4.31Å; F107-R111 HydrophobicContact CZ-CB 3.97Å; F107-R111 WeakPolarHBondContact O-CB 3.3Å; F107-R111 PolarHBondContact O-N 3.35Å |
| 112 | V | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 73.6 Ų | 73.6 | 2% | 0.024 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 126.4 | -178.1 | 178.2 | 0 | 0 | 0 | 0 | 109.4 | F107 M108 Q117 Y120 I160 L161 | F107-V112 HydrophobicContact CD1-CG2 3.75Å; F107-V112 HydrophobicContact CE1-CG2 3.49Å; F107-V112 VanDerWaalsContact CE1-CG2 3.49Å; F107-V112 HydrophobicContact CZ-CG2 4.42Å; F107-V112 PolarHBondContact O-N 3.44Å; M108-V112 HydrophobicContact CG-CG2 4.4Å; V112-Q117 HydrophobicContact CG1-CB 4.21Å; V112-Y120 HydrophobicContact CG1-CD2 3.83Å; V112-Y120 HydrophobicContact CG1-CE2 3.89Å; V112-Y120 HydrophobicContact CG2-CD1 4.34Å; V112-Y120 HydrophobicContact CG2-CD2 3.92Å; V112-Y120 HydrophobicContact CG2-CE1 4.29Å; V112-Y120 HydrophobicContact CG2-CE2 3.85Å; V112-Y120 HydrophobicContact CG2-CG 4.16Å; V112-I160 CarbonylContact O-C 3.23Å; V112-I160 WeakPolarHBondContact O-CA 3.22Å; V112-L161 HydrophobicContact CB-CB 4.47Å; V112-L161 HydrophobicContact CG1-CD2 4.46Å; V112-L161 WeakPolarHBondContact O-CB 3.4Å; V112-L161 PolarHBondContact O-N 3.29Å |
| 113 | R | 98.4 | Very high | 98.3 | Very high | 153 Ų | 153 | 76.4 Ų | 76.4 | 58% | 0.577 | 35% | 0.351 | S | S | * | . | B | Isolated β-bridge | trans | -72.6 | 143.2 | 173.6 | -67.8 | -178.1 | 173.4 | -173.9 | 2.7 | 111.5 | Q116 D159 | R113-Q116 HydrophobicContact CB-CG 4.3Å; R113-Q116 WeakPolarHBondContact O-CB 3.07Å; R113-Q116 PolarHBondContact O-N 3.39Å; R113-D159 CarbonylContact C-O 2.95Å; R113-D159 WeakPolarHBondContact CA-O 3.27Å; R113-D159 WeakPolarHBondContact CD-OD2 3.39Å; R113-D159 IonicContact CZ-OD2 2.63Å; R113-D159 IonicContact NE-OD1 2.93Å; R113-D159 IonicContact NE-OD2 3.51Å; R113-D159 PolarHBondContact NE-OD2 3.28Å; R113-D159 IonicContact NH1-OD2 3.81Å |
| 114 | F | 98.1 | Very high | 98.3 | Very high | 101 Ų | 101 | 72.1 Ų | 72.1 | 44% | 0.443 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 136.5 | 173 | -170.6 | -126.3 | 0 | 0 | 0 | 110.6 | Q116 D159 L161 P162 W164 A165 | F114-Q116 VanDerWaalsContact C-N 3.34Å; F114-D159 PolarHBondContact N-O 3.1Å; F114-L161 HydrophobicContact CD2-CD1 3.73Å; F114-L161 HydrophobicContact CE2-CD1 4.3Å; F114-P162 HydrophobicContact CD2-CG 4.36Å; F114-W164 HydrophobicContact CE1-CH2 4.36Å; F114-W164 HydrophobicContact CE1-CZ2 4.45Å; F114-W164 HydrophobicContact CE2-CH2 4.15Å; F114-W164 HydrophobicContact CE2-CZ2 4.48Å; F114-W164 AromaticContact CZ-CH2 3.61Å; F114-W164 HydrophobicContact CZ-CH2 3.61Å; F114-W164 HydrophobicContact CZ-CZ2 4.02Å; F114-A165 HydrophobicContact CD2-CB 4.28Å; F114-A165 HydrophobicContact CE2-CB 3.69Å |
| 115 | G | 97.2 | Very high | 98.3 | Very high | 48 Ų | 48 | 72.3 Ų | 72.3 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | -26.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q117 | G115-Q117 VanDerWaalsContact C-OE1 3.3Š|
| 116 | Q | 98.2 | Very high | 98.2 | Very high | 137 Ų | 137 | 81.3 Ų | 81.3 | 64% | 0.64 | 36% | 0.36 | S | S | * | . | trans | -102.1 | 10.3 | -174.4 | -54 | -58.2 | 91.7 | 0 | 0 | 113.7 | R113 F114 K118 Y120 | R113-Q116 HydrophobicContact CB-CG 4.3Å; R113-Q116 WeakPolarHBondContact O-CB 3.07Å; R113-Q116 PolarHBondContact O-N 3.39Å; F114-Q116 VanDerWaalsContact C-N 3.34Å; Q116-K118 PolarHBondContact O-N 3.45Å; Q116-Y120 WeakPolarHBondContact O-CD2 3.35Å; Q116-Y120 WeakPolarHBondContact O-CE2 3.27Å | ||
| 117 | Q | 98.3 | Very high | 98.2 | Very high | 32 Ų | 32 | 83.1 Ų | 83.1 | 15% | 0.15 | 37% | 0.366 | C | S | . | . | trans | -77.4 | -16.3 | -173 | 66.3 | -83.1 | 1.3 | 0 | 0 | 115.7 | V112 G115 R119 Y120 Q121 L161 | V112-Q117 HydrophobicContact CG1-CB 4.21Å; G115-Q117 VanDerWaalsContact C-OE1 3.3Å; Q117-R119 PolarHBondContact O-N 2.86Å; Q117-Y120 PolarHBondContact O-N 3.02Å; Q117-Y120 VanDerWaalsContact O-N 3.1Å; Q117-Q121 HydrophobicContact CB-CG 4.39Å; Q117-Q121 HydrophobicContact CG-CG 4.35Å; Q117-Q121 WeakPolarHBondContact O-CG 3.35Å; Q117-Q121 PolarHBondContact O-N 3.16Å; Q117-L161 HydrophobicContact CB-CD1 3.9Å; Q117-L161 HydrophobicContact CB-CD2 3.64Å; Q117-L161 HydrophobicContact CB-CG 4.35Å; Q117-L161 HydrophobicContact CG-CD1 3.84Å; Q117-L161 HydrophobicContact CG-CD2 4.38Å | ||
| 118 | K | 98.2 | Very high | 98.2 | Very high | 135 Ų | 135 | 80.5 Ų | 80.5 | 59% | 0.587 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -53 | -51.3 | -167.6 | 176.9 | 169.7 | 172.3 | 46.2 | 0 | 113.4 | Q116 Y120 Q121 D122 | Q116-K118 PolarHBondContact O-N 3.45Å; K118-Y120 VanDerWaalsContact C-N 3.32Å; K118-Y120 PolarHBondContact O-N 3.08Å; K118-Q121 PolarHBondContact O-N 3.23Å; K118-D122 WeakPolarHBondContact CG-OD2 3.38Å; K118-D122 IonicContact NZ-OD1 3.77Å; K118-D122 IonicContact NZ-OD2 3.84Å; K118-D122 PolarHBondContact NZ-OD2 3.09Å; K118-D122 WeakPolarHBondContact O-CB 3.28Å; K118-D122 VanDerWaalsContact O-CG 3.23Å; K118-D122 PolarHBondContact O-N 2.83Å |
| 119 | R | 98.3 | Very high | 98.2 | Very high | 166 Ų | 166 | 80.5 Ų | 80.5 | 63% | 0.626 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64 | -37.7 | -177.6 | -169.2 | 176.1 | -174.3 | -169 | -2.7 | 112.2 | Q117 D122 W123 | Q117-R119 PolarHBondContact O-N 2.86Å; R119-D122 PolarHBondContact O-N 3.38Å; R119-W123 HydrophobicContact CG-CD2 4.02Å; R119-W123 HydrophobicContact CG-CE3 4.33Å; R119-W123 HydrophobicContact CG-CH2 4.09Å; R119-W123 HydrophobicContact CG-CZ2 3.77Å; R119-W123 HydrophobicContact CG-CZ3 4.34Å; R119-W123 WeakPolarHBondContact O-CB 3.44Å; R119-W123 PolarHBondContact O-N 3.48Å |
| 120 | Y | 98.7 | Very high | 98.1 | Very high | 78 Ų | 78 | 83.9 Ų | 83.9 | 31% | 0.306 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68 | -41.7 | 177.8 | -56.8 | -80.5 | 0 | 0 | 0 | 111.6 | F107 V112 Q116 Q117 K118 W123 F124 | F107-Y120 HydrophobicContact CD1-CE1 4.41Å; F107-Y120 HydrophobicContact CE1-CD1 4.15Å; F107-Y120 AromaticContact CE1-CE1 3.61Å; F107-Y120 HydrophobicContact CE1-CE1 3.61Å; F107-Y120 HydrophobicContact CZ-CE1 4.49Å; V112-Y120 HydrophobicContact CG1-CD2 3.83Å; V112-Y120 HydrophobicContact CG1-CE2 3.89Å; V112-Y120 HydrophobicContact CG2-CD1 4.34Å; V112-Y120 HydrophobicContact CG2-CD2 3.92Å; V112-Y120 HydrophobicContact CG2-CE1 4.29Å; V112-Y120 HydrophobicContact CG2-CE2 3.85Å; V112-Y120 HydrophobicContact CG2-CG 4.16Å; Q116-Y120 WeakPolarHBondContact O-CD2 3.35Å; Q116-Y120 WeakPolarHBondContact O-CE2 3.27Å; Q117-Y120 PolarHBondContact O-N 3.02Å; Q117-Y120 VanDerWaalsContact O-N 3.1Å; K118-Y120 VanDerWaalsContact C-N 3.32Å; K118-Y120 PolarHBondContact O-N 3.08Å; Y120-W123 HydrophobicContact CD1-CE3 4.08Å; Y120-W123 AromaticContact CD1-CZ3 4Å; Y120-W123 HydrophobicContact CD1-CZ3 4Å; Y120-W123 HydrophobicContact CE1-CZ3 4.04Å; Y120-W123 PolarHBondContact O-N 3.49Å; Y120-F124 WeakPolarHBondContact O-CB 3.26Å; Y120-F124 PolarHBondContact O-N 2.96Å |
| 121 | Q | 98.6 | Very high | 98.1 | Very high | 25 Ų | 25 | 85.1 Ų | 85.1 | 12% | 0.117 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 173.1 | -72 | 177.5 | -24.6 | 0 | 0 | 111.3 | M108 Q117 K118 W123 F124 Q125 W169 | M108-Q121 HydrophobicContact CE-CG 3.79Å; Q117-Q121 HydrophobicContact CB-CG 4.39Å; Q117-Q121 HydrophobicContact CG-CG 4.35Å; Q117-Q121 WeakPolarHBondContact O-CG 3.35Å; Q117-Q121 PolarHBondContact O-N 3.16Å; K118-Q121 PolarHBondContact O-N 3.23Å; Q121-W123 VanDerWaalsContact C-N 3.32Å; Q121-W123 PolarHBondContact O-N 3.35Å; Q121-F124 PolarHBondContact O-N 3.36Å; Q121-Q125 WeakPolarHBondContact O-CB 3.49Å; Q121-Q125 PolarHBondContact O-N 3.49Å; Q121-W169 HydrophobicContact CB-CD2 4.12Å; Q121-W169 HydrophobicContact CB-CH2 4.35Å; Q121-W169 HydrophobicContact CB-CZ2 3.76Å; Q121-W169 HydrophobicContact CG-CD2 3.68Å; Q121-W169 HydrophobicContact CG-CE3 3.95Å; Q121-W169 HydrophobicContact CG-CG 4.11Å; Q121-W169 HydrophobicContact CG-CH2 4.29Å; Q121-W169 HydrophobicContact CG-CZ2 4.05Å; Q121-W169 HydrophobicContact CG-CZ3 4.24Å; Q121-W169 WeakPolarHBondContact O-CZ2 3.37Å |
| 122 | D | 98.5 | Very high | 97.8 | Very high | 63 Ų | 63 | 81.6 Ų | 81.6 | 34% | 0.337 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 179.3 | -69.3 | -21.9 | 0 | 0 | 0 | 111.3 | K118 R119 R126 | K118-D122 WeakPolarHBondContact CG-OD2 3.38Å; K118-D122 IonicContact NZ-OD1 3.77Å; K118-D122 IonicContact NZ-OD2 3.84Å; K118-D122 PolarHBondContact NZ-OD2 3.09Å; K118-D122 WeakPolarHBondContact O-CB 3.28Å; K118-D122 VanDerWaalsContact O-CG 3.23Å; K118-D122 PolarHBondContact O-N 2.83Å; R119-D122 PolarHBondContact O-N 3.38Å; D122-R126 WeakPolarHBondContact O-CB 3.31Å; D122-R126 PolarHBondContact O-N 3.46Å |
| 123 | W | 98.6 | Very high | 97.5 | Very high | 120 Ų | 120 | 86.4 Ų | 86.4 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65 | -49.1 | 174.4 | -70.7 | -24.2 | 0 | 0 | 0 | 112.9 | R119 Y120 Q121 Q125 R126 Q127 | R119-W123 HydrophobicContact CG-CD2 4.02Å; R119-W123 HydrophobicContact CG-CE3 4.33Å; R119-W123 HydrophobicContact CG-CH2 4.09Å; R119-W123 HydrophobicContact CG-CZ2 3.77Å; R119-W123 HydrophobicContact CG-CZ3 4.34Å; R119-W123 WeakPolarHBondContact O-CB 3.44Å; R119-W123 PolarHBondContact O-N 3.48Å; Y120-W123 HydrophobicContact CD1-CE3 4.08Å; Y120-W123 AromaticContact CD1-CZ3 4Å; Y120-W123 HydrophobicContact CD1-CZ3 4Å; Y120-W123 HydrophobicContact CE1-CZ3 4.04Å; Y120-W123 PolarHBondContact O-N 3.49Å; Q121-W123 VanDerWaalsContact C-N 3.32Å; Q121-W123 PolarHBondContact O-N 3.35Å; W123-Q125 VanDerWaalsContact C-N 3.32Å; W123-Q125 PolarHBondContact O-N 2.93Å; W123-R126 PolarHBondContact O-N 2.88Å; W123-Q127 WeakPolarHBondContact O-CB 3.44Å; W123-Q127 PolarHBondContact O-N 2.77Å; W123-Q127 VanDerWaalsContact O-N 3.12Å |
| 124 | F | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 79.8 Ų | 79.8 | 1% | 0.009 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 179.2 | -165.8 | -75.2 | 0 | 0 | 0 | 110.8 | M101 K104 L105 Y120 Q121 Q127 Y128 L129 L141 W169 | M101-F124 HydrophobicContact CB-CE2 4.48Å; M101-F124 HydrophobicContact CB-CZ 4.36Å; M101-F124 HydrophobicContact CG-CZ 4.26Å; K104-F124 HydrophobicContact CB-CD2 4.02Å; K104-F124 HydrophobicContact CB-CE2 4.13Å; K104-F124 HydrophobicContact CD-CD2 4.38Å; L105-F124 HydrophobicContact CD2-CE2 4.42Å; L105-F124 HydrophobicContact CG-CE2 4.09Å; L105-F124 HydrophobicContact CG-CZ 4.31Å; Y120-F124 WeakPolarHBondContact O-CB 3.26Å; Y120-F124 PolarHBondContact O-N 2.96Å; Q121-F124 PolarHBondContact O-N 3.36Å; F124-Q127 PolarHBondContact O-N 3.11Å; F124-Y128 AromaticContact CD1-CD2 3.93Å; F124-Y128 HydrophobicContact CD1-CD2 3.93Å; F124-Y128 AromaticContact CD2-CD2 3.94Å; F124-Y128 HydrophobicContact CD2-CD2 3.94Å; F124-Y128 HydrophobicContact CD2-CE2 4.32Å; F124-Y128 AromaticContact CE1-CD2 3.79Å; F124-Y128 HydrophobicContact CE1-CD2 3.79Å; F124-Y128 HydrophobicContact CE1-CG 4.24Å; F124-Y128 AromaticContact CE2-CD2 3.82Å; F124-Y128 HydrophobicContact CE2-CD2 3.82Å; F124-Y128 HydrophobicContact CE2-CE2 4.15Å; F124-Y128 AromaticContact CG-CD2 3.99Å; F124-Y128 HydrophobicContact CG-CD2 3.99Å; F124-Y128 AromaticContact CZ-CD2 3.73Å; F124-Y128 HydrophobicContact CZ-CD2 3.73Å; F124-Y128 HydrophobicContact CZ-CE2 4.41Å; F124-Y128 HydrophobicContact CZ-CG 4.42Å; F124-Y128 WeakPolarHBondContact O-CB 3.37Å; F124-Y128 PolarHBondContact O-N 3.4Å; F124-L129 HydrophobicContact CD1-CD1 3.98Å; F124-L129 HydrophobicContact CD1-CG 4.28Å; F124-L129 HydrophobicContact CE1-CD1 4.14Å; F124-L129 HydrophobicContact CE1-CG 4.29Å; F124-L141 HydrophobicContact CE1-CD1 3.87Å; F124-L141 HydrophobicContact CE1-CD2 4.26Å; F124-L141 HydrophobicContact CZ-CD1 4.29Å; F124-L141 HydrophobicContact CZ-CD2 3.84Å; F124-W169 HydrophobicContact CB-CH2 3.96Å; F124-W169 AromaticContact CD1-CH2 3.81Å; F124-W169 HydrophobicContact CD1-CH2 3.81Å; F124-W169 HydrophobicContact CG-CH2 4.07Å |
| 125 | Q | 98.4 | Very high | 97.3 | Very high | 68 Ų | 68 | 75.8 Ų | 75.8 | 32% | 0.318 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 178.8 | -179.1 | 169.1 | -24.3 | 0 | 0 | 111.9 | Q121 W123 Q127 L129 S130 W169 | Q121-Q125 WeakPolarHBondContact O-CB 3.49Å; Q121-Q125 PolarHBondContact O-N 3.49Å; W123-Q125 VanDerWaalsContact C-N 3.32Å; W123-Q125 PolarHBondContact O-N 2.93Å; Q125-Q127 PolarHBondContact O-N 2.99Å; Q125-L129 HydrophobicContact CG-CB 4.29Å; Q125-L129 CarbonylContact O-C 3.52Å; Q125-L129 WeakPolarHBondContact O-CA 3.45Å; Q125-L129 PolarHBondContact O-N 2.95Å; Q125-S130 PolarHBondContact O-N 3.28Å; Q125-S130 VanDerWaalsContact O-N 3.14Å; Q125-W169 HydrophobicContact CB-CZ2 4.17Å |
| 126 | R | 98.1 | Very high | 97.2 | Very high | 190 Ų | 190 | 74.7 Ų | 74.7 | 72% | 0.717 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.4 | -36.6 | 178.7 | -176.6 | -177.9 | -63.5 | 170.5 | -0.8 | 112.2 | D122 W123 S130 | D122-R126 WeakPolarHBondContact O-CB 3.31Å; D122-R126 PolarHBondContact O-N 3.46Å; W123-R126 PolarHBondContact O-N 2.88Å; R126-S130 PolarHBondContact O-OG 3.14Å; R126-S130 VanDerWaalsContact O-OG 3.08Å |
| 127 | Q | 98.4 | Very high | 97.2 | Very high | 105 Ų | 105 | 69.2 Ų | 69.2 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -82.4 | -37.4 | -176.5 | -169.7 | 174.6 | -4.7 | 0 | 0 | 112.7 | W123 F124 Q125 | W123-Q127 WeakPolarHBondContact O-CB 3.44Å; W123-Q127 PolarHBondContact O-N 2.77Å; W123-Q127 VanDerWaalsContact O-N 3.12Å; F124-Q127 PolarHBondContact O-N 3.11Å; Q125-Q127 PolarHBondContact O-N 2.99Å |
| 128 | Y | 98.5 | Very high | 97.2 | Very high | 35 Ų | 35 | 67.8 Ų | 67.8 | 14% | 0.137 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -122.7 | -18.8 | -165 | -63.6 | -53.6 | 0 | 0 | 0 | 115.9 | D100 M101 K104 F124 S134 | D100-Y128 VanDerWaalsContact CG-OH 3.28Å; D100-Y128 PolarHBondContact OD2-OH 2.94Å; M101-Y128 HydrophobicContact CE-CD1 3.28Å; M101-Y128 HydrophobicContact CE-CE1 3.55Å; M101-Y128 HydrophobicContact CE-CG 3.87Å; M101-Y128 HydrophobicContact CG-CD1 4.24Å; M101-Y128 HydrophobicContact CG-CD2 4.11Å; M101-Y128 HydrophobicContact CG-CE1 4.02Å; M101-Y128 HydrophobicContact CG-CE2 3.87Å; M101-Y128 HydrophobicContact CG-CG 4.28Å; K104-Y128 HydrophobicContact CD-CE2 4.24Å; F124-Y128 AromaticContact CD1-CD2 3.93Å; F124-Y128 HydrophobicContact CD1-CD2 3.93Å; F124-Y128 AromaticContact CD2-CD2 3.94Å; F124-Y128 HydrophobicContact CD2-CD2 3.94Å; F124-Y128 HydrophobicContact CD2-CE2 4.32Å; F124-Y128 AromaticContact CE1-CD2 3.79Å; F124-Y128 HydrophobicContact CE1-CD2 3.79Å; F124-Y128 HydrophobicContact CE1-CG 4.24Å; F124-Y128 AromaticContact CE2-CD2 3.82Å; F124-Y128 HydrophobicContact CE2-CD2 3.82Å; F124-Y128 HydrophobicContact CE2-CE2 4.15Å; F124-Y128 AromaticContact CG-CD2 3.99Å; F124-Y128 HydrophobicContact CG-CD2 3.99Å; F124-Y128 AromaticContact CZ-CD2 3.73Å; F124-Y128 HydrophobicContact CZ-CD2 3.73Å; F124-Y128 HydrophobicContact CZ-CE2 4.41Å; F124-Y128 HydrophobicContact CZ-CG 4.42Å; F124-Y128 WeakPolarHBondContact O-CB 3.37Å; F124-Y128 PolarHBondContact O-N 3.4Å; Y128-S134 WeakPolarHBondContact O-CB 3.38Å |
| 129 | L | 98.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -129.3 | 10.5 | -166.1 | -56.4 | 176.9 | 0 | 0 | 0 | 113.7 | F124 Q125 S134 L137 R138 L141 W169 L170 | F124-L129 HydrophobicContact CD1-CD1 3.98Å; F124-L129 HydrophobicContact CD1-CG 4.28Å; F124-L129 HydrophobicContact CE1-CD1 4.14Å; F124-L129 HydrophobicContact CE1-CG 4.29Å; Q125-L129 HydrophobicContact CG-CB 4.29Å; Q125-L129 CarbonylContact O-C 3.52Å; Q125-L129 WeakPolarHBondContact O-CA 3.45Å; Q125-L129 PolarHBondContact O-N 2.95Å; L129-S134 VanDerWaalsContact CA-OG 3.28Å; L129-S134 WeakPolarHBondContact CA-OG 3.46Å; L129-S134 PolarHBondContact O-OG 3.16Å; L129-L137 HydrophobicContact CD2-CB 4.4Å; L129-L137 HydrophobicContact CD2-CD2 4.04Å; L129-L137 HydrophobicContact CD2-CG 4.38Å; L129-R138 HydrophobicContact CD2-CG 4.13Å; L129-R138 PolarHBondContact O-NH2 2.91Å; L129-L141 HydrophobicContact CD1-CD1 4.35Å; L129-L141 HydrophobicContact CD2-CD1 3.84Å; L129-W169 HydrophobicContact CD1-CH2 4.24Å; L129-W169 HydrophobicContact CD1-CZ2 4.29Å; L129-L170 HydrophobicContact CD1-CD2 3.74Å |
| 130 | S | 96.1 | Very high | 97.3 | Very high | 78 Ų | 78 | 54.2 Ų | 54.2 | 55% | 0.545 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -93.9 | -1.5 | -171.4 | 61.1 | 0 | 0 | 0 | 0 | 115.1 | Q125 R126 | Q125-S130 PolarHBondContact O-N 3.28Å; Q125-S130 VanDerWaalsContact O-N 3.14Å; R126-S130 PolarHBondContact O-OG 3.14Å; R126-S130 VanDerWaalsContact O-OG 3.08Å |
| 131 | T | 95.6 | Very high | 97.3 | Very high | 66 Ų | 66 | 50.5 Ų | 50.5 | 41% | 0.405 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -110 | 156.3 | 179.4 | 69 | 0 | 0 | 0 | 0 | 111.7 | D133 S134 | T131-D133 VanDerWaalsContact C-N 3.26Å; T131-D133 PolarHBondContact O-N 2.97Å; T131-S134 PolarHBondContact N-OG 3.09Å; T131-S134 PolarHBondContact O-N 3.28Å; T131-S134 PolarHBondContact O-OG 3.27Å; T131-S134 VanDerWaalsContact OG1-CB 3.31Å; T131-S134 WeakPolarHBondContact OG1-CB 3.23Å; T131-S134 PolarHBondContact OG1-N 3.44Å; T131-S134 VanDerWaalsContact OG1-N 3.11Å; T131-S134 PolarHBondContact OG1-OG 3.16Å |
| 132 | P | 92.3 | Very high | 97.3 | Very high | 105 Ų | 105 | 49.3 Ų | 49.3 | 68% | 0.682 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -55.8 | -40.2 | 171.3 | -25.5 | 35.6 | 0 | 0 | 0 | 112.8 | S134 Q135 | P132-S134 VanDerWaalsContact C-N 3.27Å; P132-S134 PolarHBondContact O-N 3.16Å; P132-Q135 WeakPolarHBondContact O-CB 3.49Å; P132-Q135 WeakPolarHBondContact O-CG 3.23Å; P132-Q135 PolarHBondContact O-N 2.76Å |
| 133 | D | 92.4 | Very high | 97.3 | Very high | 105 Ų | 105 | 46.5 Ų | 46.5 | 56% | 0.561 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -69.9 | -25.6 | -178.9 | -49.4 | -50.9 | 0 | 0 | 0 | 112.3 | T131 Q135 S136 | T131-D133 VanDerWaalsContact C-N 3.26Å; T131-D133 PolarHBondContact O-N 2.97Å; D133-Q135 PolarHBondContact O-N 3.04Å; D133-S136 PolarHBondContact O-OG 3.49Å |
| 134 | S | 95.1 | Very high | 97.3 | Very high | 14 Ų | 14 | 40.9 Ų | 40.9 | 10% | 0.098 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -73 | -3.3 | 178.2 | 72.4 | 0 | 0 | 0 | 0 | 114.9 | Y128 L129 T131 P132 S136 L137 R138 | Y128-S134 WeakPolarHBondContact O-CB 3.38Å; L129-S134 VanDerWaalsContact CA-OG 3.28Å; L129-S134 WeakPolarHBondContact CA-OG 3.46Å; L129-S134 PolarHBondContact O-OG 3.16Å; T131-S134 PolarHBondContact N-OG 3.09Å; T131-S134 PolarHBondContact O-N 3.28Å; T131-S134 PolarHBondContact O-OG 3.27Å; T131-S134 VanDerWaalsContact OG1-CB 3.31Å; T131-S134 WeakPolarHBondContact OG1-CB 3.23Å; T131-S134 PolarHBondContact OG1-N 3.44Å; T131-S134 VanDerWaalsContact OG1-N 3.11Å; T131-S134 PolarHBondContact OG1-OG 3.16Å; P132-S134 VanDerWaalsContact C-N 3.27Å; P132-S134 PolarHBondContact O-N 3.16Å; S134-S136 VanDerWaalsContact C-N 3.28Å; S134-S136 PolarHBondContact O-N 3.42Å; S134-L137 WeakPolarHBondContact O-CB 3.37Å; S134-L137 PolarHBondContact O-N 3.28Å; S134-R138 PolarHBondContact O-NH1 2.9Å |
| 135 | Q | 96.2 | Very high | 97.3 | Very high | 16 Ų | 16 | 40.8 Ų | 40.8 | 8% | 0.075 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -62.6 | -35.5 | -178.6 | -69.1 | -61.7 | -50.9 | 0 | 0 | 112.4 | P132 D133 L137 R138 T175 A179 | P132-Q135 WeakPolarHBondContact O-CB 3.49Å; P132-Q135 WeakPolarHBondContact O-CG 3.23Å; P132-Q135 PolarHBondContact O-N 2.76Å; D133-Q135 PolarHBondContact O-N 3.04Å; Q135-L137 VanDerWaalsContact C-N 3.27Å; Q135-L137 PolarHBondContact O-N 2.87Å; Q135-R138 VanDerWaalsContact NE2-CZ 3.31Å; Q135-R138 PolarHBondContact O-N 2.99Å; Q135-T175 PolarHBondContact NE2-OG1 3.48Å; Q135-T175 VanDerWaalsContact NE2-OG1 3.08Å; Q135-A179 HydrophobicContact CB-CB 3.83Å; Q135-A179 HydrophobicContact CG-CB 4.31Å |
| 136 | S | 95.6 | Very high | 97.3 | Very high | 25 Ų | 25 | 37.6 Ų | 37.6 | 18% | 0.175 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -32 | 179.8 | 63.1 | 0 | 0 | 0 | 0 | 112.9 | R6 D10 D133 S134 R138 C139 | R6-S136 PolarHBondContact NH1-OG 3.43Å; R6-S136 VanDerWaalsContact NH2-CB 3.34Å; R6-S136 PolarHBondContact NH2-O 3.2Å; R6-S136 PolarHBondContact NH2-OG 3.17Å; D10-S136 WeakPolarHBondContact OD1-CB 3.47Å; D10-S136 PolarHBondContact OD1-OG 3.39Å; D10-S136 PolarHBondContact OD2-OG 2.88Å; D133-S136 PolarHBondContact O-OG 3.49Å; S134-S136 VanDerWaalsContact C-N 3.28Å; S134-S136 PolarHBondContact O-N 3.42Å; S136-R138 PolarHBondContact O-N 3.36Å; S136-C139 PolarHBondContact O-N 2.95Å |
| 137 | L | 98.3 | Very high | 97.3 | Very high | 22 Ų | 22 | 28.8 Ų | 28.8 | 12% | 0.115 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61 | -28.6 | -178.4 | -176.4 | 62.4 | 0 | 0 | 0 | 113.1 | L97 M101 L129 S134 Q135 C139 D140 L141 | L97-L137 HydrophobicContact CD2-CD1 4.38Å; M101-L137 HydrophobicContact CE-CD1 4.32Å; M101-L137 HydrophobicContact CE-CD2 3.56Å; M101-L137 HydrophobicContact SD-CD1 4.22Å; M101-L137 HydrophobicContact SD-CD2 4.22Å; L129-L137 HydrophobicContact CD2-CB 4.4Å; L129-L137 HydrophobicContact CD2-CD2 4.04Å; L129-L137 HydrophobicContact CD2-CG 4.38Å; S134-L137 WeakPolarHBondContact O-CB 3.37Å; S134-L137 PolarHBondContact O-N 3.28Å; Q135-L137 VanDerWaalsContact C-N 3.27Å; Q135-L137 PolarHBondContact O-N 2.87Å; L137-C139 PolarHBondContact O-N 3.38Å; L137-D140 HydrophobicContact CD1-CB 4.48Å; L137-D140 PolarHBondContact O-N 3.29Å; L137-L141 HydrophobicContact CD2-CD1 4.42Å; L137-L141 HydrophobicContact CG-CD1 4.05Å; L137-L141 HydrophobicContact CG-CG 4.17Å; L137-L141 WeakPolarHBondContact O-CG 3.21Å; L137-L141 PolarHBondContact O-N 2.96Å |
| 138 | R | 98.6 | Very high | 97.3 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 1% | 0.011 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.8 | -35.6 | 179.4 | -70.8 | 169.2 | 175.6 | 69.1 | -8.2 | 112.1 | L129 S134 Q135 S136 L141 I142 T173 | L129-R138 HydrophobicContact CD2-CG 4.13Å; L129-R138 PolarHBondContact O-NH2 2.91Å; S134-R138 PolarHBondContact O-NH1 2.9Å; Q135-R138 VanDerWaalsContact NE2-CZ 3.31Å; Q135-R138 PolarHBondContact O-N 2.99Å; S136-R138 PolarHBondContact O-N 3.36Å; R138-L141 PolarHBondContact O-N 3.18Å; R138-I142 WeakPolarHBondContact O-CB 3.5Å; R138-I142 WeakPolarHBondContact O-CD1 3.28Å; R138-I142 VanDerWaalsContact O-CG1 3.22Å; R138-I142 WeakPolarHBondContact O-CG1 3.19Å; R138-I142 PolarHBondContact O-N 2.87Å; R138-T173 PolarHBondContact NE-O 2.96Å; R138-T173 PolarHBondContact NE-OG1 2.91Å; R138-T173 PolarHBondContact NH2-O 2.99Å; R138-T173 PolarHBondContact NH2-OG1 2.96Å |
| 139 | C | 98.6 | Very high | 97.3 | Very high | 10 Ų | 10 | 23.9 Ų | 23.9 | 7% | 0.068 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.4 | -44.1 | 177.3 | -64.4 | 0 | 0 | 0 | 0 | 111.1 | S136 L137 I142 R143 A186 | S136-C139 PolarHBondContact O-N 2.95Å; L137-C139 PolarHBondContact O-N 3.38Å; C139-I142 PolarHBondContact O-N 3.27Å; C139-R143 VanDerWaalsContact O-CG 3.3Å; C139-R143 WeakPolarHBondContact O-CG 3.42Å; C139-R143 PolarHBondContact O-N 2.74Å; C139-A186 HydrophobicContact CB-CB 4.22Å |
| 140 | D | 98.8 | Very high | 97.3 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 3% | 0.032 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.9 | -40.7 | -179.8 | -52.2 | -52.2 | 0 | 0 | 0 | 111.3 | R6 R96 L97 L137 R143 Y144 | R6-D140 IonicContact CZ-OD2 3.16Å; R6-D140 IonicContact NE-OD1 3.76Å; R6-D140 PolarHBondContact NE-OD1 2.92Å; R6-D140 IonicContact NE-OD2 3.59Å; R6-D140 PolarHBondContact NE-OD2 3.48Å; R6-D140 IonicContact NH2-OD2 2.8Å; R6-D140 PolarHBondContact NH2-OD2 3.49Å; R96-D140 HydrophobicContact CB-CB 4Å; L97-D140 HydrophobicContact CD2-CB 4.37Å; L137-D140 HydrophobicContact CD1-CB 4.48Å; L137-D140 PolarHBondContact O-N 3.29Å; D140-R143 PolarHBondContact O-N 3.35Å; D140-Y144 VanDerWaalsContact O-CB 3.29Å; D140-Y144 WeakPolarHBondContact O-CB 3.15Å; D140-Y144 PolarHBondContact O-N 3.21Å |
| 141 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 174.8 | -62.9 | 168.7 | 0 | 0 | 0 | 111.5 | L97 L105 F124 L129 L137 R138 Y144 I145 L170 | L97-L141 HydrophobicContact CD1-CD2 4.06Å; L97-L141 HydrophobicContact CD2-CD2 3.53Å; L97-L141 HydrophobicContact CD2-CG 4.25Å; L97-L141 HydrophobicContact CG-CD2 4.49Å; L105-L141 HydrophobicContact CD1-CD2 3.54Å; L105-L141 HydrophobicContact CG-CD2 4.49Å; F124-L141 HydrophobicContact CE1-CD1 3.87Å; F124-L141 HydrophobicContact CE1-CD2 4.26Å; F124-L141 HydrophobicContact CZ-CD1 4.29Å; F124-L141 HydrophobicContact CZ-CD2 3.84Å; L129-L141 HydrophobicContact CD1-CD1 4.35Å; L129-L141 HydrophobicContact CD2-CD1 3.84Å; L137-L141 HydrophobicContact CD2-CD1 4.42Å; L137-L141 HydrophobicContact CG-CD1 4.05Å; L137-L141 HydrophobicContact CG-CG 4.17Å; L137-L141 WeakPolarHBondContact O-CG 3.21Å; L137-L141 PolarHBondContact O-N 2.96Å; R138-L141 PolarHBondContact O-N 3.18Å; L141-Y144 PolarHBondContact O-N 3.19Å; L141-I145 WeakPolarHBondContact O-CB 3.45Å; L141-I145 WeakPolarHBondContact O-CD1 3.33Å; L141-I145 VanDerWaalsContact O-CG1 3.23Å; L141-I145 WeakPolarHBondContact O-CG1 3.47Å; L141-I145 PolarHBondContact O-N 3.32Å; L141-L170 HydrophobicContact CB-CD1 3.85Å; L141-L170 HydrophobicContact CD1-CD2 4Å |
| 142 | I | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.6 | -48.1 | 176.9 | -72.6 | 168 | 0 | 0 | 0 | 110.7 | R138 C139 Y144 I145 C146 I167 L170 L171 A183 A186 L187 | R138-I142 WeakPolarHBondContact O-CB 3.5Å; R138-I142 WeakPolarHBondContact O-CD1 3.28Å; R138-I142 VanDerWaalsContact O-CG1 3.22Å; R138-I142 WeakPolarHBondContact O-CG1 3.19Å; R138-I142 PolarHBondContact O-N 2.87Å; C139-I142 PolarHBondContact O-N 3.27Å; I142-Y144 VanDerWaalsContact C-N 3.31Å; I142-Y144 PolarHBondContact O-N 3.48Å; I142-I145 PolarHBondContact O-N 2.91Å; I142-C146 PolarHBondContact O-N 3.2Å; I142-C146 PolarHBondContact O-SG 3.42Å; I142-C146 VanDerWaalsContact O-SG 3.4Å; I142-I167 HydrophobicContact CB-CD1 4.17Å; I142-I167 HydrophobicContact CG1-CD1 3.89Å; I142-I167 HydrophobicContact CG2-CD1 4.1Å; I142-L170 HydrophobicContact CG1-CD1 4.08Å; I142-L171 HydrophobicContact CD1-CD2 4.37Å; I142-A183 HydrophobicContact CD1-CB 3.63Å; I142-A186 HydrophobicContact CB-CB 4.48Å; I142-A186 HydrophobicContact CG2-CB 4.08Å; I142-L187 HydrophobicContact CG2-CB 3.94Å; I142-L187 HydrophobicContact CG2-CD1 4.36Å |
| 143 | R | 98.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.9 | -39.8 | 177.9 | -66.3 | -54.9 | -63.5 | 134.9 | 1.5 | 111.8 | D45 L93 C139 D140 G147 A186 D190 | D45-R143 IonicContact OD1-NE 2.83Å; D45-R143 PolarHBondContact OD1-NE 3.35Å; D45-R143 VanDerWaalsContact OD1-NE 3.11Å; D45-R143 IonicContact OD2-CZ 3.24Å; D45-R143 IonicContact OD2-NE 3.99Å; D45-R143 PolarHBondContact OD2-NE 3.43Å; D45-R143 IonicContact OD2-NH2 2.69Å; D45-R143 PolarHBondContact OD2-NH2 3.02Å; L93-R143 HydrophobicContact CD2-CB 4.2Å; C139-R143 VanDerWaalsContact O-CG 3.3Å; C139-R143 WeakPolarHBondContact O-CG 3.42Å; C139-R143 PolarHBondContact O-N 2.74Å; D140-R143 PolarHBondContact O-N 3.35Å; R143-G147 PolarHBondContact O-N 2.87Å; R143-A186 WeakPolarHBondContact CD-O 3.43Å; R143-A186 HydrophobicContact CG-CB 4.13Å; R143-A186 PolarHBondContact NH1-O 3.1Å; R143-D190 IonicContact CZ-OD2 2.86Å; R143-D190 VanDerWaalsContact CZ-OD2 3.26Å; R143-D190 IonicContact NH1-OD2 3.41Å; R143-D190 PolarHBondContact NH1-OD2 3.07Å; R143-D190 IonicContact NH2-OD1 2.68Å; R143-D190 PolarHBondContact NH2-OD1 3.05Å; R143-D190 IonicContact NH2-OD2 3.25Å; R143-D190 PolarHBondContact NH2-OD2 3.41Å |
| 144 | Y | 98.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.7 | -49 | 175.5 | -177.8 | -88.4 | 0 | 0 | 0 | 111.8 | A94 L97 E102 L105 D140 L141 I142 C146 V148 V149 | A94-Y144 HydrophobicContact CB-CD2 4.39Å; A94-Y144 HydrophobicContact CB-CE2 4.03Å; L97-Y144 HydrophobicContact CD1-CD1 3.63Å; L97-Y144 HydrophobicContact CD1-CD2 3.56Å; L97-Y144 HydrophobicContact CD1-CE1 4.09Å; L97-Y144 HydrophobicContact CD1-CE2 4.01Å; L97-Y144 HydrophobicContact CD1-CG 3.36Å; L97-Y144 HydrophobicContact CG-CD2 4.06Å; L97-Y144 HydrophobicContact CG-CG 4.18Å; E102-Y144 VanDerWaalsContact CD-OH 3.29Å; E102-Y144 VanDerWaalsContact CG-OH 3.29Å; E102-Y144 WeakPolarHBondContact CG-OH 3.22Å; E102-Y144 PolarHBondContact OE1-OH 3.33Å; L105-Y144 HydrophobicContact CD1-CD1 4.11Å; D140-Y144 VanDerWaalsContact O-CB 3.29Å; D140-Y144 WeakPolarHBondContact O-CB 3.15Å; D140-Y144 PolarHBondContact O-N 3.21Å; L141-Y144 PolarHBondContact O-N 3.19Å; I142-Y144 VanDerWaalsContact C-N 3.31Å; I142-Y144 PolarHBondContact O-N 3.48Å; Y144-C146 VanDerWaalsContact C-N 3.33Å; Y144-C146 PolarHBondContact O-N 2.85Å; Y144-V148 HydrophobicContact CD2-CB 3.92Å; Y144-V148 HydrophobicContact CD2-CG1 4.22Å; Y144-V148 HydrophobicContact CD2-CG2 3.78Å; Y144-V148 HydrophobicContact CE2-CB 3.92Å; Y144-V148 HydrophobicContact CE2-CG1 3.7Å; Y144-V148 HydrophobicContact CE2-CG2 4.1Å; Y144-V148 HydrophobicContact CG-CB 4.23Å; Y144-V148 HydrophobicContact CG-CG2 4.3Å; Y144-V148 WeakPolarHBondContact O-CA 3.35Å; Y144-V148 VanDerWaalsContact O-CB 3.23Å; Y144-V148 WeakPolarHBondContact O-CB 3.5Å; Y144-V148 PolarHBondContact O-N 3.39Å; Y144-V149 HydrophobicContact CD1-CG2 3.74Å; Y144-V149 HydrophobicContact CE1-CG2 3.39Å; Y144-V149 PolarHBondContact O-N 2.99Å |
| 145 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -41.4 | 179.7 | -68.2 | 161.5 | 0 | 0 | 0 | 111.4 | L105 L141 I142 R163 I166 I167 L170 | L105-I145 HydrophobicContact CD2-CD1 4.41Å; L141-I145 WeakPolarHBondContact O-CB 3.45Å; L141-I145 WeakPolarHBondContact O-CD1 3.33Å; L141-I145 VanDerWaalsContact O-CG1 3.23Å; L141-I145 WeakPolarHBondContact O-CG1 3.47Å; L141-I145 PolarHBondContact O-N 3.32Å; I142-I145 PolarHBondContact O-N 2.91Å; I145-R163 HydrophobicContact CG2-CB 3.83Å; I145-R163 HydrophobicContact CG2-CG 4.22Å; I145-R163 PolarHBondContact O-NH1 2.73Å; I145-R163 VanDerWaalsContact O-NH1 3.08Å; I145-I166 HydrophobicContact CD1-CB 4.28Å; I145-I166 HydrophobicContact CD1-CG2 3.55Å; I145-I167 HydrophobicContact CB-CD1 3.94Å; I145-I167 HydrophobicContact CD1-CD1 3.97Å; I145-I167 HydrophobicContact CG2-CD1 3.8Å; I145-I167 HydrophobicContact CG2-CG1 4.02Å; I145-L170 HydrophobicContact CD1-CD1 3.68Å |
| 146 | C | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.6 | -49.3 | 179.3 | -66.9 | 0 | 0 | 0 | 0 | 112.3 | I142 Y144 H150 R163 N203 | I142-C146 PolarHBondContact O-N 3.2Å; I142-C146 PolarHBondContact O-SG 3.42Å; I142-C146 VanDerWaalsContact O-SG 3.4Å; Y144-C146 VanDerWaalsContact C-N 3.33Å; Y144-C146 PolarHBondContact O-N 2.85Å; C146-H150 PolarHBondContact O-NE2 3.35Å; C146-R163 PolarHBondContact O-NH1 2.88Å; C146-N203 PolarHBondContact O-OD1 3.22Å |
| 147 | G | 98.1 | Very high | 97.2 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -92.4 | -21.9 | -169 | 0 | 0 | 0 | 0 | 0 | 115.8 | R90 R143 | R90-G147 WeakPolarHBondContact CG-O 3.44Å; R90-G147 PolarHBondContact NE-O 3.36Å; R143-G147 PolarHBondContact O-N 2.87Å |
| 148 | V | 98.5 | Very high | 97.1 | Very high | 28 Ų | 28 | 36.9 Ų | 36.9 | 17% | 0.17 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -47.5 | -174.6 | -172.7 | 0 | 0 | 0 | 0 | 111.8 | R90 L93 Y144 H150 | R90-V148 HydrophobicContact CB-CG2 4.21Å; R90-V148 HydrophobicContact CG-CG2 4.38Å; L93-V148 HydrophobicContact CB-CG2 3.65Å; L93-V148 HydrophobicContact CD1-CG2 4.22Å; Y144-V148 HydrophobicContact CD2-CB 3.92Å; Y144-V148 HydrophobicContact CD2-CG1 4.22Å; Y144-V148 HydrophobicContact CD2-CG2 3.78Å; Y144-V148 HydrophobicContact CE2-CB 3.92Å; Y144-V148 HydrophobicContact CE2-CG1 3.7Å; Y144-V148 HydrophobicContact CE2-CG2 4.1Å; Y144-V148 HydrophobicContact CG-CB 4.23Å; Y144-V148 HydrophobicContact CG-CG2 4.3Å; Y144-V148 WeakPolarHBondContact O-CA 3.35Å; Y144-V148 VanDerWaalsContact O-CB 3.23Å; Y144-V148 WeakPolarHBondContact O-CB 3.5Å; Y144-V148 PolarHBondContact O-N 3.39Å; V148-H150 PolarHBondContact O-N 3.42Å; V148-H150 VanDerWaalsContact O-N 3.09Å |
| 149 | V | 98.3 | Very high | 97 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 6% | 0.055 | 23% | 0.232 | C | C | . | . | trans | -79.8 | 95.6 | -177.3 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | L106 T109 Y144 P151 R163 | L106-V149 HydrophobicContact CD2-CG2 4.21Å; T109-V149 HydrophobicContact CG2-CG1 4.11Å; Y144-V149 HydrophobicContact CD1-CG2 3.74Å; Y144-V149 HydrophobicContact CE1-CG2 3.39Å; Y144-V149 PolarHBondContact O-N 2.99Å; V149-P151 HydrophobicContact CG1-CG 4.36Å; V149-P151 WeakPolarHBondContact O-CD 3.48Å; V149-R163 HydrophobicContact CG1-CG 4.43Å; V149-R163 WeakPolarHBondContact O-CD 3.45Å; V149-R163 PolarHBondContact O-NE 3.36Å; V149-R163 PolarHBondContact O-NH1 2.9Å | ||
| 150 | H | 97.7 | Very high | 97 | Very high | 50 Ų | 50 | 41.4 Ų | 41.4 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | trans | -114.6 | 91.9 | 175.5 | -66.8 | -173 | 0 | 0 | 0 | 108.9 | R90 C146 V148 M202 N203 | R90-H150 PolarHBondContact NH2-CE1 3.43Å; R90-H150 VanDerWaalsContact NH2-CE1 3.33Å; R90-H150 PolarHBondContact NH2-ND1 2.86Å; C146-H150 PolarHBondContact O-NE2 3.35Å; V148-H150 PolarHBondContact O-N 3.42Å; V148-H150 VanDerWaalsContact O-N 3.09Å; H150-M202 HydrophobicContact CB-CB 4.47Å; H150-M202 HydrophobicContact CB-CE 4.29Å; H150-M202 HydrophobicContact CB-CG 4.39Å; H150-M202 WeakPolarHBondContact NE2-CB 3.33Å; H150-N203 PolarHBondContact CE1-OD1 3.42Å; H150-N203 PolarHBondContact NE2-OD1 2.93Å | ||
| 151 | P | 96.6 | Very high | 97 | Very high | 25 Ų | 25 | 41.2 Ų | 41.2 | 16% | 0.162 | 24% | 0.235 | C | C | . | . | trans | -64.2 | 153.9 | -177.6 | -19.7 | 32.6 | 0 | 0 | 0 | 112.4 | V149 V155 L156 R163 | V149-P151 HydrophobicContact CG1-CG 4.36Å; V149-P151 WeakPolarHBondContact O-CD 3.48Å; P151-V155 HydrophobicContact CB-CB 3.89Å; P151-V155 HydrophobicContact CB-CG1 3.77Å; P151-L156 HydrophobicContact CB-CD2 4.17Å; P151-L156 HydrophobicContact CB-CG 4.26Å; P151-L156 HydrophobicContact CG-CD2 4.31Å; P151-R163 HydrophobicContact CG-CG 4.21Å | ||
| 152 | S | 96.2 | Very high | 97 | Very high | 60 Ų | 60 | 43 Ų | 43 | 42% | 0.42 | 25% | 0.246 | S | C | . | . | trans | -68.7 | 161.7 | 172.7 | 66.4 | 0 | 0 | 0 | 0 | 111.3 | E154 V155 L156 | S152-E154 PolarHBondContact O-N 2.7Å; S152-V155 PolarHBondContact O-N 3.48Å; S152-V155 PolarHBondContact OG-N 2.93Å; S152-L156 WeakPolarHBondContact O-CG 3.43Å; S152-L156 PolarHBondContact O-N 3.13Å | ||
| 153 | N | 93.4 | Very high | 96.9 | Very high | 137 Ų | 137 | 43.3 Ų | 43.3 | 73% | 0.733 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -57.5 | -34.1 | 176.5 | -70.1 | -28 | 0 | 0 | 0 | 112.8 | L156 S157 | N153-L156 PolarHBondContact O-N 3.04Å; N153-S157 PolarHBondContact O-N 3.37Å; N153-S157 PolarHBondContact O-OG 3.48Å; N153-S157 VanDerWaalsContact O-OG 3.06Å |
| 154 | E | 95.4 | Very high | 96.9 | Very high | 159 Ų | 159 | 45.2 Ų | 45.2 | 74% | 0.743 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.1 | -42.5 | 174.8 | -64.2 | 173.3 | 178 | 0 | 0 | 111.8 | S152 S157 S158 | S152-E154 PolarHBondContact O-N 2.7Å; E154-S157 PolarHBondContact O-OG 3Å; E154-S158 WeakPolarHBondContact O-CB 3.35Å; E154-S158 PolarHBondContact O-N 3.39Å |
| 155 | V | 94.9 | Very high | 96.9 | Very high | 38 Ų | 38 | 45.7 Ų | 45.7 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.4 | -41.4 | 176.2 | 176.6 | 0 | 0 | 0 | 0 | 110.2 | P151 S152 S157 S158 I160 | P151-V155 HydrophobicContact CB-CB 3.89Å; P151-V155 HydrophobicContact CB-CG1 3.77Å; S152-V155 PolarHBondContact O-N 3.48Å; S152-V155 PolarHBondContact OG-N 2.93Å; V155-S157 VanDerWaalsContact C-N 3.28Å; V155-S157 PolarHBondContact O-N 2.93Å; V155-S158 PolarHBondContact O-N 3.49Å; V155-S158 VanDerWaalsContact O-N 3.16Å; V155-S158 PolarHBondContact O-OG 3.47Å; V155-I160 HydrophobicContact CG1-CB 4.03Å; V155-I160 HydrophobicContact CG1-CG1 4.43Å; V155-I160 HydrophobicContact CG1-CG2 3.91Å |
| 156 | L | 91.8 | Very high | 96.9 | Very high | 82 Ų | 82 | 45.7 Ų | 45.7 | 43% | 0.429 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.5 | -30.3 | 179.3 | -67.6 | 173.6 | 0 | 0 | 0 | 113.4 | P151 S152 N153 M202 | P151-L156 HydrophobicContact CB-CD2 4.17Å; P151-L156 HydrophobicContact CB-CG 4.26Å; P151-L156 HydrophobicContact CG-CD2 4.31Å; S152-L156 WeakPolarHBondContact O-CG 3.43Å; S152-L156 PolarHBondContact O-N 3.13Å; N153-L156 PolarHBondContact O-N 3.04Å; L156-M202 HydrophobicContact CD1-CE 4.18Å; L156-M202 HydrophobicContact CD2-CE 4.48Å |
| 157 | S | 92.3 | Very high | 96.9 | Very high | 104 Ų | 104 | 45.7 Ų | 45.7 | 73% | 0.727 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 0.7 | 177 | 63.9 | 0 | 0 | 0 | 0 | 114.3 | N153 E154 V155 | N153-S157 PolarHBondContact O-N 3.37Å; N153-S157 PolarHBondContact O-OG 3.48Å; N153-S157 VanDerWaalsContact O-OG 3.06Å; E154-S157 PolarHBondContact O-OG 3Å; V155-S157 VanDerWaalsContact C-N 3.28Å; V155-S157 PolarHBondContact O-N 2.93Å |
| 158 | S | 96.6 | Very high | 96.9 | Very high | 53 Ų | 53 | 46 Ų | 46 | 37% | 0.371 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -93.7 | -176.4 | -178.6 | 75.1 | 0 | 0 | 0 | 0 | 113.4 | E154 V155 I160 | E154-S158 WeakPolarHBondContact O-CB 3.35Å; E154-S158 PolarHBondContact O-N 3.39Å; V155-S158 PolarHBondContact O-N 3.49Å; V155-S158 VanDerWaalsContact O-N 3.16Å; V155-S158 PolarHBondContact O-OG 3.47Å; S158-I160 VanDerWaalsContact C-N 3.3Å; S158-I160 WeakPolarHBondContact OG-CB 3.42Å; S158-I160 VanDerWaalsContact OG-CG1 3.24Å; S158-I160 WeakPolarHBondContact OG-CG1 3.44Å; S158-I160 PolarHBondContact OG-N 2.88Å |
| 159 | D | 96.9 | Very high | 96.9 | Very high | 81 Ų | 81 | 45.6 Ų | 45.6 | 43% | 0.433 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -89.1 | 12.5 | 172.4 | 70.4 | -17.9 | 0 | 0 | 0 | 113.4 | R113 F114 | R113-D159 CarbonylContact C-O 2.95Å; R113-D159 WeakPolarHBondContact CA-O 3.27Å; R113-D159 WeakPolarHBondContact CD-OD2 3.39Å; R113-D159 IonicContact CZ-OD2 2.63Å; R113-D159 IonicContact NE-OD1 2.93Å; R113-D159 IonicContact NE-OD2 3.51Å; R113-D159 PolarHBondContact NE-OD2 3.28Å; R113-D159 IonicContact NH1-OD2 3.81Å; F114-D159 PolarHBondContact N-O 3.1Å |
| 160 | I | 98.4 | Very high | 96.9 | Very high | 27 Ų | 27 | 45.1 Ų | 45.1 | 14% | 0.138 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -66.9 | 144 | 176.2 | -64.5 | -62.8 | 0 | 0 | 0 | 111.1 | T109 V112 V155 S158 P162 | T109-I160 WeakPolarHBondContact O-CG2 3.43Å; V112-I160 CarbonylContact O-C 3.23Å; V112-I160 WeakPolarHBondContact O-CA 3.22Å; V155-I160 HydrophobicContact CG1-CB 4.03Å; V155-I160 HydrophobicContact CG1-CG1 4.43Å; V155-I160 HydrophobicContact CG1-CG2 3.91Å; S158-I160 VanDerWaalsContact C-N 3.3Å; S158-I160 WeakPolarHBondContact OG-CB 3.42Å; S158-I160 VanDerWaalsContact OG-CG1 3.24Å; S158-I160 WeakPolarHBondContact OG-CG1 3.44Å; S158-I160 PolarHBondContact OG-N 2.88Å; I160-P162 VanDerWaalsContact O-CD 3.24Å; I160-P162 WeakPolarHBondContact O-CD 3.46Å; I160-P162 VanDerWaalsContact O-N 3.08Å |
| 161 | L | 98.5 | Very high | 97 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | trans | -52.4 | 111.7 | 178.6 | 174.4 | 65.8 | 0 | 0 | 0 | 110.6 | M108 V112 F114 Q117 A165 I166 | M108-L161 HydrophobicContact CB-CD2 4.12Å; M108-L161 HydrophobicContact CE-CD2 3.91Å; V112-L161 HydrophobicContact CB-CB 4.47Å; V112-L161 HydrophobicContact CG1-CD2 4.46Å; V112-L161 WeakPolarHBondContact O-CB 3.4Å; V112-L161 PolarHBondContact O-N 3.29Å; F114-L161 HydrophobicContact CD2-CD1 3.73Å; F114-L161 HydrophobicContact CE2-CD1 4.3Å; Q117-L161 HydrophobicContact CB-CD1 3.9Å; Q117-L161 HydrophobicContact CB-CD2 3.64Å; Q117-L161 HydrophobicContact CB-CG 4.35Å; Q117-L161 HydrophobicContact CG-CD1 3.84Å; Q117-L161 HydrophobicContact CG-CD2 4.38Å; L161-A165 HydrophobicContact CD1-CB 3.76Å; L161-I166 HydrophobicContact CD1-CG1 4.49Å; L161-I166 HydrophobicContact CD2-CD1 3.85Å; L161-I166 HydrophobicContact CD2-CG1 3.74Å; L161-I166 HydrophobicContact CG-CD1 4.24Å; L161-I166 HydrophobicContact CG-CG1 3.94Å | ||
| 162 | P | 98.3 | Very high | 97 | Very high | 36 Ų | 36 | 47.1 Ų | 47.1 | 23% | 0.234 | 27% | 0.268 | C | S | . | . | trans | -77 | 154 | -174.5 | 30.9 | -36.1 | 0 | 0 | 0 | 111.4 | F114 I160 W164 A165 I166 | F114-P162 HydrophobicContact CD2-CG 4.36Å; I160-P162 VanDerWaalsContact O-CD 3.24Å; I160-P162 WeakPolarHBondContact O-CD 3.46Å; I160-P162 VanDerWaalsContact O-N 3.08Å; P162-W164 VanDerWaalsContact C-N 3.28Å; P162-W164 HydrophobicContact CB-CG 4.35Å; P162-W164 HydrophobicContact CG-CD2 4.14Å; P162-W164 HydrophobicContact CG-CG 4.36Å; P162-W164 HydrophobicContact CG-CZ2 3.69Å; P162-W164 PolarHBondContact O-N 3.4Å; P162-A165 HydrophobicContact CG-CB 4Å; P162-A165 WeakPolarHBondContact O-CB 3.47Å; P162-A165 PolarHBondContact O-N 3.17Å; P162-I166 PolarHBondContact O-N 3.16Å | ||
| 163 | R | 98.6 | Very high | 97.1 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.6 | -42.1 | -178.2 | -61.2 | -172 | -63.6 | 144.5 | 0.2 | 112.8 | I145 C146 V149 P151 A165 I166 I167 M202 E205 | I145-R163 HydrophobicContact CG2-CB 3.83Å; I145-R163 HydrophobicContact CG2-CG 4.22Å; I145-R163 PolarHBondContact O-NH1 2.73Å; I145-R163 VanDerWaalsContact O-NH1 3.08Å; C146-R163 PolarHBondContact O-NH1 2.88Å; V149-R163 HydrophobicContact CG1-CG 4.43Å; V149-R163 WeakPolarHBondContact O-CD 3.45Å; V149-R163 PolarHBondContact O-NE 3.36Å; V149-R163 PolarHBondContact O-NH1 2.9Å; P151-R163 HydrophobicContact CG-CG 4.21Å; R163-A165 PolarHBondContact O-N 3.08Å; R163-I166 PolarHBondContact O-N 3.43Å; R163-I166 VanDerWaalsContact O-N 3.13Å; R163-I167 WeakPolarHBondContact O-CG1 3.37Å; R163-I167 PolarHBondContact O-N 2.85Å; R163-M202 PolarHBondContact NH1-O 3.24Å; R163-M202 PolarHBondContact NH2-O 3.33Å; R163-E205 IonicContact CZ-OE1 3.05Å; R163-E205 IonicContact NE-OE1 3.18Å; R163-E205 IonicContact NH2-OE1 3.61Å; R163-E205 PolarHBondContact NH2-OE1 2.79Å |
| 164 | W | 98.4 | Very high | 97.3 | Very high | 43 Ų | 43 | 39.4 Ų | 39.4 | 16% | 0.163 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.7 | -33.4 | 179.1 | 67.9 | -105.6 | 0 | 0 | 0 | 112.1 | F114 P162 I167 G168 L209 V210 H213 | F114-W164 HydrophobicContact CE1-CH2 4.36Å; F114-W164 HydrophobicContact CE1-CZ2 4.45Å; F114-W164 HydrophobicContact CE2-CH2 4.15Å; F114-W164 HydrophobicContact CE2-CZ2 4.48Å; F114-W164 AromaticContact CZ-CH2 3.61Å; F114-W164 HydrophobicContact CZ-CH2 3.61Å; F114-W164 HydrophobicContact CZ-CZ2 4.02Å; P162-W164 VanDerWaalsContact C-N 3.28Å; P162-W164 HydrophobicContact CB-CG 4.35Å; P162-W164 HydrophobicContact CG-CD2 4.14Å; P162-W164 HydrophobicContact CG-CG 4.36Å; P162-W164 HydrophobicContact CG-CZ2 3.69Å; P162-W164 PolarHBondContact O-N 3.4Å; W164-I167 PolarHBondContact O-N 2.97Å; W164-G168 PolarHBondContact O-N 3.36Å; W164-L209 HydrophobicContact CB-CB 3.66Å; W164-L209 HydrophobicContact CG-CB 3.79Å; W164-V210 HydrophobicContact CB-CG2 3.86Å; W164-V210 WeakPolarHBondContact O-CG2 3.3Å; W164-H213 HydrophobicContact CD2-CB 4.16Å; W164-H213 AromaticContact CD2-CD2 3.74Å; W164-H213 AromaticContact CE2-CD2 3.34Å; W164-H213 AromaticContact CE2-CG 3.72Å; W164-H213 AromaticContact CE2-NE2 3.87Å; W164-H213 HydrophobicContact CE3-CB 3.77Å; W164-H213 HydrophobicContact CH2-CB 3.48Å; W164-H213 VanDerWaalsContact CH2-CB 3.48Å; W164-H213 AromaticContact CH2-CG 3.7Å; W164-H213 HydrophobicContact CZ2-CB 3.85Å; W164-H213 AromaticContact CZ2-CD2 3.62Å; W164-H213 AromaticContact CZ2-CG 3.51Å; W164-H213 AromaticContact CZ2-ND1 3.88Å; W164-H213 HydrophobicContact CZ3-CB 3.43Å; W164-H213 VanDerWaalsContact CZ3-CB 3.43Å; W164-H213 AromaticContact NE1-CD2 3.5Å; W164-H213 AromaticContact NE1-NE2 3.69Å |
| 165 | A | 98.4 | Very high | 97.3 | Very high | 12 Ų | 12 | 37 Ų | 37 | 10% | 0.099 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.3 | -36.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | F114 L161 P162 R163 G168 W169 | F114-A165 HydrophobicContact CD2-CB 4.28Å; F114-A165 HydrophobicContact CE2-CB 3.69Å; L161-A165 HydrophobicContact CD1-CB 3.76Å; P162-A165 HydrophobicContact CG-CB 4Å; P162-A165 WeakPolarHBondContact O-CB 3.47Å; P162-A165 PolarHBondContact O-N 3.17Å; R163-A165 PolarHBondContact O-N 3.08Å; A165-G168 PolarHBondContact O-N 3.38Å; A165-W169 PolarHBondContact O-N 3.36Å |
| 166 | I | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67 | -44.5 | 173.7 | -56.2 | -176.1 | 0 | 0 | 0 | 110.3 | L105 M108 T109 I145 L161 P162 R163 G168 W169 L170 | L105-I166 HydrophobicContact CD2-CG2 4.3Å; M108-I166 HydrophobicContact CB-CD1 4.11Å; M108-I166 HydrophobicContact CE-CD1 4.36Å; T109-I166 HydrophobicContact CG2-CD1 3.33Å; I145-I166 HydrophobicContact CD1-CB 4.28Å; I145-I166 HydrophobicContact CD1-CG2 3.55Å; L161-I166 HydrophobicContact CD1-CG1 4.49Å; L161-I166 HydrophobicContact CD2-CD1 3.85Å; L161-I166 HydrophobicContact CD2-CG1 3.74Å; L161-I166 HydrophobicContact CG-CD1 4.24Å; L161-I166 HydrophobicContact CG-CG1 3.94Å; P162-I166 PolarHBondContact O-N 3.16Å; R163-I166 PolarHBondContact O-N 3.43Å; R163-I166 VanDerWaalsContact O-N 3.13Å; I166-G168 VanDerWaalsContact C-N 3.35Å; I166-G168 PolarHBondContact O-N 3.27Å; I166-W169 HydrophobicContact CG2-CE3 3.89Å; I166-W169 HydrophobicContact CG2-CZ3 4.06Å; I166-W169 PolarHBondContact O-N 3.44Å; I166-L170 HydrophobicContact CG2-CD1 4.29Å; I166-L170 HydrophobicContact CG2-CG 4.45Å; I166-L170 WeakPolarHBondContact O-CG 3.43Å; I166-L170 PolarHBondContact O-N 3.39Å |
| 167 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.2 | -46.6 | 175.1 | -63 | -64.3 | 0 | 0 | 0 | 110.9 | I142 I145 R163 W164 W169 L170 L171 L187 P206 V210 | I142-I167 HydrophobicContact CB-CD1 4.17Å; I142-I167 HydrophobicContact CG1-CD1 3.89Å; I142-I167 HydrophobicContact CG2-CD1 4.1Å; I145-I167 HydrophobicContact CB-CD1 3.94Å; I145-I167 HydrophobicContact CD1-CD1 3.97Å; I145-I167 HydrophobicContact CG2-CD1 3.8Å; I145-I167 HydrophobicContact CG2-CG1 4.02Å; R163-I167 WeakPolarHBondContact O-CG1 3.37Å; R163-I167 PolarHBondContact O-N 2.85Å; W164-I167 PolarHBondContact O-N 2.97Å; I167-W169 VanDerWaalsContact C-N 3.31Å; I167-W169 PolarHBondContact O-N 3.27Å; I167-L170 PolarHBondContact O-N 3.22Å; I167-L171 HydrophobicContact CG2-CD1 4.1Å; I167-L171 HydrophobicContact CG2-CG 4.36Å; I167-L171 WeakPolarHBondContact O-CG 3.47Å; I167-L171 PolarHBondContact O-N 3.47Å; I167-L187 HydrophobicContact CG2-CD1 3.79Å; I167-L187 HydrophobicContact CG2-CD2 3.79Å; I167-L187 HydrophobicContact CG2-CG 4.4Å; I167-P206 HydrophobicContact CG1-CB 4.21Å; I167-V210 HydrophobicContact CB-CG2 3.82Å; I167-V210 HydrophobicContact CG2-CG2 3.71Å |
| 168 | G | 98.4 | Very high | 97.7 | Very high | 11 Ų | 11 | 40.4 Ų | 40.4 | 11% | 0.113 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56 | -45.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | W164 A165 I166 L171 T172 | W164-G168 PolarHBondContact O-N 3.36Å; A165-G168 PolarHBondContact O-N 3.38Å; I166-G168 VanDerWaalsContact C-N 3.35Å; I166-G168 PolarHBondContact O-N 3.27Å; G168-L171 PolarHBondContact O-N 2.89Å; G168-T172 WeakPolarHBondContact O-CG2 3.23Å; G168-T172 PolarHBondContact O-N 3.06Å |
| 169 | W | 98.5 | Very high | 97.7 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 8% | 0.076 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.4 | -47.3 | 173.3 | 161.6 | 62.5 | 0 | 0 | 0 | 112.8 | M108 Q121 F124 Q125 L129 A165 I166 I167 L171 T172 T173 | M108-W169 HydrophobicContact CE-CZ3 4.29Å; Q121-W169 HydrophobicContact CB-CD2 4.12Å; Q121-W169 HydrophobicContact CB-CH2 4.35Å; Q121-W169 HydrophobicContact CB-CZ2 3.76Å; Q121-W169 HydrophobicContact CG-CD2 3.68Å; Q121-W169 HydrophobicContact CG-CE3 3.95Å; Q121-W169 HydrophobicContact CG-CG 4.11Å; Q121-W169 HydrophobicContact CG-CH2 4.29Å; Q121-W169 HydrophobicContact CG-CZ2 4.05Å; Q121-W169 HydrophobicContact CG-CZ3 4.24Å; Q121-W169 WeakPolarHBondContact O-CZ2 3.37Å; F124-W169 HydrophobicContact CB-CH2 3.96Å; F124-W169 AromaticContact CD1-CH2 3.81Å; F124-W169 HydrophobicContact CD1-CH2 3.81Å; F124-W169 HydrophobicContact CG-CH2 4.07Å; Q125-W169 HydrophobicContact CB-CZ2 4.17Å; L129-W169 HydrophobicContact CD1-CH2 4.24Å; L129-W169 HydrophobicContact CD1-CZ2 4.29Å; A165-W169 PolarHBondContact O-N 3.36Å; I166-W169 HydrophobicContact CG2-CE3 3.89Å; I166-W169 HydrophobicContact CG2-CZ3 4.06Å; I166-W169 PolarHBondContact O-N 3.44Å; I167-W169 VanDerWaalsContact C-N 3.31Å; I167-W169 PolarHBondContact O-N 3.27Å; W169-L171 VanDerWaalsContact C-N 3.25Å; W169-L171 PolarHBondContact O-N 2.99Å; W169-T172 PolarHBondContact O-N 3.39Å; W169-T172 VanDerWaalsContact O-N 3.09Å; W169-T172 PolarHBondContact O-OG1 3.35Å; W169-T173 WeakPolarHBondContact O-CG2 3.29Å; W169-T173 PolarHBondContact O-N 3.04Å; W169-T173 VanDerWaalsContact O-N 3.16Å |
| 170 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.1 | -40.3 | 178.6 | -70.7 | 174.6 | 0 | 0 | 0 | 111.7 | L129 L141 I142 I145 I166 I167 T172 T173 | L129-L170 HydrophobicContact CD1-CD2 3.74Å; L141-L170 HydrophobicContact CB-CD1 3.85Å; L141-L170 HydrophobicContact CD1-CD2 4Å; I142-L170 HydrophobicContact CG1-CD1 4.08Å; I145-L170 HydrophobicContact CD1-CD1 3.68Å; I166-L170 HydrophobicContact CG2-CD1 4.29Å; I166-L170 HydrophobicContact CG2-CG 4.45Å; I166-L170 WeakPolarHBondContact O-CG 3.43Å; I166-L170 PolarHBondContact O-N 3.39Å; I167-L170 PolarHBondContact O-N 3.22Å; L170-T172 PolarHBondContact O-N 3.26Å; L170-T173 PolarHBondContact O-N 3.07Å; L170-T173 PolarHBondContact O-OG1 3.01Å |
| 171 | L | 98.4 | Very high | 97.8 | Very high | 26 Ų | 26 | 36.8 Ų | 36.8 | 14% | 0.136 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -39.5 | 176.2 | -69.5 | 173 | 0 | 0 | 0 | 112.7 | I142 I167 G168 W169 T173 C174 A183 K184 L187 V210 L225 | I142-L171 HydrophobicContact CD1-CD2 4.37Å; I167-L171 HydrophobicContact CG2-CD1 4.1Å; I167-L171 HydrophobicContact CG2-CG 4.36Å; I167-L171 WeakPolarHBondContact O-CG 3.47Å; I167-L171 PolarHBondContact O-N 3.47Å; G168-L171 PolarHBondContact O-N 2.89Å; W169-L171 VanDerWaalsContact C-N 3.25Å; W169-L171 PolarHBondContact O-N 2.99Å; L171-T173 VanDerWaalsContact C-N 3.26Å; L171-T173 PolarHBondContact O-N 3.35Å; L171-C174 PolarHBondContact O-N 3.25Å; L171-A183 HydrophobicContact CD2-CB 3.91Å; L171-K184 HydrophobicContact CD2-CG 4.48Å; L171-L187 HydrophobicContact CD1-CD2 4.09Å; L171-V210 HydrophobicContact CD1-CG1 4.33Å; L171-L225 HydrophobicContact CD1-CD1 4.23Å; L171-L225 HydrophobicContact CD1-CD2 4.18Å |
| 172 | T | 97.3 | Very high | 97.7 | Very high | 90 Ų | 90 | 39.2 Ų | 39.2 | 55% | 0.552 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -74 | -17.5 | 179.3 | 61.8 | 0 | 0 | 0 | 0 | 113.4 | G168 W169 L170 I221 | G168-T172 WeakPolarHBondContact O-CG2 3.23Å; G168-T172 PolarHBondContact O-N 3.06Å; W169-T172 PolarHBondContact O-N 3.39Å; W169-T172 VanDerWaalsContact O-N 3.09Å; W169-T172 PolarHBondContact O-OG1 3.35Å; L170-T172 PolarHBondContact O-N 3.26Å; T172-I221 HydrophobicContact CG2-CD1 3.79Å |
| 173 | T | 97.7 | Very high | 97.8 | Very high | 13 Ų | 13 | 37.5 Ų | 37.5 | 8% | 0.08 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -4.9 | 176.5 | 67.4 | 0 | 0 | 0 | 0 | 113.9 | R138 W169 L170 L171 T175 | R138-T173 PolarHBondContact NE-O 2.96Å; R138-T173 PolarHBondContact NE-OG1 2.91Å; R138-T173 PolarHBondContact NH2-O 2.99Å; R138-T173 PolarHBondContact NH2-OG1 2.96Å; W169-T173 WeakPolarHBondContact O-CG2 3.29Å; W169-T173 PolarHBondContact O-N 3.04Å; W169-T173 VanDerWaalsContact O-N 3.16Å; L170-T173 PolarHBondContact O-N 3.07Å; L170-T173 PolarHBondContact O-OG1 3.01Å; L171-T173 VanDerWaalsContact C-N 3.26Å; L171-T173 PolarHBondContact O-N 3.35Å; T173-T175 PolarHBondContact O-N 3.45Å |
| 174 | C | 97.9 | Very high | 97.8 | Very high | 23 Ų | 23 | 38.7 Ų | 38.7 | 16% | 0.155 | 23% | 0.23 | C | C | . | . | trans | -65.2 | 126.6 | 176.3 | -67.8 | 0 | 0 | 0 | 0 | 110.5 | L171 A179 A180 | L171-C174 PolarHBondContact O-N 3.25Å; C174-A179 HydrophobicContact CB-CB 4.49Å; C174-A180 HydrophobicContact CB-CB 3.98Å | ||
| 175 | T | 96.6 | Very high | 97.8 | Very high | 109 Ų | 109 | 37.5 Ų | 37.5 | 67% | 0.669 | 23% | 0.227 | S | C | * | . | trans | -102.8 | -3.3 | -178.3 | 60.7 | 0 | 0 | 0 | 0 | 113.9 | Q135 T173 | Q135-T175 PolarHBondContact NE2-OG1 3.48Å; Q135-T175 VanDerWaalsContact NE2-OG1 3.08Å; T173-T175 PolarHBondContact O-N 3.45Å | ||
| 176 | S | 96.1 | Very high | 97.8 | Very high | 51 Ų | 51 | 37 Ų | 37 | 36% | 0.357 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -135.4 | 150.9 | 176.5 | 77.5 | 0 | 0 | 0 | 0 | 111.8 | V178 A179 A180 | S176-V178 PolarHBondContact O-N 3.42Å; S176-A179 PolarHBondContact O-N 3.36Å; S176-A179 VanDerWaalsContact OG-CB 3.32Å; S176-A179 WeakPolarHBondContact OG-CB 3.34Å; S176-A179 PolarHBondContact OG-N 3.43Å; S176-A179 VanDerWaalsContact OG-N 3.14Å; S176-A180 WeakPolarHBondContact O-CB 3.34Å; S176-A180 PolarHBondContact O-N 2.78Å |
| 177 | N | 95.9 | Very high | 97.8 | Very high | 143 Ų | 143 | 37 Ų | 37 | 77% | 0.765 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -61.1 | -34.5 | 176.9 | -73.1 | -27 | 0 | 0 | 0 | 112.1 | A180 S181 | N177-A180 PolarHBondContact O-N 3.1Å; N177-S181 WeakPolarHBondContact O-CB 3.42Å; N177-S181 PolarHBondContact O-N 3.06Å; N177-S181 PolarHBondContact O-OG 2.85Å; N177-S181 VanDerWaalsContact O-OG 3.06Å |
| 178 | V | 95.6 | Very high | 97.8 | Very high | 101 Ų | 101 | 37 Ų | 37 | 61% | 0.612 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -63.9 | -48.9 | 176.1 | 178 | 0 | 0 | 0 | 0 | 110.4 | S176 A180 S181 N182 | S176-V178 PolarHBondContact O-N 3.42Å; V178-A180 VanDerWaalsContact C-N 3.35Å; V178-A180 PolarHBondContact O-N 2.86Å; V178-S181 PolarHBondContact O-N 3.49Å; V178-N182 WeakPolarHBondContact O-CB 3.38Å; V178-N182 PolarHBondContact O-N 2.86Å; V178-N182 PolarHBondContact O-ND2 2.8Å |
| 179 | A | 96.6 | Very high | 97.8 | Very high | 7 Ų | 7 | 36.7 Ų | 36.7 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q135 C174 S176 N182 A183 | Q135-A179 HydrophobicContact CB-CB 3.83Å; Q135-A179 HydrophobicContact CG-CB 4.31Å; C174-A179 HydrophobicContact CB-CB 4.49Å; S176-A179 PolarHBondContact O-N 3.36Å; S176-A179 VanDerWaalsContact OG-CB 3.32Å; S176-A179 WeakPolarHBondContact OG-CB 3.34Å; S176-A179 PolarHBondContact OG-N 3.43Å; S176-A179 VanDerWaalsContact OG-N 3.14Å; A179-N182 PolarHBondContact O-N 3.41Å; A179-A183 VanDerWaalsContact O-CB 3.27Å; A179-A183 WeakPolarHBondContact O-CB 3.42Å; A179-A183 PolarHBondContact O-N 2.63Å |
| 180 | A | 97.9 | Very high | 97.8 | Very high | 20 Ų | 20 | 35.9 Ų | 35.9 | 17% | 0.165 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C174 S176 N177 V178 A183 K184 | C174-A180 HydrophobicContact CB-CB 3.98Å; S176-A180 WeakPolarHBondContact O-CB 3.34Å; S176-A180 PolarHBondContact O-N 2.78Å; N177-A180 PolarHBondContact O-N 3.1Å; V178-A180 VanDerWaalsContact C-N 3.35Å; V178-A180 PolarHBondContact O-N 2.86Å; A180-A183 PolarHBondContact O-N 3.09Å; A180-K184 VanDerWaalsContact O-CG 3.26Å; A180-K184 WeakPolarHBondContact O-CG 3.4Å; A180-K184 PolarHBondContact O-N 3.03Å |
| 181 | S | 97.9 | Very high | 97.8 | Very high | 57 Ų | 57 | 35.9 Ų | 35.9 | 40% | 0.399 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.5 | -43.1 | 176.9 | -68.4 | 0 | 0 | 0 | 0 | 112.2 | N177 V178 A183 K184 L185 | N177-S181 WeakPolarHBondContact O-CB 3.42Å; N177-S181 PolarHBondContact O-N 3.06Å; N177-S181 PolarHBondContact O-OG 2.85Å; N177-S181 VanDerWaalsContact O-OG 3.06Å; V178-S181 PolarHBondContact O-N 3.49Å; S181-A183 VanDerWaalsContact C-N 3.35Å; S181-A183 PolarHBondContact O-N 2.84Å; S181-K184 PolarHBondContact O-N 2.74Å; S181-L185 PolarHBondContact O-N 3.4Å |
| 182 | N | 98.2 | Very high | 97.8 | Very high | 54 Ų | 54 | 34.8 Ų | 34.8 | 29% | 0.289 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.8 | -39.1 | 176.2 | -71.7 | -17.9 | 0 | 0 | 0 | 111.9 | V178 A179 L185 A186 | V178-N182 WeakPolarHBondContact O-CB 3.38Å; V178-N182 PolarHBondContact O-N 2.86Å; V178-N182 PolarHBondContact O-ND2 2.8Å; A179-N182 PolarHBondContact O-N 3.41Å; N182-L185 PolarHBondContact O-N 2.97Å; N182-A186 WeakPolarHBondContact O-CB 3.33Å; N182-A186 PolarHBondContact O-N 3.16Å |
| 183 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | I142 L171 A179 A180 S181 A186 L187 | I142-A183 HydrophobicContact CD1-CB 3.63Å; L171-A183 HydrophobicContact CD2-CB 3.91Å; A179-A183 VanDerWaalsContact O-CB 3.27Å; A179-A183 WeakPolarHBondContact O-CB 3.42Å; A179-A183 PolarHBondContact O-N 2.63Å; A180-A183 PolarHBondContact O-N 3.09Å; S181-A183 VanDerWaalsContact C-N 3.35Å; S181-A183 PolarHBondContact O-N 2.84Å; A183-A186 PolarHBondContact O-N 3.33Å; A183-L187 WeakPolarHBondContact O-CB 3.48Å; A183-L187 PolarHBondContact O-N 3.17Å |
| 184 | K | 98.8 | Very high | 98 | Very high | 33 Ų | 33 | 30.9 Ų | 30.9 | 14% | 0.143 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -44.5 | 174.2 | -67.8 | 172.1 | -163 | 174.5 | 0 | 111.4 | L171 A180 S181 A186 L187 F188 T224 L225 F228 | L171-K184 HydrophobicContact CD2-CG 4.48Å; A180-K184 VanDerWaalsContact O-CG 3.26Å; A180-K184 WeakPolarHBondContact O-CG 3.4Å; A180-K184 PolarHBondContact O-N 3.03Å; S181-K184 PolarHBondContact O-N 2.74Å; K184-A186 PolarHBondContact O-N 3.08Å; K184-L187 WeakPolarHBondContact O-CB 3.33Å; K184-L187 PolarHBondContact O-N 2.85Å; K184-F188 WeakPolarHBondContact O-CD2 3.13Å; K184-F188 PolarHBondContact O-N 3.45Å; K184-T224 PolarHBondContact NZ-OG1 2.76Å; K184-L225 HydrophobicContact CG-CD2 3.93Å; K184-F228 HydrophobicContact CB-CD1 3.96Å; K184-F228 HydrophobicContact CB-CD2 3.7Å; K184-F228 HydrophobicContact CB-CE1 4.1Å; K184-F228 HydrophobicContact CB-CE2 3.83Å; K184-F228 HydrophobicContact CB-CG 3.78Å; K184-F228 HydrophobicContact CB-CZ 4.04Å; K184-F228 HydrophobicContact CD-CB 4.05Å; K184-F228 HydrophobicContact CD-CD2 3.86Å; K184-F228 HydrophobicContact CD-CG 4.03Å; K184-F228 HydrophobicContact CG-CD2 4.43Å; K184-F228 HydrophobicContact CG-CG 4.47Å |
| 185 | L | 98.8 | Very high | 97.9 | Very high | 17 Ų | 17 | 31.4 Ų | 31.4 | 9% | 0.089 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.4 | -44 | 175.9 | -178.8 | 59.6 | 0 | 0 | 0 | 111.5 | S181 N182 L187 F188 Y189 L192 F228 I232 F236 | S181-L185 PolarHBondContact O-N 3.4Å; N182-L185 PolarHBondContact O-N 2.97Å; L185-L187 VanDerWaalsContact C-N 3.28Å; L185-L187 PolarHBondContact O-N 3.5Å; L185-F188 CarbonylContact O-C 2.86Å; L185-F188 PolarHBondContact O-N 2.98Å; L185-Y189 HydrophobicContact CD1-CD2 3.95Å; L185-Y189 HydrophobicContact CD1-CE2 4.13Å; L185-Y189 HydrophobicContact CD2-CE2 4.24Å; L185-Y189 HydrophobicContact CG-CD2 3.85Å; L185-Y189 HydrophobicContact CG-CE2 4.02Å; L185-Y189 WeakPolarHBondContact O-CA 3.34Å; L185-Y189 WeakPolarHBondContact O-CB 3.44Å; L185-Y189 PolarHBondContact O-N 3.02Å; L185-L192 HydrophobicContact CD1-CD1 4.14Å; L185-F228 HydrophobicContact CB-CZ 3.74Å; L185-F228 HydrophobicContact CD1-CZ 4.18Å; L185-I232 HydrophobicContact CD1-CD1 4.14Å; L185-I232 HydrophobicContact CD1-CG1 4.24Å; L185-F236 HydrophobicContact CD1-CD2 4.22Å; L185-F236 HydrophobicContact CD1-CE2 4.22Å |
| 186 | A | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.7 | -37.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | C139 I142 R143 N182 A183 K184 | C139-A186 HydrophobicContact CB-CB 4.22Å; I142-A186 HydrophobicContact CB-CB 4.48Å; I142-A186 HydrophobicContact CG2-CB 4.08Å; R143-A186 WeakPolarHBondContact CD-O 3.43Å; R143-A186 HydrophobicContact CG-CB 4.13Å; R143-A186 PolarHBondContact NH1-O 3.1Å; N182-A186 WeakPolarHBondContact O-CB 3.33Å; N182-A186 PolarHBondContact O-N 3.16Å; A183-A186 PolarHBondContact O-N 3.33Å; K184-A186 PolarHBondContact O-N 3.08Å |
| 187 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.1 | -40.3 | 176.8 | 178.4 | 58.2 | 0 | 0 | 0 | 112.2 | I142 I167 L171 A183 K184 L185 P206 A207 L225 | I142-L187 HydrophobicContact CG2-CB 3.94Å; I142-L187 HydrophobicContact CG2-CD1 4.36Å; I167-L187 HydrophobicContact CG2-CD1 3.79Å; I167-L187 HydrophobicContact CG2-CD2 3.79Å; I167-L187 HydrophobicContact CG2-CG 4.4Å; L171-L187 HydrophobicContact CD1-CD2 4.09Å; A183-L187 WeakPolarHBondContact O-CB 3.48Å; A183-L187 PolarHBondContact O-N 3.17Å; K184-L187 WeakPolarHBondContact O-CB 3.33Å; K184-L187 PolarHBondContact O-N 2.85Å; L185-L187 VanDerWaalsContact C-N 3.28Å; L185-L187 PolarHBondContact O-N 3.5Å; L187-P206 HydrophobicContact CD1-CB 4.5Å; L187-A207 HydrophobicContact CD1-CB 3.79Å; L187-A207 HydrophobicContact CD2-CB 4.11Å; L187-A207 HydrophobicContact CG-CB 3.67Å; L187-L225 HydrophobicContact CD2-CD2 4.03Å |
| 188 | F | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -91.3 | 3.6 | 179.2 | -75 | -71.7 | 0 | 0 | 0 | 114.2 | K184 L185 D190 W191 L192 A207 M211 L225 F228 M229 | K184-F188 WeakPolarHBondContact O-CD2 3.13Å; K184-F188 PolarHBondContact O-N 3.45Å; L185-F188 CarbonylContact O-C 2.86Å; L185-F188 PolarHBondContact O-N 2.98Å; F188-D190 VanDerWaalsContact C-N 3.32Å; F188-D190 PolarHBondContact O-N 3.25Å; F188-W191 HydrophobicContact CD1-CB 4.35Å; F188-W191 AromaticContact CD1-CD1 3.89Å; F188-W191 AromaticContact CD1-CD2 3.78Å; F188-W191 HydrophobicContact CD1-CD2 3.78Å; F188-W191 AromaticContact CD1-CE2 3.96Å; F188-W191 HydrophobicContact CD1-CE3 4.31Å; F188-W191 AromaticContact CD1-CG 3.77Å; F188-W191 HydrophobicContact CD1-CG 3.77Å; F188-W191 AromaticContact CD1-NE1 3.98Å; F188-W191 HydrophobicContact CE1-CD2 4.14Å; F188-W191 HydrophobicContact CE1-CE3 4.4Å; F188-W191 HydrophobicContact CE1-CZ2 4.34Å; F188-W191 VanDerWaalsContact O-CB 3.23Å; F188-W191 WeakPolarHBondContact O-CB 3.46Å; F188-W191 PolarHBondContact O-N 3.01Å; F188-L192 PolarHBondContact O-N 3.18Å; F188-A207 HydrophobicContact CD1-CB 4.24Å; F188-A207 HydrophobicContact CE1-CB 3.88Å; F188-A207 HydrophobicContact CZ-CB 4.22Å; F188-M211 HydrophobicContact CE1-CE 4.2Å; F188-M211 HydrophobicContact CZ-CE 3.94Å; F188-M211 HydrophobicContact CZ-SD 4.37Å; F188-L225 HydrophobicContact CE2-CB 4.2Å; F188-L225 HydrophobicContact CE2-CD2 3.87Å; F188-L225 HydrophobicContact CZ-CB 4.3Å; F188-F228 HydrophobicContact CB-CE1 4.26Å; F188-F228 AromaticContact CD2-CD1 3.57Å; F188-F228 HydrophobicContact CD2-CD1 3.57Å; F188-F228 AromaticContact CD2-CE1 3.9Å; F188-F228 HydrophobicContact CD2-CE1 3.9Å; F188-F228 HydrophobicContact CE2-CD1 4.05Å; F188-F228 HydrophobicContact CG-CD1 4.41Å; F188-F228 HydrophobicContact CG-CE1 4.46Å; F188-M229 HydrophobicContact CE1-CB 4.29Å; F188-M229 HydrophobicContact CE1-CG 4.24Å; F188-M229 HydrophobicContact CE1-SD 3.97Å; F188-M229 HydrophobicContact CZ-CB 4.15Å |
| 189 | Y | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -38.9 | -169.8 | -143.5 | -97.2 | 0 | 0 | 0 | 113.4 | R44 R48 Q51 L185 W191 L192 F236 | R44-Y189 HydrophobicContact CB-CE1 4.25Å; R44-Y189 HydrophobicContact CG-CD1 4.29Å; R44-Y189 HydrophobicContact CG-CE1 4.39Å; R44-Y189 WeakPolarHBondContact O-CE1 3.33Å; R48-Y189 VanDerWaalsContact CA-OH 3.28Å; R48-Y189 WeakPolarHBondContact CA-OH 3.02Å; R48-Y189 HydrophobicContact CB-CD2 4.38Å; R48-Y189 HydrophobicContact CB-CE1 3.88Å; R48-Y189 HydrophobicContact CB-CE2 3.72Å; R48-Y189 VanDerWaalsContact CB-CZ 3.45Å; R48-Y189 HydrophobicContact CG-CD2 4.09Å; R48-Y189 HydrophobicContact CG-CE2 3.7Å; R48-Y189 PolarHBondContact N-OH 3.19Å; Q51-Y189 PolarHBondContact OE1-OH 3.29Å; L185-Y189 HydrophobicContact CD1-CD2 3.95Å; L185-Y189 HydrophobicContact CD1-CE2 4.13Å; L185-Y189 HydrophobicContact CD2-CE2 4.24Å; L185-Y189 HydrophobicContact CG-CD2 3.85Å; L185-Y189 HydrophobicContact CG-CE2 4.02Å; L185-Y189 WeakPolarHBondContact O-CA 3.34Å; L185-Y189 WeakPolarHBondContact O-CB 3.44Å; L185-Y189 PolarHBondContact O-N 3.02Å; Y189-W191 PolarHBondContact O-N 3.26Å; Y189-L192 HydrophobicContact CD2-CD1 4.43Å; Y189-F236 HydrophobicContact CE2-CE2 4.2Å |
| 190 | D | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -9.5 | 177.2 | -68 | -50.6 | 0 | 0 | 0 | 113.5 | R44 R143 F188 F194 N203 I204 | R44-D190 WeakPolarHBondContact CD-OD1 3.18Å; R44-D190 IonicContact CZ-OD1 3.8Å; R44-D190 IonicContact NH1-OD1 3.69Å; R44-D190 PolarHBondContact NH1-OD1 3.03Å; R143-D190 IonicContact CZ-OD2 2.86Å; R143-D190 VanDerWaalsContact CZ-OD2 3.26Å; R143-D190 IonicContact NH1-OD2 3.41Å; R143-D190 PolarHBondContact NH1-OD2 3.07Å; R143-D190 IonicContact NH2-OD1 2.68Å; R143-D190 PolarHBondContact NH2-OD1 3.05Å; R143-D190 IonicContact NH2-OD2 3.25Å; R143-D190 PolarHBondContact NH2-OD2 3.41Å; F188-D190 VanDerWaalsContact C-N 3.32Å; F188-D190 PolarHBondContact O-N 3.25Å; D190-F194 WeakPolarHBondContact O-CB 3.46Å; D190-N203 HydrophobicContact CB-CB 3.99Å; D190-I204 HydrophobicContact CB-CG2 4.19Å |
| 191 | W | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -34.6 | 175.2 | -67.8 | 59.5 | 0 | 0 | 0 | 111.8 | F188 Y189 F193 F194 I204 A207 I208 M229 G247 V248 S251 L252 I255 | F188-W191 HydrophobicContact CD1-CB 4.35Å; F188-W191 AromaticContact CD1-CD1 3.89Å; F188-W191 AromaticContact CD1-CD2 3.78Å; F188-W191 HydrophobicContact CD1-CD2 3.78Å; F188-W191 AromaticContact CD1-CE2 3.96Å; F188-W191 HydrophobicContact CD1-CE3 4.31Å; F188-W191 AromaticContact CD1-CG 3.77Å; F188-W191 HydrophobicContact CD1-CG 3.77Å; F188-W191 AromaticContact CD1-NE1 3.98Å; F188-W191 HydrophobicContact CE1-CD2 4.14Å; F188-W191 HydrophobicContact CE1-CE3 4.4Å; F188-W191 HydrophobicContact CE1-CZ2 4.34Å; F188-W191 VanDerWaalsContact O-CB 3.23Å; F188-W191 WeakPolarHBondContact O-CB 3.46Å; F188-W191 PolarHBondContact O-N 3.01Å; Y189-W191 PolarHBondContact O-N 3.26Å; W191-F193 VanDerWaalsContact C-N 3.29Å; W191-F193 PolarHBondContact O-N 3.25Å; W191-F194 PolarHBondContact O-N 2.83Å; W191-I204 HydrophobicContact CD2-CB 4.29Å; W191-I204 HydrophobicContact CD2-CG2 4.37Å; W191-I204 HydrophobicContact CG-CB 4.37Å; W191-I204 HydrophobicContact CG-CG2 3.98Å; W191-I204 HydrophobicContact CZ2-CB 4.14Å; W191-I204 WeakPolarHBondContact CZ2-O 3.16Å; W191-I204 PolarHBondContact NE1-O 2.77Å; W191-A207 HydrophobicContact CZ2-CB 3.85Å; W191-I208 HydrophobicContact CH2-CB 4.01Å; W191-I208 HydrophobicContact CZ2-CB 4.1Å; W191-M229 HydrophobicContact CE3-SD 4.28Å; W191-M229 HydrophobicContact CZ3-SD 4.04Å; W191-G247 CarbonylContact O-C 3.59Å; W191-G247 WeakPolarHBondContact O-CA 3.43Å; W191-V248 HydrophobicContact CE3-CG1 4.45Å; W191-V248 PolarHBondContact O-N 2.97Å; W191-S251 VanDerWaalsContact CE3-CB 3.43Å; W191-L252 HydrophobicContact CH2-CD2 4.22Å; W191-L252 HydrophobicContact CZ3-CD2 3.8Å; W191-L252 HydrophobicContact CZ3-CG 4.02Å; W191-I255 HydrophobicContact CH2-CD1 3.28Å; W191-I255 HydrophobicContact CZ2-CD1 3.64Å; W191-I255 HydrophobicContact CZ3-CD1 4.04Å |
| 192 | L | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -40.2 | -168.6 | -59.8 | 177.6 | 0 | 0 | 0 | 112.5 | L185 F188 Y189 I232 F236 V244 | L185-L192 HydrophobicContact CD1-CD1 4.14Å; F188-L192 PolarHBondContact O-N 3.18Å; Y189-L192 HydrophobicContact CD2-CD1 4.43Å; L192-I232 HydrophobicContact CD2-CG1 4Å; L192-I232 HydrophobicContact CD2-CG2 4.08Å; L192-F236 HydrophobicContact CD1-CD1 4.15Å; L192-F236 HydrophobicContact CD1-CD2 3.52Å; L192-F236 HydrophobicContact CD1-CE1 4.06Å; L192-F236 HydrophobicContact CD1-CE2 3.41Å; L192-F236 VanDerWaalsContact CD1-CE2 3.41Å; L192-F236 HydrophobicContact CD1-CG 3.89Å; L192-F236 HydrophobicContact CD1-CZ 3.69Å; L192-V244 HydrophobicContact CB-CG1 4.4Å; L192-V244 HydrophobicContact CD2-CG1 3.75Å; L192-V244 VanDerWaalsContact O-CA 3.26Å; L192-V244 WeakPolarHBondContact O-CA 3.08Å |
| 193 | F | 98.6 | Very high | 98.1 | Very high | 15 Ų | 15 | 27.2 Ų | 27.2 | 7% | 0.066 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.3 | 35.3 | -179.8 | -64.8 | -95.1 | 0 | 0 | 0 | 111.2 | L81 L84 Q85 W191 S195 F236 L240 H243 V244 | L81-F193 HydrophobicContact CD1-CD1 3.92Å; L81-F193 HydrophobicContact CD1-CE1 3.65Å; L84-F193 HydrophobicContact CB-CD1 4.25Å; L84-F193 HydrophobicContact CB-CD2 3.78Å; L84-F193 HydrophobicContact CB-CE1 4.31Å; L84-F193 HydrophobicContact CB-CE2 3.9Å; L84-F193 HydrophobicContact CB-CG 3.99Å; L84-F193 HydrophobicContact CB-CZ 4.17Å; L84-F193 HydrophobicContact CD1-CD2 4.46Å; L84-F193 HydrophobicContact CD1-CE1 4.34Å; L84-F193 HydrophobicContact CD1-CE2 3.72Å; L84-F193 HydrophobicContact CD1-CZ 3.64Å; L84-F193 HydrophobicContact CD2-CD2 4.14Å; L84-F193 HydrophobicContact CD2-CE2 3.91Å; L84-F193 HydrophobicContact CG-CD2 4.35Å; L84-F193 HydrophobicContact CG-CE2 4.05Å; L84-F193 HydrophobicContact CG-CZ 4.36Å; Q85-F193 HydrophobicContact CG-CD1 4.42Å; W191-F193 VanDerWaalsContact C-N 3.29Å; W191-F193 PolarHBondContact O-N 3.25Å; F193-S195 PolarHBondContact O-N 3.12Å; F193-F236 HydrophobicContact CE2-CD1 4.02Å; F193-F236 AromaticContact CE2-CE1 3.69Å; F193-F236 HydrophobicContact CE2-CE1 3.69Å; F193-F236 HydrophobicContact CZ-CD1 4.45Å; F193-F236 HydrophobicContact CZ-CE1 4.32Å; F193-L240 HydrophobicContact CE1-CB 4.42Å; F193-L240 HydrophobicContact CE1-CD1 4.2Å; F193-L240 HydrophobicContact CZ-CB 4.29Å; F193-L240 HydrophobicContact CZ-CD1 4.14Å; F193-H243 HydrophobicContact CD1-CB 4.02Å; F193-H243 HydrophobicContact CE1-CB 3.56Å; F193-V244 HydrophobicContact CE1-CG2 4.39Å; F193-V244 HydrophobicContact CE2-CG2 3.89Å; F193-V244 HydrophobicContact CZ-CG2 3.63Å |
| 194 | F | 98.6 | Very high | 98 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | trans | -59.4 | 130.3 | -176.9 | -176.5 | -94.3 | 0 | 0 | 0 | 111.9 | D190 W191 P196 D199 I204 S251 H254 | D190-F194 WeakPolarHBondContact O-CB 3.46Å; W191-F194 PolarHBondContact O-N 2.83Å; F194-P196 HydrophobicContact CE1-CB 4.1Å; F194-D199 HydrophobicContact CD2-CB 3.5Å; F194-D199 HydrophobicContact CE2-CB 3.44Å; F194-D199 VanDerWaalsContact CE2-CB 3.44Å; F194-D199 HydrophobicContact CG-CB 4.34Å; F194-D199 HydrophobicContact CZ-CB 4.23Å; F194-I204 HydrophobicContact CD2-CD1 3.95Å; F194-I204 HydrophobicContact CD2-CG1 4.48Å; F194-I204 HydrophobicContact CD2-CG2 3.65Å; F194-I204 HydrophobicContact CE1-CD1 4.23Å; F194-I204 HydrophobicContact CE2-CD1 3.55Å; F194-I204 HydrophobicContact CE2-CG1 4.03Å; F194-I204 HydrophobicContact CE2-CG2 3.97Å; F194-I204 HydrophobicContact CG-CD1 4.45Å; F194-I204 HydrophobicContact CZ-CD1 3.72Å; F194-S251 WeakPolarHBondContact CB-OG 3.4Å; F194-S251 WeakPolarHBondContact CG-OG 3.46Å; F194-H254 HydrophobicContact CE1-CB 3.81Å; F194-H254 AromaticContact CE1-CG 3.99Å; F194-H254 HydrophobicContact CZ-CB 4.19Å; F194-H254 AromaticContact CZ-CD2 3.68Å | ||
| 195 | S | 97.8 | Very high | 98 | Very high | 33 Ų | 33 | 26.6 Ų | 26.6 | 23% | 0.231 | 14% | 0.143 | C | C | . | . | trans | -125.4 | 121.6 | 170.9 | 171.9 | 0 | 0 | 0 | 0 | 109.7 | F193 D197 K198 D199 | F193-S195 PolarHBondContact O-N 3.12Å; S195-D197 PolarHBondContact O-N 2.98Å; S195-D197 VanDerWaalsContact O-N 3.11Å; S195-K198 PolarHBondContact O-N 3.5Å; S195-D199 PolarHBondContact N-OD2 3.48Å; S195-D199 WeakPolarHBondContact O-CB 3.44Å; S195-D199 PolarHBondContact O-N 3.19Å | ||
| 196 | P | 96.5 | Very high | 98 | Very high | 57 Ų | 57 | 25.9 Ų | 25.9 | 37% | 0.37 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.2 | -176.4 | 26.2 | -34.9 | 0 | 0 | 0 | 113.6 | F194 | F194-P196 HydrophobicContact CE1-CB 4.1Š|
| 197 | D | 96.3 | Very high | 98 | Very high | 152 Ų | 152 | 25.8 Ų | 25.8 | 81% | 0.813 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -17.9 | 178 | -56.2 | -40.9 | 0 | 0 | 0 | 113.1 | S195 | S195-D197 PolarHBondContact O-N 2.98Å; S195-D197 VanDerWaalsContact O-N 3.11Å |
| 198 | K | 95.7 | Very high | 97.8 | Very high | 122 Ų | 122 | 26 Ų | 26 | 53% | 0.53 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -39 | -172.6 | -62.8 | -177.8 | -178.5 | 177.2 | 0 | 113.2 | R87 S195 | R87-K198 PolarHBondContact NH1-O 2.94Å; S195-K198 PolarHBondContact O-N 3.5Å |
| 199 | D | 97.8 | Very high | 97.7 | Very high | 10 Ų | 10 | 27.1 Ų | 27.1 | 5% | 0.053 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -97.4 | 149.5 | -173.8 | -65.7 | -62 | 0 | 0 | 0 | 111.2 | R44 F194 S195 | R44-D199 IonicContact CZ-OD1 2.73Å; R44-D199 VanDerWaalsContact CZ-OD1 3.3Å; R44-D199 IonicContact CZ-OD2 2.82Å; R44-D199 IonicContact NH1-OD1 3.85Å; R44-D199 PolarHBondContact NH1-OD1 3.26Å; R44-D199 IonicContact NH1-OD2 3.24Å; R44-D199 IonicContact NH2-OD1 3.62Å; R44-D199 PolarHBondContact NH2-OD1 3.33Å; R44-D199 IonicContact NH2-OD2 2.7Å; R44-D199 PolarHBondContact NH2-OD2 3.36Å; R44-D199 VanDerWaalsContact NH2-OD2 3.12Å; F194-D199 HydrophobicContact CD2-CB 3.5Å; F194-D199 HydrophobicContact CE2-CB 3.44Å; F194-D199 VanDerWaalsContact CE2-CB 3.44Å; F194-D199 HydrophobicContact CG-CB 4.34Å; F194-D199 HydrophobicContact CZ-CB 4.23Å; S195-D199 PolarHBondContact N-OD2 3.48Å; S195-D199 WeakPolarHBondContact O-CB 3.44Å; S195-D199 PolarHBondContact O-N 3.19Å |
| 200 | S | 97.1 | Very high | 97.7 | Very high | 43 Ų | 43 | 27 Ų | 27 | 30% | 0.301 | 15% | 0.145 | S | C | . | . | trans | -94.1 | 140.9 | -179.3 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | M202 N203 | S200-M202 PolarHBondContact O-N 3.25Å; S200-M202 VanDerWaalsContact O-N 3.11Å; S200-M202 PolarHBondContact OG-N 3.49Å; S200-N203 WeakPolarHBondContact O-CB 3.46Å; S200-N203 PolarHBondContact O-N 3.27Å | ||
| 201 | I | 97.6 | Very high | 97.5 | Very high | 27 Ų | 27 | 27 Ų | 27 | 14% | 0.138 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -50.3 | -33.7 | 166.9 | -175.1 | 60.4 | 0 | 0 | 0 | 111.9 | N203 I204 E205 I255 K258 V260 | I201-N203 PolarHBondContact O-N 3.35Å; I201-N203 VanDerWaalsContact O-N 3.15Å; I201-I204 HydrophobicContact CD1-CD1 4Å; I201-I204 HydrophobicContact CD1-CG1 3.96Å; I201-I204 WeakPolarHBondContact O-CG1 3.19Å; I201-I204 PolarHBondContact O-N 3.25Å; I201-I204 VanDerWaalsContact O-N 3.12Å; I201-E205 WeakPolarHBondContact O-CB 3.48Å; I201-E205 PolarHBondContact O-N 2.83Å; I201-I255 HydrophobicContact CD1-CB 4.44Å; I201-I255 HydrophobicContact CD1-CG1 3.7Å; I201-K258 HydrophobicContact CB-CG 4.36Å; I201-K258 HydrophobicContact CD1-CB 4.35Å; I201-K258 HydrophobicContact CD1-CG 4.48Å; I201-K258 HydrophobicContact CG1-CB 4.11Å; I201-K258 HydrophobicContact CG1-CG 4.21Å; I201-V260 HydrophobicContact CD1-CG2 3.86Å; I201-V260 HydrophobicContact CG1-CG2 3.71Å |
| 202 | M | 97.9 | Very high | 97.3 | Very high | 24 Ų | 24 | 30.1 Ų | 30.1 | 12% | 0.118 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.5 | -22.3 | -179.2 | -61.1 | -56.6 | -76.3 | 0 | 0 | 113.4 | H150 L156 R163 S200 | H150-M202 HydrophobicContact CB-CB 4.47Å; H150-M202 HydrophobicContact CB-CE 4.29Å; H150-M202 HydrophobicContact CB-CG 4.39Å; H150-M202 WeakPolarHBondContact NE2-CB 3.33Å; L156-M202 HydrophobicContact CD1-CE 4.18Å; L156-M202 HydrophobicContact CD2-CE 4.48Å; R163-M202 PolarHBondContact NH1-O 3.24Å; R163-M202 PolarHBondContact NH2-O 3.33Å; S200-M202 PolarHBondContact O-N 3.25Å; S200-M202 VanDerWaalsContact O-N 3.11Å; S200-M202 PolarHBondContact OG-N 3.49Å |
| 203 | N | 98.3 | Very high | 97.1 | Very high | 19 Ų | 19 | 33.8 Ų | 33.8 | 10% | 0.102 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -81 | -28 | 178.9 | -65.5 | 5.3 | 0 | 0 | 0 | 112.2 | C146 H150 D190 S200 I201 | C146-N203 PolarHBondContact O-OD1 3.22Å; H150-N203 PolarHBondContact CE1-OD1 3.42Å; H150-N203 PolarHBondContact NE2-OD1 2.93Å; D190-N203 HydrophobicContact CB-CB 3.99Å; S200-N203 WeakPolarHBondContact O-CB 3.46Å; S200-N203 PolarHBondContact O-N 3.27Å; I201-N203 PolarHBondContact O-N 3.35Å; I201-N203 VanDerWaalsContact O-N 3.15Å |
| 204 | I | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -104.6 | -27.7 | -174.3 | 60.6 | 167.6 | 0 | 0 | 0 | 112.9 | D190 W191 F194 I201 P206 A207 I255 | D190-I204 HydrophobicContact CB-CG2 4.19Å; W191-I204 HydrophobicContact CD2-CB 4.29Å; W191-I204 HydrophobicContact CD2-CG2 4.37Å; W191-I204 HydrophobicContact CG-CB 4.37Å; W191-I204 HydrophobicContact CG-CG2 3.98Å; W191-I204 HydrophobicContact CZ2-CB 4.14Å; W191-I204 WeakPolarHBondContact CZ2-O 3.16Å; W191-I204 PolarHBondContact NE1-O 2.77Å; F194-I204 HydrophobicContact CD2-CD1 3.95Å; F194-I204 HydrophobicContact CD2-CG1 4.48Å; F194-I204 HydrophobicContact CD2-CG2 3.65Å; F194-I204 HydrophobicContact CE1-CD1 4.23Å; F194-I204 HydrophobicContact CE2-CD1 3.55Å; F194-I204 HydrophobicContact CE2-CG1 4.03Å; F194-I204 HydrophobicContact CE2-CG2 3.97Å; F194-I204 HydrophobicContact CG-CD1 4.45Å; F194-I204 HydrophobicContact CZ-CD1 3.72Å; I201-I204 HydrophobicContact CD1-CD1 4Å; I201-I204 HydrophobicContact CD1-CG1 3.96Å; I201-I204 WeakPolarHBondContact O-CG1 3.19Å; I201-I204 PolarHBondContact O-N 3.25Å; I201-I204 VanDerWaalsContact O-N 3.12Å; I204-P206 VanDerWaalsContact C-N 3.34Å; I204-A207 PolarHBondContact O-N 3.14Å; I204-I255 HydrophobicContact CD1-CD1 4.02Å; I204-I255 HydrophobicContact CD1-CG1 3.94Å; I204-I255 HydrophobicContact CG1-CD1 4.39Å; I204-I255 HydrophobicContact CG1-CG1 4.37Å |
| 205 | E | 97.8 | Very high | 96.5 | Very high | 21 Ų | 21 | 37.6 Ų | 37.6 | 10% | 0.098 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.9 | -34.5 | -178.9 | 74.2 | 163.8 | -152 | 0 | 0 | 115.4 | R163 I201 A207 I208 L209 V260 | R163-E205 IonicContact CZ-OE1 3.05Å; R163-E205 IonicContact NE-OE1 3.18Å; R163-E205 IonicContact NH2-OE1 3.61Å; R163-E205 PolarHBondContact NH2-OE1 2.79Å; I201-E205 WeakPolarHBondContact O-CB 3.48Å; I201-E205 PolarHBondContact O-N 2.83Å; E205-A207 VanDerWaalsContact C-N 3.27Å; E205-A207 PolarHBondContact O-N 3.41Å; E205-I208 WeakPolarHBondContact O-CG2 3.23Å; E205-I208 PolarHBondContact O-N 2.71Å; E205-L209 HydrophobicContact CB-CD1 4.37Å; E205-L209 HydrophobicContact CG-CD1 4.45Å; E205-L209 WeakPolarHBondContact O-CB 3.4Å; E205-L209 WeakPolarHBondContact O-CG 3.41Å; E205-L209 PolarHBondContact O-N 3.45Å; E205-V260 HydrophobicContact CB-CG1 3.93Å; E205-V260 HydrophobicContact CB-CG2 4.36Å |
| 206 | P | 98.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.9 | -36.8 | -175.3 | -25.3 | 37.5 | 0 | 0 | 0 | 112 | I167 L187 I204 L209 V210 | I167-P206 HydrophobicContact CG1-CB 4.21Å; L187-P206 HydrophobicContact CD1-CB 4.5Å; I204-P206 VanDerWaalsContact C-N 3.34Å; P206-L209 PolarHBondContact O-N 2.69Å; P206-V210 WeakPolarHBondContact O-CG2 3.33Å; P206-V210 PolarHBondContact O-N 3.12Å |
| 207 | A | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.7 | -46.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L187 F188 W191 I204 E205 V210 M211 | L187-A207 HydrophobicContact CD1-CB 3.79Å; L187-A207 HydrophobicContact CD2-CB 4.11Å; L187-A207 HydrophobicContact CG-CB 3.67Å; F188-A207 HydrophobicContact CD1-CB 4.24Å; F188-A207 HydrophobicContact CE1-CB 3.88Å; F188-A207 HydrophobicContact CZ-CB 4.22Å; W191-A207 HydrophobicContact CZ2-CB 3.85Å; I204-A207 PolarHBondContact O-N 3.14Å; E205-A207 VanDerWaalsContact C-N 3.27Å; E205-A207 PolarHBondContact O-N 3.41Å; A207-V210 PolarHBondContact O-N 3.01Å; A207-M211 WeakPolarHBondContact O-CG 3.42Å; A207-M211 PolarHBondContact O-N 2.97Å |
| 208 | I | 96.2 | Very high | 95.7 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.8 | -35.8 | -179.6 | -167 | 60.3 | 0 | 0 | 0 | 112 | W191 E205 M211 H212 I255 V260 L261 | W191-I208 HydrophobicContact CH2-CB 4.01Å; W191-I208 HydrophobicContact CZ2-CB 4.1Å; E205-I208 WeakPolarHBondContact O-CG2 3.23Å; E205-I208 PolarHBondContact O-N 2.71Å; I208-M211 HydrophobicContact CB-CE 4.47Å; I208-M211 HydrophobicContact CD1-CE 3.68Å; I208-M211 PolarHBondContact O-N 3.25Å; I208-H212 WeakPolarHBondContact O-CB 3.43Å; I208-H212 PolarHBondContact O-N 3.49Å; I208-I255 HydrophobicContact CB-CD1 4.03Å; I208-I255 HydrophobicContact CG1-CD1 4.41Å; I208-I255 HydrophobicContact CG1-CG2 4.29Å; I208-I255 HydrophobicContact CG2-CD1 3.74Å; I208-I255 HydrophobicContact CG2-CG1 4.21Å; I208-I255 HydrophobicContact CG2-CG2 4.1Å; I208-V260 HydrophobicContact CG2-CG1 4.07Å; I208-L261 HydrophobicContact CD1-CD1 3.87Å; I208-L261 HydrophobicContact CG1-CD1 3.36Å; I208-L261 HydrophobicContact CG1-CG 4.13Å |
| 209 | L | 96.5 | Very high | 95.5 | Very high | 25 Ų | 25 | 42.7 Ų | 42.7 | 13% | 0.131 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.9 | -36 | 177.3 | -69.7 | 176.7 | 0 | 0 | 0 | 112 | W164 E205 P206 M211 H212 H213 V260 L261 | W164-L209 HydrophobicContact CB-CB 3.66Å; W164-L209 HydrophobicContact CG-CB 3.79Å; E205-L209 HydrophobicContact CB-CD1 4.37Å; E205-L209 HydrophobicContact CG-CD1 4.45Å; E205-L209 WeakPolarHBondContact O-CB 3.4Å; E205-L209 WeakPolarHBondContact O-CG 3.41Å; E205-L209 PolarHBondContact O-N 3.45Å; P206-L209 PolarHBondContact O-N 2.69Å; L209-M211 VanDerWaalsContact C-N 3.33Å; L209-M211 PolarHBondContact O-N 3.13Å; L209-H212 PolarHBondContact O-N 3.43Å; L209-H213 WeakPolarHBondContact O-CB 3.39Å; L209-H213 PolarHBondContact O-CD2 3.03Å; L209-H213 VanDerWaalsContact O-CD2 3.23Å; L209-H213 PolarHBondContact O-N 3.16Å; L209-V260 HydrophobicContact CD1-CG1 4.24Å; L209-V260 HydrophobicContact CD2-CG1 3.94Å; L209-V260 HydrophobicContact CG-CG1 3.99Å; L209-L261 HydrophobicContact CD2-CD2 4.27Å |
| 210 | V | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.6 | -49.3 | 169.7 | 170 | 0 | 0 | 0 | 0 | 110 | W164 I167 L171 P206 A207 H212 S214 I221 L225 | W164-V210 HydrophobicContact CB-CG2 3.86Å; W164-V210 WeakPolarHBondContact O-CG2 3.3Å; I167-V210 HydrophobicContact CB-CG2 3.82Å; I167-V210 HydrophobicContact CG2-CG2 3.71Å; L171-V210 HydrophobicContact CD1-CG1 4.33Å; P206-V210 WeakPolarHBondContact O-CG2 3.33Å; P206-V210 PolarHBondContact O-N 3.12Å; A207-V210 PolarHBondContact O-N 3.01Å; V210-H212 VanDerWaalsContact C-N 3.32Å; V210-H212 PolarHBondContact O-N 2.95Å; V210-S214 WeakPolarHBondContact O-CB 3.31Å; V210-S214 PolarHBondContact O-N 2.96Å; V210-S214 PolarHBondContact O-OG 3.38Å; V210-I221 HydrophobicContact CG1-CG2 3.81Å; V210-L225 HydrophobicContact CB-CD1 4.28Å; V210-L225 HydrophobicContact CG1-CD1 3.58Å |
| 211 | M | 95.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.6 | -41.4 | 178.5 | -73.4 | -170.4 | -74.3 | 0 | 0 | 112 | F188 A207 I208 L209 M215 T222 L225 L226 | F188-M211 HydrophobicContact CE1-CE 4.2Å; F188-M211 HydrophobicContact CZ-CE 3.94Å; F188-M211 HydrophobicContact CZ-SD 4.37Å; A207-M211 WeakPolarHBondContact O-CG 3.42Å; A207-M211 PolarHBondContact O-N 2.97Å; I208-M211 HydrophobicContact CB-CE 4.47Å; I208-M211 HydrophobicContact CD1-CE 3.68Å; I208-M211 PolarHBondContact O-N 3.25Å; L209-M211 VanDerWaalsContact C-N 3.33Å; L209-M211 PolarHBondContact O-N 3.13Å; M211-M215 PolarHBondContact O-N 2.93Å; M211-T222 HydrophobicContact CB-CG2 4.12Å; M211-T222 WeakPolarHBondContact O-CG2 3.46Å; M211-T222 PolarHBondContact O-OG1 2.66Å; M211-L225 HydrophobicContact CG-CB 3.64Å; M211-L225 HydrophobicContact CG-CD1 3.66Å; M211-L225 HydrophobicContact CG-CG 4.31Å; M211-L225 HydrophobicContact SD-CB 3.66Å; M211-L226 HydrophobicContact SD-CD2 3.73Å; M211-L226 HydrophobicContact SD-CG 3.81Å |
| 212 | H | 93.7 | Very high | 95.1 | Very high | 68 Ų | 68 | 44.3 Ų | 44.3 | 32% | 0.315 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.9 | -55.3 | 179.6 | 178 | 59.4 | 0 | 0 | 0 | 112.3 | I208 L209 V210 S214 M215 L261 Y266 | I208-H212 WeakPolarHBondContact O-CB 3.43Å; I208-H212 PolarHBondContact O-N 3.49Å; L209-H212 PolarHBondContact O-N 3.43Å; V210-H212 VanDerWaalsContact C-N 3.32Å; V210-H212 PolarHBondContact O-N 2.95Å; H212-S214 VanDerWaalsContact C-N 3.31Å; H212-S214 PolarHBondContact O-N 3.26Å; H212-M215 WeakPolarHBondContact O-CB 3.45Å; H212-M215 PolarHBondContact O-N 3.41Å; H212-L261 HydrophobicContact CB-CD2 3.9Å; H212-Y266 WeakPolarHBondContact CA-OH 3.13Å; H212-Y266 AromaticContact ND1-CE2 3.31Å; H212-Y266 VanDerWaalsContact ND1-CE2 3.31Å; H212-Y266 WeakPolarHBondContact ND1-CE2 2.99Å; H212-Y266 AromaticContact ND1-CZ 3.37Å; H212-Y266 PolarHBondContact ND1-OH 3.41Å |
| 213 | H | 94.6 | Very high | 94.8 | Very high | 78 Ų | 78 | 46 Ų | 46 | 36% | 0.361 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -75.2 | -19.2 | -174.6 | -71.1 | -72.6 | 0 | 0 | 0 | 113.4 | W164 L209 P217 | W164-H213 HydrophobicContact CD2-CB 4.16Å; W164-H213 AromaticContact CD2-CD2 3.74Å; W164-H213 AromaticContact CE2-CD2 3.34Å; W164-H213 AromaticContact CE2-CG 3.72Å; W164-H213 AromaticContact CE2-NE2 3.87Å; W164-H213 HydrophobicContact CE3-CB 3.77Å; W164-H213 HydrophobicContact CH2-CB 3.48Å; W164-H213 VanDerWaalsContact CH2-CB 3.48Å; W164-H213 AromaticContact CH2-CG 3.7Å; W164-H213 HydrophobicContact CZ2-CB 3.85Å; W164-H213 AromaticContact CZ2-CD2 3.62Å; W164-H213 AromaticContact CZ2-CG 3.51Å; W164-H213 AromaticContact CZ2-ND1 3.88Å; W164-H213 HydrophobicContact CZ3-CB 3.43Å; W164-H213 VanDerWaalsContact CZ3-CB 3.43Å; W164-H213 AromaticContact NE1-CD2 3.5Å; W164-H213 AromaticContact NE1-NE2 3.69Å; L209-H213 WeakPolarHBondContact O-CB 3.39Å; L209-H213 PolarHBondContact O-CD2 3.03Å; L209-H213 VanDerWaalsContact O-CD2 3.23Å; L209-H213 PolarHBondContact O-N 3.16Å; H213-P217 VanDerWaalsContact O-CD 3.23Å; H213-P217 WeakPolarHBondContact O-CD 3.26Å; H213-P217 VanDerWaalsContact O-CG 3.3Å; H213-P217 WeakPolarHBondContact O-CG 3.39Å |
| 214 | S | 94.7 | Very high | 94.7 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 6% | 0.056 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -83.8 | -15 | 175.1 | -55.1 | 0 | 0 | 0 | 0 | 113.6 | V210 H212 K216 P217 H218 | V210-S214 WeakPolarHBondContact O-CB 3.31Å; V210-S214 PolarHBondContact O-N 2.96Å; V210-S214 PolarHBondContact O-OG 3.38Å; H212-S214 VanDerWaalsContact C-N 3.31Å; H212-S214 PolarHBondContact O-N 3.26Å; S214-K216 VanDerWaalsContact C-N 3.26Å; S214-K216 PolarHBondContact O-N 3.02Å; S214-K216 VanDerWaalsContact O-N 3.14Å; S214-P217 WeakPolarHBondContact O-CD 3.44Å; S214-H218 CarbonylContact O-C 3.56Å; S214-H218 WeakPolarHBondContact O-CA 3.42Å; S214-H218 PolarHBondContact O-N 2.93Å; S214-H218 VanDerWaalsContact O-O 3.13Å |
| 215 | M | 89.6 | Confident | 94.6 | Very high | 94 Ų | 94 | 47.6 Ų | 47.6 | 46% | 0.463 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -35.5 | -170.1 | -169.5 | 173.2 | 69.2 | 0 | 0 | 113.8 | M211 H212 T222 Y266 | M211-M215 PolarHBondContact O-N 2.93Å; H212-M215 WeakPolarHBondContact O-CB 3.45Å; H212-M215 PolarHBondContact O-N 3.41Å; M215-T222 WeakPolarHBondContact CA-OG1 3.41Å; M215-T222 PolarHBondContact N-OG1 3.2Å; M215-Y266 WeakPolarHBondContact CE-OH 3.36Å; M215-Y266 HydrophobicContact SD-CE1 4.08Å; M215-Y266 PolarHBondContact SD-OH 3.33Å; M215-Y266 VanDerWaalsContact SD-OH 3.35Å |
| 216 | K | 88.4 | Confident | 94.5 | Very high | 199 Ų | 199 | 47.6 Ų | 47.6 | 87% | 0.865 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -54.4 | 177.1 | -174.3 | -179 | -178.7 | -177.2 | 0 | 113.1 | S214 | S214-K216 VanDerWaalsContact C-N 3.26Å; S214-K216 PolarHBondContact O-N 3.02Å; S214-K216 VanDerWaalsContact O-N 3.14Å |
| 217 | P | 92.7 | Very high | 94.2 | Very high | 79 Ų | 79 | 51 Ų | 51 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -30.7 | -174.8 | 29.6 | -36.1 | 0 | 0 | 0 | 113.6 | H213 S214 | H213-P217 VanDerWaalsContact O-CD 3.23Å; H213-P217 WeakPolarHBondContact O-CD 3.26Å; H213-P217 VanDerWaalsContact O-CG 3.3Å; H213-P217 WeakPolarHBondContact O-CG 3.39Å; S214-P217 WeakPolarHBondContact O-CD 3.44Å |
| 218 | H | 92.9 | Very high | 94.2 | Very high | 113 Ų | 113 | 52.3 Ų | 52.3 | 52% | 0.523 | 29% | 0.288 | S | S | . | . | trans | -144.7 | 64.3 | -171.8 | -57 | -58.1 | 0 | 0 | 0 | 111.7 | S214 A220 I221 | S214-H218 CarbonylContact O-C 3.56Å; S214-H218 WeakPolarHBondContact O-CA 3.42Å; S214-H218 PolarHBondContact O-N 2.93Å; S214-H218 VanDerWaalsContact O-O 3.13Å; H218-A220 PolarHBondContact O-N 3.3Å; H218-I221 HydrophobicContact CB-CD1 3.7Å; H218-I221 HydrophobicContact CB-CG1 4.03Å; H218-I221 WeakPolarHBondContact O-CB 3.49Å; H218-I221 PolarHBondContact O-N 2.95Å | ||
| 219 | P | 91.4 | Very high | 94.2 | Very high | 80 Ų | 80 | 52.1 Ų | 52.1 | 52% | 0.519 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57 | -27.7 | -172.1 | 21.1 | -33.7 | 0 | 0 | 0 | 114.3 | I221 T222 A223 | P219-I221 VanDerWaalsContact C-N 3.28Å; P219-I221 PolarHBondContact O-N 3.46Å; P219-T222 PolarHBondContact O-N 3.48Å; P219-A223 PolarHBondContact O-N 2.96Å |
| 220 | A | 94.1 | Very high | 94 | Very high | 77 Ų | 77 | 52.6 Ų | 52.6 | 64% | 0.636 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.6 | -33.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H218 T224 | H218-A220 PolarHBondContact O-N 3.3Å; A220-T224 WeakPolarHBondContact O-CB 3.32Å; A220-T224 WeakPolarHBondContact O-CG2 3.32Å; A220-T224 PolarHBondContact O-N 3.16Å |
| 221 | I | 94.6 | Very high | 93.8 | Very high | 27 Ų | 27 | 60 Ų | 60 | 14% | 0.138 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.9 | -48.1 | 176.6 | -62.4 | 178.6 | 0 | 0 | 0 | 109.6 | T172 V210 H218 P219 A223 T224 L225 | T172-I221 HydrophobicContact CG2-CD1 3.79Å; V210-I221 HydrophobicContact CG1-CG2 3.81Å; H218-I221 HydrophobicContact CB-CD1 3.7Å; H218-I221 HydrophobicContact CB-CG1 4.03Å; H218-I221 WeakPolarHBondContact O-CB 3.49Å; H218-I221 PolarHBondContact O-N 2.95Å; P219-I221 VanDerWaalsContact C-N 3.28Å; P219-I221 PolarHBondContact O-N 3.46Å; I221-A223 PolarHBondContact O-N 3.18Å; I221-T224 WeakPolarHBondContact O-CG2 3.36Å; I221-T224 PolarHBondContact O-N 3.29Å; I221-L225 HydrophobicContact CG2-CD1 3.98Å; I221-L225 VanDerWaalsContact O-CG 3.31Å; I221-L225 WeakPolarHBondContact O-CG 3.4Å; I221-L225 PolarHBondContact O-N 2.73Å; I221-L225 VanDerWaalsContact O-N 3.13Å |
| 222 | T | 94.3 | Very high | 93.9 | Very high | 10 Ų | 10 | 60.9 Ų | 60.9 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 177.2 | -55 | 0 | 0 | 0 | 0 | 110.9 | M211 M215 P219 T224 L225 L226 | M211-T222 HydrophobicContact CB-CG2 4.12Å; M211-T222 WeakPolarHBondContact O-CG2 3.46Å; M211-T222 PolarHBondContact O-OG1 2.66Å; M215-T222 WeakPolarHBondContact CA-OG1 3.41Å; M215-T222 PolarHBondContact N-OG1 3.2Å; P219-T222 PolarHBondContact O-N 3.48Å; T222-T224 PolarHBondContact O-N 3.34Å; T222-L225 PolarHBondContact O-N 3.46Å; T222-L226 HydrophobicContact CG2-CD1 3.95Å; T222-L226 WeakPolarHBondContact O-CG 3.42Å; T222-L226 PolarHBondContact O-N 3.23Å |
| 223 | A | 92.8 | Very high | 94.1 | Very high | 60 Ų | 60 | 57.9 Ų | 57.9 | 50% | 0.496 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P219 I221 L225 L226 D227 | P219-A223 PolarHBondContact O-N 2.96Å; I221-A223 PolarHBondContact O-N 3.18Å; A223-L225 PolarHBondContact O-N 3.34Å; A223-L226 PolarHBondContact O-N 3.23Å; A223-D227 WeakPolarHBondContact O-CB 3.38Å; A223-D227 PolarHBondContact O-N 2.85Å |
| 224 | T | 96.1 | Very high | 94.2 | Very high | 52 Ų | 52 | 56.3 Ų | 56.3 | 32% | 0.319 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -71.5 | -29.9 | -177.8 | -161.6 | 0 | 0 | 0 | 0 | 113.5 | K184 A220 I221 T222 F228 | K184-T224 PolarHBondContact NZ-OG1 2.76Å; A220-T224 WeakPolarHBondContact O-CB 3.32Å; A220-T224 WeakPolarHBondContact O-CG2 3.32Å; A220-T224 PolarHBondContact O-N 3.16Å; I221-T224 WeakPolarHBondContact O-CG2 3.36Å; I221-T224 PolarHBondContact O-N 3.29Å; T222-T224 PolarHBondContact O-N 3.34Å; T224-F228 VanDerWaalsContact O-CB 3.29Å; T224-F228 WeakPolarHBondContact O-CB 3.46Å; T224-F228 PolarHBondContact O-N 2.94Å |
| 225 | L | 97.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -73.5 | -38.7 | 174.7 | -69.7 | 174.6 | 0 | 0 | 0 | 111.7 | L171 K184 L187 F188 V210 M211 I221 T222 A223 F228 M229 | L171-L225 HydrophobicContact CD1-CD1 4.23Å; L171-L225 HydrophobicContact CD1-CD2 4.18Å; K184-L225 HydrophobicContact CG-CD2 3.93Å; L187-L225 HydrophobicContact CD2-CD2 4.03Å; F188-L225 HydrophobicContact CE2-CB 4.2Å; F188-L225 HydrophobicContact CE2-CD2 3.87Å; F188-L225 HydrophobicContact CZ-CB 4.3Å; V210-L225 HydrophobicContact CB-CD1 4.28Å; V210-L225 HydrophobicContact CG1-CD1 3.58Å; M211-L225 HydrophobicContact CG-CB 3.64Å; M211-L225 HydrophobicContact CG-CD1 3.66Å; M211-L225 HydrophobicContact CG-CG 4.31Å; M211-L225 HydrophobicContact SD-CB 3.66Å; I221-L225 HydrophobicContact CG2-CD1 3.98Å; I221-L225 VanDerWaalsContact O-CG 3.31Å; I221-L225 WeakPolarHBondContact O-CG 3.4Å; I221-L225 PolarHBondContact O-N 2.73Å; I221-L225 VanDerWaalsContact O-N 3.13Å; T222-L225 PolarHBondContact O-N 3.46Å; A223-L225 PolarHBondContact O-N 3.34Å; L225-F228 PolarHBondContact O-N 3.02Å; L225-M229 WeakPolarHBondContact O-CB 3.37Å; L225-M229 PolarHBondContact O-N 3.03Å |
| 226 | L | 93.9 | Very high | 94.8 | Very high | 21 Ų | 21 | 58.7 Ų | 58.7 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.9 | -48.4 | 173 | -73 | 171.9 | 0 | 0 | 0 | 111.4 | M211 T222 A223 F228 M229 C230 L270 L273 | M211-L226 HydrophobicContact SD-CD2 3.73Å; M211-L226 HydrophobicContact SD-CG 3.81Å; T222-L226 HydrophobicContact CG2-CD1 3.95Å; T222-L226 WeakPolarHBondContact O-CG 3.42Å; T222-L226 PolarHBondContact O-N 3.23Å; A223-L226 PolarHBondContact O-N 3.23Å; L226-F228 VanDerWaalsContact C-N 3.33Å; L226-F228 PolarHBondContact O-N 2.89Å; L226-M229 HydrophobicContact CD2-CE 4.12Å; L226-M229 PolarHBondContact O-N 2.91Å; L226-C230 PolarHBondContact O-N 3.11Å; L226-C230 PolarHBondContact O-SG 2.63Å; L226-L270 HydrophobicContact CD2-CD2 3.63Å; L226-L273 HydrophobicContact CB-CD1 4.3Å; L226-L273 HydrophobicContact CD1-CD1 3.99Å |
| 227 | D | 93.5 | Very high | 95.2 | Very high | 71 Ų | 71 | 52.3 Ų | 52.3 | 38% | 0.38 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 176.1 | 175.7 | 80.8 | 0 | 0 | 0 | 111.4 | A223 M229 C230 R231 | A223-D227 WeakPolarHBondContact O-CB 3.38Å; A223-D227 PolarHBondContact O-N 2.85Å; D227-M229 PolarHBondContact O-N 2.81Å; D227-C230 PolarHBondContact O-N 3.4Å; D227-R231 WeakPolarHBondContact O-CB 3.24Å; D227-R231 WeakPolarHBondContact O-CG 3.39Å; D227-R231 PolarHBondContact O-N 3.23Å; D227-R231 IonicContact OD1-CZ 2.77Å; D227-R231 IonicContact OD1-NE 3.12Å; D227-R231 PolarHBondContact OD1-NE 3.21Å; D227-R231 IonicContact OD1-NH2 3.95Å; D227-R231 PolarHBondContact OD1-NH2 3.11Å; D227-R231 VanDerWaalsContact OD1-NH2 3.16Å; D227-R231 WeakPolarHBondContact OD2-CD 3.36Å; D227-R231 IonicContact OD2-CZ 3.3Å; D227-R231 IonicContact OD2-NE 2.97Å; D227-R231 PolarHBondContact OD2-NE 3Å |
| 228 | F | 97.1 | Very high | 95.5 | Very high | 29 Ų | 29 | 52.5 Ų | 52.5 | 13% | 0.127 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 174.8 | -177.8 | -86.5 | 0 | 0 | 0 | 111.8 | K184 L185 F188 T224 L225 L226 C230 R231 I232 | K184-F228 HydrophobicContact CB-CD1 3.96Å; K184-F228 HydrophobicContact CB-CD2 3.7Å; K184-F228 HydrophobicContact CB-CE1 4.1Å; K184-F228 HydrophobicContact CB-CE2 3.83Å; K184-F228 HydrophobicContact CB-CG 3.78Å; K184-F228 HydrophobicContact CB-CZ 4.04Å; K184-F228 HydrophobicContact CD-CB 4.05Å; K184-F228 HydrophobicContact CD-CD2 3.86Å; K184-F228 HydrophobicContact CD-CG 4.03Å; K184-F228 HydrophobicContact CG-CD2 4.43Å; K184-F228 HydrophobicContact CG-CG 4.47Å; L185-F228 HydrophobicContact CB-CZ 3.74Å; L185-F228 HydrophobicContact CD1-CZ 4.18Å; F188-F228 HydrophobicContact CB-CE1 4.26Å; F188-F228 AromaticContact CD2-CD1 3.57Å; F188-F228 HydrophobicContact CD2-CD1 3.57Å; F188-F228 AromaticContact CD2-CE1 3.9Å; F188-F228 HydrophobicContact CD2-CE1 3.9Å; F188-F228 HydrophobicContact CE2-CD1 4.05Å; F188-F228 HydrophobicContact CG-CD1 4.41Å; F188-F228 HydrophobicContact CG-CE1 4.46Å; T224-F228 VanDerWaalsContact O-CB 3.29Å; T224-F228 WeakPolarHBondContact O-CB 3.46Å; T224-F228 PolarHBondContact O-N 2.94Å; L225-F228 PolarHBondContact O-N 3.02Å; L226-F228 VanDerWaalsContact C-N 3.33Å; L226-F228 PolarHBondContact O-N 2.89Å; F228-C230 VanDerWaalsContact C-N 3.34Å; F228-C230 PolarHBondContact O-N 3.12Å; F228-R231 PolarHBondContact O-N 3.15Å; F228-I232 HydrophobicContact CD1-CB 4.41Å; F228-I232 HydrophobicContact CD1-CG2 4.41Å; F228-I232 HydrophobicContact CE1-CB 3.99Å; F228-I232 HydrophobicContact CE1-CG1 4.08Å; F228-I232 HydrophobicContact CE1-CG2 4.17Å; F228-I232 HydrophobicContact CZ-CB 4.28Å; F228-I232 HydrophobicContact CZ-CD1 4.14Å; F228-I232 HydrophobicContact CZ-CG1 4.1Å; F228-I232 WeakPolarHBondContact O-CB 3.42Å; F228-I232 WeakPolarHBondContact O-CG2 3.47Å; F228-I232 PolarHBondContact O-N 3Å |
| 229 | M | 96 | Very high | 95.8 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 179.1 | -172.2 | 178.1 | 69.1 | 0 | 0 | 112.1 | F188 W191 L225 L226 D227 I232 I233 V248 L270 I275 | F188-M229 HydrophobicContact CE1-CB 4.29Å; F188-M229 HydrophobicContact CE1-CG 4.24Å; F188-M229 HydrophobicContact CE1-SD 3.97Å; F188-M229 HydrophobicContact CZ-CB 4.15Å; W191-M229 HydrophobicContact CE3-SD 4.28Å; W191-M229 HydrophobicContact CZ3-SD 4.04Å; L225-M229 WeakPolarHBondContact O-CB 3.37Å; L225-M229 PolarHBondContact O-N 3.03Å; L226-M229 HydrophobicContact CD2-CE 4.12Å; L226-M229 PolarHBondContact O-N 2.91Å; D227-M229 PolarHBondContact O-N 2.81Å; M229-I232 WeakPolarHBondContact O-CG2 3.46Å; M229-I233 WeakPolarHBondContact O-CD1 3.48Å; M229-I233 WeakPolarHBondContact O-CG1 3.24Å; M229-V248 HydrophobicContact CG-CG1 4.05Å; M229-V248 HydrophobicContact SD-CG1 3.96Å; M229-L270 HydrophobicContact CE-CD2 3.34Å; M229-I275 HydrophobicContact CE-CD1 4.1Å |
| 230 | C | 92.1 | Very high | 96.1 | Very high | 34 Ų | 34 | 48.7 Ų | 48.7 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.9 | -46 | 174.3 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | L226 D227 F228 P234 I275 | L226-C230 PolarHBondContact O-N 3.11Å; L226-C230 PolarHBondContact O-SG 2.63Å; D227-C230 PolarHBondContact O-N 3.4Å; F228-C230 VanDerWaalsContact C-N 3.34Å; F228-C230 PolarHBondContact O-N 3.12Å; C230-P234 WeakPolarHBondContact O-CD 3.36Å; C230-I275 WeakPolarHBondContact SG-CD1 3.2Å; C230-I275 WeakPolarHBondContact SG-CG1 3.23Å |
| 231 | R | 95.6 | Very high | 96.3 | Very high | 155 Ų | 155 | 48.1 Ų | 48.1 | 59% | 0.585 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -73.4 | -32.4 | -174.8 | -70.6 | 177.5 | -172.4 | -89.9 | -5.6 | 113 | D227 F228 I233 P234 N235 | D227-R231 WeakPolarHBondContact O-CB 3.24Å; D227-R231 WeakPolarHBondContact O-CG 3.39Å; D227-R231 PolarHBondContact O-N 3.23Å; D227-R231 IonicContact OD1-CZ 2.77Å; D227-R231 IonicContact OD1-NE 3.12Å; D227-R231 PolarHBondContact OD1-NE 3.21Å; D227-R231 IonicContact OD1-NH2 3.95Å; D227-R231 PolarHBondContact OD1-NH2 3.11Å; D227-R231 VanDerWaalsContact OD1-NH2 3.16Å; D227-R231 WeakPolarHBondContact OD2-CD 3.36Å; D227-R231 IonicContact OD2-CZ 3.3Å; D227-R231 IonicContact OD2-NE 2.97Å; D227-R231 PolarHBondContact OD2-NE 3Å; F228-R231 PolarHBondContact O-N 3.15Å; R231-I233 VanDerWaalsContact C-N 3.27Å; R231-I233 PolarHBondContact O-N 2.91Å; R231-P234 WeakPolarHBondContact O-CD 3.38Å; R231-N235 WeakPolarHBondContact O-CB 3.34Å; R231-N235 PolarHBondContact O-ND2 3.29Å |
| 232 | I | 97.3 | Very high | 96.4 | Very high | 21 Ų | 21 | 49.3 Ų | 49.3 | 11% | 0.108 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.7 | -26 | -176.3 | -162 | 56.1 | 0 | 0 | 0 | 112.2 | L185 L192 F228 M229 N235 F236 | L185-I232 HydrophobicContact CD1-CD1 4.14Å; L185-I232 HydrophobicContact CD1-CG1 4.24Å; L192-I232 HydrophobicContact CD2-CG1 4Å; L192-I232 HydrophobicContact CD2-CG2 4.08Å; F228-I232 HydrophobicContact CD1-CB 4.41Å; F228-I232 HydrophobicContact CD1-CG2 4.41Å; F228-I232 HydrophobicContact CE1-CB 3.99Å; F228-I232 HydrophobicContact CE1-CG1 4.08Å; F228-I232 HydrophobicContact CE1-CG2 4.17Å; F228-I232 HydrophobicContact CZ-CB 4.28Å; F228-I232 HydrophobicContact CZ-CD1 4.14Å; F228-I232 HydrophobicContact CZ-CG1 4.1Å; F228-I232 WeakPolarHBondContact O-CB 3.42Å; F228-I232 WeakPolarHBondContact O-CG2 3.47Å; F228-I232 PolarHBondContact O-N 3Å; M229-I232 WeakPolarHBondContact O-CG2 3.46Å; I232-N235 PolarHBondContact O-N 3.48Å; I232-F236 HydrophobicContact CD1-CB 3.96Å; I232-F236 HydrophobicContact CD1-CD2 4.1Å; I232-F236 HydrophobicContact CG1-CB 4.09Å; I232-F236 HydrophobicContact CG1-CD2 4.42Å; I232-F236 VanDerWaalsContact O-CB 3.23Å; I232-F236 WeakPolarHBondContact O-CB 3.43Å; I232-F236 PolarHBondContact O-N 3.02Å |
| 233 | I | 96.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.9 | -59.3 | -179.4 | -68.4 | 163.4 | 0 | 0 | 0 | 112.3 | M229 R231 N235 E241 V244 R245 V248 | M229-I233 WeakPolarHBondContact O-CD1 3.48Å; M229-I233 WeakPolarHBondContact O-CG1 3.24Å; R231-I233 VanDerWaalsContact C-N 3.27Å; R231-I233 PolarHBondContact O-N 2.91Å; I233-N235 VanDerWaalsContact C-N 3.34Å; I233-E241 HydrophobicContact CG2-CG 4.33Å; I233-V244 HydrophobicContact CG1-CG1 4.43Å; I233-R245 HydrophobicContact CG2-CB 3.76Å; I233-R245 HydrophobicContact CG2-CG 4.28Å; I233-V248 HydrophobicContact CD1-CB 4.43Å; I233-V248 HydrophobicContact CD1-CG1 4.29Å; I233-V248 HydrophobicContact CD1-CG2 4.45Å; I233-V248 HydrophobicContact CG1-CG2 4.1Å |
| 234 | P | 97.3 | Very high | 96.9 | Very high | 46 Ų | 46 | 49.9 Ų | 49.9 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -78.3 | -16.4 | 179.1 | 30.6 | -36 | 0 | 0 | 0 | 113.7 | C230 R231 E241 | C230-P234 WeakPolarHBondContact O-CD 3.36Å; R231-P234 WeakPolarHBondContact O-CD 3.38Å; P234-E241 HydrophobicContact CB-CG 4.46Å |
| 235 | N | 98 | Very high | 97 | Very high | 114 Ų | 114 | 51.5 Ų | 51.5 | 61% | 0.61 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -107.9 | -12.2 | -169.7 | -65.7 | -67.7 | 0 | 0 | 0 | 115.3 | R231 I232 I233 | R231-N235 WeakPolarHBondContact O-CB 3.34Å; R231-N235 PolarHBondContact O-ND2 3.29Å; I232-N235 PolarHBondContact O-N 3.48Å; I233-N235 VanDerWaalsContact C-N 3.34Å |
| 236 | F | 98.1 | Very high | 97 | Very high | 38 Ų | 38 | 56.3 Ų | 56.3 | 17% | 0.167 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -61.4 | -53.3 | -178.8 | 178.4 | -103.9 | 0 | 0 | 0 | 111.6 | L84 L185 Y189 L192 F193 I232 V244 | L84-F236 HydrophobicContact CD1-CE1 4.1Å; L84-F236 HydrophobicContact CD2-CE1 3.85Å; L84-F236 HydrophobicContact CD2-CZ 3.88Å; L185-F236 HydrophobicContact CD1-CD2 4.22Å; L185-F236 HydrophobicContact CD1-CE2 4.22Å; Y189-F236 HydrophobicContact CE2-CE2 4.2Å; L192-F236 HydrophobicContact CD1-CD1 4.15Å; L192-F236 HydrophobicContact CD1-CD2 3.52Å; L192-F236 HydrophobicContact CD1-CE1 4.06Å; L192-F236 HydrophobicContact CD1-CE2 3.41Å; L192-F236 VanDerWaalsContact CD1-CE2 3.41Å; L192-F236 HydrophobicContact CD1-CG 3.89Å; L192-F236 HydrophobicContact CD1-CZ 3.69Å; F193-F236 HydrophobicContact CE2-CD1 4.02Å; F193-F236 AromaticContact CE2-CE1 3.69Å; F193-F236 HydrophobicContact CE2-CE1 3.69Å; F193-F236 HydrophobicContact CZ-CD1 4.45Å; F193-F236 HydrophobicContact CZ-CE1 4.32Å; I232-F236 HydrophobicContact CD1-CB 3.96Å; I232-F236 HydrophobicContact CD1-CD2 4.1Å; I232-F236 HydrophobicContact CG1-CB 4.09Å; I232-F236 HydrophobicContact CG1-CD2 4.42Å; I232-F236 VanDerWaalsContact O-CB 3.23Å; I232-F236 WeakPolarHBondContact O-CB 3.43Å; I232-F236 PolarHBondContact O-N 3.02Å; F236-V244 HydrophobicContact CB-CG2 4.34Å; F236-V244 HydrophobicContact CD1-CG2 4Å |
| 237 | Y | 98.1 | Very high | 97.2 | Very high | 65 Ų | 65 | 55.4 Ų | 55.4 | 26% | 0.255 | 29% | 0.29 | S | S | . | . | trans | -156.7 | 100.2 | 169.7 | -179.1 | -122.4 | 0 | 0 | 0 | 107.5 | I67 I80 P239 L240 E241 | I67-Y237 HydrophobicContact CD1-CE2 4.13Å; I80-Y237 HydrophobicContact CG2-CD1 4.42Å; I80-Y237 HydrophobicContact CG2-CE1 4.01Å; Y237-P239 VanDerWaalsContact C-N 3.32Å; Y237-P239 HydrophobicContact CD1-CB 4.3Å; Y237-P239 HydrophobicContact CD1-CG 4.42Å; Y237-P239 HydrophobicContact CD2-CG 4.46Å; Y237-P239 HydrophobicContact CE1-CB 3.77Å; Y237-P239 HydrophobicContact CE1-CG 3.92Å; Y237-P239 HydrophobicContact CE2-CG 3.94Å; Y237-P239 VanDerWaalsContact O-N 3.15Å; Y237-L240 HydrophobicContact CD1-CB 3.84Å; Y237-L240 HydrophobicContact CD1-CD1 3.61Å; Y237-L240 HydrophobicContact CD1-CG 3.5Å; Y237-L240 HydrophobicContact CE1-CD1 3.97Å; Y237-L240 HydrophobicContact CE1-CG 3.8Å; Y237-L240 CarbonylContact O-C 3.55Å; Y237-L240 WeakPolarHBondContact O-CA 3.39Å; Y237-L240 PolarHBondContact O-N 3.33Å; Y237-E241 PolarHBondContact O-N 2.89Å | ||
| 238 | P | 98.3 | Very high | 97.3 | Very high | 83 Ų | 83 | 52.2 Ų | 52.2 | 54% | 0.539 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -51.1 | -39.4 | -169.9 | -27.6 | 33.1 | 0 | 0 | 0 | 115.3 | L240 E241 | P238-L240 PolarHBondContact O-N 2.77Å; P238-L240 VanDerWaalsContact O-N 3.1Å; P238-E241 WeakPolarHBondContact O-CB 3.22Å; P238-E241 PolarHBondContact O-N 3.32Å |
| 239 | P | 98.3 | Very high | 97.2 | Very high | 92 Ų | 92 | 53.1 Ų | 53.1 | 60% | 0.597 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -61.6 | -20.1 | 176.4 | -25 | 36.4 | 0 | 0 | 0 | 114.8 | Y237 | Y237-P239 VanDerWaalsContact C-N 3.32Å; Y237-P239 HydrophobicContact CD1-CB 4.3Å; Y237-P239 HydrophobicContact CD1-CG 4.42Å; Y237-P239 HydrophobicContact CD2-CG 4.46Å; Y237-P239 HydrophobicContact CE1-CB 3.77Å; Y237-P239 HydrophobicContact CE1-CG 3.92Å; Y237-P239 HydrophobicContact CE2-CG 3.94Å; Y237-P239 VanDerWaalsContact O-N 3.15Å |
| 240 | L | 98.4 | Very high | 97.2 | Very high | 20 Ų | 20 | 54.2 Ų | 54.2 | 11% | 0.105 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -110.6 | 18.1 | 176.6 | -63.4 | 178.7 | 0 | 0 | 0 | 112.9 | I80 L81 L84 F193 Y237 P238 G242 H243 V244 | I80-L240 HydrophobicContact CG2-CD1 4.13Å; L81-L240 HydrophobicContact CB-CD1 4.13Å; L81-L240 HydrophobicContact CD1-CD1 4Å; L81-L240 HydrophobicContact CD1-CD2 4.3Å; L81-L240 HydrophobicContact CD2-CD2 4.42Å; L84-L240 HydrophobicContact CD1-CD1 4.08Å; F193-L240 HydrophobicContact CE1-CB 4.42Å; F193-L240 HydrophobicContact CE1-CD1 4.2Å; F193-L240 HydrophobicContact CZ-CB 4.29Å; F193-L240 HydrophobicContact CZ-CD1 4.14Å; Y237-L240 HydrophobicContact CD1-CB 3.84Å; Y237-L240 HydrophobicContact CD1-CD1 3.61Å; Y237-L240 HydrophobicContact CD1-CG 3.5Å; Y237-L240 HydrophobicContact CE1-CD1 3.97Å; Y237-L240 HydrophobicContact CE1-CG 3.8Å; Y237-L240 CarbonylContact O-C 3.55Å; Y237-L240 WeakPolarHBondContact O-CA 3.39Å; Y237-L240 PolarHBondContact O-N 3.33Å; P238-L240 PolarHBondContact O-N 2.77Å; P238-L240 VanDerWaalsContact O-N 3.1Å; L240-G242 PolarHBondContact O-N 2.89Å; L240-G242 VanDerWaalsContact O-N 3.16Å; L240-H243 HydrophobicContact CB-CB 4.4Å; L240-H243 WeakPolarHBondContact O-CB 3.33Å; L240-H243 PolarHBondContact O-N 3.41Å; L240-V244 PolarHBondContact O-N 3.46Å |
| 241 | E | 98.3 | Very high | 97.5 | Very high | 66 Ų | 66 | 52.6 Ų | 52.6 | 31% | 0.308 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -48.5 | -46.8 | 179.1 | 176 | -175 | 162.2 | 0 | 0 | 112 | I233 P234 Y237 P238 H243 V244 R245 | I233-E241 HydrophobicContact CG2-CG 4.33Å; P234-E241 HydrophobicContact CB-CG 4.46Å; Y237-E241 PolarHBondContact O-N 2.89Å; P238-E241 WeakPolarHBondContact O-CB 3.22Å; P238-E241 PolarHBondContact O-N 3.32Å; E241-H243 VanDerWaalsContact C-N 3.27Å; E241-H243 PolarHBondContact O-N 3.33Å; E241-V244 PolarHBondContact O-N 3.3Å; E241-V244 VanDerWaalsContact O-N 3.12Å; E241-R245 WeakPolarHBondContact O-CB 3.19Å; E241-R245 PolarHBondContact O-N 2.93Å; E241-R245 IonicContact OE1-CZ 3.23Å; E241-R245 IonicContact OE1-NE 3.39Å; E241-R245 IonicContact OE1-NH2 3.84Å; E241-R245 PolarHBondContact OE1-NH2 3.48Å |
| 242 | G | 97.7 | Very high | 97.4 | Very high | 52 Ų | 52 | 45.5 Ų | 45.5 | 54% | 0.536 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.7 | -38.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | L240 Q246 | L240-G242 PolarHBondContact O-N 2.89Å; L240-G242 VanDerWaalsContact O-N 3.16Å; G242-Q246 WeakPolarHBondContact O-CB 3.4Å; G242-Q246 PolarHBondContact O-N 3.44Å |
| 243 | H | 98.6 | Very high | 97.1 | Very high | 82 Ų | 82 | 46.7 Ų | 46.7 | 38% | 0.38 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.1 | -41.1 | 176 | -66.5 | 79 | 0 | 0 | 0 | 111.4 | F193 L240 E241 Q246 G247 | F193-H243 HydrophobicContact CD1-CB 4.02Å; F193-H243 HydrophobicContact CE1-CB 3.56Å; L240-H243 HydrophobicContact CB-CB 4.4Å; L240-H243 WeakPolarHBondContact O-CB 3.33Å; L240-H243 PolarHBondContact O-N 3.41Å; E241-H243 VanDerWaalsContact C-N 3.27Å; E241-H243 PolarHBondContact O-N 3.33Å; H243-Q246 PolarHBondContact O-N 3.01Å; H243-G247 PolarHBondContact O-N 2.82Å |
| 244 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 178.4 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | L192 F193 I233 F236 L240 E241 Q246 G247 V248 | L192-V244 HydrophobicContact CB-CG1 4.4Å; L192-V244 HydrophobicContact CD2-CG1 3.75Å; L192-V244 VanDerWaalsContact O-CA 3.26Å; L192-V244 WeakPolarHBondContact O-CA 3.08Å; F193-V244 HydrophobicContact CE1-CG2 4.39Å; F193-V244 HydrophobicContact CE2-CG2 3.89Å; F193-V244 HydrophobicContact CZ-CG2 3.63Å; I233-V244 HydrophobicContact CG1-CG1 4.43Å; F236-V244 HydrophobicContact CB-CG2 4.34Å; F236-V244 HydrophobicContact CD1-CG2 4Å; L240-V244 PolarHBondContact O-N 3.46Å; E241-V244 PolarHBondContact O-N 3.3Å; E241-V244 VanDerWaalsContact O-N 3.12Å; V244-Q246 VanDerWaalsContact C-N 3.31Å; V244-Q246 PolarHBondContact O-N 3.27Å; V244-G247 PolarHBondContact O-N 3.43Å; V244-V248 WeakPolarHBondContact O-CG2 3.4Å; V244-V248 PolarHBondContact O-N 3.31Å |
| 245 | R | 97.4 | Very high | 96.9 | Very high | 86 Ų | 86 | 45.3 Ų | 45.3 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57 | -46.4 | 174.7 | -174.3 | -178.4 | -64.5 | -89.5 | -1.5 | 111 | I233 E241 V248 F249 L277 | I233-R245 HydrophobicContact CG2-CB 3.76Å; I233-R245 HydrophobicContact CG2-CG 4.28Å; E241-R245 WeakPolarHBondContact O-CB 3.19Å; E241-R245 PolarHBondContact O-N 2.93Å; E241-R245 IonicContact OE1-CZ 3.23Å; E241-R245 IonicContact OE1-NE 3.39Å; E241-R245 IonicContact OE1-NH2 3.84Å; E241-R245 PolarHBondContact OE1-NH2 3.48Å; R245-V248 PolarHBondContact O-N 2.89Å; R245-F249 WeakPolarHBondContact O-CB 3.42Å; R245-F249 PolarHBondContact O-N 3.42Å; R245-L277 HydrophobicContact CG-CD2 4.45Å |
| 246 | Q | 96.8 | Very high | 96.5 | Very high | 101 Ų | 101 | 42.4 Ų | 42.4 | 47% | 0.472 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.3 | -42.1 | 178.1 | -176.1 | 58.6 | 45.9 | 0 | 0 | 112.1 | G242 H243 V244 F249 S250 | G242-Q246 WeakPolarHBondContact O-CB 3.4Å; G242-Q246 PolarHBondContact O-N 3.44Å; H243-Q246 PolarHBondContact O-N 3.01Å; V244-Q246 VanDerWaalsContact C-N 3.31Å; V244-Q246 PolarHBondContact O-N 3.27Å; Q246-F249 PolarHBondContact O-N 3.16Å; Q246-S250 PolarHBondContact NE2-OG 3.13Å; Q246-S250 WeakPolarHBondContact O-CB 3.39Å; Q246-S250 PolarHBondContact O-N 2.87Å; Q246-S250 PolarHBondContact O-OG 3.37Å |
| 247 | G | 98 | Very high | 96.2 | Very high | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | W191 H243 V244 F249 S250 S251 | W191-G247 CarbonylContact O-C 3.59Å; W191-G247 WeakPolarHBondContact O-CA 3.43Å; H243-G247 PolarHBondContact O-N 2.82Å; V244-G247 PolarHBondContact O-N 3.43Å; G247-F249 PolarHBondContact O-N 3.33Å; G247-S250 PolarHBondContact O-N 3.02Å; G247-S251 WeakPolarHBondContact O-CB 3.34Å; G247-S251 PolarHBondContact O-N 2.83Å; G247-S251 PolarHBondContact O-OG 3.06Å |
| 248 | V | 97.1 | Very high | 96 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 176.2 | 175.2 | 0 | 0 | 0 | 0 | 111 | W191 M229 I233 V244 R245 S251 L252 | W191-V248 HydrophobicContact CE3-CG1 4.45Å; W191-V248 PolarHBondContact O-N 2.97Å; M229-V248 HydrophobicContact CG-CG1 4.05Å; M229-V248 HydrophobicContact SD-CG1 3.96Å; I233-V248 HydrophobicContact CD1-CB 4.43Å; I233-V248 HydrophobicContact CD1-CG1 4.29Å; I233-V248 HydrophobicContact CD1-CG2 4.45Å; I233-V248 HydrophobicContact CG1-CG2 4.1Å; V244-V248 WeakPolarHBondContact O-CG2 3.4Å; V244-V248 PolarHBondContact O-N 3.31Å; R245-V248 PolarHBondContact O-N 2.89Å; V248-S251 WeakPolarHBondContact O-CB 3.39Å; V248-S251 PolarHBondContact O-N 2.82Å; V248-L252 HydrophobicContact CG1-CD1 4.22Å; V248-L252 WeakPolarHBondContact O-CG 3.23Å; V248-L252 PolarHBondContact O-N 2.99Å |
| 249 | F | 94.5 | Very high | 95.6 | Very high | 48 Ų | 48 | 56.2 Ų | 56.2 | 21% | 0.211 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.9 | -50 | 175.7 | -176 | -114.5 | 0 | 0 | 0 | 112.3 | R245 Q246 G247 S251 L252 N253 W267 L277 | R245-F249 WeakPolarHBondContact O-CB 3.42Å; R245-F249 PolarHBondContact O-N 3.42Å; Q246-F249 PolarHBondContact O-N 3.16Å; G247-F249 PolarHBondContact O-N 3.33Å; F249-S251 VanDerWaalsContact C-N 3.27Å; F249-S251 PolarHBondContact O-N 3.31Å; F249-L252 PolarHBondContact O-N 3.18Å; F249-N253 WeakPolarHBondContact CD1-ND2 3.38Å; F249-N253 WeakPolarHBondContact CE1-ND2 3.35Å; F249-N253 WeakPolarHBondContact CZ-ND2 3.35Å; F249-N253 PolarHBondContact O-N 2.9Å; F249-W267 HydrophobicContact CD2-CH2 4.22Å; F249-W267 AromaticContact CE2-CH2 3.71Å; F249-W267 HydrophobicContact CE2-CH2 3.71Å; F249-W267 HydrophobicContact CE2-CZ3 4.13Å; F249-L277 HydrophobicContact CB-CD2 3.59Å; F249-L277 HydrophobicContact CD2-CB 3.88Å; F249-L277 HydrophobicContact CD2-CD1 4.24Å; F249-L277 HydrophobicContact CD2-CD2 3.54Å; F249-L277 HydrophobicContact CD2-CG 4.02Å; F249-L277 HydrophobicContact CE2-CB 4.15Å; F249-L277 HydrophobicContact CG-CD2 3.96Å |
| 250 | S | 96.3 | Very high | 95.2 | Very high | 25 Ų | 25 | 53.3 Ų | 53.3 | 18% | 0.175 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.6 | -39 | 177.3 | -71.9 | 0 | 0 | 0 | 0 | 111.5 | Q246 G247 H254 | Q246-S250 PolarHBondContact NE2-OG 3.13Å; Q246-S250 WeakPolarHBondContact O-CB 3.39Å; Q246-S250 PolarHBondContact O-N 2.87Å; Q246-S250 PolarHBondContact O-OG 3.37Å; G247-S250 PolarHBondContact O-N 3.02Å; S250-H254 VanDerWaalsContact O-CB 3.28Å; S250-H254 WeakPolarHBondContact O-CB 3.33Å; S250-H254 PolarHBondContact O-N 3.41Å |
| 251 | S | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.2 | -49.8 | 174.1 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | W191 F194 G247 V248 F249 H254 I255 | W191-S251 VanDerWaalsContact CE3-CB 3.43Å; F194-S251 WeakPolarHBondContact CB-OG 3.4Å; F194-S251 WeakPolarHBondContact CG-OG 3.46Å; G247-S251 WeakPolarHBondContact O-CB 3.34Å; G247-S251 PolarHBondContact O-N 2.83Å; G247-S251 PolarHBondContact O-OG 3.06Å; V248-S251 WeakPolarHBondContact O-CB 3.39Å; V248-S251 PolarHBondContact O-N 2.82Å; F249-S251 VanDerWaalsContact C-N 3.27Å; F249-S251 PolarHBondContact O-N 3.31Å; S251-H254 PolarHBondContact O-N 3.27Å; S251-I255 WeakPolarHBondContact O-CB 3.37Å; S251-I255 WeakPolarHBondContact O-CD1 3.48Å; S251-I255 VanDerWaalsContact O-CG1 3.28Å; S251-I255 WeakPolarHBondContact O-CG1 3.28Å; S251-I255 PolarHBondContact O-N 3.33Å |
| 252 | L | 94.3 | Very high | 93 | Very high | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.7 | -42.8 | -179.7 | -71.1 | 168.1 | 0 | 0 | 0 | 112.4 | W191 V248 F249 I255 V256 W267 L270 L277 | W191-L252 HydrophobicContact CH2-CD2 4.22Å; W191-L252 HydrophobicContact CZ3-CD2 3.8Å; W191-L252 HydrophobicContact CZ3-CG 4.02Å; V248-L252 HydrophobicContact CG1-CD1 4.22Å; V248-L252 WeakPolarHBondContact O-CG 3.23Å; V248-L252 PolarHBondContact O-N 2.99Å; F249-L252 PolarHBondContact O-N 3.18Å; L252-I255 PolarHBondContact O-N 3.23Å; L252-V256 PolarHBondContact O-N 3.02Å; L252-W267 HydrophobicContact CB-CZ2 4.2Å; L252-L270 HydrophobicContact CD1-CD1 3.98Å; L252-L270 HydrophobicContact CD2-CD1 3.86Å; L252-L277 HydrophobicContact CD1-CD1 3.78Å |
| 253 | N | 91.7 | Very high | 91.1 | Very high | 45 Ų | 45 | 55.7 Ų | 55.7 | 24% | 0.241 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61 | -48 | 175 | -73.4 | -24.9 | 0 | 0 | 0 | 110.9 | F249 I255 V256 E257 W267 | F249-N253 WeakPolarHBondContact CD1-ND2 3.38Å; F249-N253 WeakPolarHBondContact CE1-ND2 3.35Å; F249-N253 WeakPolarHBondContact CZ-ND2 3.35Å; F249-N253 PolarHBondContact O-N 2.9Å; N253-I255 VanDerWaalsContact C-N 3.3Å; N253-I255 PolarHBondContact O-N 3.17Å; N253-V256 PolarHBondContact O-N 3.05Å; N253-E257 WeakPolarHBondContact O-CG 3.36Å; N253-E257 PolarHBondContact O-N 3.33Å; N253-W267 WeakPolarHBondContact OD1-CH2 3.4Å; N253-W267 WeakPolarHBondContact OD1-CZ2 3.38Å |
| 254 | H | 94.9 | Very high | 89 | Confident | 19 Ų | 19 | 59.6 Ų | 59.6 | 9% | 0.088 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.2 | -36.4 | -178.8 | -159.8 | 66.1 | 0 | 0 | 0 | 112.5 | F194 S250 S251 V256 E257 K258 | F194-H254 HydrophobicContact CE1-CB 3.81Å; F194-H254 AromaticContact CE1-CG 3.99Å; F194-H254 HydrophobicContact CZ-CB 4.19Å; F194-H254 AromaticContact CZ-CD2 3.68Å; S250-H254 VanDerWaalsContact O-CB 3.28Å; S250-H254 WeakPolarHBondContact O-CB 3.33Å; S250-H254 PolarHBondContact O-N 3.41Å; S251-H254 PolarHBondContact O-N 3.27Å; H254-V256 VanDerWaalsContact C-N 3.31Å; H254-V256 PolarHBondContact O-N 3.44Å; H254-E257 IonicContact ND1-OE2 3.14Å; H254-E257 PolarHBondContact O-N 3.44Å; H254-K258 WeakPolarHBondContact CE1-CE 3.32Å; H254-K258 WeakPolarHBondContact NE2-CE 3.43Å; H254-K258 WeakPolarHBondContact O-CB 3.31Å; H254-K258 VanDerWaalsContact O-CG 3.31Å; H254-K258 WeakPolarHBondContact O-CG 3.28Å; H254-K258 PolarHBondContact O-N 2.95Å |
| 255 | I | 94.3 | Very high | 86.9 | Confident | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 172.9 | -78.1 | 160.9 | 0 | 0 | 0 | 111.8 | W191 I201 I204 I208 S251 L252 N253 R259 V260 L261 | W191-I255 HydrophobicContact CH2-CD1 3.28Å; W191-I255 HydrophobicContact CZ2-CD1 3.64Å; W191-I255 HydrophobicContact CZ3-CD1 4.04Å; I201-I255 HydrophobicContact CD1-CB 4.44Å; I201-I255 HydrophobicContact CD1-CG1 3.7Å; I204-I255 HydrophobicContact CD1-CD1 4.02Å; I204-I255 HydrophobicContact CD1-CG1 3.94Å; I204-I255 HydrophobicContact CG1-CD1 4.39Å; I204-I255 HydrophobicContact CG1-CG1 4.37Å; I208-I255 HydrophobicContact CB-CD1 4.03Å; I208-I255 HydrophobicContact CG1-CD1 4.41Å; I208-I255 HydrophobicContact CG1-CG2 4.29Å; I208-I255 HydrophobicContact CG2-CD1 3.74Å; I208-I255 HydrophobicContact CG2-CG1 4.21Å; I208-I255 HydrophobicContact CG2-CG2 4.1Å; S251-I255 WeakPolarHBondContact O-CB 3.37Å; S251-I255 WeakPolarHBondContact O-CD1 3.48Å; S251-I255 VanDerWaalsContact O-CG1 3.28Å; S251-I255 WeakPolarHBondContact O-CG1 3.28Å; S251-I255 PolarHBondContact O-N 3.33Å; L252-I255 PolarHBondContact O-N 3.23Å; N253-I255 VanDerWaalsContact C-N 3.3Å; N253-I255 PolarHBondContact O-N 3.17Å; I255-R259 PolarHBondContact O-N 3.36Å; I255-V260 HydrophobicContact CG2-CB 4.09Å; I255-V260 HydrophobicContact CG2-CG1 4.38Å; I255-V260 PolarHBondContact O-N 2.8Å; I255-L261 HydrophobicContact CG2-CB 4.4Å; I255-L261 HydrophobicContact CG2-CG 4.47Å |
| 256 | V | 89.6 | Confident | 84.9 | Confident | 52 Ų | 52 | 64.1 Ų | 64.1 | 32% | 0.315 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -72.2 | -45.7 | 177.6 | 174 | 0 | 0 | 0 | 0 | 111.1 | L252 N253 H254 K258 R259 W267 | L252-V256 PolarHBondContact O-N 3.02Å; N253-V256 PolarHBondContact O-N 3.05Å; H254-V256 VanDerWaalsContact C-N 3.31Å; H254-V256 PolarHBondContact O-N 3.44Å; V256-K258 VanDerWaalsContact C-N 3.31Å; V256-K258 PolarHBondContact O-N 2.95Å; V256-R259 WeakPolarHBondContact O-CA 3.34Å; V256-R259 PolarHBondContact O-N 3.35Å; V256-W267 VanDerWaalsContact CG2-NE1 3.28Å |
| 257 | E | 92.5 | Very high | 82.9 | Confident | 135 Ų | 135 | 61.7 Ų | 61.7 | 63% | 0.631 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -57.9 | -43.4 | 178.2 | -72.8 | 168.2 | -173.3 | 0 | 0 | 111.8 | N253 H254 R259 | N253-E257 WeakPolarHBondContact O-CG 3.36Å; N253-E257 PolarHBondContact O-N 3.33Å; H254-E257 IonicContact ND1-OE2 3.14Å; H254-E257 PolarHBondContact O-N 3.44Å; E257-R259 PolarHBondContact O-N 3.04Å |
| 258 | K | 93.3 | Very high | 80.7 | Confident | 126 Ų | 126 | 66.6 Ų | 66.6 | 55% | 0.548 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 1.9 | 176.6 | -63.3 | -62.9 | -178 | -177.6 | 0 | 113.8 | I201 H254 V256 V260 | I201-K258 HydrophobicContact CB-CG 4.36Å; I201-K258 HydrophobicContact CD1-CB 4.35Å; I201-K258 HydrophobicContact CD1-CG 4.48Å; I201-K258 HydrophobicContact CG1-CB 4.11Å; I201-K258 HydrophobicContact CG1-CG 4.21Å; H254-K258 WeakPolarHBondContact CE1-CE 3.32Å; H254-K258 WeakPolarHBondContact NE2-CE 3.43Å; H254-K258 WeakPolarHBondContact O-CB 3.31Å; H254-K258 VanDerWaalsContact O-CG 3.31Å; H254-K258 WeakPolarHBondContact O-CG 3.28Å; H254-K258 PolarHBondContact O-N 2.95Å; V256-K258 VanDerWaalsContact C-N 3.31Å; V256-K258 PolarHBondContact O-N 2.95Å; K258-V260 HydrophobicContact CB-CG2 4.35Å; K258-V260 PolarHBondContact O-N 3.35Å |
| 259 | R | 90.9 | Very high | 78.7 | Confident | 215 Ų | 215 | 73.3 Ų | 73.3 | 81% | 0.811 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 27.7 | 178.3 | -54.3 | -177.5 | 179 | -174 | -0.7 | 114.1 | I255 V256 E257 L261 | I255-R259 PolarHBondContact O-N 3.36Å; V256-R259 WeakPolarHBondContact O-CA 3.34Å; V256-R259 PolarHBondContact O-N 3.35Å; E257-R259 PolarHBondContact O-N 3.04Å; R259-L261 PolarHBondContact O-N 3.18Å |
| 260 | V | 89.5 | Confident | 76.8 | Confident | 32 Ų | 32 | 71.2 Ų | 71.2 | 19% | 0.194 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -61.3 | -37.2 | 171.2 | 171.4 | 0 | 0 | 0 | 0 | 109.9 | I201 E205 I208 L209 I255 K258 | I201-V260 HydrophobicContact CD1-CG2 3.86Å; I201-V260 HydrophobicContact CG1-CG2 3.71Å; E205-V260 HydrophobicContact CB-CG1 3.93Å; E205-V260 HydrophobicContact CB-CG2 4.36Å; I208-V260 HydrophobicContact CG2-CG1 4.07Å; L209-V260 HydrophobicContact CD1-CG1 4.24Å; L209-V260 HydrophobicContact CD2-CG1 3.94Å; L209-V260 HydrophobicContact CG-CG1 3.99Å; I255-V260 HydrophobicContact CG2-CB 4.09Å; I255-V260 HydrophobicContact CG2-CG1 4.38Å; I255-V260 PolarHBondContact O-N 2.8Å; K258-V260 HydrophobicContact CB-CG2 4.35Å; K258-V260 PolarHBondContact O-N 3.35Å |
| 261 | L | 84.9 | Confident | 74.7 | Confident | 16 Ų | 16 | 77.5 Ų | 77.5 | 8% | 0.084 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -123 | 124.8 | 164.5 | -70.6 | -175.1 | 0 | 0 | 0 | 110.4 | I208 L209 H212 I255 R259 C263 Y266 | I208-L261 HydrophobicContact CD1-CD1 3.87Å; I208-L261 HydrophobicContact CG1-CD1 3.36Å; I208-L261 HydrophobicContact CG1-CG 4.13Å; L209-L261 HydrophobicContact CD2-CD2 4.27Å; H212-L261 HydrophobicContact CB-CD2 3.9Å; I255-L261 HydrophobicContact CG2-CB 4.4Å; I255-L261 HydrophobicContact CG2-CG 4.47Å; R259-L261 PolarHBondContact O-N 3.18Å; L261-C263 PolarHBondContact O-N 2.95Å; L261-Y266 HydrophobicContact CD1-CD2 3.76Å; L261-Y266 HydrophobicContact CD1-CE2 4.12Å; L261-Y266 HydrophobicContact CD1-CG 4.18Å |
| 262 | A | 65.8 | Low | 72.3 | Confident | 106 Ų | 106 | 83.7 Ų | 83.7 | 88% | 0.876 | 40% | 0.399 | S | S | * | . | trans | -76.6 | -18.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 263 | C | 57.7 | Low | 70.2 | Confident | 66 Ų | 66 | 87.8 Ų | 87.8 | 45% | 0.446 | 42% | 0.42 | S | S | . | . | trans | -118.3 | 130.5 | -167.2 | -166.2 | 0 | 0 | 0 | 0 | 114 | L261 K265 | L261-C263 PolarHBondContact O-N 2.95Å; C263-K265 PolarHBondContact O-N 3.2Å; C263-K265 PolarHBondContact SG-N 3.12Å | ||
| 264 | K | 53.9 | Low | 67.9 | Low | 163 Ų | 163 | 88.4 Ų | 88.4 | 71% | 0.709 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 1.8 | 167 | -67 | -176.6 | 178.4 | -179.6 | 0 | 114.2 | Y266 W267 L268 | K264-Y266 VanDerWaalsContact C-N 3.26Å; K264-Y266 PolarHBondContact O-N 2.86Å; K264-W267 HydrophobicContact CB-CB 4.28Å; K264-W267 WeakPolarHBondContact O-CA 3.35Å; K264-W267 WeakPolarHBondContact O-CB 3.22Å; K264-W267 PolarHBondContact O-N 3.3Å; K264-L268 PolarHBondContact O-N 3.49Å |
| 265 | K | 54.2 | Low | 65.8 | Low | 155 Ų | 155 | 88.1 Ų | 88.1 | 67% | 0.674 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.9 | -35.5 | 175.3 | -91.6 | -177.1 | 175.3 | -178.2 | 0 | 112.6 | C263 W267 L268 Y269 | C263-K265 PolarHBondContact O-N 3.2Å; C263-K265 PolarHBondContact SG-N 3.12Å; K265-W267 VanDerWaalsContact C-N 3.33Å; K265-L268 WeakPolarHBondContact O-CB 3.37Å; K265-L268 PolarHBondContact O-N 2.8Å; K265-Y269 PolarHBondContact O-N 3.23Å; K265-Y269 VanDerWaalsContact O-N 3.12Å |
| 266 | Y | 55.8 | Low | 63.5 | Low | 27 Ų | 27 | 92.2 Ų | 92.2 | 11% | 0.106 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -67.4 | -34.8 | 171.8 | -73.6 | -81.9 | 0 | 0 | 0 | 112.2 | H212 M215 L261 K264 L268 Y269 L270 | H212-Y266 WeakPolarHBondContact CA-OH 3.13Å; H212-Y266 AromaticContact ND1-CE2 3.31Å; H212-Y266 VanDerWaalsContact ND1-CE2 3.31Å; H212-Y266 WeakPolarHBondContact ND1-CE2 2.99Å; H212-Y266 AromaticContact ND1-CZ 3.37Å; H212-Y266 PolarHBondContact ND1-OH 3.41Å; M215-Y266 WeakPolarHBondContact CE-OH 3.36Å; M215-Y266 HydrophobicContact SD-CE1 4.08Å; M215-Y266 PolarHBondContact SD-OH 3.33Å; M215-Y266 VanDerWaalsContact SD-OH 3.35Å; L261-Y266 HydrophobicContact CD1-CD2 3.76Å; L261-Y266 HydrophobicContact CD1-CE2 4.12Å; L261-Y266 HydrophobicContact CD1-CG 4.18Å; K264-Y266 VanDerWaalsContact C-N 3.26Å; K264-Y266 PolarHBondContact O-N 2.86Å; Y266-L268 VanDerWaalsContact C-N 3.26Å; Y266-L268 PolarHBondContact O-N 3Å; Y266-Y269 PolarHBondContact O-N 2.78Å; Y266-L270 WeakPolarHBondContact O-CB 3.31Å; Y266-L270 WeakPolarHBondContact O-CG 3.39Å; Y266-L270 PolarHBondContact O-N 3.35Å |
| 267 | W | 54.6 | Low | 61.5 | Low | 50 Ų | 50 | 91 Ų | 91 | 19% | 0.189 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.1 | -34.8 | 170.9 | -81.6 | 81 | 0 | 0 | 0 | 112.6 | F249 L252 N253 V256 K264 K265 R271 | F249-W267 HydrophobicContact CD2-CH2 4.22Å; F249-W267 AromaticContact CE2-CH2 3.71Å; F249-W267 HydrophobicContact CE2-CH2 3.71Å; F249-W267 HydrophobicContact CE2-CZ3 4.13Å; L252-W267 HydrophobicContact CB-CZ2 4.2Å; N253-W267 WeakPolarHBondContact OD1-CH2 3.4Å; N253-W267 WeakPolarHBondContact OD1-CZ2 3.38Å; V256-W267 VanDerWaalsContact CG2-NE1 3.28Å; K264-W267 HydrophobicContact CB-CB 4.28Å; K264-W267 WeakPolarHBondContact O-CA 3.35Å; K264-W267 WeakPolarHBondContact O-CB 3.22Å; K264-W267 PolarHBondContact O-N 3.3Å; K265-W267 VanDerWaalsContact C-N 3.33Å; W267-R271 VanDerWaalsContact O-CB 3.24Å; W267-R271 WeakPolarHBondContact O-CB 3.47Å; W267-R271 WeakPolarHBondContact O-CG 3.24Å; W267-R271 PolarHBondContact O-N 2.86Å |
| 268 | L | 51.3 | Low | 59.1 | Low | 106 Ų | 106 | 89.8 Ų | 89.8 | 56% | 0.555 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.3 | -44.4 | 173.9 | -138.7 | 85.8 | 0 | 0 | 0 | 111.1 | K264 K265 Y266 R271 L272 | K264-L268 PolarHBondContact O-N 3.49Å; K265-L268 WeakPolarHBondContact O-CB 3.37Å; K265-L268 PolarHBondContact O-N 2.8Å; Y266-L268 VanDerWaalsContact C-N 3.26Å; Y266-L268 PolarHBondContact O-N 3Å; L268-R271 PolarHBondContact O-N 3.45Å; L268-L272 VanDerWaalsContact O-CB 3.29Å; L268-L272 WeakPolarHBondContact O-CB 3.14Å; L268-L272 WeakPolarHBondContact O-CD1 3.47Å; L268-L272 WeakPolarHBondContact O-CG 3.29Å; L268-L272 PolarHBondContact O-N 3.4Å |
| 269 | Y | 55.2 | Low | 56.5 | Low | 144 Ų | 144 | 86.7 Ų | 86.7 | 57% | 0.565 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.4 | -40.1 | 175.6 | -93.4 | -87 | 0 | 0 | 0 | 113.1 | K265 Y266 L272 L273 | K265-Y269 PolarHBondContact O-N 3.23Å; K265-Y269 VanDerWaalsContact O-N 3.12Å; Y266-Y269 PolarHBondContact O-N 2.78Å; Y269-L272 PolarHBondContact O-N 3.28Å; Y269-L273 WeakPolarHBondContact O-CB 3.35Å; Y269-L273 WeakPolarHBondContact O-CG 3.16Å; Y269-L273 PolarHBondContact O-N 3.35Å |
| 270 | L | 55.8 | Low | 53.8 | Low | 4 Ų | 4 | 86 Ų | 86 | 2% | 0.021 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -66.4 | -42 | 175.1 | -68.9 | 166.5 | 0 | 0 | 0 | 111 | L226 M229 L252 Y266 L272 L273 I275 | L226-L270 HydrophobicContact CD2-CD2 3.63Å; M229-L270 HydrophobicContact CE-CD2 3.34Å; L252-L270 HydrophobicContact CD1-CD1 3.98Å; L252-L270 HydrophobicContact CD2-CD1 3.86Å; Y266-L270 WeakPolarHBondContact O-CB 3.31Å; Y266-L270 WeakPolarHBondContact O-CG 3.39Å; Y266-L270 PolarHBondContact O-N 3.35Å; L270-L272 PolarHBondContact O-N 2.97Å; L270-L273 PolarHBondContact O-N 3.39Å; L270-I275 HydrophobicContact CB-CD1 4.3Å; L270-I275 HydrophobicContact CD2-CD1 3.46Å; L270-I275 VanDerWaalsContact CD2-CD1 3.46Å; L270-I275 HydrophobicContact CG-CD1 4.48Å; L270-I275 WeakPolarHBondContact O-CB 3.17Å; L270-I275 PolarHBondContact O-N 3.05Å |
| 271 | R | 52.7 | Low | 52 | Low | 156 Ų | 156 | 88.8 Ų | 88.8 | 59% | 0.589 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60 | -41.9 | 170.2 | -90.5 | -176.8 | 168.2 | -172.9 | -4.1 | 112.3 | W267 L268 | W267-R271 VanDerWaalsContact O-CB 3.24Å; W267-R271 WeakPolarHBondContact O-CB 3.47Å; W267-R271 WeakPolarHBondContact O-CG 3.24Å; W267-R271 PolarHBondContact O-N 2.86Å; L268-R271 PolarHBondContact O-N 3.45Å |
| 272 | L | 46.4 | Very low | 50.3 | Low | 131 Ų | 131 | 92.6 Ų | 92.6 | 69% | 0.686 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.9 | -29.8 | -179.5 | -75.7 | 164.6 | 0 | 0 | 0 | 113 | L268 Y269 L270 G274 | L268-L272 VanDerWaalsContact O-CB 3.29Å; L268-L272 WeakPolarHBondContact O-CB 3.14Å; L268-L272 WeakPolarHBondContact O-CD1 3.47Å; L268-L272 WeakPolarHBondContact O-CG 3.29Å; L268-L272 PolarHBondContact O-N 3.4Å; Y269-L272 PolarHBondContact O-N 3.28Å; L270-L272 PolarHBondContact O-N 2.97Å; L272-G274 PolarHBondContact O-N 3.5Å; L272-G274 VanDerWaalsContact O-N 3.13Å |
| 273 | L | 48.8 | Very low | 49.4 | Very low | 91 Ų | 91 | 91.8 Ų | 91.8 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 16.8 | 176.8 | -79.9 | 164.7 | 0 | 0 | 0 | 113.8 | L226 Y269 L270 I275 | L226-L273 HydrophobicContact CB-CD1 4.3Å; L226-L273 HydrophobicContact CD1-CD1 3.99Å; Y269-L273 WeakPolarHBondContact O-CB 3.35Å; Y269-L273 WeakPolarHBondContact O-CG 3.16Å; Y269-L273 PolarHBondContact O-N 3.35Å; L270-L273 PolarHBondContact O-N 3.39Å; L273-I275 PolarHBondContact O-N 3.35Å; L273-I275 VanDerWaalsContact O-N 3.16Å |
| 274 | G | 44.5 | Very low | 48.9 | Very low | 59 Ų | 59 | 93.4 Ų | 93.4 | 61% | 0.608 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 10.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L272 C276 | L272-G274 PolarHBondContact O-N 3.5Å; L272-G274 VanDerWaalsContact O-N 3.13Å; G274-C276 PolarHBondContact O-N 2.88Å |
| 275 | I | 50.7 | Low | 48.6 | Very low | 12 Ų | 12 | 89 Ų | 89 | 6% | 0.062 | 49% | 0.493 | C | S | . | . | trans | -72.3 | 79.4 | 159.9 | -58.4 | 165.9 | 0 | 0 | 0 | 106.2 | M229 C230 L270 L273 L277 | M229-I275 HydrophobicContact CE-CD1 4.1Å; C230-I275 WeakPolarHBondContact SG-CD1 3.2Å; C230-I275 WeakPolarHBondContact SG-CG1 3.23Å; L270-I275 HydrophobicContact CB-CD1 4.3Å; L270-I275 HydrophobicContact CD2-CD1 3.46Å; L270-I275 VanDerWaalsContact CD2-CD1 3.46Å; L270-I275 HydrophobicContact CG-CD1 4.48Å; L270-I275 WeakPolarHBondContact O-CB 3.17Å; L270-I275 PolarHBondContact O-N 3.05Å; L273-I275 PolarHBondContact O-N 3.35Å; L273-I275 VanDerWaalsContact O-N 3.16Å; I275-L277 HydrophobicContact CB-CD1 4.44Å; I275-L277 HydrophobicContact CG2-CB 4.12Å; I275-L277 HydrophobicContact CG2-CD1 3.25Å; I275-L277 HydrophobicContact CG2-CD2 4.13Å; I275-L277 HydrophobicContact CG2-CG 3.2Å; I275-L277 PolarHBondContact O-N 3.06Å | ||
| 276 | C | 45.3 | Very low | 48.2 | Very low | 90 Ų | 90 | 84.6 Ų | 84.6 | 61% | 0.608 | 48% | 0.481 | S | S | * | . | trans | -63.2 | 77.3 | 155.9 | -77.2 | 0 | 0 | 0 | 0 | 107.2 | G274 L278 | G274-C276 PolarHBondContact O-N 2.88Å; C276-L278 PolarHBondContact O-N 3Å | ||
| 277 | L | 48.3 | Very low | 47.7 | Very low | 27 Ų | 27 | 88.7 Ų | 88.7 | 14% | 0.141 | 51% | 0.508 | C | S | . | . | trans | -71.2 | -0.3 | 161.8 | -81.7 | 152.8 | 0 | 0 | 0 | 111.3 | R245 F249 L252 I275 | R245-L277 HydrophobicContact CG-CD2 4.45Å; F249-L277 HydrophobicContact CB-CD2 3.59Å; F249-L277 HydrophobicContact CD2-CB 3.88Å; F249-L277 HydrophobicContact CD2-CD1 4.24Å; F249-L277 HydrophobicContact CD2-CD2 3.54Å; F249-L277 HydrophobicContact CD2-CG 4.02Å; F249-L277 HydrophobicContact CE2-CB 4.15Å; F249-L277 HydrophobicContact CG-CD2 3.96Å; L252-L277 HydrophobicContact CD1-CD1 3.78Å; I275-L277 HydrophobicContact CB-CD1 4.44Å; I275-L277 HydrophobicContact CG2-CB 4.12Å; I275-L277 HydrophobicContact CG2-CD1 3.25Å; I275-L277 HydrophobicContact CG2-CD2 4.13Å; I275-L277 HydrophobicContact CG2-CG 3.2Å; I275-L277 PolarHBondContact O-N 3.06Å | ||
| 278 | L | 41.8 | Very low | 47.1 | Very low | 109 Ų | 109 | 91.7 Ų | 91.7 | 57% | 0.571 | 53% | 0.533 | S | S | * | . | trans | -116.5 | 90.6 | 169.8 | -66.4 | 166.2 | 0 | 0 | 0 | 106.8 | C276 | C276-L278 PolarHBondContact O-N 3Š| ||
| 279 | G | 37.6 | Very low | 46.8 | Very low | 62 Ų | 62 | 90.5 Ų | 90.5 | 64% | 0.639 | 53% | 0.531 | S | S | * | . | trans | -100.2 | 114.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 280 | S | 34.5 | Very low | 46 | Very low | 201 Ų | 201 | 85.6 Ų | 85.6 | 100% | 1.406 | 53% | 0.528 | S | S | * | . | trans | 57.7 | 0 | 166.6 | 30.8 | 0 | 0 | 0 | 0 | 117.4 |
Retrieved 280 of 280 residues in 208.9 ms
(Link to these results)