| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 93.5 | Very high | 94.1 | Very high | 46 Ų | 46 | 17.4 Ų | 17.4 | 23% | 0.227 | 8% | 0.08 | C | C | . | . | 0 | -48.8 | 0 | -75.6 | -57.2 | -71.4 | 0 | 0 | 113.4 | S3 L4 L5 F83 Y216 I219 V220 L223 | M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 2.91Å; M1-L4 HydrophobicContact CE-CD2 4.38Å; M1-L4 WeakPolarHBondContact O-CA 3.35Å; M1-L4 WeakPolarHBondContact O-CB 3.24Å; M1-L4 PolarHBondContact O-N 2.92Å; M1-L4 HydrophobicContact SD-CD2 4.23Å; M1-L5 PolarHBondContact O-N 2.9Å; M1-L5 VanDerWaalsContact O-N 3.09Å; M1-F83 HydrophobicContact CG-CE2 4.19Å; M1-F83 HydrophobicContact SD-CD2 3.88Å; M1-F83 HydrophobicContact SD-CE2 3.61Å; M1-Y216 HydrophobicContact CE-CD1 4.2Å; M1-I219 HydrophobicContact CE-CG2 4.02Å; M1-V220 HydrophobicContact CB-CG2 3.58Å; M1-L223 HydrophobicContact CB-CD1 4.19Å; M1-L223 HydrophobicContact CG-CD1 3.82Å | |||
| 2 | T | 95.1 | Very high | 94.2 | Very high | 17 Ų | 17 | 15.9 Ų | 15.9 | 10% | 0.104 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -54.8 | -44.5 | 177.5 | 51.6 | 0 | 0 | 0 | 0 | 113 | L4 L5 A6 F66 T69 V220 V290 | T2-L4 VanDerWaalsContact C-N 3.27Å; T2-L4 PolarHBondContact O-N 3.48Å; T2-L5 WeakPolarHBondContact O-CB 3.48Å; T2-L5 PolarHBondContact O-N 3.26Å; T2-A6 PolarHBondContact O-N 3.27Å; T2-F66 HydrophobicContact CG2-CD1 3.81Å; T2-F66 HydrophobicContact CG2-CE1 4.09Å; T2-T69 WeakPolarHBondContact CB-OG1 3.39Å; T2-T69 VanDerWaalsContact OG1-CB 3.25Å; T2-T69 WeakPolarHBondContact OG1-CB 3.23Å; T2-T69 PolarHBondContact OG1-OG1 3.35Å; T2-V220 HydrophobicContact CG2-CG1 3.93Å; T2-V290 HydrophobicContact CG2-CG1 3.52Å; T2-V290 HydrophobicContact CG2-CG2 4.44Å |
| 3 | S | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.2 | -35 | 174.1 | -172.6 | 0 | 0 | 0 | 0 | 113.5 | M1 A6 H7 T69 G73 A82 | M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 2.91Å; S3-A6 PolarHBondContact O-N 3.5Å; S3-H7 WeakPolarHBondContact O-CB 3.46Å; S3-H7 PolarHBondContact O-N 3.22Å; S3-T69 VanDerWaalsContact CA-O 3.29Å; S3-T69 WeakPolarHBondContact CA-O 3.38Å; S3-T69 WeakPolarHBondContact CB-O 3.38Å; S3-T69 PolarHBondContact OG-O 3.31Å; S3-G73 WeakPolarHBondContact O-CA 3.4Å; S3-G73 WeakPolarHBondContact OG-CA 3.2Å; S3-G73 PolarHBondContact OG-N 3.08Å; S3-G73 VanDerWaalsContact OG-N 3.07Å; S3-A82 VanDerWaalsContact CB-O 3.26Å; S3-A82 WeakPolarHBondContact CB-O 3.4Å; S3-A82 PolarHBondContact OG-O 3.36Å |
| 4 | L | 95.6 | Very high | 93.7 | Very high | 16 Ų | 16 | 18 Ų | 18 | 8% | 0.084 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -68.6 | -39 | 174.8 | 175.8 | 65.1 | 0 | 0 | 0 | 111.8 | M1 T2 H7 R8 F83 | M1-L4 HydrophobicContact CE-CD2 4.38Å; M1-L4 WeakPolarHBondContact O-CA 3.35Å; M1-L4 WeakPolarHBondContact O-CB 3.24Å; M1-L4 PolarHBondContact O-N 2.92Å; M1-L4 HydrophobicContact SD-CD2 4.23Å; T2-L4 VanDerWaalsContact C-N 3.27Å; T2-L4 PolarHBondContact O-N 3.48Å; L4-H7 PolarHBondContact O-N 3.38Å; L4-R8 PolarHBondContact O-N 3.39Å; L4-R8 VanDerWaalsContact O-N 3.13Å; L4-F83 HydrophobicContact CD2-CD2 4.47Å |
| 5 | L | 95 | Very high | 93.1 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.5 | -41.7 | 174.5 | -71.3 | -176.9 | 0 | 0 | 0 | 111.6 | M1 T2 R8 S9 A10 A11 I217 V220 | M1-L5 PolarHBondContact O-N 2.9Å; M1-L5 VanDerWaalsContact O-N 3.09Å; T2-L5 WeakPolarHBondContact O-CB 3.48Å; T2-L5 PolarHBondContact O-N 3.26Å; L5-R8 CarbonylContact O-C 3.56Å; L5-R8 PolarHBondContact O-N 3.49Å; L5-S9 PolarHBondContact O-N 3.49Å; L5-S9 VanDerWaalsContact O-N 3.13Å; L5-A10 HydrophobicContact CD2-CB 3.99Å; L5-A10 PolarHBondContact O-N 3.04Å; L5-A11 CarbonylContact C-O 3.27Å; L5-A11 HydrophobicContact CB-CB 4.14Å; L5-A11 HydrophobicContact CD1-CB 3.93Å; L5-I217 HydrophobicContact CD1-CG1 4.36Å; L5-I217 HydrophobicContact CD2-CG1 4.34Å; L5-V220 HydrophobicContact CD1-CB 3.96Å; L5-V220 HydrophobicContact CD1-CG1 4.34Å; L5-V220 HydrophobicContact CD1-CG2 3.52Å; L5-V220 HydrophobicContact CG-CG2 4.24Å |
| 6 | A | 94.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T2 S3 R8 S9 A11 V12 | T2-A6 PolarHBondContact O-N 3.27Å; S3-A6 PolarHBondContact O-N 3.5Å; A6-R8 VanDerWaalsContact C-N 3.28Å; A6-R8 PolarHBondContact O-N 3.13Å; A6-S9 PolarHBondContact O-N 3.47Å; A6-A11 WeakPolarHBondContact CA-O 3.35Å; A6-A11 PolarHBondContact N-O 3.44Å; A6-V12 HydrophobicContact CB-CG1 3.75Å |
| 7 | H | 94.3 | Very high | 92.2 | Very high | 14 Ų | 14 | 17.1 Ų | 17.1 | 7% | 0.065 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.8 | -37.6 | 175.7 | 176.7 | 76.7 | 0 | 0 | 0 | 113.2 | S3 L4 S9 R31 G73 A76 S79 A82 | S3-H7 WeakPolarHBondContact O-CB 3.46Å; S3-H7 PolarHBondContact O-N 3.22Å; L4-H7 PolarHBondContact O-N 3.38Å; H7-S9 VanDerWaalsContact C-N 3.25Å; H7-R31 VanDerWaalsContact CE1-CZ 3.44Å; H7-R31 PolarHBondContact CE1-NH2 3.33Å; H7-R31 VanDerWaalsContact CE1-NH2 3.32Å; H7-R31 PolarHBondContact ND1-NH1 3.15Å; H7-R31 PolarHBondContact O-NH1 3.33Å; H7-R31 PolarHBondContact O-NH2 3.45Å; H7-G73 WeakPolarHBondContact CA-O 3.15Å; H7-G73 VanDerWaalsContact CB-O 3.24Å; H7-G73 WeakPolarHBondContact CB-O 3.49Å; H7-A76 PolarHBondContact CE1-O 3.14Å; H7-A76 PolarHBondContact ND1-O 3.45Å; H7-S79 PolarHBondContact CD2-OG 3.21Å; H7-S79 VanDerWaalsContact CD2-OG 3.28Å; H7-S79 PolarHBondContact NE2-N 3.16Å; H7-S79 PolarHBondContact NE2-OG 2.87Å; H7-A82 HydrophobicContact CB-CB 3.53Å |
| 8 | R | 91.5 | Very high | 92.1 | Very high | 90 Ų | 90 | 16.5 Ų | 16.5 | 34% | 0.34 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 0.4 | 176.6 | -71.7 | -176.5 | 172 | 162.9 | -3 | 113.5 | L4 L5 A6 A10 Y216 | L4-R8 PolarHBondContact O-N 3.39Å; L4-R8 VanDerWaalsContact O-N 3.13Å; L5-R8 CarbonylContact O-C 3.56Å; L5-R8 PolarHBondContact O-N 3.49Å; A6-R8 VanDerWaalsContact C-N 3.28Å; A6-R8 PolarHBondContact O-N 3.13Å; R8-A10 HydrophobicContact CB-CB 4.27Å; R8-A10 PolarHBondContact O-N 3.31Å; R8-A10 VanDerWaalsContact O-N 3.16Å; R8-Y216 VanDerWaalsContact NH1-CE2 3.32Å; R8-Y216 PolarHBondContact NH1-OH 3.46Å |
| 9 | S | 91.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 18.6 Ų | 18.6 | 4% | 0.035 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 35 | -172.4 | -58.7 | 0 | 0 | 0 | 0 | 112.6 | L5 A6 H7 I25 V287 | L5-S9 PolarHBondContact O-N 3.49Å; L5-S9 VanDerWaalsContact O-N 3.13Å; A6-S9 PolarHBondContact O-N 3.47Å; H7-S9 VanDerWaalsContact C-N 3.25Å; S9-I25 VanDerWaalsContact CB-CD1 3.5Å; S9-V287 WeakPolarHBondContact O-CG2 3.39Å |
| 10 | A | 92.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 2% | 0.017 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -93.9 | -41.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L5 R8 N213 Y288 | L5-A10 HydrophobicContact CD2-CB 3.99Å; L5-A10 PolarHBondContact O-N 3.04Å; R8-A10 HydrophobicContact CB-CB 4.27Å; R8-A10 PolarHBondContact O-N 3.31Å; R8-A10 VanDerWaalsContact O-N 3.16Å; A10-N213 HydrophobicContact CB-CB 3.82Å; A10-Y288 PolarHBondContact O-N 3.3Å |
| 11 | A | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 147.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L5 A6 Y288 V290 | L5-A11 CarbonylContact C-O 3.27Å; L5-A11 HydrophobicContact CB-CB 4.14Å; L5-A11 HydrophobicContact CD1-CB 3.93Å; A6-A11 WeakPolarHBondContact CA-O 3.35Å; A6-A11 PolarHBondContact N-O 3.44Å; A11-Y288 WeakPolarHBondContact CA-O 3.22Å; A11-Y288 WeakPolarHBondContact CB-O 3.39Å; A11-V290 HydrophobicContact CB-CG2 3.97Å |
| 12 | V | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 159.1 | 170 | -72.6 | 0 | 0 | 0 | 0 | 109.6 | A6 I17 R18 L21 D70 V287 Y288 A289 V290 | A6-V12 HydrophobicContact CB-CG1 3.75Å; V12-I17 HydrophobicContact CB-CG2 4.45Å; V12-I17 HydrophobicContact CG1-CG2 4.13Å; V12-I17 HydrophobicContact CG2-CB 4.19Å; V12-I17 HydrophobicContact CG2-CG2 4.13Å; V12-R18 HydrophobicContact CG2-CG 3.44Å; V12-R18 VanDerWaalsContact CG2-CG 3.44Å; V12-L21 HydrophobicContact CB-CD1 4.41Å; V12-L21 HydrophobicContact CG1-CD1 3.54Å; V12-L21 HydrophobicContact CG2-CD1 3.97Å; V12-D70 WeakPolarHBondContact CA-OD1 3.17Å; V12-D70 HydrophobicContact CG1-CB 4.35Å; V12-V287 HydrophobicContact CG2-CG1 4.08Å; V12-Y288 PolarHBondContact N-O 2.99Å; V12-Y288 VanDerWaalsContact N-O 3.08Å; V12-A289 WeakPolarHBondContact O-CA 3.33Å; V12-V290 VanDerWaalsContact C-CG2 3.49Å; V12-V290 PolarHBondContact O-N 2.71Å; V12-V290 VanDerWaalsContact O-N 3.09Å |
| 13 | F | 93.1 | Very high | 90.6 | Very high | 38 Ų | 38 | 19.5 Ų | 19.5 | 17% | 0.167 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -82.7 | -42.5 | 174.1 | -176.6 | -106.5 | 0 | 0 | 0 | 111.5 | D15 A62 W63 F66 L67 D70 V290 | F13-D15 PolarHBondContact O-N 2.7Å; F13-A62 HydrophobicContact CE1-CB 4.05Å; F13-A62 HydrophobicContact CE2-CB 3.7Å; F13-A62 HydrophobicContact CZ-CB 3.41Å; F13-A62 VanDerWaalsContact CZ-CB 3.41Å; F13-W63 HydrophobicContact CE1-CD2 4.09Å; F13-W63 AromaticContact CE1-CE3 3.75Å; F13-W63 HydrophobicContact CE1-CE3 3.75Å; F13-W63 HydrophobicContact CE1-CZ3 4.04Å; F13-F66 HydrophobicContact CB-CB 3.57Å; F13-F66 HydrophobicContact CB-CG 4.49Å; F13-F66 HydrophobicContact CD1-CB 4.15Å; F13-F66 HydrophobicContact CD2-CB 4.29Å; F13-F66 AromaticContact CD2-CD2 3.8Å; F13-F66 HydrophobicContact CD2-CD2 3.8Å; F13-F66 HydrophobicContact CE2-CD2 4.17Å; F13-F66 HydrophobicContact CG-CB 3.75Å; F13-F66 HydrophobicContact CG-CD2 4.12Å; F13-F66 HydrophobicContact CG-CG 4.44Å; F13-L67 HydrophobicContact CD1-CD2 3.67Å; F13-L67 HydrophobicContact CD1-CG 3.96Å; F13-L67 HydrophobicContact CE1-CD2 4.43Å; F13-L67 HydrophobicContact CE1-CG 4.45Å; F13-D70 WeakPolarHBondContact CA-OD2 3.41Å; F13-D70 WeakPolarHBondContact CB-OD2 3.39Å; F13-D70 PolarHBondContact N-OD1 2.84Å; F13-D70 VanDerWaalsContact N-OD1 3.13Å; F13-D70 PolarHBondContact N-OD2 2.79Å; F13-V290 HydrophobicContact CB-CB 4.33Å |
| 14 | H | 88.9 | Confident | 90.1 | Very high | 23 Ų | 23 | 20.5 Ų | 20.5 | 11% | 0.106 | 11% | 0.105 | C | C | . | . | trans | -72 | 116.9 | -178.3 | -159.1 | -65.8 | 0 | 0 | 0 | 111.9 | G16 I17 L41 S42 F45 L67 D70 | H14-G16 VanDerWaalsContact C-N 3.35Å; H14-G16 PolarHBondContact ND1-N 3.41Å; H14-G16 PolarHBondContact O-N 3.45Å; H14-I17 HydrophobicContact CB-CB 4.18Å; H14-I17 HydrophobicContact CB-CD1 3.57Å; H14-I17 HydrophobicContact CB-CG1 3.74Å; H14-I17 WeakPolarHBondContact O-CB 3.34Å; H14-I17 PolarHBondContact O-N 3.48Å; H14-L41 PolarHBondContact NE2-O 3.38Å; H14-S42 PolarHBondContact CD2-OG 2.91Å; H14-F45 AromaticContact NE2-CD2 3.96Å; H14-L67 HydrophobicContact CB-CD2 3.5Å; H14-L67 VanDerWaalsContact CB-CD2 3.5Å; H14-D70 PolarHBondContact N-OD2 2.99Å | ||
| 15 | D | 84.2 | Confident | 89.5 | Confident | 22 Ų | 22 | 23.4 Ų | 23.4 | 12% | 0.118 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -60.8 | -42.3 | -178.9 | -178.7 | 63.2 | 0 | 0 | 0 | 112.8 | F13 I17 R18 P19 T281 R345 | F13-D15 PolarHBondContact O-N 2.7Å; D15-I17 PolarHBondContact O-N 2.79Å; D15-I17 VanDerWaalsContact O-N 3.11Å; D15-R18 WeakPolarHBondContact O-CB 3.46Å; D15-R18 PolarHBondContact O-N 3.06Å; D15-R18 IonicContact OD1-CZ 3.62Å; D15-R18 IonicContact OD1-NE 2.88Å; D15-R18 PolarHBondContact OD1-NE 3.32Å; D15-R18 IonicContact OD1-NH2 3.31Å; D15-R18 PolarHBondContact OD1-NH2 2.96Å; D15-P19 WeakPolarHBondContact O-CD 3.38Å; D15-T281 WeakPolarHBondContact OD1-CB 3.13Å; D15-T281 WeakPolarHBondContact OD1-CG2 3.25Å; D15-T281 PolarHBondContact OD1-OG1 3.25Å; D15-R345 IonicContact OD2-CZ 3.51Å; D15-R345 IonicContact OD2-NH1 2.75Å; D15-R345 PolarHBondContact OD2-NH1 2.96Å |
| 16 | G | 82.6 | Confident | 88.9 | Confident | 17 Ų | 17 | 28.2 Ų | 28.2 | 18% | 0.175 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -61.2 | -16.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | H14 | H14-G16 VanDerWaalsContact C-N 3.35Å; H14-G16 PolarHBondContact ND1-N 3.41Å; H14-G16 PolarHBondContact O-N 3.45Å |
| 17 | I | 88.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -83.2 | -26 | 174.8 | -64.6 | 177 | 0 | 0 | 0 | 110.8 | V12 H14 D15 I20 L21 A38 L41 D70 | V12-I17 HydrophobicContact CB-CG2 4.45Å; V12-I17 HydrophobicContact CG1-CG2 4.13Å; V12-I17 HydrophobicContact CG2-CB 4.19Å; V12-I17 HydrophobicContact CG2-CG2 4.13Å; H14-I17 HydrophobicContact CB-CB 4.18Å; H14-I17 HydrophobicContact CB-CD1 3.57Å; H14-I17 HydrophobicContact CB-CG1 3.74Å; H14-I17 WeakPolarHBondContact O-CB 3.34Å; H14-I17 PolarHBondContact O-N 3.48Å; D15-I17 PolarHBondContact O-N 2.79Å; D15-I17 VanDerWaalsContact O-N 3.11Å; I17-I20 HydrophobicContact CG2-CD1 4.15Å; I17-I20 HydrophobicContact CG2-CG1 4.12Å; I17-I20 WeakPolarHBondContact O-CG1 3.43Å; I17-I20 PolarHBondContact O-N 3.08Å; I17-I20 VanDerWaalsContact O-N 3.17Å; I17-L21 HydrophobicContact CG2-CD1 3.84Å; I17-L21 HydrophobicContact CG2-CD2 4.16Å; I17-L21 HydrophobicContact CG2-CG 3.82Å; I17-L21 WeakPolarHBondContact O-CG 3.33Å; I17-L21 PolarHBondContact O-N 3.33Å; I17-A38 HydrophobicContact CD1-CB 3.52Å; I17-A38 HydrophobicContact CG1-CB 4.1Å; I17-L41 HydrophobicContact CG1-CD1 4.29Å; I17-D70 HydrophobicContact CD1-CB 4.09Å |
| 18 | R | 89.7 | Confident | 87.9 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 2% | 0.023 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -43.8 | -177.3 | -67.7 | -171.3 | -87.3 | -161.5 | -11.1 | 113.5 | V12 D15 I20 P22 T281 T285 V287 | V12-R18 HydrophobicContact CG2-CG 3.44Å; V12-R18 VanDerWaalsContact CG2-CG 3.44Å; D15-R18 WeakPolarHBondContact O-CB 3.46Å; D15-R18 PolarHBondContact O-N 3.06Å; D15-R18 IonicContact OD1-CZ 3.62Å; D15-R18 IonicContact OD1-NE 2.88Å; D15-R18 PolarHBondContact OD1-NE 3.32Å; D15-R18 IonicContact OD1-NH2 3.31Å; D15-R18 PolarHBondContact OD1-NH2 2.96Å; R18-I20 VanDerWaalsContact C-N 3.28Å; R18-I20 PolarHBondContact O-N 3.21Å; R18-P22 WeakPolarHBondContact O-CD 3.48Å; R18-T281 PolarHBondContact NE-OG1 3.42Å; R18-T281 PolarHBondContact NH1-OG1 2.93Å; R18-T281 PolarHBondContact NH2-OG1 3.21Å; R18-T285 HydrophobicContact CB-CG2 4.26Å; R18-T285 WeakPolarHBondContact O-CB 3.38Å; R18-T285 WeakPolarHBondContact O-CG2 3.18Å; R18-V287 HydrophobicContact CB-CB 4.43Å; R18-V287 VanDerWaalsContact CD-O 3.24Å; R18-V287 WeakPolarHBondContact CD-O 3.28Å; R18-V287 HydrophobicContact CG-CB 4.27Å; R18-V287 HydrophobicContact CG-CG1 4.17Å |
| 19 | P | 85.3 | Confident | 87.8 | Confident | 57 Ų | 57 | 36 Ų | 36 | 37% | 0.37 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -22.9 | 179.2 | -24.5 | 35.8 | 0 | 0 | 0 | 115.2 | D15 T285 | D15-P19 WeakPolarHBondContact O-CD 3.38Å; P19-T285 HydrophobicContact CB-CG2 4.49Å; P19-T285 HydrophobicContact CG-CG2 4.48Å |
| 20 | I | 87.6 | Confident | 87.7 | Confident | 22 Ų | 22 | 40.1 Ų | 40.1 | 11% | 0.113 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -27.9 | -177.8 | 61.9 | 162.4 | 0 | 0 | 0 | 112.8 | I17 R18 Q23 I37 | I17-I20 HydrophobicContact CG2-CD1 4.15Å; I17-I20 HydrophobicContact CG2-CG1 4.12Å; I17-I20 WeakPolarHBondContact O-CG1 3.43Å; I17-I20 PolarHBondContact O-N 3.08Å; I17-I20 VanDerWaalsContact O-N 3.17Å; R18-I20 VanDerWaalsContact C-N 3.28Å; R18-I20 PolarHBondContact O-N 3.21Å; I20-Q23 WeakPolarHBondContact O-CB 3.36Å; I20-Q23 PolarHBondContact O-N 2.96Å; I20-Q23 VanDerWaalsContact O-N 3.11Å; I20-I37 HydrophobicContact CD1-CB 4.04Å; I20-I37 HydrophobicContact CD1-CG2 3.81Å; I20-I37 HydrophobicContact CG2-CG2 4.47Å |
| 21 | L | 89.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.6 | -30.9 | -174.9 | -71.1 | 178 | 0 | 0 | 0 | 115.5 | V12 I17 Q23 L24 I25 V74 V287 | V12-L21 HydrophobicContact CB-CD1 4.41Å; V12-L21 HydrophobicContact CG1-CD1 3.54Å; V12-L21 HydrophobicContact CG2-CD1 3.97Å; I17-L21 HydrophobicContact CG2-CD1 3.84Å; I17-L21 HydrophobicContact CG2-CD2 4.16Å; I17-L21 HydrophobicContact CG2-CG 3.82Å; I17-L21 WeakPolarHBondContact O-CG 3.33Å; I17-L21 PolarHBondContact O-N 3.33Å; L21-Q23 VanDerWaalsContact C-N 3.25Å; L21-Q23 PolarHBondContact O-N 3.32Å; L21-L24 HydrophobicContact CD2-CD2 4.21Å; L21-L24 WeakPolarHBondContact O-CB 3.34Å; L21-L24 PolarHBondContact O-N 3.21Å; L21-L24 VanDerWaalsContact O-N 3.14Å; L21-I25 WeakPolarHBondContact O-CG1 3.44Å; L21-I25 PolarHBondContact O-N 2.82Å; L21-I25 VanDerWaalsContact O-N 3.13Å; L21-V74 HydrophobicContact CD2-CG2 3.76Å; L21-V287 HydrophobicContact CB-CG2 4.03Å; L21-V287 HydrophobicContact CD1-CG1 3.89Å; L21-V287 HydrophobicContact CD1-CG2 4.44Å |
| 22 | P | 86 | Confident | 87.4 | Confident | 13 Ų | 13 | 53.5 Ų | 53.5 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.1 | -39.1 | 169.6 | -29.6 | 36.9 | 0 | 0 | 0 | 112.9 | R18 L24 I25 E26 T285 | R18-P22 WeakPolarHBondContact O-CD 3.48Å; P22-L24 PolarHBondContact O-N 3.29Å; P22-I25 PolarHBondContact O-N 3.24Å; P22-E26 WeakPolarHBondContact O-CB 3.46Å; P22-E26 WeakPolarHBondContact O-CG 3.48Å; P22-E26 PolarHBondContact O-N 3.13Å; P22-T285 HydrophobicContact CG-CG2 4.43Å; P22-T285 WeakPolarHBondContact CG-O 3.48Å |
| 23 | Q | 85.4 | Confident | 87.1 | Confident | 83 Ų | 83 | 58 Ų | 58 | 39% | 0.388 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.9 | -30.4 | 178.5 | -55.4 | -178.5 | 11.1 | 0 | 0 | 112 | I20 L21 G27 Y28 M29 | I20-Q23 WeakPolarHBondContact O-CB 3.36Å; I20-Q23 PolarHBondContact O-N 2.96Å; I20-Q23 VanDerWaalsContact O-N 3.11Å; L21-Q23 VanDerWaalsContact C-N 3.25Å; L21-Q23 PolarHBondContact O-N 3.32Å; Q23-G27 PolarHBondContact O-N 3.44Å; Q23-Y28 PolarHBondContact O-N 3.1Å; Q23-M29 HydrophobicContact CB-CB 4.06Å; Q23-M29 PolarHBondContact O-N 3.5Å; Q23-M29 VanDerWaalsContact O-N 3.17Å; Q23-M29 VanDerWaalsContact OE1-CE 3.28Å |
| 24 | L | 86 | Confident | 87 | Confident | 22 Ų | 22 | 56.1 Ų | 56.1 | 12% | 0.115 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.4 | -37.8 | 173.2 | -172 | 71.5 | 0 | 0 | 0 | 112.1 | L21 P22 M29 R31 A34 V74 | L21-L24 HydrophobicContact CD2-CD2 4.21Å; L21-L24 WeakPolarHBondContact O-CB 3.34Å; L21-L24 PolarHBondContact O-N 3.21Å; L21-L24 VanDerWaalsContact O-N 3.14Å; P22-L24 PolarHBondContact O-N 3.29Å; L24-M29 WeakPolarHBondContact CD1-O 3.49Å; L24-R31 HydrophobicContact CD1-CB 4.36Å; L24-R31 HydrophobicContact CD1-CG 3.73Å; L24-R31 HydrophobicContact CD2-CG 4.27Å; L24-R31 HydrophobicContact CG-CG 4.48Å; L24-A34 HydrophobicContact CD1-CB 4.15Å; L24-V74 HydrophobicContact CD2-CG1 4.47Å |
| 25 | I | 82 | Confident | 87 | Confident | 76 Ų | 76 | 55.1 Ų | 55.1 | 39% | 0.39 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70 | -42.3 | 177.3 | -61.9 | 168.2 | 0 | 0 | 0 | 110.6 | S9 L21 P22 G27 R209 | S9-I25 VanDerWaalsContact CB-CD1 3.5Å; L21-I25 WeakPolarHBondContact O-CG1 3.44Å; L21-I25 PolarHBondContact O-N 2.82Å; L21-I25 VanDerWaalsContact O-N 3.13Å; P22-I25 PolarHBondContact O-N 3.24Å; I25-G27 PolarHBondContact O-N 3.28Å; I25-R209 VanDerWaalsContact CD1-NH1 3.31Å |
| 26 | E | 82.4 | Confident | 87.2 | Confident | 103 Ų | 103 | 58 Ų | 58 | 48% | 0.481 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -7.5 | -176.8 | -67.9 | 167.7 | -165.9 | 0 | 0 | 112.9 | P22 Y28 | P22-E26 WeakPolarHBondContact O-CB 3.46Å; P22-E26 WeakPolarHBondContact O-CG 3.48Å; P22-E26 PolarHBondContact O-N 3.13Å; E26-Y28 HydrophobicContact CB-CD2 3.56Å; E26-Y28 HydrophobicContact CB-CE2 3.65Å; E26-Y28 WeakPolarHBondContact OE2-CE2 3.44Å |
| 27 | G | 82.7 | Confident | 87.4 | Confident | 62 Ų | 62 | 60 Ų | 60 | 64% | 0.639 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | 7.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | Q23 I25 M29 | Q23-G27 PolarHBondContact O-N 3.44Å; I25-G27 PolarHBondContact O-N 3.28Å; G27-M29 VanDerWaalsContact C-N 3.34Å |
| 28 | Y | 86.1 | Confident | 87.4 | Confident | 186 Ų | 186 | 60 Ų | 60 | 73% | 0.729 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -78.9 | -16.2 | 178.4 | -62.3 | -59.7 | 0 | 0 | 0 | 113.8 | Q23 E26 | Q23-Y28 PolarHBondContact O-N 3.1Å; E26-Y28 HydrophobicContact CB-CD2 3.56Å; E26-Y28 HydrophobicContact CB-CE2 3.65Å; E26-Y28 WeakPolarHBondContact OE2-CE2 3.44Å |
| 29 | M | 88.2 | Confident | 87.3 | Confident | 20 Ų | 20 | 64.6 Ų | 64.6 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -132.2 | 143.9 | 179 | -173 | 177.7 | -75.9 | 0 | 0 | 110.3 | Q23 L24 G27 E33 A34 I37 | Q23-M29 HydrophobicContact CB-CB 4.06Å; Q23-M29 PolarHBondContact O-N 3.5Å; Q23-M29 VanDerWaalsContact O-N 3.17Å; Q23-M29 VanDerWaalsContact OE1-CE 3.28Å; L24-M29 WeakPolarHBondContact CD1-O 3.49Å; G27-M29 VanDerWaalsContact C-N 3.34Å; M29-E33 HydrophobicContact CE-CG 4.46Å; M29-E33 HydrophobicContact CG-CB 4.01Å; M29-E33 HydrophobicContact CG-CG 3.99Å; M29-E33 HydrophobicContact SD-CG 4.27Å; M29-A34 HydrophobicContact CG-CB 4.23Å; M29-A34 HydrophobicContact SD-CB 3.68Å; M29-I37 HydrophobicContact CE-CD1 3.77Å; M29-I37 HydrophobicContact SD-CD1 4.02Å |
| 30 | N | 90.9 | Very high | 87 | Confident | 91 Ų | 91 | 63.4 Ų | 63.4 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | trans | -88.8 | 158.9 | 174.6 | 71.2 | 58.9 | 0 | 0 | 0 | 111.8 | R32 E33 A34 | N30-R32 VanDerWaalsContact C-N 3.27Å; N30-R32 PolarHBondContact O-N 3.45Å; N30-R32 WeakPolarHBondContact OD1-CB 3.36Å; N30-R32 PolarHBondContact OD1-N 3.48Å; N30-R32 VanDerWaalsContact OD1-N 3.1Å; N30-E33 PolarHBondContact O-N 3.46Å; N30-E33 WeakPolarHBondContact OD1-CB 3.37Å; N30-E33 PolarHBondContact OD1-N 3.42Å; N30-A34 PolarHBondContact O-N 2.91Å | ||
| 31 | R | 90.4 | Very high | 86.8 | Confident | 75 Ų | 75 | 65.4 Ų | 65.4 | 28% | 0.283 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.9 | -31.9 | -177.4 | -75.5 | -172.3 | 174.3 | -81.4 | -2.4 | 114.1 | H7 L24 G35 V74 A76 | H7-R31 VanDerWaalsContact CE1-CZ 3.44Å; H7-R31 PolarHBondContact CE1-NH2 3.33Å; H7-R31 VanDerWaalsContact CE1-NH2 3.32Å; H7-R31 PolarHBondContact ND1-NH1 3.15Å; H7-R31 PolarHBondContact O-NH1 3.33Å; H7-R31 PolarHBondContact O-NH2 3.45Å; L24-R31 HydrophobicContact CD1-CB 4.36Å; L24-R31 HydrophobicContact CD1-CG 3.73Å; L24-R31 HydrophobicContact CD2-CG 4.27Å; L24-R31 HydrophobicContact CG-CG 4.48Å; R31-G35 PolarHBondContact O-N 3.14Å; R31-V74 PolarHBondContact NH1-O 2.89Å; R31-A76 VanDerWaalsContact CD-O 3.29Å; R31-A76 WeakPolarHBondContact CD-O 3.2Å; R31-A76 PolarHBondContact NE-O 3Å |
| 32 | R | 89.7 | Confident | 86.6 | Confident | 208 Ų | 208 | 65.4 Ų | 65.4 | 79% | 0.785 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -70.5 | -43.2 | -178.6 | -172.9 | 178.6 | -179.1 | 177.2 | 0.4 | 110.9 | N30 G35 S36 | N30-R32 VanDerWaalsContact C-N 3.27Å; N30-R32 PolarHBondContact O-N 3.45Å; N30-R32 WeakPolarHBondContact OD1-CB 3.36Å; N30-R32 PolarHBondContact OD1-N 3.48Å; N30-R32 VanDerWaalsContact OD1-N 3.1Å; R32-G35 PolarHBondContact O-N 3.02Å; R32-S36 WeakPolarHBondContact O-CB 3.46Å; R32-S36 PolarHBondContact O-N 3.26Å |
| 33 | E | 90 | Very high | 86.3 | Confident | 93 Ų | 93 | 67.9 Ų | 67.9 | 44% | 0.435 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.6 | -51.1 | 175.2 | -175.6 | 176.5 | -173.6 | 0 | 0 | 111 | M29 N30 G35 S36 I37 | M29-E33 HydrophobicContact CE-CG 4.46Å; M29-E33 HydrophobicContact CG-CB 4.01Å; M29-E33 HydrophobicContact CG-CG 3.99Å; M29-E33 HydrophobicContact SD-CG 4.27Å; N30-E33 PolarHBondContact O-N 3.46Å; N30-E33 WeakPolarHBondContact OD1-CB 3.37Å; N30-E33 PolarHBondContact OD1-N 3.42Å; E33-G35 VanDerWaalsContact C-N 3.25Å; E33-G35 PolarHBondContact O-N 3.18Å; E33-S36 WeakPolarHBondContact O-CB 3.42Å; E33-S36 PolarHBondContact O-N 3.21Å; E33-S36 VanDerWaalsContact O-N 3.09Å; E33-I37 HydrophobicContact CG-CD1 4.46Å; E33-I37 WeakPolarHBondContact O-CG1 3.39Å; E33-I37 PolarHBondContact O-N 3.15Å |
| 34 | A | 90.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57 | -41.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L24 M29 N30 I37 A38 V74 | L24-A34 HydrophobicContact CD1-CB 4.15Å; M29-A34 HydrophobicContact CG-CB 4.23Å; M29-A34 HydrophobicContact SD-CB 3.68Å; N30-A34 PolarHBondContact O-N 2.91Å; A34-I37 PolarHBondContact O-N 3.33Å; A34-A38 WeakPolarHBondContact O-CB 3.44Å; A34-A38 PolarHBondContact O-N 3.06Å; A34-V74 HydrophobicContact CB-CG1 3.64Å |
| 35 | G | 89.7 | Confident | 85.2 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.8 | -35.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R31 R32 E33 A38 F39 | R31-G35 PolarHBondContact O-N 3.14Å; R32-G35 PolarHBondContact O-N 3.02Å; E33-G35 VanDerWaalsContact C-N 3.25Å; E33-G35 PolarHBondContact O-N 3.18Å; G35-A38 PolarHBondContact O-N 2.93Å; G35-F39 WeakPolarHBondContact O-CB 3.42Å; G35-F39 PolarHBondContact O-N 2.99Å |
| 36 | S | 87.3 | Confident | 85.3 | Confident | 82 Ų | 82 | 61 Ų | 61 | 57% | 0.573 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -66 | -41.5 | 173.8 | -168.3 | 0 | 0 | 0 | 0 | 111.6 | R32 E33 F39 G40 | R32-S36 WeakPolarHBondContact O-CB 3.46Å; R32-S36 PolarHBondContact O-N 3.26Å; E33-S36 WeakPolarHBondContact O-CB 3.42Å; E33-S36 PolarHBondContact O-N 3.21Å; E33-S36 VanDerWaalsContact O-N 3.09Å; S36-F39 PolarHBondContact O-N 3.19Å; S36-G40 PolarHBondContact O-N 3.39Å |
| 37 | I | 86.6 | Confident | 84.8 | Confident | 59 Ų | 59 | 57 Ų | 57 | 30% | 0.303 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.2 | -46.2 | 175 | -61.7 | 167.1 | 0 | 0 | 0 | 109.9 | I20 M29 E33 A34 F39 G40 L41 | I20-I37 HydrophobicContact CD1-CB 4.04Å; I20-I37 HydrophobicContact CD1-CG2 3.81Å; I20-I37 HydrophobicContact CG2-CG2 4.47Å; M29-I37 HydrophobicContact CE-CD1 3.77Å; M29-I37 HydrophobicContact SD-CD1 4.02Å; E33-I37 HydrophobicContact CG-CD1 4.46Å; E33-I37 WeakPolarHBondContact O-CG1 3.39Å; E33-I37 PolarHBondContact O-N 3.15Å; A34-I37 PolarHBondContact O-N 3.33Å; I37-F39 VanDerWaalsContact C-N 3.32Å; I37-F39 PolarHBondContact O-N 3.42Å; I37-G40 PolarHBondContact O-N 3.11Å; I37-L41 HydrophobicContact CG2-CD1 3.88Å; I37-L41 HydrophobicContact CG2-CG 4.31Å; I37-L41 WeakPolarHBondContact O-CG 3.26Å; I37-L41 PolarHBondContact O-N 3.06Å |
| 38 | A | 89.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.2 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I17 A34 G35 S42 I71 | I17-A38 HydrophobicContact CD1-CB 3.52Å; I17-A38 HydrophobicContact CG1-CB 4.1Å; A34-A38 WeakPolarHBondContact O-CB 3.44Å; A34-A38 PolarHBondContact O-N 3.06Å; G35-A38 PolarHBondContact O-N 2.93Å; A38-S42 WeakPolarHBondContact O-CB 3.49Å; A38-S42 PolarHBondContact O-N 3.22Å; A38-S42 VanDerWaalsContact O-N 3.11Å; A38-S42 PolarHBondContact O-OG 2.84Å; A38-I71 HydrophobicContact CB-CG1 4.43Å |
| 39 | F | 87.9 | Confident | 83.8 | Confident | 103 Ų | 103 | 45.3 Ų | 45.3 | 45% | 0.452 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.6 | -50.6 | 175.7 | -179.7 | -91.3 | 0 | 0 | 0 | 111.2 | G35 S36 I37 L41 S42 I43 I71 | G35-F39 WeakPolarHBondContact O-CB 3.42Å; G35-F39 PolarHBondContact O-N 2.99Å; S36-F39 PolarHBondContact O-N 3.19Å; I37-F39 VanDerWaalsContact C-N 3.32Å; I37-F39 PolarHBondContact O-N 3.42Å; F39-L41 PolarHBondContact O-N 3.43Å; F39-S42 PolarHBondContact O-N 2.95Å; F39-I43 HydrophobicContact CD1-CB 4.44Å; F39-I43 HydrophobicContact CD1-CG2 4.45Å; F39-I43 HydrophobicContact CE1-CB 4.11Å; F39-I43 HydrophobicContact CE1-CG1 4.15Å; F39-I43 HydrophobicContact CE1-CG2 4.15Å; F39-I43 HydrophobicContact CE2-CB 4.29Å; F39-I43 HydrophobicContact CE2-CD1 3.81Å; F39-I43 HydrophobicContact CE2-CG1 4.08Å; F39-I43 HydrophobicContact CZ-CB 4.03Å; F39-I43 HydrophobicContact CZ-CD1 3.84Å; F39-I43 HydrophobicContact CZ-CG1 3.68Å; F39-I43 VanDerWaalsContact O-CB 3.32Å; F39-I43 WeakPolarHBondContact O-CB 3.48Å; F39-I43 WeakPolarHBondContact O-CG2 3.33Å; F39-I43 PolarHBondContact O-N 2.92Å; F39-I71 HydrophobicContact CB-CD1 4.45Å; F39-I71 HydrophobicContact CB-CG2 4.15Å; F39-I71 HydrophobicContact CD2-CD1 4.04Å; F39-I71 HydrophobicContact CD2-CG2 4.28Å |
| 40 | G | 78.1 | Confident | 83.7 | Confident | 33 Ų | 33 | 44.3 Ų | 44.3 | 34% | 0.34 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.1 | -46.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | S36 I37 S42 Q391 | S36-G40 PolarHBondContact O-N 3.39Å; I37-G40 PolarHBondContact O-N 3.11Å; G40-S42 VanDerWaalsContact C-N 3.34Å; G40-S42 PolarHBondContact O-N 2.95Å; G40-Q391 PolarHBondContact O-OE1 3.25Å |
| 41 | L | 82.7 | Confident | 83.3 | Confident | 63 Ų | 63 | 43 Ų | 43 | 33% | 0.33 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.2 | -36.1 | 179 | -68.5 | 173.8 | 0 | 0 | 0 | 112.8 | H14 I17 I37 F39 | H14-L41 PolarHBondContact NE2-O 3.38Å; I17-L41 HydrophobicContact CG1-CD1 4.29Å; I37-L41 HydrophobicContact CG2-CD1 3.88Å; I37-L41 HydrophobicContact CG2-CG 4.31Å; I37-L41 WeakPolarHBondContact O-CG 3.26Å; I37-L41 PolarHBondContact O-N 3.06Å; F39-L41 PolarHBondContact O-N 3.43Å |
| 42 | S | 86.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -93.4 | -34.7 | -168 | -62.6 | 0 | 0 | 0 | 0 | 114.4 | H14 A38 F39 G40 G44 F45 V46 | H14-S42 PolarHBondContact CD2-OG 2.91Å; A38-S42 WeakPolarHBondContact O-CB 3.49Å; A38-S42 PolarHBondContact O-N 3.22Å; A38-S42 VanDerWaalsContact O-N 3.11Å; A38-S42 PolarHBondContact O-OG 2.84Å; F39-S42 PolarHBondContact O-N 2.95Å; G40-S42 VanDerWaalsContact C-N 3.34Å; G40-S42 PolarHBondContact O-N 2.95Å; S42-G44 PolarHBondContact O-N 3.07Å; S42-G44 VanDerWaalsContact O-N 3.12Å; S42-F45 PolarHBondContact O-N 3.06Å; S42-V46 WeakPolarHBondContact O-CG2 3.36Å; S42-V46 PolarHBondContact O-N 3.07Å |
| 43 | I | 79.3 | Confident | 82.2 | Confident | 65 Ų | 65 | 29.7 Ų | 29.7 | 33% | 0.333 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -58.3 | -36.5 | -165.4 | -171.3 | 58.9 | 0 | 0 | 0 | 112.5 | F39 V46 A47 | F39-I43 HydrophobicContact CD1-CB 4.44Å; F39-I43 HydrophobicContact CD1-CG2 4.45Å; F39-I43 HydrophobicContact CE1-CB 4.11Å; F39-I43 HydrophobicContact CE1-CG1 4.15Å; F39-I43 HydrophobicContact CE1-CG2 4.15Å; F39-I43 HydrophobicContact CE2-CB 4.29Å; F39-I43 HydrophobicContact CE2-CD1 3.81Å; F39-I43 HydrophobicContact CE2-CG1 4.08Å; F39-I43 HydrophobicContact CZ-CB 4.03Å; F39-I43 HydrophobicContact CZ-CD1 3.84Å; F39-I43 HydrophobicContact CZ-CG1 3.68Å; F39-I43 VanDerWaalsContact O-CB 3.32Å; F39-I43 WeakPolarHBondContact O-CB 3.48Å; F39-I43 WeakPolarHBondContact O-CG2 3.33Å; F39-I43 PolarHBondContact O-N 2.92Å; I43-V46 PolarHBondContact O-N 2.86Å; I43-A47 WeakPolarHBondContact O-CB 3.41Å; I43-A47 PolarHBondContact O-N 3.44Å |
| 44 | G | 68.6 | Low | 82.1 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -76.7 | -24.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | S42 S48 A394 | S42-G44 PolarHBondContact O-N 3.07Å; S42-G44 VanDerWaalsContact O-N 3.12Å; G44-S48 WeakPolarHBondContact O-CB 3.02Å; G44-S48 PolarHBondContact O-N 3.25Å; G44-S48 PolarHBondContact O-OG 3.5Å; G44-A394 VanDerWaalsContact CA-CB 3.41Å |
| 45 | F | 79 | Confident | 81.6 | Confident | 24 Ų | 24 | 26.4 Ų | 26.4 | 11% | 0.105 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -73 | -37.6 | 168 | -76.2 | -86.2 | 0 | 0 | 0 | 111.3 | H14 S42 V49 G50 W63 L67 M393 | H14-F45 AromaticContact NE2-CD2 3.96Å; S42-F45 PolarHBondContact O-N 3.06Å; F45-V49 PolarHBondContact O-N 2.8Å; F45-G50 PolarHBondContact O-N 3.14Å; F45-W63 HydrophobicContact CB-CE3 3.87Å; F45-W63 HydrophobicContact CB-CZ3 4.36Å; F45-W63 HydrophobicContact CD1-CD2 4.42Å; F45-W63 AromaticContact CD1-CE3 3.73Å; F45-W63 HydrophobicContact CD1-CE3 3.73Å; F45-W63 HydrophobicContact CD1-CH2 4.04Å; F45-W63 AromaticContact CD1-CZ3 3.5Å; F45-W63 HydrophobicContact CD1-CZ3 3.5Å; F45-W63 HydrophobicContact CE1-CH2 4.1Å; F45-W63 AromaticContact CE1-CZ3 3.9Å; F45-W63 HydrophobicContact CE1-CZ3 3.9Å; F45-W63 HydrophobicContact CG-CE3 4.01Å; F45-W63 AromaticContact CG-CZ3 4Å; F45-W63 HydrophobicContact CG-CZ3 4Å; F45-L67 HydrophobicContact CB-CD1 3.45Å; F45-L67 VanDerWaalsContact CB-CD1 3.45Å; F45-L67 HydrophobicContact CG-CD1 4.38Å; F45-M393 HydrophobicContact CD1-CE 3.53Å; F45-M393 HydrophobicContact CD1-SD 4.33Å; F45-M393 HydrophobicContact CE1-CE 3.14Å; F45-M393 HydrophobicContact CE1-SD 3.74Å; F45-M393 HydrophobicContact CE2-CE 4.41Å; F45-M393 HydrophobicContact CE2-SD 3.99Å; F45-M393 HydrophobicContact CG-CE 4.32Å; F45-M393 HydrophobicContact CZ-CE 3.64Å; F45-M393 HydrophobicContact CZ-SD 3.52Å; F45-M393 VanDerWaalsContact CZ-SD 3.52Å |
| 46 | V | 85.2 | Confident | 81 | Confident | 12 Ų | 12 | 29.7 Ų | 29.7 | 7% | 0.073 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -60.7 | -49.8 | 174.5 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | S42 I43 G50 I51 L64 L67 P68 | S42-V46 WeakPolarHBondContact O-CG2 3.36Å; S42-V46 PolarHBondContact O-N 3.07Å; I43-V46 PolarHBondContact O-N 2.86Å; V46-G50 CarbonylContact O-C 3.57Å; V46-G50 WeakPolarHBondContact O-CA 3.49Å; V46-G50 PolarHBondContact O-N 3.26Å; V46-I51 WeakPolarHBondContact O-CG1 3.34Å; V46-I51 PolarHBondContact O-N 3.19Å; V46-L64 HydrophobicContact CG1-CD1 4.02Å; V46-L67 HydrophobicContact CG2-CB 3.62Å; V46-L67 HydrophobicContact CG2-CD1 3.95Å; V46-L67 HydrophobicContact CG2-CG 4.43Å; V46-P68 HydrophobicContact CG1-CG 4.21Å; V46-P68 HydrophobicContact CG2-CG 3.99Å |
| 47 | A | 72.3 | Confident | 80.7 | Confident | 17 Ų | 17 | 26.6 Ų | 26.6 | 14% | 0.14 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -68.8 | -40.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I43 V398 | I43-A47 WeakPolarHBondContact O-CB 3.41Å; I43-A47 PolarHBondContact O-N 3.44Å; A47-V398 HydrophobicContact CB-CG2 4.49Å |
| 48 | S | 70.7 | Confident | 80.5 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -82.8 | -63 | -174.1 | 63.2 | 0 | 0 | 0 | 0 | 113.5 | G44 S52 | G44-S48 WeakPolarHBondContact O-CB 3.02Å; G44-S48 PolarHBondContact O-N 3.25Å; G44-S48 PolarHBondContact O-OG 3.5Å; S48-S52 WeakPolarHBondContact O-CB 3.26Å; S48-S52 PolarHBondContact O-OG 3.06Å |
| 49 | V | 77.3 | Confident | 80.5 | Confident | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.012 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -88.7 | -39.6 | -175.7 | -171.6 | 0 | 0 | 0 | 0 | 110.4 | F45 F53 N61 W63 M352 | F45-V49 PolarHBondContact O-N 2.8Å; V49-F53 HydrophobicContact CG1-CD2 3.67Å; V49-F53 HydrophobicContact CG1-CE2 3.74Å; V49-F53 HydrophobicContact CG1-CG 4.19Å; V49-F53 HydrophobicContact CG1-CZ 4.3Å; V49-F53 VanDerWaalsContact O-CB 3.26Å; V49-F53 WeakPolarHBondContact O-CB 3.21Å; V49-F53 WeakPolarHBondContact O-CG 3.48Å; V49-F53 PolarHBondContact O-N 3.39Å; V49-N61 PolarHBondContact O-ND2 3.19Å; V49-W63 HydrophobicContact CB-CG 4.12Å; V49-W63 HydrophobicContact CG1-CG 4.06Å; V49-M352 HydrophobicContact CG2-CE 3.67Å |
| 50 | G | 86.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -57.5 | -71.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F45 V46 T54 N61 | F45-G50 PolarHBondContact O-N 3.14Å; V46-G50 CarbonylContact O-C 3.57Å; V46-G50 WeakPolarHBondContact O-CA 3.49Å; V46-G50 PolarHBondContact O-N 3.26Å; G50-T54 VanDerWaalsContact O-CB 3.26Å; G50-T54 WeakPolarHBondContact O-CB 3.38Å; G50-T54 PolarHBondContact O-N 2.91Å; G50-T54 PolarHBondContact O-OG1 2.62Å; G50-N61 WeakPolarHBondContact CA-OD1 3.35Å; G50-N61 PolarHBondContact O-ND2 3.05Å |
| 51 | I | 81.6 | Confident | 81.3 | Confident | 62 Ų | 62 | 19.8 Ų | 19.8 | 32% | 0.318 | 11% | 0.111 | S | C | . | . | I | π-helix | trans | -66.5 | -50.5 | -175.6 | -66 | 174.5 | 0 | 0 | 0 | 110.6 | V46 F53 T54 L55 L64 | V46-I51 WeakPolarHBondContact O-CG1 3.34Å; V46-I51 PolarHBondContact O-N 3.19Å; I51-F53 PolarHBondContact O-N 3.5Å; I51-T54 PolarHBondContact O-N 2.93Å; I51-L55 HydrophobicContact CG2-CD1 3.54Å; I51-L55 HydrophobicContact CG2-CG 3.99Å; I51-L55 WeakPolarHBondContact O-CB 3.31Å; I51-L55 WeakPolarHBondContact O-CG 3.42Å; I51-L55 PolarHBondContact O-N 3.45Å; I51-L64 HydrophobicContact CG1-CD1 3.73Å |
| 52 | S | 76.4 | Confident | 81.8 | Confident | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.007 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.3 | -42.4 | -171.5 | -51.3 | 0 | 0 | 0 | 0 | 113.1 | S48 K56 V397 | S48-S52 WeakPolarHBondContact O-CB 3.26Å; S48-S52 PolarHBondContact O-OG 3.06Å; S52-K56 WeakPolarHBondContact O-CB 3.2Å; S52-K56 PolarHBondContact O-N 3.4Å; S52-K56 VanDerWaalsContact O-N 3.11Å; S52-V397 VanDerWaalsContact OG-CG1 3.24Å; S52-V397 WeakPolarHBondContact OG-CG1 3.45Å |
| 53 | F | 80.9 | Confident | 82 | Confident | 3 Ų | 3 | 18.2 Ų | 18.2 | 1% | 0.013 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -72.6 | -36.3 | 179.4 | -70 | 9.7 | 0 | 0 | 0 | 111.3 | V49 I51 K56 T57 L118 V122 E237 I240 F241 | V49-F53 HydrophobicContact CG1-CD2 3.67Å; V49-F53 HydrophobicContact CG1-CE2 3.74Å; V49-F53 HydrophobicContact CG1-CG 4.19Å; V49-F53 HydrophobicContact CG1-CZ 4.3Å; V49-F53 VanDerWaalsContact O-CB 3.26Å; V49-F53 WeakPolarHBondContact O-CB 3.21Å; V49-F53 WeakPolarHBondContact O-CG 3.48Å; V49-F53 PolarHBondContact O-N 3.39Å; I51-F53 PolarHBondContact O-N 3.5Å; F53-K56 PolarHBondContact O-N 3.28Å; F53-T57 WeakPolarHBondContact O-CB 3.42Å; F53-T57 WeakPolarHBondContact O-CG2 3.49Å; F53-T57 PolarHBondContact O-N 3.14Å; F53-T57 PolarHBondContact O-OG1 3.05Å; F53-L118 HydrophobicContact CE1-CB 4.31Å; F53-V122 HydrophobicContact CE2-CG1 4.4Å; F53-V122 HydrophobicContact CZ-CB 4.11Å; F53-V122 HydrophobicContact CZ-CG1 3.86Å; F53-V122 HydrophobicContact CZ-CG2 4.45Å; F53-E237 HydrophobicContact CE2-CB 3.84Å; F53-I240 HydrophobicContact CB-CD1 4.11Å; F53-I240 HydrophobicContact CD2-CG2 3.95Å; F53-F241 HydrophobicContact CB-CZ 4.4Å; F53-F241 HydrophobicContact CD1-CE2 4.39Å; F53-F241 AromaticContact CD1-CZ 3.93Å; F53-F241 HydrophobicContact CD1-CZ 3.93Å; F53-F241 AromaticContact CD2-CE2 3.74Å; F53-F241 HydrophobicContact CD2-CE2 3.74Å; F53-F241 AromaticContact CD2-CZ 3.97Å; F53-F241 HydrophobicContact CD2-CZ 3.97Å; F53-F241 HydrophobicContact CE1-CE2 4.29Å; F53-F241 HydrophobicContact CE1-CZ 4.11Å; F53-F241 AromaticContact CE2-CE2 3.61Å; F53-F241 HydrophobicContact CE2-CE2 3.61Å; F53-F241 HydrophobicContact CE2-CZ 4.13Å; F53-F241 HydrophobicContact CG-CE2 4.13Å; F53-F241 AromaticContact CG-CZ 3.85Å; F53-F241 HydrophobicContact CG-CZ 3.85Å; F53-F241 AromaticContact CZ-CE2 3.9Å; F53-F241 HydrophobicContact CZ-CE2 3.9Å; F53-F241 HydrophobicContact CZ-CZ 4.19Å |
| 54 | T | 86.9 | Confident | 82.6 | Confident | 4 Ų | 4 | 15.5 Ų | 15.5 | 3% | 0.025 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.9 | -46.1 | 177.1 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | G50 I51 K56 G58 L59 L60 N61 L64 L97 | G50-T54 VanDerWaalsContact O-CB 3.26Å; G50-T54 WeakPolarHBondContact O-CB 3.38Å; G50-T54 PolarHBondContact O-N 2.91Å; G50-T54 PolarHBondContact O-OG1 2.62Å; I51-T54 PolarHBondContact O-N 2.93Å; T54-K56 VanDerWaalsContact C-N 3.33Å; T54-K56 PolarHBondContact O-N 2.98Å; T54-G58 WeakPolarHBondContact O-CA 3.15Å; T54-G58 PolarHBondContact O-N 3.18Å; T54-L59 VanDerWaalsContact CA-O 3.31Å; T54-L59 WeakPolarHBondContact CA-O 3.23Å; T54-L59 PolarHBondContact OG1-O 2.83Å; T54-L60 HydrophobicContact CG2-CD2 4.2Å; T54-N61 PolarHBondContact OG1-ND2 2.85Å; T54-L64 HydrophobicContact CG2-CD2 3.74Å; T54-L64 VanDerWaalsContact OG1-CD2 3.25Å; T54-L64 WeakPolarHBondContact OG1-CD2 3.46Å; T54-L97 HydrophobicContact CG2-CD1 3.21Å; T54-L97 HydrophobicContact CG2-CG 3.95Å |
| 55 | L | 80.2 | Confident | 83.7 | Confident | 21 Ų | 21 | 16.8 Ų | 16.8 | 11% | 0.11 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.4 | -43.7 | 177.4 | -71.5 | 179.4 | 0 | 0 | 0 | 111.1 | I51 V100 L104 L112 | I51-L55 HydrophobicContact CG2-CD1 3.54Å; I51-L55 HydrophobicContact CG2-CG 3.99Å; I51-L55 WeakPolarHBondContact O-CB 3.31Å; I51-L55 WeakPolarHBondContact O-CG 3.42Å; I51-L55 PolarHBondContact O-N 3.45Å; L55-V100 HydrophobicContact CD2-CG1 3.79Å; L55-L104 HydrophobicContact CD1-CD1 3.75Å; L55-L104 HydrophobicContact CD2-CD1 4.08Å; L55-L104 HydrophobicContact CG-CD1 4.48Å; L55-L112 HydrophobicContact CB-CD1 3.94Å; L55-L112 HydrophobicContact CB-CG 4.42Å; L55-L112 WeakPolarHBondContact O-CD1 3.49Å; L55-L112 WeakPolarHBondContact O-CD2 3.38Å |
| 56 | K | 77.6 | Confident | 84.5 | Confident | 69 Ų | 69 | 16.1 Ų | 16.1 | 30% | 0.3 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -67.4 | -44.4 | -179.4 | 175.9 | 61.4 | -171.4 | 174.1 | 0 | 113.2 | S52 F53 T54 L112 F241 | S52-K56 WeakPolarHBondContact O-CB 3.2Å; S52-K56 PolarHBondContact O-N 3.4Å; S52-K56 VanDerWaalsContact O-N 3.11Å; F53-K56 PolarHBondContact O-N 3.28Å; T54-K56 VanDerWaalsContact C-N 3.33Å; T54-K56 PolarHBondContact O-N 2.98Å; K56-L112 WeakPolarHBondContact CD-O 3.37Å; K56-F241 HydrophobicContact CG-CE1 4.29Å |
| 57 | T | 81.6 | Confident | 84.9 | Confident | 17 Ų | 17 | 15.6 Ų | 15.6 | 10% | 0.104 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -95.6 | -15.7 | -169.3 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | F53 L59 I240 F241 E244 | F53-T57 WeakPolarHBondContact O-CB 3.42Å; F53-T57 WeakPolarHBondContact O-CG2 3.49Å; F53-T57 PolarHBondContact O-N 3.14Å; F53-T57 PolarHBondContact O-OG1 3.05Å; T57-L59 PolarHBondContact O-N 3.46Å; T57-L59 PolarHBondContact OG1-N 2.76Å; T57-I240 HydrophobicContact CG2-CG1 4.1Å; T57-F241 HydrophobicContact CG2-CD1 3.64Å; T57-F241 HydrophobicContact CG2-CE1 3.45Å; T57-F241 VanDerWaalsContact CG2-CE1 3.45Å; T57-F241 HydrophobicContact CG2-CZ 4.19Å; T57-E244 HydrophobicContact CG2-CB 4.01Å; T57-E244 HydrophobicContact CG2-CG 4.09Å |
| 58 | G | 82.5 | Confident | 86 | Confident | 32 Ų | 32 | 15.3 Ų | 15.3 | 33% | 0.33 | 8% | 0.084 | S | C | . | . | S | Bend | trans | 71.4 | -1.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T54 | T54-G58 WeakPolarHBondContact O-CA 3.15Å; T54-G58 PolarHBondContact O-N 3.18Å |
| 59 | L | 89.3 | Confident | 87.2 | Confident | 11 Ų | 11 | 15.5 Ų | 15.5 | 6% | 0.058 | 9% | 0.085 | C | C | . | . | trans | -100.2 | 136.1 | -179 | -64.1 | 176.3 | 0 | 0 | 0 | 111.1 | T54 T57 K231 A234 I240 L243 E244 Y247 | T54-L59 VanDerWaalsContact CA-O 3.31Å; T54-L59 WeakPolarHBondContact CA-O 3.23Å; T54-L59 PolarHBondContact OG1-O 2.83Å; T57-L59 PolarHBondContact O-N 3.46Å; T57-L59 PolarHBondContact OG1-N 2.76Å; L59-K231 WeakPolarHBondContact CD2-O 3.34Å; L59-A234 HydrophobicContact CD1-CB 4.47Å; L59-I240 HydrophobicContact CB-CD1 4.33Å; L59-I240 HydrophobicContact CB-CG1 4.24Å; L59-I240 HydrophobicContact CD1-CG1 4.45Å; L59-L243 HydrophobicContact CD1-CB 3.9Å; L59-E244 HydrophobicContact CD1-CB 4.34Å; L59-Y247 HydrophobicContact CD1-CD2 4.04Å; L59-Y247 HydrophobicContact CD1-CE2 4.22Å; L59-Y247 HydrophobicContact CD2-CD2 3.96Å; L59-Y247 HydrophobicContact CD2-CE2 4.22Å | ||
| 60 | L | 91.8 | Very high | 88 | Confident | 7 Ų | 7 | 15.4 Ų | 15.4 | 4% | 0.037 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 147.7 | 170.6 | -67.2 | 171.1 | 0 | 0 | 0 | 110.2 | T54 L65 I93 L94 L97 I232 F233 A234 | T54-L60 HydrophobicContact CG2-CD2 4.2Å; L60-L65 HydrophobicContact CD1-CD1 4.4Å; L60-I93 HydrophobicContact CD1-CG2 4.3Å; L60-I93 HydrophobicContact CD2-CB 4.43Å; L60-I93 HydrophobicContact CD2-CG1 3.72Å; L60-I93 HydrophobicContact CD2-CG2 3.9Å; L60-L94 HydrophobicContact CD1-CD1 4.12Å; L60-L97 HydrophobicContact CD2-CD1 3.54Å; L60-L97 HydrophobicContact CG-CD1 4.08Å; L60-I232 WeakPolarHBondContact CB-O 3.3Å; L60-I232 PolarHBondContact N-O 2.97Å; L60-F233 HydrophobicContact CB-CD2 4.05Å; L60-F233 CarbonylContact O-C 3.02Å; L60-F233 VanDerWaalsContact O-CA 3.31Å; L60-F233 WeakPolarHBondContact O-CA 3.43Å; L60-F233 WeakPolarHBondContact O-CD2 3.4Å; L60-A234 PolarHBondContact O-N 3.29Å |
| 61 | N | 91.5 | Very high | 88.4 | Confident | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.011 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 163.4 | 172.2 | 68.4 | 63.9 | 0 | 0 | 0 | 113.2 | V49 G50 T54 W63 L64 L65 A234 I240 | V49-N61 PolarHBondContact O-ND2 3.19Å; G50-N61 WeakPolarHBondContact CA-OD1 3.35Å; G50-N61 PolarHBondContact O-ND2 3.05Å; T54-N61 PolarHBondContact OG1-ND2 2.85Å; N61-W63 PolarHBondContact O-N 3.24Å; N61-W63 WeakPolarHBondContact OD1-CA 3.32Å; N61-W63 VanDerWaalsContact OD1-CB 3.25Å; N61-W63 WeakPolarHBondContact OD1-CB 3.45Å; N61-W63 PolarHBondContact OD1-N 3.03Å; N61-L64 PolarHBondContact O-N 2.77Å; N61-L64 PolarHBondContact OD1-N 3.16Å; N61-L65 WeakPolarHBondContact O-CB 3.19Å; N61-L65 PolarHBondContact O-N 3.24Å; N61-A234 VanDerWaalsContact CA-O 3.28Å; N61-A234 WeakPolarHBondContact CA-O 3.4Å; N61-I240 HydrophobicContact CB-CD1 3.82Å |
| 62 | A | 92.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.5 | -33.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F13 F66 F233 G235 Y297 | F13-A62 HydrophobicContact CE1-CB 4.05Å; F13-A62 HydrophobicContact CE2-CB 3.7Å; F13-A62 HydrophobicContact CZ-CB 3.41Å; F13-A62 VanDerWaalsContact CZ-CB 3.41Å; A62-F66 HydrophobicContact CB-CD2 3.7Å; A62-F66 HydrophobicContact CB-CE2 3.85Å; A62-F66 WeakPolarHBondContact O-CB 3.34Å; A62-F66 PolarHBondContact O-N 2.9Å; A62-F233 HydrophobicContact CB-CE2 4.4Å; A62-F233 HydrophobicContact CB-CZ 4.11Å; A62-G235 VanDerWaalsContact CB-O 3.28Å; A62-G235 WeakPolarHBondContact CB-O 3.37Å; A62-Y297 WeakPolarHBondContact CB-OH 3.41Å |
| 63 | W | 90.6 | Very high | 90 | Very high | 31 Ų | 31 | 15.4 Ų | 15.4 | 12% | 0.117 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.2 | -43.8 | 179.1 | -48.8 | 99.3 | 0 | 0 | 0 | 111.6 | F13 F45 V49 N61 L67 E237 | F13-W63 HydrophobicContact CE1-CD2 4.09Å; F13-W63 AromaticContact CE1-CE3 3.75Å; F13-W63 HydrophobicContact CE1-CE3 3.75Å; F13-W63 HydrophobicContact CE1-CZ3 4.04Å; F45-W63 HydrophobicContact CB-CE3 3.87Å; F45-W63 HydrophobicContact CB-CZ3 4.36Å; F45-W63 HydrophobicContact CD1-CD2 4.42Å; F45-W63 AromaticContact CD1-CE3 3.73Å; F45-W63 HydrophobicContact CD1-CE3 3.73Å; F45-W63 HydrophobicContact CD1-CH2 4.04Å; F45-W63 AromaticContact CD1-CZ3 3.5Å; F45-W63 HydrophobicContact CD1-CZ3 3.5Å; F45-W63 HydrophobicContact CE1-CH2 4.1Å; F45-W63 AromaticContact CE1-CZ3 3.9Å; F45-W63 HydrophobicContact CE1-CZ3 3.9Å; F45-W63 HydrophobicContact CG-CE3 4.01Å; F45-W63 AromaticContact CG-CZ3 4Å; F45-W63 HydrophobicContact CG-CZ3 4Å; V49-W63 HydrophobicContact CB-CG 4.12Å; V49-W63 HydrophobicContact CG1-CG 4.06Å; N61-W63 PolarHBondContact O-N 3.24Å; N61-W63 WeakPolarHBondContact OD1-CA 3.32Å; N61-W63 VanDerWaalsContact OD1-CB 3.25Å; N61-W63 WeakPolarHBondContact OD1-CB 3.45Å; N61-W63 PolarHBondContact OD1-N 3.03Å; W63-L67 HydrophobicContact CB-CD1 4.39Å; W63-L67 HydrophobicContact CE3-CD1 3.84Å; W63-L67 HydrophobicContact CE3-CG 4.46Å; W63-L67 VanDerWaalsContact O-CB 3.27Å; W63-L67 WeakPolarHBondContact O-CB 2.93Å; W63-E237 PolarHBondContact NE1-OE2 3.31Å; W63-E237 VanDerWaalsContact NE1-OE2 3.14Å |
| 64 | L | 91.7 | Very high | 90.6 | Very high | 7 Ų | 7 | 15.2 Ų | 15.2 | 4% | 0.037 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -76.3 | -32.6 | 178.6 | -170.4 | 57.2 | 0 | 0 | 0 | 112.7 | V46 I51 T54 N61 P68 W89 I93 | V46-L64 HydrophobicContact CG1-CD1 4.02Å; I51-L64 HydrophobicContact CG1-CD1 3.73Å; T54-L64 HydrophobicContact CG2-CD2 3.74Å; T54-L64 VanDerWaalsContact OG1-CD2 3.25Å; T54-L64 WeakPolarHBondContact OG1-CD2 3.46Å; N61-L64 PolarHBondContact O-N 2.77Å; N61-L64 PolarHBondContact OD1-N 3.16Å; L64-P68 VanDerWaalsContact O-CD 3.29Å; L64-P68 WeakPolarHBondContact O-CD 3.46Å; L64-P68 WeakPolarHBondContact O-CG 3.43Å; L64-W89 HydrophobicContact CD1-CZ2 4.28Å; L64-W89 PolarHBondContact O-NE1 3.04Å; L64-W89 VanDerWaalsContact O-NE1 3.1Å; L64-I93 HydrophobicContact CD1-CD1 3.79Å; L64-I93 HydrophobicContact CD2-CD1 3.67Å; L64-I93 HydrophobicContact CD2-CG1 3.93Å; L64-I93 HydrophobicContact CG-CD1 3.54Å; L64-I93 HydrophobicContact CG-CG1 4.02Å |
| 65 | L | 93.2 | Very high | 90.9 | Very high | 30 Ų | 30 | 18.6 Ų | 18.6 | 16% | 0.157 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -84.1 | -44.2 | -175.2 | -161.4 | 67.3 | 0 | 0 | 0 | 112.2 | L60 N61 T69 I93 F233 | L60-L65 HydrophobicContact CD1-CD1 4.4Å; N61-L65 WeakPolarHBondContact O-CB 3.19Å; N61-L65 PolarHBondContact O-N 3.24Å; L65-T69 VanDerWaalsContact O-CG2 3.31Å; L65-T69 WeakPolarHBondContact O-CG2 3.33Å; L65-I93 HydrophobicContact CD1-CG2 3.91Å; L65-F233 HydrophobicContact CB-CE2 4.45Å; L65-F233 HydrophobicContact CD2-CD2 3.98Å; L65-F233 HydrophobicContact CD2-CE2 3.9Å |
| 66 | F | 94.9 | Very high | 91.5 | Very high | 10 Ų | 10 | 17.6 Ų | 17.6 | 4% | 0.044 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -100.1 | -36.2 | -168.3 | -53.4 | -38.1 | 0 | 0 | 0 | 114.1 | T2 F13 A62 T69 D70 I224 F233 V290 | T2-F66 HydrophobicContact CG2-CD1 3.81Å; T2-F66 HydrophobicContact CG2-CE1 4.09Å; F13-F66 HydrophobicContact CB-CB 3.57Å; F13-F66 HydrophobicContact CB-CG 4.49Å; F13-F66 HydrophobicContact CD1-CB 4.15Å; F13-F66 HydrophobicContact CD2-CB 4.29Å; F13-F66 AromaticContact CD2-CD2 3.8Å; F13-F66 HydrophobicContact CD2-CD2 3.8Å; F13-F66 HydrophobicContact CE2-CD2 4.17Å; F13-F66 HydrophobicContact CG-CB 3.75Å; F13-F66 HydrophobicContact CG-CD2 4.12Å; F13-F66 HydrophobicContact CG-CG 4.44Å; A62-F66 HydrophobicContact CB-CD2 3.7Å; A62-F66 HydrophobicContact CB-CE2 3.85Å; A62-F66 WeakPolarHBondContact O-CB 3.34Å; A62-F66 PolarHBondContact O-N 2.9Å; F66-T69 WeakPolarHBondContact CA-OG1 3.36Å; F66-T69 CarbonylContact O-C 3.33Å; F66-T69 WeakPolarHBondContact O-CA 3.38Å; F66-T69 PolarHBondContact O-N 2.84Å; F66-T69 PolarHBondContact O-OG1 2.92Å; F66-D70 PolarHBondContact O-N 2.77Å; F66-I224 HydrophobicContact CE1-CD1 4.48Å; F66-I224 HydrophobicContact CE1-CG1 4.35Å; F66-I224 HydrophobicContact CE2-CD1 4.15Å; F66-I224 HydrophobicContact CE2-CG1 4.47Å; F66-I224 HydrophobicContact CZ-CD1 3.85Å; F66-I224 HydrophobicContact CZ-CG1 3.76Å; F66-F233 HydrophobicContact CE2-CE2 4.21Å; F66-F233 AromaticContact CE2-CZ 3.78Å; F66-F233 HydrophobicContact CE2-CZ 3.78Å; F66-F233 HydrophobicContact CZ-CE2 4.1Å; F66-F233 AromaticContact CZ-CZ 3.87Å; F66-F233 HydrophobicContact CZ-CZ 3.87Å; F66-V290 HydrophobicContact CD1-CG1 4.48Å; F66-V290 HydrophobicContact CD2-CG1 4.34Å; F66-V290 HydrophobicContact CG-CG1 4.29Å |
| 67 | L | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.7 | -44.1 | 179.7 | -67.2 | -176.3 | 0 | 0 | 0 | 113.6 | F13 H14 F45 V46 W63 T69 D70 I71 | F13-L67 HydrophobicContact CD1-CD2 3.67Å; F13-L67 HydrophobicContact CD1-CG 3.96Å; F13-L67 HydrophobicContact CE1-CD2 4.43Å; F13-L67 HydrophobicContact CE1-CG 4.45Å; H14-L67 HydrophobicContact CB-CD2 3.5Å; H14-L67 VanDerWaalsContact CB-CD2 3.5Å; F45-L67 HydrophobicContact CB-CD1 3.45Å; F45-L67 VanDerWaalsContact CB-CD1 3.45Å; F45-L67 HydrophobicContact CG-CD1 4.38Å; V46-L67 HydrophobicContact CG2-CB 3.62Å; V46-L67 HydrophobicContact CG2-CD1 3.95Å; V46-L67 HydrophobicContact CG2-CG 4.43Å; W63-L67 HydrophobicContact CB-CD1 4.39Å; W63-L67 HydrophobicContact CE3-CD1 3.84Å; W63-L67 HydrophobicContact CE3-CG 4.46Å; W63-L67 VanDerWaalsContact O-CB 3.27Å; W63-L67 WeakPolarHBondContact O-CB 2.93Å; L67-T69 PolarHBondContact O-N 2.93Å; L67-D70 WeakPolarHBondContact O-CB 3.41Å; L67-D70 PolarHBondContact O-N 2.87Å; L67-D70 VanDerWaalsContact O-N 3.16Å; L67-I71 WeakPolarHBondContact O-CG1 3.48Å; L67-I71 PolarHBondContact O-N 2.96Å; L67-I71 VanDerWaalsContact O-N 3.15Å |
| 68 | P | 95 | Very high | 92.7 | Very high | 12 Ų | 12 | 23.6 Ų | 23.6 | 8% | 0.078 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.9 | -35.7 | 173.4 | -25.8 | 38.5 | 0 | 0 | 0 | 111.8 | V46 L64 D70 I71 L72 W89 | V46-P68 HydrophobicContact CG1-CG 4.21Å; V46-P68 HydrophobicContact CG2-CG 3.99Å; L64-P68 VanDerWaalsContact O-CD 3.29Å; L64-P68 WeakPolarHBondContact O-CD 3.46Å; L64-P68 WeakPolarHBondContact O-CG 3.43Å; P68-D70 VanDerWaalsContact C-N 3.35Å; P68-D70 PolarHBondContact O-N 3.12Å; P68-I71 PolarHBondContact O-N 2.79Å; P68-L72 WeakPolarHBondContact O-CB 3.42Å; P68-L72 WeakPolarHBondContact O-CG 3.28Å; P68-L72 PolarHBondContact O-N 3.18Å; P68-W89 HydrophobicContact CB-CD2 4.06Å; P68-W89 HydrophobicContact CB-CG 4.38Å; P68-W89 HydrophobicContact CB-CZ2 3.82Å; P68-W89 HydrophobicContact CG-CH2 4.48Å; P68-W89 HydrophobicContact CG-CZ2 3.57Å |
| 69 | T | 95.7 | Very high | 93.2 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.1 | -30.4 | 177.4 | 65.4 | 0 | 0 | 0 | 0 | 113.3 | T2 S3 L65 F66 L67 G73 | T2-T69 WeakPolarHBondContact CB-OG1 3.39Å; T2-T69 VanDerWaalsContact OG1-CB 3.25Å; T2-T69 WeakPolarHBondContact OG1-CB 3.23Å; T2-T69 PolarHBondContact OG1-OG1 3.35Å; S3-T69 VanDerWaalsContact CA-O 3.29Å; S3-T69 WeakPolarHBondContact CA-O 3.38Å; S3-T69 WeakPolarHBondContact CB-O 3.38Å; S3-T69 PolarHBondContact OG-O 3.31Å; L65-T69 VanDerWaalsContact O-CG2 3.31Å; L65-T69 WeakPolarHBondContact O-CG2 3.33Å; F66-T69 WeakPolarHBondContact CA-OG1 3.36Å; F66-T69 CarbonylContact O-C 3.33Å; F66-T69 WeakPolarHBondContact O-CA 3.38Å; F66-T69 PolarHBondContact O-N 2.84Å; F66-T69 PolarHBondContact O-OG1 2.92Å; L67-T69 PolarHBondContact O-N 2.93Å; T69-G73 PolarHBondContact O-N 3.04Å |
| 70 | D | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.7 | -50.8 | 170.4 | -70.7 | -16.2 | 0 | 0 | 0 | 109.8 | V12 F13 H14 I17 F66 L67 P68 G73 V74 | V12-D70 WeakPolarHBondContact CA-OD1 3.17Å; V12-D70 HydrophobicContact CG1-CB 4.35Å; F13-D70 WeakPolarHBondContact CA-OD2 3.41Å; F13-D70 WeakPolarHBondContact CB-OD2 3.39Å; F13-D70 PolarHBondContact N-OD1 2.84Å; F13-D70 VanDerWaalsContact N-OD1 3.13Å; F13-D70 PolarHBondContact N-OD2 2.79Å; H14-D70 PolarHBondContact N-OD2 2.99Å; I17-D70 HydrophobicContact CD1-CB 4.09Å; F66-D70 PolarHBondContact O-N 2.77Å; L67-D70 WeakPolarHBondContact O-CB 3.41Å; L67-D70 PolarHBondContact O-N 2.87Å; L67-D70 VanDerWaalsContact O-N 3.16Å; P68-D70 VanDerWaalsContact C-N 3.35Å; P68-D70 PolarHBondContact O-N 3.12Å; D70-G73 PolarHBondContact O-N 2.92Å; D70-V74 VanDerWaalsContact O-CG2 3.29Å; D70-V74 WeakPolarHBondContact O-CG2 3.35Å; D70-V74 PolarHBondContact O-N 3.35Å |
| 71 | I | 94.4 | Very high | 93.5 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 8% | 0.077 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.8 | -53.1 | 178.9 | -59.2 | 163.7 | 0 | 0 | 0 | 110.8 | A38 F39 L67 P68 G73 V74 L75 | A38-I71 HydrophobicContact CB-CG1 4.43Å; F39-I71 HydrophobicContact CB-CD1 4.45Å; F39-I71 HydrophobicContact CB-CG2 4.15Å; F39-I71 HydrophobicContact CD2-CD1 4.04Å; F39-I71 HydrophobicContact CD2-CG2 4.28Å; L67-I71 WeakPolarHBondContact O-CG1 3.48Å; L67-I71 PolarHBondContact O-N 2.96Å; L67-I71 VanDerWaalsContact O-N 3.15Å; P68-I71 PolarHBondContact O-N 2.79Å; I71-G73 VanDerWaalsContact C-N 3.26Å; I71-G73 PolarHBondContact O-N 2.91Å; I71-V74 PolarHBondContact O-N 3.47Å; I71-L75 HydrophobicContact CG2-CD1 3.8Å; I71-L75 WeakPolarHBondContact O-CB 3.28Å; I71-L75 WeakPolarHBondContact O-CG 3.37Å; I71-L75 PolarHBondContact O-N 2.86Å |
| 72 | L | 95.4 | Very high | 93.7 | Very high | 47 Ų | 47 | 33.2 Ų | 33.2 | 25% | 0.246 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.8 | -37.8 | -179.2 | -69 | 170.6 | 0 | 0 | 0 | 111.5 | P68 A76 L85 W89 | P68-L72 WeakPolarHBondContact O-CB 3.42Å; P68-L72 WeakPolarHBondContact O-CG 3.28Å; P68-L72 PolarHBondContact O-N 3.18Å; L72-A76 WeakPolarHBondContact O-CB 3.48Å; L72-A76 PolarHBondContact O-N 3.27Å; L72-L85 HydrophobicContact CB-CB 4.25Å; L72-L85 HydrophobicContact CD1-CB 4.39Å; L72-L85 HydrophobicContact CD2-CD1 4.41Å; L72-W89 HydrophobicContact CD1-CB 4.08Å; L72-W89 HydrophobicContact CD1-CG 4.43Å |
| 73 | G | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.1 | -46 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S3 H7 T69 D70 I71 L75 A76 | S3-G73 WeakPolarHBondContact O-CA 3.4Å; S3-G73 WeakPolarHBondContact OG-CA 3.2Å; S3-G73 PolarHBondContact OG-N 3.08Å; S3-G73 VanDerWaalsContact OG-N 3.07Å; H7-G73 WeakPolarHBondContact CA-O 3.15Å; H7-G73 VanDerWaalsContact CB-O 3.24Å; H7-G73 WeakPolarHBondContact CB-O 3.49Å; T69-G73 PolarHBondContact O-N 3.04Å; D70-G73 PolarHBondContact O-N 2.92Å; I71-G73 VanDerWaalsContact C-N 3.26Å; I71-G73 PolarHBondContact O-N 2.91Å; G73-L75 VanDerWaalsContact C-N 3.34Å; G73-L75 PolarHBondContact O-N 3.36Å; G73-A76 PolarHBondContact O-N 2.78Å |
| 74 | V | 94 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.7 | -44.2 | 177.6 | 173.7 | 0 | 0 | 0 | 0 | 111 | L21 L24 R31 A34 D70 I71 A76 | L21-V74 HydrophobicContact CD2-CG2 3.76Å; L24-V74 HydrophobicContact CD2-CG1 4.47Å; R31-V74 PolarHBondContact NH1-O 2.89Å; A34-V74 HydrophobicContact CB-CG1 3.64Å; D70-V74 VanDerWaalsContact O-CG2 3.29Å; D70-V74 WeakPolarHBondContact O-CG2 3.35Å; D70-V74 PolarHBondContact O-N 3.35Å; I71-V74 PolarHBondContact O-N 3.47Å; V74-A76 VanDerWaalsContact C-N 3.3Å; V74-A76 PolarHBondContact O-N 3.07Å |
| 75 | L | 93.3 | Very high | 94.4 | Very high | 75 Ų | 75 | 39.9 Ų | 39.9 | 39% | 0.393 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.3 | -23.9 | 178.7 | -75.1 | 171.8 | 0 | 0 | 0 | 113.8 | I71 G73 I77 | I71-L75 HydrophobicContact CG2-CD1 3.8Å; I71-L75 WeakPolarHBondContact O-CB 3.28Å; I71-L75 WeakPolarHBondContact O-CG 3.37Å; I71-L75 PolarHBondContact O-N 2.86Å; G73-L75 VanDerWaalsContact C-N 3.34Å; G73-L75 PolarHBondContact O-N 3.36Å; L75-I77 PolarHBondContact O-N 3.48Å |
| 76 | A | 93.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -64.3 | 134 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | H7 R31 L72 G73 V74 M81 A82 | H7-A76 PolarHBondContact CE1-O 3.14Å; H7-A76 PolarHBondContact ND1-O 3.45Å; R31-A76 VanDerWaalsContact CD-O 3.29Å; R31-A76 WeakPolarHBondContact CD-O 3.2Å; R31-A76 PolarHBondContact NE-O 3Å; L72-A76 WeakPolarHBondContact O-CB 3.48Å; L72-A76 PolarHBondContact O-N 3.27Å; G73-A76 PolarHBondContact O-N 2.78Å; V74-A76 VanDerWaalsContact C-N 3.3Å; V74-A76 PolarHBondContact O-N 3.07Å; A76-M81 VanDerWaalsContact CA-CE 3.45Å; A76-M81 HydrophobicContact CB-CE 3.9Å; A76-A82 HydrophobicContact CB-CB 3.59Å | ||
| 77 | I | 90 | Very high | 94.5 | Very high | 135 Ų | 135 | 40.6 Ų | 40.6 | 69% | 0.692 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -71.4 | -38.6 | -179.2 | -58.9 | 164.5 | 0 | 0 | 0 | 111.4 | L75 M81 | L75-I77 PolarHBondContact O-N 3.48Å; I77-M81 HydrophobicContact CB-CE 4.08Å; I77-M81 HydrophobicContact CD1-CE 4.25Å; I77-M81 HydrophobicContact CG1-CE 3.97Å |
| 78 | N | 93.1 | Very high | 94.7 | Very high | 77 Ų | 77 | 46 Ų | 46 | 41% | 0.412 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -137.5 | 163.8 | 179.5 | 68 | 51.5 | 0 | 0 | 0 | 111.8 | L80 M81 A82 | N78-L80 VanDerWaalsContact C-N 3.31Å; N78-L80 PolarHBondContact O-N 2.89Å; N78-L80 PolarHBondContact OD1-N 2.88Å; N78-M81 PolarHBondContact O-N 2.92Å; N78-M81 WeakPolarHBondContact OD1-CB 3.39Å; N78-M81 PolarHBondContact OD1-N 3.35Å; N78-A82 PolarHBondContact O-N 2.75Å |
| 79 | S | 92.8 | Very high | 94.7 | Very high | 41 Ų | 41 | 48.4 Ų | 48.4 | 29% | 0.287 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.6 | -33.5 | -175.8 | -68.5 | 0 | 0 | 0 | 0 | 113.4 | H7 A82 F83 | H7-S79 PolarHBondContact CD2-OG 3.21Å; H7-S79 VanDerWaalsContact CD2-OG 3.28Å; H7-S79 PolarHBondContact NE2-N 3.16Å; H7-S79 PolarHBondContact NE2-OG 2.87Å; S79-A82 PolarHBondContact O-N 3.07Å; S79-F83 PolarHBondContact O-N 3.18Å |
| 80 | L | 93.6 | Very high | 94.5 | Very high | 142 Ų | 142 | 49.5 Ų | 49.5 | 74% | 0.743 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -68.3 | -43.5 | 179 | -172.7 | 70.9 | 0 | 0 | 0 | 110.8 | N78 F83 G84 | N78-L80 VanDerWaalsContact C-N 3.31Å; N78-L80 PolarHBondContact O-N 2.89Å; N78-L80 PolarHBondContact OD1-N 2.88Å; L80-F83 PolarHBondContact O-N 3.4Å; L80-G84 PolarHBondContact O-N 3.49Å |
| 81 | M | 95.1 | Very high | 94.4 | Very high | 71 Ų | 71 | 54 Ų | 54 | 35% | 0.35 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 176.3 | -165.9 | 175.7 | 84.7 | 0 | 0 | 111.1 | A76 I77 N78 F83 G84 L85 | A76-M81 VanDerWaalsContact CA-CE 3.45Å; A76-M81 HydrophobicContact CB-CE 3.9Å; I77-M81 HydrophobicContact CB-CE 4.08Å; I77-M81 HydrophobicContact CD1-CE 4.25Å; I77-M81 HydrophobicContact CG1-CE 3.97Å; N78-M81 PolarHBondContact O-N 2.92Å; N78-M81 WeakPolarHBondContact OD1-CB 3.39Å; N78-M81 PolarHBondContact OD1-N 3.35Å; M81-F83 PolarHBondContact O-N 2.97Å; M81-G84 PolarHBondContact O-N 3.35Å; M81-L85 HydrophobicContact CE-CD1 4.24Å; M81-L85 HydrophobicContact CG-CD1 4.02Å; M81-L85 HydrophobicContact CG-CG 4.24Å; M81-L85 WeakPolarHBondContact O-CB 3.5Å; M81-L85 VanDerWaalsContact O-CG 3.26Å; M81-L85 WeakPolarHBondContact O-CG 3.49Å; M81-L85 PolarHBondContact O-N 3.46Å |
| 82 | A | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.1 | -47.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | S3 H7 A76 N78 S79 G84 G86 | S3-A82 VanDerWaalsContact CB-O 3.26Å; S3-A82 WeakPolarHBondContact CB-O 3.4Å; S3-A82 PolarHBondContact OG-O 3.36Å; H7-A82 HydrophobicContact CB-CB 3.53Å; A76-A82 HydrophobicContact CB-CB 3.59Å; N78-A82 PolarHBondContact O-N 2.75Å; S79-A82 PolarHBondContact O-N 3.07Å; A82-G84 PolarHBondContact O-N 3.45Å; A82-G86 PolarHBondContact O-N 3.44Å; A82-G86 VanDerWaalsContact O-N 3.07Å |
| 83 | F | 96 | Very high | 94 | Very high | 97 Ų | 97 | 55.9 Ų | 55.9 | 43% | 0.425 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 176.4 | -177.5 | -90.4 | 0 | 0 | 0 | 111.8 | M1 L4 S79 L80 M81 G86 A87 | M1-F83 HydrophobicContact CG-CE2 4.19Å; M1-F83 HydrophobicContact SD-CD2 3.88Å; M1-F83 HydrophobicContact SD-CE2 3.61Å; L4-F83 HydrophobicContact CD2-CD2 4.47Å; S79-F83 PolarHBondContact O-N 3.18Å; L80-F83 PolarHBondContact O-N 3.4Å; M81-F83 PolarHBondContact O-N 2.97Å; F83-G86 PolarHBondContact O-N 2.81Å; F83-A87 PolarHBondContact O-N 3.46Å |
| 84 | G | 96.4 | Very high | 93.7 | Very high | 26 Ų | 26 | 60.7 Ų | 60.7 | 27% | 0.268 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L80 M81 A82 G86 A87 I88 | L80-G84 PolarHBondContact O-N 3.49Å; M81-G84 PolarHBondContact O-N 3.35Å; A82-G84 PolarHBondContact O-N 3.45Å; G84-G86 VanDerWaalsContact C-N 3.33Å; G84-G86 PolarHBondContact O-N 2.83Å; G84-A87 PolarHBondContact O-N 2.9Å; G84-A87 VanDerWaalsContact O-N 3.15Å; G84-I88 WeakPolarHBondContact O-CG1 3.41Å; G84-I88 PolarHBondContact O-N 3.26Å |
| 85 | L | 96.1 | Very high | 93.4 | Very high | 54 Ų | 54 | 64.7 Ų | 64.7 | 28% | 0.283 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 177 | -71.4 | 173.4 | 0 | 0 | 0 | 111.6 | L72 M81 A87 I88 W89 | L72-L85 HydrophobicContact CB-CB 4.25Å; L72-L85 HydrophobicContact CD1-CB 4.39Å; L72-L85 HydrophobicContact CD2-CD1 4.41Å; M81-L85 HydrophobicContact CE-CD1 4.24Å; M81-L85 HydrophobicContact CG-CD1 4.02Å; M81-L85 HydrophobicContact CG-CG 4.24Å; M81-L85 WeakPolarHBondContact O-CB 3.5Å; M81-L85 VanDerWaalsContact O-CG 3.26Å; M81-L85 WeakPolarHBondContact O-CG 3.49Å; M81-L85 PolarHBondContact O-N 3.46Å; L85-A87 VanDerWaalsContact C-N 3.34Å; L85-A87 PolarHBondContact O-N 3.5Å; L85-I88 PolarHBondContact O-N 3.47Å; L85-W89 PolarHBondContact O-N 2.85Å |
| 86 | G | 95.6 | Very high | 93 | Very high | 9 Ų | 9 | 63.5 Ų | 63.5 | 9% | 0.093 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A82 F83 G84 G90 | A82-G86 PolarHBondContact O-N 3.44Å; A82-G86 VanDerWaalsContact O-N 3.07Å; F83-G86 PolarHBondContact O-N 2.81Å; G84-G86 VanDerWaalsContact C-N 3.33Å; G84-G86 PolarHBondContact O-N 2.83Å; G86-G90 PolarHBondContact O-N 2.78Å; G86-G90 VanDerWaalsContact O-N 3.1Å |
| 87 | A | 95.3 | Very high | 92.4 | Very high | 46 Ų | 46 | 64.8 Ų | 64.8 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.5 | -44.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F83 G84 L85 W89 G90 V91 | F83-A87 PolarHBondContact O-N 3.46Å; G84-A87 PolarHBondContact O-N 2.9Å; G84-A87 VanDerWaalsContact O-N 3.15Å; L85-A87 VanDerWaalsContact C-N 3.34Å; L85-A87 PolarHBondContact O-N 3.5Å; A87-W89 VanDerWaalsContact C-N 3.33Å; A87-W89 PolarHBondContact O-N 2.93Å; A87-G90 PolarHBondContact O-N 3.14Å; A87-V91 WeakPolarHBondContact O-CG2 3.3Å; A87-V91 PolarHBondContact O-N 2.8Å |
| 88 | I | 96.4 | Very high | 91.8 | Very high | 115 Ų | 115 | 64 Ų | 64 | 59% | 0.59 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -59.1 | -45.5 | 176.1 | -69 | 166 | 0 | 0 | 0 | 110.4 | G84 L85 G90 V91 L92 | G84-I88 WeakPolarHBondContact O-CG1 3.41Å; G84-I88 PolarHBondContact O-N 3.26Å; L85-I88 PolarHBondContact O-N 3.47Å; I88-G90 VanDerWaalsContact C-N 3.35Å; I88-G90 PolarHBondContact O-N 2.96Å; I88-V91 PolarHBondContact O-N 2.93Å; I88-L92 VanDerWaalsContact O-CB 3.31Å; I88-L92 WeakPolarHBondContact O-CB 3.44Å; I88-L92 PolarHBondContact O-N 3.47Å |
| 89 | W | 95.3 | Very high | 91.1 | Very high | 61 Ų | 61 | 63.7 Ų | 63.7 | 23% | 0.231 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 176.9 | -177 | -109.4 | 0 | 0 | 0 | 112.4 | L64 P68 L72 L85 A87 V91 L92 I93 | L64-W89 HydrophobicContact CD1-CZ2 4.28Å; L64-W89 PolarHBondContact O-NE1 3.04Å; L64-W89 VanDerWaalsContact O-NE1 3.1Å; P68-W89 HydrophobicContact CB-CD2 4.06Å; P68-W89 HydrophobicContact CB-CG 4.38Å; P68-W89 HydrophobicContact CB-CZ2 3.82Å; P68-W89 HydrophobicContact CG-CH2 4.48Å; P68-W89 HydrophobicContact CG-CZ2 3.57Å; L72-W89 HydrophobicContact CD1-CB 4.08Å; L72-W89 HydrophobicContact CD1-CG 4.43Å; L85-W89 PolarHBondContact O-N 2.85Å; A87-W89 VanDerWaalsContact C-N 3.33Å; A87-W89 PolarHBondContact O-N 2.93Å; W89-V91 PolarHBondContact O-N 3.29Å; W89-L92 HydrophobicContact CE3-CD2 3.9Å; W89-L92 HydrophobicContact CZ3-CD2 3.8Å; W89-L92 PolarHBondContact O-N 2.94Å; W89-I93 HydrophobicContact CH2-CD1 4.12Å; W89-I93 HydrophobicContact CZ2-CD1 3.66Å; W89-I93 PolarHBondContact O-N 3.32Å |
| 90 | G | 92.7 | Very high | 90.5 | Very high | 29 Ų | 29 | 64.6 Ų | 64.6 | 30% | 0.299 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G86 A87 I88 L94 | G86-G90 PolarHBondContact O-N 2.78Å; G86-G90 VanDerWaalsContact O-N 3.1Å; A87-G90 PolarHBondContact O-N 3.14Å; I88-G90 VanDerWaalsContact C-N 3.35Å; I88-G90 PolarHBondContact O-N 2.96Å; G90-L94 WeakPolarHBondContact O-CB 3.41Å; G90-L94 PolarHBondContact O-N 2.92Å |
| 91 | V | 92.7 | Very high | 89.6 | Confident | 93 Ų | 93 | 59.6 Ų | 59.6 | 56% | 0.564 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.1 | -50 | 174.7 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | A87 I88 W89 I93 L94 T95 | A87-V91 WeakPolarHBondContact O-CG2 3.3Å; A87-V91 PolarHBondContact O-N 2.8Å; I88-V91 PolarHBondContact O-N 2.93Å; W89-V91 PolarHBondContact O-N 3.29Å; V91-I93 PolarHBondContact O-N 3.34Å; V91-L94 PolarHBondContact O-N 2.96Å; V91-T95 HydrophobicContact CG1-CG2 4.15Å; V91-T95 WeakPolarHBondContact O-CG2 3.47Å; V91-T95 PolarHBondContact O-N 3.36Å; V91-T95 PolarHBondContact O-OG1 3.01Å |
| 92 | L | 92.3 | Very high | 88.5 | Confident | 80 Ų | 80 | 62.1 Ų | 62.1 | 42% | 0.419 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -55.1 | -51.2 | -177.8 | -177 | 73.2 | 0 | 0 | 0 | 111.5 | I88 W89 L94 T95 C96 | I88-L92 VanDerWaalsContact O-CB 3.31Å; I88-L92 WeakPolarHBondContact O-CB 3.44Å; I88-L92 PolarHBondContact O-N 3.47Å; W89-L92 HydrophobicContact CE3-CD2 3.9Å; W89-L92 HydrophobicContact CZ3-CD2 3.8Å; W89-L92 PolarHBondContact O-N 2.94Å; L92-L94 VanDerWaalsContact C-N 3.3Å; L92-L94 PolarHBondContact O-N 3.49Å; L92-T95 PolarHBondContact O-N 3.05Å; L92-T95 PolarHBondContact O-OG1 3.34Å; L92-C96 WeakPolarHBondContact O-CB 3.06Å; L92-C96 PolarHBondContact O-N 3.15Å; L92-C96 PolarHBondContact O-SG 2.95Å |
| 93 | I | 89.8 | Confident | 87.6 | Confident | 22 Ų | 22 | 67.8 Ų | 67.8 | 11% | 0.113 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64 | -38.2 | -176.8 | -152.1 | 87 | 0 | 0 | 0 | 111.4 | L60 L64 L65 W89 V91 L97 | L60-I93 HydrophobicContact CD1-CG2 4.3Å; L60-I93 HydrophobicContact CD2-CB 4.43Å; L60-I93 HydrophobicContact CD2-CG1 3.72Å; L60-I93 HydrophobicContact CD2-CG2 3.9Å; L64-I93 HydrophobicContact CD1-CD1 3.79Å; L64-I93 HydrophobicContact CD2-CD1 3.67Å; L64-I93 HydrophobicContact CD2-CG1 3.93Å; L64-I93 HydrophobicContact CG-CD1 3.54Å; L64-I93 HydrophobicContact CG-CG1 4.02Å; L65-I93 HydrophobicContact CD1-CG2 3.91Å; W89-I93 HydrophobicContact CH2-CD1 4.12Å; W89-I93 HydrophobicContact CZ2-CD1 3.66Å; W89-I93 PolarHBondContact O-N 3.32Å; V91-I93 PolarHBondContact O-N 3.34Å; I93-L97 WeakPolarHBondContact O-CB 3.36Å; I93-L97 PolarHBondContact O-N 3.39Å |
| 94 | L | 87.5 | Confident | 86.5 | Confident | 102 Ų | 102 | 65 Ų | 65 | 53% | 0.534 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -73.1 | -39 | -178.2 | -156.2 | 112.4 | 0 | 0 | 0 | 111.7 | L60 G90 V91 L92 I232 | L60-L94 HydrophobicContact CD1-CD1 4.12Å; G90-L94 WeakPolarHBondContact O-CB 3.41Å; G90-L94 PolarHBondContact O-N 2.92Å; V91-L94 PolarHBondContact O-N 2.96Å; L92-L94 VanDerWaalsContact C-N 3.3Å; L92-L94 PolarHBondContact O-N 3.49Å; L94-I232 HydrophobicContact CD1-CD1 4.01Å |
| 95 | T | 88.1 | Confident | 85.3 | Confident | 83 Ų | 83 | 67.7 Ų | 67.7 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -79.2 | -30.8 | -179.7 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | V91 L92 P99 | V91-T95 HydrophobicContact CG1-CG2 4.15Å; V91-T95 WeakPolarHBondContact O-CG2 3.47Å; V91-T95 PolarHBondContact O-N 3.36Å; V91-T95 PolarHBondContact O-OG1 3.01Å; L92-T95 PolarHBondContact O-N 3.05Å; L92-T95 PolarHBondContact O-OG1 3.34Å; T95-P99 WeakPolarHBondContact O-CD 3.32Å; T95-P99 WeakPolarHBondContact O-CG 3.34Å |
| 96 | C | 85.2 | Confident | 84.1 | Confident | 51 Ų | 51 | 69 Ų | 69 | 35% | 0.345 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -86.9 | -17.3 | -176.5 | -68.7 | 0 | 0 | 0 | 0 | 113.8 | L92 L98 P99 V100 | L92-C96 WeakPolarHBondContact O-CB 3.06Å; L92-C96 PolarHBondContact O-N 3.15Å; L92-C96 PolarHBondContact O-SG 2.95Å; C96-L98 PolarHBondContact O-N 2.98Å; C96-P99 WeakPolarHBondContact O-CD 3.48Å; C96-V100 HydrophobicContact CB-CG2 4.47Å; C96-V100 VanDerWaalsContact O-CB 3.25Å; C96-V100 WeakPolarHBondContact O-CB 3.42Å; C96-V100 WeakPolarHBondContact O-CG2 3.39Å; C96-V100 PolarHBondContact O-N 3.04Å |
| 97 | L | 80.1 | Confident | 83.1 | Confident | 27 Ų | 27 | 70.9 Ų | 70.9 | 14% | 0.141 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.7 | -48.4 | -174.9 | -160.2 | 148.8 | 0 | 0 | 0 | 112.6 | T54 L60 I93 N101 | T54-L97 HydrophobicContact CG2-CD1 3.21Å; T54-L97 HydrophobicContact CG2-CG 3.95Å; L60-L97 HydrophobicContact CD2-CD1 3.54Å; L60-L97 HydrophobicContact CG-CD1 4.08Å; I93-L97 WeakPolarHBondContact O-CB 3.36Å; I93-L97 PolarHBondContact O-N 3.39Å; L97-N101 VanDerWaalsContact O-CB 3.26Å; L97-N101 WeakPolarHBondContact O-CB 3.4Å; L97-N101 PolarHBondContact O-N 3.37Å |
| 98 | L | 77.1 | Confident | 81.8 | Confident | 118 Ų | 118 | 71.2 Ų | 71.2 | 62% | 0.618 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.9 | -51.6 | -179.2 | -136.3 | 89.7 | 0 | 0 | 0 | 112.4 | C96 V100 N101 Q102 | C96-L98 PolarHBondContact O-N 2.98Å; L98-V100 VanDerWaalsContact C-N 3.33Å; L98-V100 PolarHBondContact O-N 2.95Å; L98-N101 PolarHBondContact O-N 2.82Å; L98-Q102 WeakPolarHBondContact O-CG 3.43Å; L98-Q102 PolarHBondContact O-N 3.28Å |
| 99 | P | 79.3 | Confident | 80.9 | Confident | 71 Ų | 71 | 66.3 Ų | 66.3 | 46% | 0.461 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 179.3 | -24.5 | 34.9 | 0 | 0 | 0 | 113 | T95 C96 L103 | T95-P99 WeakPolarHBondContact O-CD 3.32Å; T95-P99 WeakPolarHBondContact O-CG 3.34Å; C96-P99 WeakPolarHBondContact O-CD 3.48Å; P99-L103 VanDerWaalsContact O-CB 3.32Å; P99-L103 WeakPolarHBondContact O-CB 3.36Å; P99-L103 PolarHBondContact O-N 2.83Å |
| 100 | V | 79.8 | Confident | 80 | Confident | 60 Ų | 60 | 67.3 Ų | 67.3 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.2 | -42 | 177.7 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | L55 C96 L98 L103 L104 | L55-V100 HydrophobicContact CD2-CG1 3.79Å; C96-V100 HydrophobicContact CB-CG2 4.47Å; C96-V100 VanDerWaalsContact O-CB 3.25Å; C96-V100 WeakPolarHBondContact O-CB 3.42Å; C96-V100 WeakPolarHBondContact O-CG2 3.39Å; C96-V100 PolarHBondContact O-N 3.04Å; L98-V100 VanDerWaalsContact C-N 3.33Å; L98-V100 PolarHBondContact O-N 2.95Å; V100-L103 PolarHBondContact O-N 2.84Å; V100-L104 HydrophobicContact CG1-CD1 3.89Å; V100-L104 HydrophobicContact CG1-CG 4.32Å; V100-L104 WeakPolarHBondContact O-CB 3.31Å; V100-L104 VanDerWaalsContact O-CG 3.3Å; V100-L104 WeakPolarHBondContact O-CG 3.35Å; V100-L104 PolarHBondContact O-N 2.81Å |
| 101 | N | 75 | Confident | 79.4 | Confident | 37 Ų | 37 | 66.4 Ų | 66.4 | 20% | 0.198 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.7 | -48.9 | 176.6 | -165.2 | -8 | 0 | 0 | 0 | 110.8 | L97 L98 L103 L104 T105 L112 | L97-N101 VanDerWaalsContact O-CB 3.26Å; L97-N101 WeakPolarHBondContact O-CB 3.4Å; L97-N101 PolarHBondContact O-N 3.37Å; L98-N101 PolarHBondContact O-N 2.82Å; N101-L103 VanDerWaalsContact C-N 3.34Å; N101-L103 PolarHBondContact O-N 2.94Å; N101-L104 PolarHBondContact O-N 3.02Å; N101-T105 WeakPolarHBondContact O-CG2 3.33Å; N101-T105 PolarHBondContact O-N 3.24Å; N101-T105 PolarHBondContact O-OG1 2.99Å; N101-L112 WeakPolarHBondContact OD1-CD1 3.19Å |
| 102 | Q | 72.9 | Confident | 78.6 | Confident | 124 Ų | 124 | 62.6 Ų | 62.6 | 58% | 0.579 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -56.5 | -45.9 | 176.1 | -74.8 | 178.5 | -13.9 | 0 | 0 | 112.4 | L98 L104 T105 A106 | L98-Q102 WeakPolarHBondContact O-CG 3.43Å; L98-Q102 PolarHBondContact O-N 3.28Å; Q102-L104 PolarHBondContact O-N 3.17Å; Q102-T105 WeakPolarHBondContact CA-OG1 3.47Å; Q102-T105 PolarHBondContact O-N 3.2Å; Q102-T105 PolarHBondContact O-OG1 2.92Å; Q102-A106 WeakPolarHBondContact O-CB 3.4Å; Q102-A106 PolarHBondContact O-N 3.06Å |
| 103 | L | 75.8 | Confident | 77.8 | Confident | 119 Ų | 119 | 59.3 Ų | 59.3 | 62% | 0.623 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.3 | -46.4 | 177.4 | -178.3 | 69.5 | 0 | 0 | 0 | 111.6 | P99 V100 N101 A106 | P99-L103 VanDerWaalsContact O-CB 3.32Å; P99-L103 WeakPolarHBondContact O-CB 3.36Å; P99-L103 PolarHBondContact O-N 2.83Å; V100-L103 PolarHBondContact O-N 2.84Å; N101-L103 VanDerWaalsContact C-N 3.34Å; N101-L103 PolarHBondContact O-N 2.94Å; L103-A106 PolarHBondContact O-N 3.12Å |
| 104 | L | 72.4 | Confident | 77.4 | Confident | 39 Ų | 39 | 58.5 Ų | 58.5 | 20% | 0.204 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.7 | -32.3 | -178.7 | -70 | 177.3 | 0 | 0 | 0 | 112.7 | L55 V100 N101 Q102 A106 L107 L112 | L55-L104 HydrophobicContact CD1-CD1 3.75Å; L55-L104 HydrophobicContact CD2-CD1 4.08Å; L55-L104 HydrophobicContact CG-CD1 4.48Å; V100-L104 HydrophobicContact CG1-CD1 3.89Å; V100-L104 HydrophobicContact CG1-CG 4.32Å; V100-L104 WeakPolarHBondContact O-CB 3.31Å; V100-L104 VanDerWaalsContact O-CG 3.3Å; V100-L104 WeakPolarHBondContact O-CG 3.35Å; V100-L104 PolarHBondContact O-N 2.81Å; N101-L104 PolarHBondContact O-N 3.02Å; Q102-L104 PolarHBondContact O-N 3.17Å; L104-A106 VanDerWaalsContact C-N 3.32Å; L104-L107 HydrophobicContact CD2-CD1 3.77Å; L104-L107 WeakPolarHBondContact O-CB 3.26Å; L104-L107 PolarHBondContact O-N 3.18Å; L104-L112 HydrophobicContact CB-CD1 3.94Å; L104-L112 HydrophobicContact CD1-CD1 4.13Å |
| 105 | T | 72.8 | Confident | 76.9 | Confident | 82 Ų | 82 | 53.9 Ų | 53.9 | 50% | 0.503 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -74.3 | -22.1 | 174.4 | 51.5 | 0 | 0 | 0 | 0 | 113.4 | N101 Q102 L107 L112 | N101-T105 WeakPolarHBondContact O-CG2 3.33Å; N101-T105 PolarHBondContact O-N 3.24Å; N101-T105 PolarHBondContact O-OG1 2.99Å; Q102-T105 WeakPolarHBondContact CA-OG1 3.47Å; Q102-T105 PolarHBondContact O-N 3.2Å; Q102-T105 PolarHBondContact O-OG1 2.92Å; T105-L107 PolarHBondContact O-N 3.1Å; T105-L112 HydrophobicContact CG2-CD2 4.24Å |
| 106 | A | 70.8 | Confident | 76.2 | Confident | 81 Ų | 81 | 50.3 Ų | 50.3 | 67% | 0.669 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -7.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q102 L103 L104 | Q102-A106 WeakPolarHBondContact O-CB 3.4Å; Q102-A106 PolarHBondContact O-N 3.06Å; L103-A106 PolarHBondContact O-N 3.12Å; L104-A106 VanDerWaalsContact C-N 3.32Å |
| 107 | L | 73.7 | Confident | 76.1 | Confident | 48 Ų | 48 | 50.6 Ų | 50.6 | 25% | 0.251 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -72 | 138.2 | 178.2 | -71.2 | -179.7 | 0 | 0 | 0 | 110.9 | L104 T105 V109 N408 | L104-L107 HydrophobicContact CD2-CD1 3.77Å; L104-L107 WeakPolarHBondContact O-CB 3.26Å; L104-L107 PolarHBondContact O-N 3.18Å; T105-L107 PolarHBondContact O-N 3.1Å; L107-V109 VanDerWaalsContact C-N 3.32Å; L107-V109 PolarHBondContact O-N 2.9Å; L107-N408 WeakPolarHBondContact CB-OD1 3.44Å; L107-N408 HydrophobicContact CD2-CB 4.49Å |
| 108 | P | 67.7 | Low | 75.9 | Confident | 53 Ų | 53 | 49.3 Ų | 49.3 | 34% | 0.344 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -64.1 | -32.3 | -176.6 | 18.4 | -28.8 | 0 | 0 | 0 | 114.2 | N408 Y411 | P108-N408 WeakPolarHBondContact CD-OD1 3.45Å; P108-N408 WeakPolarHBondContact CG-OD1 3.12Å; P108-Y411 HydrophobicContact CB-CD1 3.29Å; P108-Y411 HydrophobicContact CB-CD2 3.96Å; P108-Y411 HydrophobicContact CB-CE1 3.23Å; P108-Y411 HydrophobicContact CB-CE2 3.9Å; P108-Y411 HydrophobicContact CB-CG 3.66Å; P108-Y411 HydrophobicContact CG-CD1 3.14Å; P108-Y411 HydrophobicContact CG-CD2 4.44Å; P108-Y411 HydrophobicContact CG-CE1 3.56Å; P108-Y411 HydrophobicContact CG-CG 3.66Å |
| 109 | V | 76.9 | Confident | 75.7 | Confident | 13 Ų | 13 | 44.5 Ų | 44.5 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -95.5 | 118.2 | 168.5 | 178.6 | 0 | 0 | 0 | 0 | 108.2 | L107 V111 M367 L407 N408 L416 | L107-V109 VanDerWaalsContact C-N 3.32Å; L107-V109 PolarHBondContact O-N 2.9Å; V109-V111 PolarHBondContact O-N 2.63Å; V109-M367 HydrophobicContact CG1-CB 3.97Å; V109-M367 HydrophobicContact CG1-CG 4.38Å; V109-L407 HydrophobicContact CB-CB 4.38Å; V109-L407 HydrophobicContact CG1-CB 4.05Å; V109-L407 HydrophobicContact CG1-CD1 4.25Å; V109-L407 HydrophobicContact CG2-CB 4.19Å; V109-N408 PolarHBondContact N-OD1 2.85Å; V109-N408 PolarHBondContact O-ND2 2.99Å; V109-L416 HydrophobicContact CG2-CD1 4.05Å |
| 110 | D | 78.2 | Confident | 75.7 | Confident | 81 Ų | 81 | 44.5 Ų | 44.5 | 43% | 0.433 | 26% | 0.263 | S | S | . | . | trans | -71 | 87.9 | -176.8 | 179.8 | 19.4 | 0 | 0 | 0 | 112.1 | L112 G113 S114 | D110-L112 PolarHBondContact OD1-N 3.19Å; D110-G113 WeakPolarHBondContact OD1-CA 3.05Å; D110-G113 PolarHBondContact OD1-N 2.47Å; D110-G113 VanDerWaalsContact OD2-CA 3.25Å; D110-G113 WeakPolarHBondContact OD2-CA 3.46Å; D110-S114 VanDerWaalsContact O-CB 3.25Å; D110-S114 WeakPolarHBondContact O-CB 3.03Å; D110-S114 PolarHBondContact O-N 3.37Å; D110-S114 PolarHBondContact O-OG 3.42Å | ||
| 111 | V | 80.2 | Confident | 76 | Confident | 11 Ų | 11 | 42.7 Ų | 42.7 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.1 | -42.6 | 175.9 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | V109 S114 L115 M367 N408 | V109-V111 PolarHBondContact O-N 2.63Å; V111-S114 PolarHBondContact O-N 3.16Å; V111-L115 HydrophobicContact CG1-CD1 4.13Å; V111-L115 HydrophobicContact CG1-CG 4.35Å; V111-L115 VanDerWaalsContact O-CG 3.3Å; V111-L115 WeakPolarHBondContact O-CG 3.48Å; V111-L115 PolarHBondContact O-N 3.16Å; V111-M367 HydrophobicContact CB-CE 4.31Å; V111-M367 HydrophobicContact CG1-CE 3.8Å; V111-M367 HydrophobicContact CG1-SD 4.5Å; V111-M367 HydrophobicContact CG2-SD 4.49Å; V111-N408 WeakPolarHBondContact CG2-ND2 3.32Å |
| 112 | L | 75.9 | Confident | 76.2 | Confident | 13 Ų | 13 | 40.9 Ų | 40.9 | 7% | 0.068 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -74.4 | -43.4 | -168.1 | -165.5 | 135 | 0 | 0 | 0 | 112.1 | L55 K56 N101 L104 T105 D110 S114 L115 | L55-L112 HydrophobicContact CB-CD1 3.94Å; L55-L112 HydrophobicContact CB-CG 4.42Å; L55-L112 WeakPolarHBondContact O-CD1 3.49Å; L55-L112 WeakPolarHBondContact O-CD2 3.38Å; K56-L112 WeakPolarHBondContact CD-O 3.37Å; N101-L112 WeakPolarHBondContact OD1-CD1 3.19Å; L104-L112 HydrophobicContact CB-CD1 3.94Å; L104-L112 HydrophobicContact CD1-CD1 4.13Å; T105-L112 HydrophobicContact CG2-CD2 4.24Å; D110-L112 PolarHBondContact OD1-N 3.19Å; L112-S114 VanDerWaalsContact C-N 3.29Å; L112-S114 PolarHBondContact O-N 2.9Å; L112-L115 PolarHBondContact O-N 3.05Å |
| 113 | G | 74.4 | Confident | 76.5 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 11% | 0.113 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.2 | -35.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D110 G116 | D110-G113 WeakPolarHBondContact OD1-CA 3.05Å; D110-G113 PolarHBondContact OD1-N 2.47Å; D110-G113 VanDerWaalsContact OD2-CA 3.25Å; D110-G113 WeakPolarHBondContact OD2-CA 3.46Å; G113-G116 PolarHBondContact O-N 3.49Å |
| 114 | S | 80.8 | Confident | 77 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.6 | -35.6 | 177.1 | -61.3 | 0 | 0 | 0 | 0 | 113.7 | D110 V111 L112 G116 E117 A363 M367 | D110-S114 VanDerWaalsContact O-CB 3.25Å; D110-S114 WeakPolarHBondContact O-CB 3.03Å; D110-S114 PolarHBondContact O-N 3.37Å; D110-S114 PolarHBondContact O-OG 3.42Å; V111-S114 PolarHBondContact O-N 3.16Å; L112-S114 VanDerWaalsContact C-N 3.29Å; L112-S114 PolarHBondContact O-N 2.9Å; S114-G116 PolarHBondContact O-N 2.76Å; S114-G116 VanDerWaalsContact O-N 3.08Å; S114-E117 WeakPolarHBondContact O-CB 3.23Å; S114-E117 WeakPolarHBondContact O-CG 3.5Å; S114-E117 PolarHBondContact O-N 2.83Å; S114-A363 WeakPolarHBondContact O-CB 3.32Å; S114-M367 VanDerWaalsContact CB-CG 3.44Å; S114-M367 WeakPolarHBondContact OG-CG 3.39Å |
| 115 | L | 78 | Confident | 77.7 | Confident | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.1 | -16.9 | 173.4 | -74.1 | 172.5 | 0 | 0 | 0 | 113 | V111 L112 E117 L118 V400 M401 | V111-L115 HydrophobicContact CG1-CD1 4.13Å; V111-L115 HydrophobicContact CG1-CG 4.35Å; V111-L115 VanDerWaalsContact O-CG 3.3Å; V111-L115 WeakPolarHBondContact O-CG 3.48Å; V111-L115 PolarHBondContact O-N 3.16Å; L112-L115 PolarHBondContact O-N 3.05Å; L115-E117 PolarHBondContact O-N 3Å; L115-L118 HydrophobicContact CB-CD1 4.26Å; L115-L118 HydrophobicContact CD2-CD1 3.52Å; L115-L118 HydrophobicContact CG-CD1 4.49Å; L115-L118 VanDerWaalsContact O-CB 3.3Å; L115-L118 WeakPolarHBondContact O-CB 3.43Å; L115-L118 WeakPolarHBondContact O-CG 3.3Å; L115-L118 PolarHBondContact O-N 2.89Å; L115-L118 VanDerWaalsContact O-N 3.11Å; L115-V400 HydrophobicContact CD2-CG1 3.96Å; L115-M401 HydrophobicContact CD2-CG 4.45Å |
| 116 | G | 72.9 | Confident | 78.1 | Confident | 9 Ų | 9 | 27.5 Ų | 27.5 | 9% | 0.093 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -57 | -27.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G113 S114 L118 S119 | G113-G116 PolarHBondContact O-N 3.49Å; S114-G116 PolarHBondContact O-N 2.76Å; S114-G116 VanDerWaalsContact O-N 3.08Å; G116-L118 PolarHBondContact O-N 2.58Å; G116-S119 WeakPolarHBondContact O-CB 3.32Å; G116-S119 PolarHBondContact O-N 2.77Å; G116-S119 VanDerWaalsContact O-N 3.13Å; G116-S119 PolarHBondContact O-OG 2.69Å |
| 117 | E | 82.5 | Confident | 78.9 | Confident | 57 Ų | 57 | 23.7 Ų | 23.7 | 27% | 0.266 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -67.5 | -15 | 178 | -60.2 | -57.1 | 148.8 | 0 | 0 | 113.5 | S114 L115 S119 P121 G359 F362 A363 K366 | S114-E117 WeakPolarHBondContact O-CB 3.23Å; S114-E117 WeakPolarHBondContact O-CG 3.5Å; S114-E117 PolarHBondContact O-N 2.83Å; L115-E117 PolarHBondContact O-N 3Å; E117-S119 PolarHBondContact O-N 3.01Å; E117-P121 WeakPolarHBondContact O-CD 3.48Å; E117-G359 WeakPolarHBondContact O-CA 3.46Å; E117-F362 HydrophobicContact CB-CB 3.79Å; E117-F362 HydrophobicContact CG-CB 4.26Å; E117-A363 HydrophobicContact CB-CB 4.23Å; E117-K366 HydrophobicContact CG-CD 3.7Å; E117-K366 WeakPolarHBondContact OE1-CD 3.45Å; E117-K366 IonicContact OE1-NZ 3.89Å; E117-K366 PolarHBondContact OE1-NZ 3.43Å |
| 118 | L | 77.7 | Confident | 79.7 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -65.6 | -28.7 | 172.9 | -69.6 | 163.7 | 0 | 0 | 0 | 112.6 | F53 L115 G116 V122 L356 S360 V397 | F53-L118 HydrophobicContact CE1-CB 4.31Å; L115-L118 HydrophobicContact CB-CD1 4.26Å; L115-L118 HydrophobicContact CD2-CD1 3.52Å; L115-L118 HydrophobicContact CG-CD1 4.49Å; L115-L118 VanDerWaalsContact O-CB 3.3Å; L115-L118 WeakPolarHBondContact O-CB 3.43Å; L115-L118 WeakPolarHBondContact O-CG 3.3Å; L115-L118 PolarHBondContact O-N 2.89Å; L115-L118 VanDerWaalsContact O-N 3.11Å; G116-L118 PolarHBondContact O-N 2.58Å; L118-V122 WeakPolarHBondContact O-CB 3.37Å; L118-V122 WeakPolarHBondContact O-CG2 3.28Å; L118-V122 PolarHBondContact O-N 3.38Å; L118-L356 HydrophobicContact CD2-CD2 4.41Å; L118-S360 WeakPolarHBondContact CD2-OG 3.48Å; L118-V397 HydrophobicContact CD1-CG1 4.11Å; L118-V397 HydrophobicContact CD2-CG2 4.09Å |
| 119 | S | 72.8 | Confident | 80.7 | Confident | 16 Ų | 16 | 21.2 Ų | 21.2 | 11% | 0.112 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.8 | -57.6 | -168.9 | 63.7 | 0 | 0 | 0 | 0 | 113.3 | G116 E117 V122 V123 F241 | G116-S119 WeakPolarHBondContact O-CB 3.32Å; G116-S119 PolarHBondContact O-N 2.77Å; G116-S119 VanDerWaalsContact O-N 3.13Å; G116-S119 PolarHBondContact O-OG 2.69Å; E117-S119 PolarHBondContact O-N 3.01Å; S119-V122 PolarHBondContact O-N 3.19Å; S119-V123 WeakPolarHBondContact O-CG2 3.37Å; S119-V123 PolarHBondContact O-N 2.98Å; S119-F241 VanDerWaalsContact CB-CE1 3.5Å |
| 120 | S | 78.6 | Confident | 81.4 | Confident | 71 Ų | 71 | 20.6 Ų | 20.6 | 50% | 0.497 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -58.9 | -45.7 | -170.5 | -49.8 | 0 | 0 | 0 | 0 | 112.5 | S124 | S120-S124 VanDerWaalsContact O-CB 3.31Å; S120-S124 WeakPolarHBondContact O-CB 3.37Å; S120-S124 PolarHBondContact O-N 3.07Å; S120-S124 VanDerWaalsContact O-N 3.16Å; S120-S124 PolarHBondContact O-OG 3.16Å |
| 121 | P | 86.3 | Confident | 82.1 | Confident | 22 Ų | 22 | 17.5 Ų | 17.5 | 14% | 0.143 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.7 | -40.4 | 174.9 | -22.5 | 36.1 | 0 | 0 | 0 | 112.5 | E117 A125 A355 V358 F362 | E117-P121 WeakPolarHBondContact O-CD 3.48Å; P121-A125 WeakPolarHBondContact O-CB 3.47Å; P121-A125 PolarHBondContact O-N 2.83Å; P121-A355 HydrophobicContact CB-CB 4.38Å; P121-V358 HydrophobicContact CB-CG1 4.39Å; P121-V358 HydrophobicContact CG-CG1 4.26Å; P121-F362 HydrophobicContact CG-CD2 4.36Å; P121-F362 HydrophobicContact CG-CE2 4.46Å |
| 122 | V | 79.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.4 | -52.5 | -179.4 | 167 | 0 | 0 | 0 | 0 | 111.3 | F53 L118 S119 S124 F126 M352 A355 L356 | F53-V122 HydrophobicContact CE2-CG1 4.4Å; F53-V122 HydrophobicContact CZ-CB 4.11Å; F53-V122 HydrophobicContact CZ-CG1 3.86Å; F53-V122 HydrophobicContact CZ-CG2 4.45Å; L118-V122 WeakPolarHBondContact O-CB 3.37Å; L118-V122 WeakPolarHBondContact O-CG2 3.28Å; L118-V122 PolarHBondContact O-N 3.38Å; S119-V122 PolarHBondContact O-N 3.19Å; V122-S124 VanDerWaalsContact C-N 3.34Å; V122-S124 PolarHBondContact O-N 3.05Å; V122-F126 WeakPolarHBondContact O-CB 3.48Å; V122-F126 PolarHBondContact O-N 2.88Å; V122-M352 HydrophobicContact CG1-CE 3.76Å; V122-M352 HydrophobicContact CG1-SD 3.79Å; V122-M352 HydrophobicContact CG2-CE 4.26Å; V122-A355 HydrophobicContact CB-CB 4.42Å; V122-A355 HydrophobicContact CG2-CB 3.94Å; V122-L356 HydrophobicContact CG2-CD2 3.54Å; V122-L356 HydrophobicContact CG2-CG 4.07Å |
| 123 | V | 78.1 | Confident | 83.4 | Confident | 17 Ų | 17 | 17.8 Ų | 17.8 | 10% | 0.103 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64 | -42.7 | -177.2 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | S119 A127 E167 E237 F241 | S119-V123 WeakPolarHBondContact O-CG2 3.37Å; S119-V123 PolarHBondContact O-N 2.98Å; V123-A127 PolarHBondContact O-N 3.23Å; V123-E167 HydrophobicContact CG1-CB 4.2Å; V123-E167 HydrophobicContact CG1-CG 4.03Å; V123-E237 WeakPolarHBondContact CG2-O 3.49Å; V123-F241 HydrophobicContact CG2-CD2 4.29Å |
| 124 | S | 85.5 | Confident | 84.4 | Confident | 43 Ų | 43 | 17.2 Ų | 17.2 | 30% | 0.301 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -68.9 | -44.6 | -179.5 | -53.6 | 0 | 0 | 0 | 0 | 112.9 | S120 V122 | S120-S124 VanDerWaalsContact O-CB 3.31Å; S120-S124 WeakPolarHBondContact O-CB 3.37Å; S120-S124 PolarHBondContact O-N 3.07Å; S120-S124 VanDerWaalsContact O-N 3.16Å; S120-S124 PolarHBondContact O-OG 3.16Å; V122-S124 VanDerWaalsContact C-N 3.34Å; V122-S124 PolarHBondContact O-N 3.05Å |
| 125 | A | 87.7 | Confident | 85 | Confident | 19 Ų | 19 | 22 Ų | 22 | 16% | 0.157 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71.8 | -40.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P121 A127 L128 L351 A355 | P121-A125 WeakPolarHBondContact O-CB 3.47Å; P121-A125 PolarHBondContact O-N 2.83Å; A125-A127 PolarHBondContact O-N 2.87Å; A125-L128 WeakPolarHBondContact O-CB 3.42Å; A125-L128 PolarHBondContact O-N 3.38Å; A125-L128 VanDerWaalsContact O-N 3.08Å; A125-L351 WeakPolarHBondContact O-CD1 3.47Å; A125-A355 HydrophobicContact CB-CB 3.72Å |
| 126 | F | 81.8 | Confident | 85.7 | Confident | 3 Ų | 3 | 26.3 Ų | 26.3 | 1% | 0.013 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.7 | -37.5 | 178 | -176.6 | -90.8 | 0 | 0 | 0 | 111.3 | V122 L128 F129 I171 E237 R270 F274 M348 M352 | V122-F126 WeakPolarHBondContact O-CB 3.48Å; V122-F126 PolarHBondContact O-N 2.88Å; F126-L128 PolarHBondContact O-N 2.81Å; F126-F129 HydrophobicContact CD1-CD1 4.35Å; F126-F129 HydrophobicContact CE1-CD1 4.04Å; F126-F129 HydrophobicContact CE1-CE1 4.08Å; F126-F129 HydrophobicContact CZ-CD1 4.26Å; F126-F129 HydrophobicContact CZ-CE1 4.4Å; F126-F129 VanDerWaalsContact O-CD1 3.24Å; F126-F129 WeakPolarHBondContact O-CD1 3.47Å; F126-F129 PolarHBondContact O-N 3.39Å; F126-F129 VanDerWaalsContact O-N 3.11Å; F126-I171 HydrophobicContact CD1-CD1 4.05Å; F126-I171 HydrophobicContact CE1-CD1 4.14Å; F126-E237 WeakPolarHBondContact CE2-OE1 3.38Å; F126-E237 VanDerWaalsContact CZ-OE1 3.26Å; F126-E237 WeakPolarHBondContact CZ-OE1 3.35Å; F126-R270 VanDerWaalsContact CZ-NH1 3.33Å; F126-F274 HydrophobicContact CE1-CE2 4.31Å; F126-F274 HydrophobicContact CE1-CZ 4.36Å; F126-F274 HydrophobicContact CZ-CE2 4.08Å; F126-F274 AromaticContact CZ-CZ 3.73Å; F126-F274 HydrophobicContact CZ-CZ 3.73Å; F126-M348 HydrophobicContact CE2-CB 4.49Å; F126-M348 HydrophobicContact CE2-CE 3.61Å; F126-M348 HydrophobicContact CE2-CG 4.05Å; F126-M348 HydrophobicContact CZ-CE 3.83Å; F126-M352 HydrophobicContact CD2-CG 4.41Å; F126-M352 HydrophobicContact CD2-SD 4.02Å |
| 127 | A | 86.8 | Confident | 86.5 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -21 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V123 A125 E167 E170 I171 | V123-A127 PolarHBondContact O-N 3.23Å; A125-A127 PolarHBondContact O-N 2.87Å; A127-E167 HydrophobicContact CB-CB 3.78Å; A127-E167 HydrophobicContact CB-CG 4.11Å; A127-E170 HydrophobicContact CB-CB 4.19Å; A127-I171 HydrophobicContact CB-CD1 4.46Å; A127-I171 HydrophobicContact CB-CG1 4.05Å |
| 128 | L | 91.5 | Very high | 87 | Confident | 49 Ų | 49 | 26.9 Ų | 26.9 | 26% | 0.257 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -0.2 | -176 | -55.3 | 177.2 | 0 | 0 | 0 | 113.9 | A125 F126 P130 L131 V150 L351 | A125-L128 WeakPolarHBondContact O-CB 3.42Å; A125-L128 PolarHBondContact O-N 3.38Å; A125-L128 VanDerWaalsContact O-N 3.08Å; F126-L128 PolarHBondContact O-N 2.81Å; L128-P130 VanDerWaalsContact C-N 3.3Å; L128-L131 HydrophobicContact CB-CD1 4.49Å; L128-L131 HydrophobicContact CD2-CD1 3.99Å; L128-L131 WeakPolarHBondContact O-CB 3.46Å; L128-L131 PolarHBondContact O-N 3.2Å; L128-V150 HydrophobicContact CD2-CG1 4.43Å; L128-L351 HydrophobicContact CB-CD1 4.33Å; L128-L351 HydrophobicContact CB-CD2 4.45Å |
| 129 | F | 88.3 | Confident | 87.7 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.1 | -35.1 | -177.3 | 85.5 | -102.2 | 0 | 0 | 0 | 114.5 | F126 L131 V132 A133 I171 M175 F274 I344 A347 M348 L351 | F126-F129 HydrophobicContact CD1-CD1 4.35Å; F126-F129 HydrophobicContact CE1-CD1 4.04Å; F126-F129 HydrophobicContact CE1-CE1 4.08Å; F126-F129 HydrophobicContact CZ-CD1 4.26Å; F126-F129 HydrophobicContact CZ-CE1 4.4Å; F126-F129 VanDerWaalsContact O-CD1 3.24Å; F126-F129 WeakPolarHBondContact O-CD1 3.47Å; F126-F129 PolarHBondContact O-N 3.39Å; F126-F129 VanDerWaalsContact O-N 3.11Å; F129-L131 VanDerWaalsContact C-N 3.25Å; F129-L131 PolarHBondContact O-N 3Å; F129-V132 PolarHBondContact O-N 3.22Å; F129-A133 WeakPolarHBondContact O-CB 3.5Å; F129-A133 PolarHBondContact O-N 3Å; F129-I171 HydrophobicContact CE1-CG1 4.37Å; F129-I171 HydrophobicContact CE1-CG2 3.94Å; F129-I171 HydrophobicContact CZ-CG2 4.26Å; F129-M175 HydrophobicContact CE2-CE 3.76Å; F129-M175 HydrophobicContact CZ-CE 4.02Å; F129-F274 HydrophobicContact CE1-CE2 4.07Å; F129-F274 HydrophobicContact CE1-CZ 4.02Å; F129-F274 HydrophobicContact CZ-CE2 4.16Å; F129-F274 HydrophobicContact CZ-CZ 4.06Å; F129-I344 HydrophobicContact CD2-CB 4.49Å; F129-I344 HydrophobicContact CD2-CG1 4.46Å; F129-I344 HydrophobicContact CD2-CG2 3.79Å; F129-I344 HydrophobicContact CE2-CB 4.42Å; F129-I344 HydrophobicContact CE2-CG1 4.2Å; F129-I344 HydrophobicContact CE2-CG2 3.56Å; F129-I344 HydrophobicContact CZ-CG2 4.5Å; F129-A347 HydrophobicContact CB-CB 4.2Å; F129-A347 WeakPolarHBondContact O-CB 3.4Å; F129-M348 HydrophobicContact CB-CG 3.98Å; F129-M348 HydrophobicContact CD1-CG 4.27Å; F129-M348 HydrophobicContact CD2-CG 4.23Å; F129-M348 HydrophobicContact CG-CG 3.89Å; F129-L351 HydrophobicContact CB-CD1 3.63Å |
| 130 | P | 91.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63 | -33 | 177.8 | -22.9 | 34.8 | 0 | 0 | 0 | 112.6 | L128 A133 I134 G174 | L128-P130 VanDerWaalsContact C-N 3.3Å; P130-A133 PolarHBondContact O-N 3.32Å; P130-I134 WeakPolarHBondContact O-CD1 3.39Å; P130-I134 WeakPolarHBondContact O-CG1 3.44Å; P130-I134 PolarHBondContact O-N 2.78Å; P130-G174 WeakPolarHBondContact CB-O 3.45Å |
| 131 | L | 93.7 | Very high | 89.5 | Confident | 16 Ų | 16 | 38.2 Ų | 38.2 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.3 | -42.8 | 178.8 | -59.8 | -179.5 | 0 | 0 | 0 | 111.8 | L128 F129 I134 F135 S143 A146 A147 V150 | L128-L131 HydrophobicContact CB-CD1 4.49Å; L128-L131 HydrophobicContact CD2-CD1 3.99Å; L128-L131 WeakPolarHBondContact O-CB 3.46Å; L128-L131 PolarHBondContact O-N 3.2Å; F129-L131 VanDerWaalsContact C-N 3.25Å; F129-L131 PolarHBondContact O-N 3Å; L131-I134 PolarHBondContact O-N 2.96Å; L131-F135 PolarHBondContact O-N 3.28Å; L131-S143 PolarHBondContact O-OG 2.98Å; L131-A146 VanDerWaalsContact CD2-C 3.4Å; L131-A146 HydrophobicContact CD2-CB 3.58Å; L131-A147 HydrophobicContact CD1-CB 4.02Å; L131-A147 HydrophobicContact CD2-CB 4.34Å; L131-V150 HydrophobicContact CD1-CB 4.27Å; L131-V150 HydrophobicContact CD1-CG1 4.23Å; L131-V150 HydrophobicContact CD2-CB 4.14Å; L131-V150 HydrophobicContact CD2-CG2 3.8Å; L131-V150 HydrophobicContact CG-CG2 4.48Å |
| 132 | V | 92.6 | Very high | 89.9 | Confident | 29 Ų | 29 | 40.6 Ų | 40.6 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.3 | -38.2 | 176.6 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | F129 F135 Y136 A347 M350 L351 | F129-V132 PolarHBondContact O-N 3.22Å; V132-F135 WeakPolarHBondContact O-CB 3.35Å; V132-F135 PolarHBondContact O-N 3.49Å; V132-F135 VanDerWaalsContact O-N 3.16Å; V132-Y136 HydrophobicContact CG1-CD2 4.12Å; V132-Y136 HydrophobicContact CG1-CE1 4.32Å; V132-Y136 HydrophobicContact CG1-CE2 3.62Å; V132-Y136 PolarHBondContact O-N 2.87Å; V132-A347 HydrophobicContact CB-CB 3.68Å; V132-A347 HydrophobicContact CG1-CB 3.69Å; V132-M350 HydrophobicContact CG1-SD 4.36Å; V132-L351 HydrophobicContact CG2-CD1 4.05Å; V132-L351 HydrophobicContact CG2-CD2 4.28Å; V132-L351 HydrophobicContact CG2-CG 4.27Å |
| 133 | A | 90.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F129 P130 F135 Y136 Q137 L178 N343 I344 A347 | F129-A133 WeakPolarHBondContact O-CB 3.5Å; F129-A133 PolarHBondContact O-N 3Å; P130-A133 PolarHBondContact O-N 3.32Å; A133-F135 VanDerWaalsContact C-N 3.29Å; A133-F135 PolarHBondContact O-N 2.94Å; A133-Y136 PolarHBondContact O-N 2.91Å; A133-Q137 WeakPolarHBondContact O-CB 3.42Å; A133-Q137 PolarHBondContact O-N 2.93Å; A133-L178 HydrophobicContact CB-CD1 3.59Å; A133-N343 HydrophobicContact CB-CB 4.36Å; A133-I344 HydrophobicContact CB-CG1 3.85Å; A133-A347 HydrophobicContact CB-CB 4.23Å |
| 134 | I | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.9 | -40.4 | 172.3 | -67.9 | 162.7 | 0 | 0 | 0 | 110.5 | P130 L131 Q137 F138 G139 Q142 A146 M177 L178 I181 | P130-I134 WeakPolarHBondContact O-CD1 3.39Å; P130-I134 WeakPolarHBondContact O-CG1 3.44Å; P130-I134 PolarHBondContact O-N 2.78Å; L131-I134 PolarHBondContact O-N 2.96Å; I134-Q137 PolarHBondContact O-N 2.74Å; I134-F138 HydrophobicContact CG2-CB 4.48Å; I134-F138 HydrophobicContact CG2-CD2 4.28Å; I134-F138 WeakPolarHBondContact O-CA 3.23Å; I134-F138 PolarHBondContact O-N 2.91Å; I134-G139 PolarHBondContact O-N 3.29Å; I134-Q142 HydrophobicContact CG2-CB 3.8Å; I134-A146 HydrophobicContact CD1-CB 3.61Å; I134-M177 HydrophobicContact CD1-CB 4.2Å; I134-L178 HydrophobicContact CD1-CB 3.96Å; I134-L178 HydrophobicContact CG1-CB 3.73Å; I134-L178 HydrophobicContact CG1-CD1 4.18Å; I134-L178 HydrophobicContact CG1-CG 4.01Å; I134-I181 HydrophobicContact CD1-CD1 4.06Å; I134-I181 HydrophobicContact CG1-CD1 4.35Å; I134-I181 HydrophobicContact CG2-CD1 3.95Å |
| 135 | F | 94.4 | Very high | 91.8 | Very high | 103 Ų | 103 | 47.6 Ų | 47.6 | 45% | 0.452 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.9 | -49.1 | 177.4 | -175.4 | -86.6 | 0 | 0 | 0 | 111.7 | L131 V132 A133 Q137 G139 W140 | L131-F135 PolarHBondContact O-N 3.28Å; V132-F135 WeakPolarHBondContact O-CB 3.35Å; V132-F135 PolarHBondContact O-N 3.49Å; V132-F135 VanDerWaalsContact O-N 3.16Å; A133-F135 VanDerWaalsContact C-N 3.29Å; A133-F135 PolarHBondContact O-N 2.94Å; F135-Q137 VanDerWaalsContact C-N 3.31Å; F135-Q137 PolarHBondContact O-N 3.24Å; F135-G139 WeakPolarHBondContact O-CA 3.24Å; F135-G139 PolarHBondContact O-N 2.92Å; F135-W140 HydrophobicContact CD2-CB 3.97Å; F135-W140 HydrophobicContact CE2-CB 3.47Å; F135-W140 VanDerWaalsContact CE2-CB 3.47Å; F135-W140 HydrophobicContact CZ-CB 4.38Å |
| 136 | Y | 91.2 | Very high | 92.2 | Very high | 97 Ų | 97 | 46.7 Ų | 46.7 | 38% | 0.38 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.1 | -35.4 | -179.7 | -68.9 | -27.6 | 0 | 0 | 0 | 113 | V132 A133 N343 N346 A347 M350 | V132-Y136 HydrophobicContact CG1-CD2 4.12Å; V132-Y136 HydrophobicContact CG1-CE1 4.32Å; V132-Y136 HydrophobicContact CG1-CE2 3.62Å; V132-Y136 PolarHBondContact O-N 2.87Å; A133-Y136 PolarHBondContact O-N 2.91Å; Y136-N343 WeakPolarHBondContact CB-OD1 3.46Å; Y136-N346 HydrophobicContact CD2-CB 4.31Å; Y136-N346 HydrophobicContact CE2-CB 3.98Å; Y136-A347 HydrophobicContact CE2-CB 4.48Å; Y136-M350 PolarHBondContact OH-SD 3.46Å |
| 137 | Q | 91.4 | Very high | 92.9 | Very high | 42 Ų | 42 | 47.5 Ų | 47.5 | 20% | 0.196 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -90.9 | -43.7 | -175.1 | -166.5 | 169.3 | -5.2 | 0 | 0 | 114.4 | A133 I134 F135 S336 N343 | A133-Q137 WeakPolarHBondContact O-CB 3.42Å; A133-Q137 PolarHBondContact O-N 2.93Å; I134-Q137 PolarHBondContact O-N 2.74Å; F135-Q137 VanDerWaalsContact C-N 3.31Å; F135-Q137 PolarHBondContact O-N 3.24Å; Q137-S336 PolarHBondContact NE2-O 3.32Å; Q137-N343 WeakPolarHBondContact CB-ND2 3.39Å |
| 138 | F | 93.2 | Very high | 93.3 | Very high | 36 Ų | 36 | 51.5 Ų | 51.5 | 16% | 0.158 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -117.3 | 2.7 | -169.4 | -53.6 | -69.5 | 0 | 0 | 0 | 112.9 | I134 Q142 I181 A182 H185 | I134-F138 HydrophobicContact CG2-CB 4.48Å; I134-F138 HydrophobicContact CG2-CD2 4.28Å; I134-F138 WeakPolarHBondContact O-CA 3.23Å; I134-F138 PolarHBondContact O-N 2.91Å; F138-Q142 HydrophobicContact CB-CB 4.07Å; F138-Q142 HydrophobicContact CB-CG 4.08Å; F138-I181 HydrophobicContact CB-CG2 4.11Å; F138-I181 HydrophobicContact CD1-CG2 3.97Å; F138-I181 HydrophobicContact CD2-CB 4.43Å; F138-I181 HydrophobicContact CD2-CG2 3.56Å; F138-I181 HydrophobicContact CE1-CG2 4.29Å; F138-I181 HydrophobicContact CE2-CB 4.49Å; F138-I181 HydrophobicContact CE2-CG2 3.92Å; F138-I181 HydrophobicContact CG-CG2 3.6Å; F138-I181 HydrophobicContact CZ-CG2 4.27Å; F138-A182 HydrophobicContact CE2-CB 4.2Å; F138-A182 VanDerWaalsContact CZ-CA 3.49Å; F138-A182 HydrophobicContact CZ-CB 3.64Å; F138-H185 HydrophobicContact CD1-CB 4.48Å; F138-H185 HydrophobicContact CE1-CB 3.96Å; F138-H185 AromaticContact CE1-CG 3.97Å |
| 139 | G | 92.2 | Very high | 93.6 | Very high | 30 Ų | 30 | 51.9 Ų | 51.9 | 31% | 0.309 | 26% | 0.258 | S | S | . | . | trans | 79.5 | 178.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | I134 F135 K141 S143 | I134-G139 PolarHBondContact O-N 3.29Å; F135-G139 WeakPolarHBondContact O-CA 3.24Å; F135-G139 PolarHBondContact O-N 2.92Å; G139-K141 PolarHBondContact O-N 3.44Å; G139-S143 PolarHBondContact O-N 2.88Å | ||
| 140 | W | 94.3 | Very high | 93.9 | Very high | 155 Ų | 155 | 51.9 Ų | 51.9 | 59% | 0.587 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -65.7 | -31.9 | -167.4 | 74.1 | -92.7 | 0 | 0 | 0 | 114.8 | F135 S143 L144 | F135-W140 HydrophobicContact CD2-CB 3.97Å; F135-W140 HydrophobicContact CE2-CB 3.47Å; F135-W140 VanDerWaalsContact CE2-CB 3.47Å; F135-W140 HydrophobicContact CZ-CB 4.38Å; W140-S143 PolarHBondContact O-N 3Å; W140-L144 HydrophobicContact CE3-CD2 4.42Å; W140-L144 HydrophobicContact CZ3-CD2 4.02Å; W140-L144 WeakPolarHBondContact O-CB 3.39Å; W140-L144 PolarHBondContact O-N 3.01Å |
| 141 | K | 94.9 | Very high | 94 | Very high | 139 Ų | 139 | 56 Ų | 56 | 60% | 0.604 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -65.1 | -47.7 | -176.6 | -67 | -175.3 | -178.8 | 179.6 | 0 | 111.8 | G139 L144 I145 | G139-K141 PolarHBondContact O-N 3.44Å; K141-L144 PolarHBondContact O-N 3.39Å; K141-I145 WeakPolarHBondContact O-CG1 3.46Å; K141-I145 PolarHBondContact O-N 3.42Å |
| 142 | Q | 93.7 | Very high | 94 | Very high | 72 Ų | 72 | 60.6 Ų | 60.6 | 34% | 0.336 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.3 | -39.4 | 178.5 | -65.8 | -63.8 | -9.9 | 0 | 0 | 111.1 | I134 F138 L144 I145 A146 I181 | I134-Q142 HydrophobicContact CG2-CB 3.8Å; F138-Q142 HydrophobicContact CB-CB 4.07Å; F138-Q142 HydrophobicContact CB-CG 4.08Å; Q142-L144 VanDerWaalsContact C-N 3.33Å; Q142-L144 PolarHBondContact O-N 3.48Å; Q142-I145 PolarHBondContact O-N 3.26Å; Q142-A146 WeakPolarHBondContact O-CB 3.41Å; Q142-A146 PolarHBondContact O-N 3.35Å; Q142-I181 HydrophobicContact CB-CD1 4.13Å; Q142-I181 HydrophobicContact CG-CG2 4.29Å |
| 143 | S | 93.2 | Very high | 94 | Very high | 15 Ų | 15 | 60.8 Ų | 60.8 | 11% | 0.105 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 176 | -176 | 0 | 0 | 0 | 0 | 112 | L131 G139 W140 A146 A147 | L131-S143 PolarHBondContact O-OG 2.98Å; G139-S143 PolarHBondContact O-N 2.88Å; W140-S143 PolarHBondContact O-N 3Å; S143-A146 PolarHBondContact O-N 2.99Å; S143-A147 VanDerWaalsContact O-CB 3.29Å; S143-A147 WeakPolarHBondContact O-CB 3.43Å; S143-A147 PolarHBondContact O-N 3.16Å |
| 144 | L | 95.2 | Very high | 94.1 | Very high | 97 Ų | 97 | 64 Ų | 64 | 51% | 0.508 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 177.6 | -177 | 65 | 0 | 0 | 0 | 112 | W140 K141 Q142 A147 V148 | W140-L144 HydrophobicContact CE3-CD2 4.42Å; W140-L144 HydrophobicContact CZ3-CD2 4.02Å; W140-L144 WeakPolarHBondContact O-CB 3.39Å; W140-L144 PolarHBondContact O-N 3.01Å; K141-L144 PolarHBondContact O-N 3.39Å; Q142-L144 VanDerWaalsContact C-N 3.33Å; Q142-L144 PolarHBondContact O-N 3.48Å; L144-A147 PolarHBondContact O-N 3.18Å; L144-V148 WeakPolarHBondContact O-CG2 3.45Å; L144-V148 PolarHBondContact O-N 3.21Å |
| 145 | I | 95.4 | Very high | 94 | Very high | 95 Ų | 95 | 68.3 Ų | 68.3 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 176.1 | -64.8 | 167.3 | 0 | 0 | 0 | 109.9 | K141 Q142 A147 V148 V149 | K141-I145 WeakPolarHBondContact O-CG1 3.46Å; K141-I145 PolarHBondContact O-N 3.42Å; Q142-I145 PolarHBondContact O-N 3.26Å; I145-A147 VanDerWaalsContact C-N 3.3Å; I145-A147 PolarHBondContact O-N 3.09Å; I145-V148 PolarHBondContact O-N 2.93Å; I145-V149 WeakPolarHBondContact O-CG2 3.41Å; I145-V149 PolarHBondContact O-N 3.17Å; I145-V149 VanDerWaalsContact O-N 3.12Å |
| 146 | A | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.8 | -40 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L131 I134 Q142 S143 V148 V149 V150 M177 | L131-A146 VanDerWaalsContact CD2-C 3.4Å; L131-A146 HydrophobicContact CD2-CB 3.58Å; I134-A146 HydrophobicContact CD1-CB 3.61Å; Q142-A146 WeakPolarHBondContact O-CB 3.41Å; Q142-A146 PolarHBondContact O-N 3.35Å; S143-A146 PolarHBondContact O-N 2.99Å; A146-V148 PolarHBondContact O-N 3.42Å; A146-V149 PolarHBondContact O-N 2.83Å; A146-V150 WeakPolarHBondContact O-CB 3.42Å; A146-V150 VanDerWaalsContact O-CG2 3.31Å; A146-V150 WeakPolarHBondContact O-CG2 3.34Å; A146-V150 PolarHBondContact O-N 3.48Å; A146-M177 HydrophobicContact CB-CB 4.31Å; A146-M177 HydrophobicContact CB-CE 4.32Å; A146-M177 HydrophobicContact CB-SD 4.31Å |
| 147 | A | 95.6 | Very high | 93.9 | Very high | 21 Ų | 21 | 62.1 Ų | 62.1 | 17% | 0.174 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | L131 S143 L144 I145 V149 V150 L151 | L131-A147 HydrophobicContact CD1-CB 4.02Å; L131-A147 HydrophobicContact CD2-CB 4.34Å; S143-A147 VanDerWaalsContact O-CB 3.29Å; S143-A147 WeakPolarHBondContact O-CB 3.43Å; S143-A147 PolarHBondContact O-N 3.16Å; L144-A147 PolarHBondContact O-N 3.18Å; I145-A147 VanDerWaalsContact C-N 3.3Å; I145-A147 PolarHBondContact O-N 3.09Å; A147-V149 VanDerWaalsContact C-N 3.34Å; A147-V149 PolarHBondContact O-N 2.69Å; A147-V150 PolarHBondContact O-N 3.03Å; A147-L151 VanDerWaalsContact O-CB 3.26Å; A147-L151 WeakPolarHBondContact O-CB 3.26Å; A147-L151 VanDerWaalsContact O-CG 3.22Å; A147-L151 WeakPolarHBondContact O-CG 3.31Å; A147-L151 PolarHBondContact O-N 3.19Å |
| 148 | V | 96.3 | Very high | 93.8 | Very high | 84 Ų | 84 | 64.1 Ų | 64.1 | 51% | 0.509 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.3 | -47 | 174.4 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | L144 I145 A146 M152 | L144-V148 WeakPolarHBondContact O-CG2 3.45Å; L144-V148 PolarHBondContact O-N 3.21Å; I145-V148 PolarHBondContact O-N 2.93Å; A146-V148 PolarHBondContact O-N 3.42Å; V148-M152 HydrophobicContact CG1-CG 4.37Å; V148-M152 WeakPolarHBondContact O-CB 3.38Å; V148-M152 WeakPolarHBondContact O-CG 3.17Å; V148-M152 PolarHBondContact O-N 3.22Å |
| 149 | V | 96.5 | Very high | 93.6 | Very high | 58 Ų | 58 | 70.7 Ų | 70.7 | 35% | 0.352 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.8 | -47.1 | -179.5 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | I145 A146 A147 T153 I173 M177 | I145-V149 WeakPolarHBondContact O-CG2 3.41Å; I145-V149 PolarHBondContact O-N 3.17Å; I145-V149 VanDerWaalsContact O-N 3.12Å; A146-V149 PolarHBondContact O-N 2.83Å; A147-V149 VanDerWaalsContact C-N 3.34Å; A147-V149 PolarHBondContact O-N 2.69Å; V149-T153 WeakPolarHBondContact O-CB 3.46Å; V149-T153 PolarHBondContact O-N 3.32Å; V149-T153 PolarHBondContact O-OG1 2.85Å; V149-I173 HydrophobicContact CG1-CG2 3.97Å; V149-M177 HydrophobicContact CB-SD 4.22Å; V149-M177 HydrophobicContact CG1-SD 4.26Å; V149-M177 HydrophobicContact CG2-SD 4.26Å |
| 150 | V | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.2 | -47.9 | -178.8 | 170.8 | 0 | 0 | 0 | 0 | 111 | L128 L131 A146 A147 M152 T153 R154 E170 I173 | L128-V150 HydrophobicContact CD2-CG1 4.43Å; L131-V150 HydrophobicContact CD1-CB 4.27Å; L131-V150 HydrophobicContact CD1-CG1 4.23Å; L131-V150 HydrophobicContact CD2-CB 4.14Å; L131-V150 HydrophobicContact CD2-CG2 3.8Å; L131-V150 HydrophobicContact CG-CG2 4.48Å; A146-V150 WeakPolarHBondContact O-CB 3.42Å; A146-V150 VanDerWaalsContact O-CG2 3.31Å; A146-V150 WeakPolarHBondContact O-CG2 3.34Å; A146-V150 PolarHBondContact O-N 3.48Å; A147-V150 PolarHBondContact O-N 3.03Å; V150-M152 PolarHBondContact O-N 3.02Å; V150-T153 WeakPolarHBondContact O-CB 3.07Å; V150-T153 PolarHBondContact O-N 3.19Å; V150-T153 VanDerWaalsContact O-N 3.17Å; V150-R154 PolarHBondContact O-N 3Å; V150-E170 HydrophobicContact CG1-CB 3.79Å; V150-E170 HydrophobicContact CG1-CG 3.81Å; V150-I173 HydrophobicContact CG2-CG2 4.13Å |
| 151 | L | 94.2 | Very high | 93.1 | Very high | 87 Ų | 87 | 73.9 Ų | 73.9 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.6 | -38.3 | 180 | -66.4 | 175.5 | 0 | 0 | 0 | 112.3 | A147 T153 R154 V155 | A147-L151 VanDerWaalsContact O-CB 3.26Å; A147-L151 WeakPolarHBondContact O-CB 3.26Å; A147-L151 VanDerWaalsContact O-CG 3.22Å; A147-L151 WeakPolarHBondContact O-CG 3.31Å; A147-L151 PolarHBondContact O-N 3.19Å; L151-T153 VanDerWaalsContact C-N 3.3Å; L151-T153 PolarHBondContact O-N 3.15Å; L151-R154 WeakPolarHBondContact O-CB 3.48Å; L151-R154 PolarHBondContact O-N 2.76Å; L151-V155 WeakPolarHBondContact O-CG2 3.45Å; L151-V155 PolarHBondContact O-N 2.79Å |
| 152 | M | 94.5 | Very high | 92.2 | Very high | 113 Ų | 113 | 72.2 Ų | 72.2 | 56% | 0.557 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.9 | -38.7 | 172.7 | -75.7 | -62 | -66.2 | 0 | 0 | 111.4 | V148 V150 R154 V155 V156 | V148-M152 HydrophobicContact CG1-CG 4.37Å; V148-M152 WeakPolarHBondContact O-CB 3.38Å; V148-M152 WeakPolarHBondContact O-CG 3.17Å; V148-M152 PolarHBondContact O-N 3.22Å; V150-M152 PolarHBondContact O-N 3.02Å; M152-R154 VanDerWaalsContact C-N 3.33Å; M152-R154 PolarHBondContact O-N 3.11Å; M152-V155 PolarHBondContact O-N 3.02Å; M152-V156 WeakPolarHBondContact O-CG2 3.5Å; M152-V156 PolarHBondContact O-N 3.49Å |
| 153 | T | 93.2 | Very high | 91.3 | Very high | 33 Ų | 33 | 73.8 Ų | 73.8 | 20% | 0.202 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 173.9 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | V149 V150 L151 V155 V156 V157 I169 I173 | V149-T153 WeakPolarHBondContact O-CB 3.46Å; V149-T153 PolarHBondContact O-N 3.32Å; V149-T153 PolarHBondContact O-OG1 2.85Å; V150-T153 WeakPolarHBondContact O-CB 3.07Å; V150-T153 PolarHBondContact O-N 3.19Å; V150-T153 VanDerWaalsContact O-N 3.17Å; L151-T153 VanDerWaalsContact C-N 3.3Å; L151-T153 PolarHBondContact O-N 3.15Å; T153-V155 PolarHBondContact O-N 3.4Å; T153-V156 PolarHBondContact O-N 3.48Å; T153-V157 HydrophobicContact CG2-CG2 4.17Å; T153-V157 VanDerWaalsContact O-CG2 3.31Å; T153-V157 WeakPolarHBondContact O-CG2 3.46Å; T153-V157 PolarHBondContact O-N 3.45Å; T153-I169 HydrophobicContact CG2-CG2 3.65Å; T153-I173 HydrophobicContact CG2-CG1 4.21Å |
| 154 | R | 92.4 | Very high | 90.4 | Very high | 67 Ų | 67 | 75.6 Ų | 75.6 | 25% | 0.253 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -55.2 | -50 | 174.6 | -167.6 | -171.4 | 175.6 | 71.5 | 4.6 | 111.8 | V150 L151 M152 V156 V157 V158 P166 E167 E170 | V150-R154 PolarHBondContact O-N 3Å; L151-R154 WeakPolarHBondContact O-CB 3.48Å; L151-R154 PolarHBondContact O-N 2.76Å; M152-R154 VanDerWaalsContact C-N 3.33Å; M152-R154 PolarHBondContact O-N 3.11Å; R154-V156 VanDerWaalsContact C-N 3.31Å; R154-V156 PolarHBondContact O-N 3.03Å; R154-V157 PolarHBondContact O-N 3.14Å; R154-V158 HydrophobicContact CG-CG2 4.3Å; R154-V158 WeakPolarHBondContact O-CB 3.42Å; R154-V158 VanDerWaalsContact O-CG2 3.28Å; R154-V158 WeakPolarHBondContact O-CG2 3.33Å; R154-V158 PolarHBondContact O-N 3.41Å; R154-P166 HydrophobicContact CG-CB 4.21Å; R154-E167 IonicContact CZ-OE1 3.86Å; R154-E167 VanDerWaalsContact CZ-OE1 3.29Å; R154-E167 IonicContact NH1-OE1 3.8Å; R154-E167 PolarHBondContact NH1-OE1 2.93Å; R154-E167 IonicContact NH2-OE1 2.77Å; R154-E167 PolarHBondContact NH2-OE1 3.06Å; R154-E170 HydrophobicContact CB-CG 4.08Å; R154-E170 VanDerWaalsContact CB-OE1 3.23Å; R154-E170 WeakPolarHBondContact CB-OE1 3.31Å; R154-E170 WeakPolarHBondContact CD-OE1 3.18Å; R154-E170 HydrophobicContact CG-CG 4.43Å; R154-E170 WeakPolarHBondContact CG-OE1 3.25Å; R154-E170 IonicContact CZ-OE2 3.24Å; R154-E170 IonicContact NH1-OE1 2.98Å; R154-E170 IonicContact NH1-OE2 3.96Å; R154-E170 PolarHBondContact NH1-OE2 3.34Å |
| 155 | V | 92.5 | Very high | 89.6 | Confident | 91 Ų | 91 | 72.4 Ų | 72.4 | 55% | 0.552 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -59.6 | -43.6 | 179.9 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | L151 M152 T153 R159 | L151-V155 WeakPolarHBondContact O-CG2 3.45Å; L151-V155 PolarHBondContact O-N 2.79Å; M152-V155 PolarHBondContact O-N 3.02Å; T153-V155 PolarHBondContact O-N 3.4Å; V155-R159 WeakPolarHBondContact O-CB 3.47Å; V155-R159 PolarHBondContact O-N 3.34Å |
| 156 | V | 92.9 | Very high | 89.1 | Confident | 61 Ų | 61 | 68.8 Ų | 68.8 | 37% | 0.37 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.9 | -47 | 177.4 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | M152 T153 R154 R159 Y160 F161 | M152-V156 WeakPolarHBondContact O-CG2 3.5Å; M152-V156 PolarHBondContact O-N 3.49Å; T153-V156 PolarHBondContact O-N 3.48Å; R154-V156 VanDerWaalsContact C-N 3.31Å; R154-V156 PolarHBondContact O-N 3.03Å; V156-R159 PolarHBondContact O-N 2.88Å; V156-Y160 HydrophobicContact CB-CD2 4.48Å; V156-Y160 HydrophobicContact CG1-CD2 4.01Å; V156-Y160 WeakPolarHBondContact O-CB 3.38Å; V156-Y160 WeakPolarHBondContact O-CD2 3.44Å; V156-Y160 PolarHBondContact O-N 2.96Å; V156-F161 HydrophobicContact CG1-CE2 4.39Å |
| 157 | V | 89.7 | Confident | 88.6 | Confident | 9 Ų | 9 | 69.9 Ų | 69.9 | 6% | 0.055 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.5 | -49.9 | 179.7 | 173 | 0 | 0 | 0 | 0 | 110.7 | T153 R154 R159 F161 L164 P166 I169 | T153-V157 HydrophobicContact CG2-CG2 4.17Å; T153-V157 VanDerWaalsContact O-CG2 3.31Å; T153-V157 WeakPolarHBondContact O-CG2 3.46Å; T153-V157 PolarHBondContact O-N 3.45Å; R154-V157 PolarHBondContact O-N 3.14Å; V157-R159 VanDerWaalsContact C-N 3.25Å; V157-R159 PolarHBondContact O-N 2.94Å; V157-F161 HydrophobicContact CG1-CB 4.4Å; V157-F161 CarbonylContact O-C 3.57Å; V157-F161 VanDerWaalsContact O-CA 3.23Å; V157-F161 WeakPolarHBondContact O-CA 3.46Å; V157-F161 PolarHBondContact O-N 3.34Å; V157-L164 HydrophobicContact CG1-CB 4.04Å; V157-P166 HydrophobicContact CB-CB 4.36Å; V157-P166 HydrophobicContact CG1-CB 3.92Å; V157-I169 HydrophobicContact CG1-CD1 3.96Å; V157-I169 HydrophobicContact CG2-CB 4.46Å; V157-I169 HydrophobicContact CG2-CD1 3.71Å; V157-I169 HydrophobicContact CG2-CG2 4.13Å |
| 158 | V | 88.5 | Confident | 87.9 | Confident | 84 Ų | 84 | 69.1 Ų | 69.1 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 179.3 | 172 | 0 | 0 | 0 | 0 | 111.3 | R154 P166 | R154-V158 HydrophobicContact CG-CG2 4.3Å; R154-V158 WeakPolarHBondContact O-CB 3.42Å; R154-V158 VanDerWaalsContact O-CG2 3.28Å; R154-V158 WeakPolarHBondContact O-CG2 3.33Å; R154-V158 PolarHBondContact O-N 3.41Å; V158-P166 HydrophobicContact CG2-CB 3.96Å; V158-P166 HydrophobicContact CG2-CG 3.97Å |
| 159 | R | 90.5 | Very high | 87.3 | Confident | 173 Ų | 173 | 66.8 Ų | 66.8 | 65% | 0.653 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -80.3 | -39.5 | -175.4 | -175.9 | 62.8 | -177.6 | 93.7 | -4.6 | 114.2 | V155 V156 V157 | V155-R159 WeakPolarHBondContact O-CB 3.47Å; V155-R159 PolarHBondContact O-N 3.34Å; V156-R159 PolarHBondContact O-N 2.88Å; V157-R159 VanDerWaalsContact C-N 3.25Å; V157-R159 PolarHBondContact O-N 2.94Å |
| 160 | Y | 90.3 | Very high | 87 | Confident | 159 Ų | 159 | 64.1 Ų | 64.1 | 62% | 0.624 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -113.3 | -22.4 | -169.4 | -62.8 | -73.6 | 0 | 0 | 0 | 113.6 | V156 P162 | V156-Y160 HydrophobicContact CB-CD2 4.48Å; V156-Y160 HydrophobicContact CG1-CD2 4.01Å; V156-Y160 WeakPolarHBondContact O-CB 3.38Å; V156-Y160 WeakPolarHBondContact O-CD2 3.44Å; V156-Y160 PolarHBondContact O-N 2.96Å; Y160-P162 VanDerWaalsContact C-CD 3.44Å |
| 161 | F | 86 | Confident | 86.7 | Confident | 94 Ų | 94 | 64.1 Ų | 64.1 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | trans | -130.1 | 59.1 | -177.7 | -54.9 | -81.3 | 0 | 0 | 0 | 111.7 | V156 V157 H163 L164 | V156-F161 HydrophobicContact CG1-CE2 4.39Å; V157-F161 HydrophobicContact CG1-CB 4.4Å; V157-F161 CarbonylContact O-C 3.57Å; V157-F161 VanDerWaalsContact O-CA 3.23Å; V157-F161 WeakPolarHBondContact O-CA 3.46Å; V157-F161 PolarHBondContact O-N 3.34Å; F161-H163 PolarHBondContact O-N 3.33Å; F161-L164 HydrophobicContact CB-CB 4.39Å; F161-L164 HydrophobicContact CB-CD1 3.78Å; F161-L164 HydrophobicContact CB-CG 4.08Å; F161-L164 HydrophobicContact CD1-CD1 4.46Å; F161-L164 HydrophobicContact CG-CD1 4.22Å; F161-L164 PolarHBondContact O-N 3.49Å | ||
| 162 | P | 75.9 | Confident | 86.3 | Confident | 104 Ų | 104 | 62.9 Ų | 62.9 | 68% | 0.675 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -11.2 | -175 | 27.8 | -36.6 | 0 | 0 | 0 | 114.1 | Y160 | Y160-P162 VanDerWaalsContact C-CD 3.44Š|
| 163 | H | 73.8 | Confident | 86.2 | Confident | 105 Ų | 105 | 59.6 Ų | 59.6 | 49% | 0.486 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -5.1 | 174.5 | 52.7 | -89.6 | 0 | 0 | 0 | 113.3 | F161 Q262 | F161-H163 PolarHBondContact O-N 3.33Å; H163-Q262 WeakPolarHBondContact O-CG 3.44Å; H163-Q262 PolarHBondContact O-NE2 3.24Å |
| 164 | L | 74.6 | Confident | 86.1 | Confident | 53 Ų | 53 | 58 Ų | 58 | 28% | 0.277 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -99.7 | 146.4 | 173.7 | -61.3 | 178.7 | 0 | 0 | 0 | 109.6 | V157 F161 P166 I169 L265 | V157-L164 HydrophobicContact CG1-CB 4.04Å; F161-L164 HydrophobicContact CB-CB 4.39Å; F161-L164 HydrophobicContact CB-CD1 3.78Å; F161-L164 HydrophobicContact CB-CG 4.08Å; F161-L164 HydrophobicContact CD1-CD1 4.46Å; F161-L164 HydrophobicContact CG-CD1 4.22Å; F161-L164 PolarHBondContact O-N 3.49Å; L164-P166 WeakPolarHBondContact O-CD 3.32Å; L164-I169 HydrophobicContact CB-CD1 3.86Å; L164-I169 HydrophobicContact CD1-CD1 3.83Å; L164-I169 HydrophobicContact CG-CD1 4.44Å; L164-L265 HydrophobicContact CD2-CD2 4.4Å |
| 165 | N | 77.6 | Confident | 86 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 16% | 0.155 | 27% | 0.274 | C | S | . | . | trans | -77 | 108.1 | 174.5 | -177.9 | -56.7 | 0 | 0 | 0 | 108.7 | E167 S168 | N165-E167 VanDerWaalsContact C-N 3.28Å; N165-E167 PolarHBondContact O-N 3.24Å; N165-E167 WeakPolarHBondContact OD1-CB 3.29Å; N165-E167 PolarHBondContact OD1-N 3.3Å; N165-E167 PolarHBondContact OD1-OE2 2.86Å; N165-E167 VanDerWaalsContact OD1-OE2 3.1Å; N165-S168 PolarHBondContact O-N 3.12Å; N165-S168 PolarHBondContact OD1-N 3.02Å; N165-S168 VanDerWaalsContact OD1-N 3.13Å; N165-S168 PolarHBondContact OD1-OG 2.91Å | ||
| 166 | P | 85.2 | Confident | 86 | Confident | 20 Ų | 20 | 54.3 Ų | 54.3 | 13% | 0.13 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -36.2 | -173 | 23.5 | -29.5 | 0 | 0 | 0 | 112 | R154 V157 V158 L164 S168 I169 E170 | R154-P166 HydrophobicContact CG-CB 4.21Å; V157-P166 HydrophobicContact CB-CB 4.36Å; V157-P166 HydrophobicContact CG1-CB 3.92Å; V158-P166 HydrophobicContact CG2-CB 3.96Å; V158-P166 HydrophobicContact CG2-CG 3.97Å; L164-P166 WeakPolarHBondContact O-CD 3.32Å; P166-S168 VanDerWaalsContact C-N 3.31Å; P166-S168 PolarHBondContact O-N 2.82Å; P166-I169 PolarHBondContact O-N 2.96Å; P166-E170 WeakPolarHBondContact O-CG 3.46Å; P166-E170 PolarHBondContact O-N 3.28Å |
| 167 | E | 85.9 | Confident | 86 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.9 | -38.3 | -178.9 | -67.3 | 77.6 | -155.4 | 0 | 0 | 112.2 | V123 A127 R154 N165 I169 E170 I171 | V123-E167 HydrophobicContact CG1-CB 4.2Å; V123-E167 HydrophobicContact CG1-CG 4.03Å; A127-E167 HydrophobicContact CB-CB 3.78Å; A127-E167 HydrophobicContact CB-CG 4.11Å; R154-E167 IonicContact CZ-OE1 3.86Å; R154-E167 VanDerWaalsContact CZ-OE1 3.29Å; R154-E167 IonicContact NH1-OE1 3.8Å; R154-E167 PolarHBondContact NH1-OE1 2.93Å; R154-E167 IonicContact NH2-OE1 2.77Å; R154-E167 PolarHBondContact NH2-OE1 3.06Å; N165-E167 VanDerWaalsContact C-N 3.28Å; N165-E167 PolarHBondContact O-N 3.24Å; N165-E167 WeakPolarHBondContact OD1-CB 3.29Å; N165-E167 PolarHBondContact OD1-N 3.3Å; N165-E167 PolarHBondContact OD1-OE2 2.86Å; N165-E167 VanDerWaalsContact OD1-OE2 3.1Å; E167-I169 VanDerWaalsContact C-N 3.34Å; E167-I169 PolarHBondContact O-N 3.22Å; E167-E170 PolarHBondContact O-N 2.64Å; E167-I171 WeakPolarHBondContact O-CG1 3.43Å; E167-I171 PolarHBondContact O-N 3.45Å |
| 168 | S | 80.1 | Confident | 86.2 | Confident | 5 Ų | 5 | 53 Ų | 53 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.1 | -35.5 | 178.8 | -57 | 0 | 0 | 0 | 0 | 112.5 | N165 P166 F172 A266 | N165-S168 PolarHBondContact O-N 3.12Å; N165-S168 PolarHBondContact OD1-N 3.02Å; N165-S168 VanDerWaalsContact OD1-N 3.13Å; N165-S168 PolarHBondContact OD1-OG 2.91Å; P166-S168 VanDerWaalsContact C-N 3.31Å; P166-S168 PolarHBondContact O-N 2.82Å; S168-F172 PolarHBondContact O-N 3.44Å; S168-F172 VanDerWaalsContact O-N 3.16Å; S168-A266 WeakPolarHBondContact OG-CA 3.32Å; S168-A266 WeakPolarHBondContact OG-CB 3.39Å |
| 169 | I | 85.4 | Confident | 86.2 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 18% | 0.179 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72.4 | -39.1 | 176.5 | -64.3 | 173.5 | 0 | 0 | 0 | 110.1 | T153 V157 L164 P166 E167 I171 F172 I173 | T153-I169 HydrophobicContact CG2-CG2 3.65Å; V157-I169 HydrophobicContact CG1-CD1 3.96Å; V157-I169 HydrophobicContact CG2-CB 4.46Å; V157-I169 HydrophobicContact CG2-CD1 3.71Å; V157-I169 HydrophobicContact CG2-CG2 4.13Å; L164-I169 HydrophobicContact CB-CD1 3.86Å; L164-I169 HydrophobicContact CD1-CD1 3.83Å; L164-I169 HydrophobicContact CG-CD1 4.44Å; P166-I169 PolarHBondContact O-N 2.96Å; E167-I169 VanDerWaalsContact C-N 3.34Å; E167-I169 PolarHBondContact O-N 3.22Å; I169-I171 PolarHBondContact O-N 3.11Å; I169-F172 PolarHBondContact O-N 2.63Å; I169-I173 HydrophobicContact CG2-CG1 4.11Å; I169-I173 WeakPolarHBondContact O-CB 3.22Å; I169-I173 WeakPolarHBondContact O-CG1 3.33Å; I169-I173 PolarHBondContact O-N 2.8Å |
| 170 | E | 90 | Very high | 86.2 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 173.7 | -73.1 | -179.7 | 121.4 | 0 | 0 | 112 | A127 V150 R154 P166 E167 F172 G174 | A127-E170 HydrophobicContact CB-CB 4.19Å; V150-E170 HydrophobicContact CG1-CB 3.79Å; V150-E170 HydrophobicContact CG1-CG 3.81Å; R154-E170 HydrophobicContact CB-CG 4.08Å; R154-E170 VanDerWaalsContact CB-OE1 3.23Å; R154-E170 WeakPolarHBondContact CB-OE1 3.31Å; R154-E170 WeakPolarHBondContact CD-OE1 3.18Å; R154-E170 HydrophobicContact CG-CG 4.43Å; R154-E170 WeakPolarHBondContact CG-OE1 3.25Å; R154-E170 IonicContact CZ-OE2 3.24Å; R154-E170 IonicContact NH1-OE1 2.98Å; R154-E170 IonicContact NH1-OE2 3.96Å; R154-E170 PolarHBondContact NH1-OE2 3.34Å; P166-E170 WeakPolarHBondContact O-CG 3.46Å; P166-E170 PolarHBondContact O-N 3.28Å; E167-E170 PolarHBondContact O-N 2.64Å; E170-F172 VanDerWaalsContact C-N 3.33Å; E170-F172 PolarHBondContact O-N 3.18Å; E170-G174 WeakPolarHBondContact O-CA 3.28Å; E170-G174 PolarHBondContact O-N 3.31Å |
| 171 | I | 87.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.7 | -48.8 | 175.4 | -68.3 | 167.5 | 0 | 0 | 0 | 110.3 | F126 A127 F129 E167 I169 G174 M175 V238 | F126-I171 HydrophobicContact CD1-CD1 4.05Å; F126-I171 HydrophobicContact CE1-CD1 4.14Å; A127-I171 HydrophobicContact CB-CD1 4.46Å; A127-I171 HydrophobicContact CB-CG1 4.05Å; F129-I171 HydrophobicContact CE1-CG1 4.37Å; F129-I171 HydrophobicContact CE1-CG2 3.94Å; F129-I171 HydrophobicContact CZ-CG2 4.26Å; E167-I171 WeakPolarHBondContact O-CG1 3.43Å; E167-I171 PolarHBondContact O-N 3.45Å; I169-I171 PolarHBondContact O-N 3.11Å; I171-G174 PolarHBondContact O-N 3.09Å; I171-M175 WeakPolarHBondContact O-CB 3.32Å; I171-M175 PolarHBondContact O-N 2.63Å; I171-V238 HydrophobicContact CD1-CG1 4.1Å |
| 172 | F | 86.2 | Confident | 86.5 | Confident | 61 Ų | 61 | 32.9 Ų | 32.9 | 27% | 0.268 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.8 | -52.4 | -177.6 | 176.8 | -103.3 | 0 | 0 | 0 | 112.1 | S168 I169 E170 G174 M175 V176 M269 L272 | S168-F172 PolarHBondContact O-N 3.44Å; S168-F172 VanDerWaalsContact O-N 3.16Å; I169-F172 PolarHBondContact O-N 2.63Å; E170-F172 VanDerWaalsContact C-N 3.33Å; E170-F172 PolarHBondContact O-N 3.18Å; F172-G174 VanDerWaalsContact C-N 3.31Å; F172-G174 PolarHBondContact O-N 3.42Å; F172-M175 PolarHBondContact O-N 2.98Å; F172-V176 HydrophobicContact CD1-CG2 4.38Å; F172-V176 HydrophobicContact CD2-CG2 4.45Å; F172-V176 HydrophobicContact CE1-CG2 3.98Å; F172-V176 HydrophobicContact CE2-CG2 4.04Å; F172-V176 HydrophobicContact CZ-CG2 3.8Å; F172-V176 WeakPolarHBondContact O-CG2 3.46Å; F172-V176 PolarHBondContact O-N 3.27Å; F172-M269 HydrophobicContact CB-CB 4.3Å; F172-M269 HydrophobicContact CB-CE 3.64Å; F172-M269 HydrophobicContact CB-SD 4.26Å; F172-M269 HydrophobicContact CD1-CE 3.4Å; F172-M269 HydrophobicContact CD1-SD 4.43Å; F172-M269 HydrophobicContact CD2-CE 3.79Å; F172-M269 HydrophobicContact CD2-SD 3.74Å; F172-M269 HydrophobicContact CE1-CE 3.95Å; F172-M269 HydrophobicContact CE2-CE 4.3Å; F172-M269 HydrophobicContact CE2-SD 4.17Å; F172-M269 HydrophobicContact CG-CE 3.3Å; F172-M269 HydrophobicContact CG-SD 3.89Å; F172-M269 HydrophobicContact CZ-CE 4.36Å; F172-L272 HydrophobicContact CD2-CD1 4.35Å; F172-L272 HydrophobicContact CE2-CD1 3.97Å |
| 173 | I | 91.7 | Very high | 87.2 | Confident | 43 Ų | 43 | 29.8 Ų | 29.8 | 22% | 0.221 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.1 | -41.2 | 179.6 | -65 | -60.4 | 0 | 0 | 0 | 110.8 | V149 V150 T153 I169 M175 V176 M177 | V149-I173 HydrophobicContact CG1-CG2 3.97Å; V150-I173 HydrophobicContact CG2-CG2 4.13Å; T153-I173 HydrophobicContact CG2-CG1 4.21Å; I169-I173 HydrophobicContact CG2-CG1 4.11Å; I169-I173 WeakPolarHBondContact O-CB 3.22Å; I169-I173 WeakPolarHBondContact O-CG1 3.33Å; I169-I173 PolarHBondContact O-N 2.8Å; I173-M175 VanDerWaalsContact C-N 3.33Å; I173-M175 PolarHBondContact O-N 3.08Å; I173-V176 PolarHBondContact O-N 3.46Å; I173-M177 WeakPolarHBondContact O-CB 3.29Å; I173-M177 VanDerWaalsContact O-CG 3.28Å; I173-M177 WeakPolarHBondContact O-CG 3.49Å; I173-M177 PolarHBondContact O-N 2.63Å |
| 174 | G | 92.6 | Very high | 88 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.1 | -42.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P130 E170 I171 F172 M177 L178 | P130-G174 WeakPolarHBondContact CB-O 3.45Å; E170-G174 WeakPolarHBondContact O-CA 3.28Å; E170-G174 PolarHBondContact O-N 3.31Å; I171-G174 PolarHBondContact O-N 3.09Å; F172-G174 VanDerWaalsContact C-N 3.31Å; F172-G174 PolarHBondContact O-N 3.42Å; G174-M177 WeakPolarHBondContact O-CB 3.43Å; G174-M177 PolarHBondContact O-N 2.93Å; G174-L178 WeakPolarHBondContact O-CB 3.38Å; G174-L178 PolarHBondContact O-N 3.16Å |
| 175 | M | 89.8 | Confident | 88.7 | Confident | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -73 | -38.4 | 178 | -168.9 | 60.5 | 86.3 | 0 | 0 | 112.6 | F129 I171 F172 I173 M177 L178 L179 G273 I344 | F129-M175 HydrophobicContact CE2-CE 3.76Å; F129-M175 HydrophobicContact CZ-CE 4.02Å; I171-M175 WeakPolarHBondContact O-CB 3.32Å; I171-M175 PolarHBondContact O-N 2.63Å; F172-M175 PolarHBondContact O-N 2.98Å; I173-M175 VanDerWaalsContact C-N 3.33Å; I173-M175 PolarHBondContact O-N 3.08Å; M175-M177 VanDerWaalsContact C-N 3.27Å; M175-M177 PolarHBondContact O-N 3.29Å; M175-L178 PolarHBondContact O-N 2.93Å; M175-L178 HydrophobicContact SD-CB 4.08Å; M175-L178 HydrophobicContact SD-CD1 4.11Å; M175-L178 HydrophobicContact SD-CD2 3.79Å; M175-L178 HydrophobicContact SD-CG 4.22Å; M175-L179 HydrophobicContact CG-CD1 4.17Å; M175-L179 HydrophobicContact CG-CG 4.25Å; M175-L179 WeakPolarHBondContact O-CB 3.49Å; M175-L179 WeakPolarHBondContact O-CG 3.38Å; M175-L179 PolarHBondContact O-N 2.92Å; M175-L179 HydrophobicContact SD-CG 4.43Å; M175-G273 WeakPolarHBondContact CE-O 3.3Å; M175-I344 HydrophobicContact CE-CD1 3.47Å; M175-I344 VanDerWaalsContact CE-CD1 3.47Å; M175-I344 HydrophobicContact CE-CG1 4.18Å; M175-I344 HydrophobicContact SD-CD1 4.25Å |
| 176 | V | 91.5 | Very high | 89.1 | Confident | 75 Ų | 75 | 27.7 Ų | 27.7 | 46% | 0.455 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -58.9 | -42.9 | 173.1 | 169.4 | 0 | 0 | 0 | 0 | 110.4 | F172 I173 L179 G180 | F172-V176 HydrophobicContact CD1-CG2 4.38Å; F172-V176 HydrophobicContact CD2-CG2 4.45Å; F172-V176 HydrophobicContact CE1-CG2 3.98Å; F172-V176 HydrophobicContact CE2-CG2 4.04Å; F172-V176 HydrophobicContact CZ-CG2 3.8Å; F172-V176 WeakPolarHBondContact O-CG2 3.46Å; F172-V176 PolarHBondContact O-N 3.27Å; I173-V176 PolarHBondContact O-N 3.46Å; V176-L179 PolarHBondContact O-N 2.98Å; V176-G180 PolarHBondContact O-N 3.36Å |
| 177 | M | 94.4 | Very high | 89.2 | Confident | 42 Ų | 42 | 30.8 Ų | 30.8 | 21% | 0.207 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.2 | -48.3 | 173.9 | -78.5 | -100.9 | 23.6 | 0 | 0 | 111.5 | I134 A146 V149 I173 G174 M175 L179 G180 I181 | I134-M177 HydrophobicContact CD1-CB 4.2Å; A146-M177 HydrophobicContact CB-CB 4.31Å; A146-M177 HydrophobicContact CB-CE 4.32Å; A146-M177 HydrophobicContact CB-SD 4.31Å; V149-M177 HydrophobicContact CB-SD 4.22Å; V149-M177 HydrophobicContact CG1-SD 4.26Å; V149-M177 HydrophobicContact CG2-SD 4.26Å; I173-M177 WeakPolarHBondContact O-CB 3.29Å; I173-M177 VanDerWaalsContact O-CG 3.28Å; I173-M177 WeakPolarHBondContact O-CG 3.49Å; I173-M177 PolarHBondContact O-N 2.63Å; G174-M177 WeakPolarHBondContact O-CB 3.43Å; G174-M177 PolarHBondContact O-N 2.93Å; M175-M177 VanDerWaalsContact C-N 3.27Å; M175-M177 PolarHBondContact O-N 3.29Å; M177-L179 PolarHBondContact O-N 3.46Å; M177-G180 PolarHBondContact O-N 3.07Å; M177-I181 HydrophobicContact CE-CD1 3.71Å; M177-I181 HydrophobicContact CE-CG1 4.12Å; M177-I181 WeakPolarHBondContact O-CB 3.43Å; M177-I181 WeakPolarHBondContact O-CD1 3.24Å; M177-I181 WeakPolarHBondContact O-CG1 3.46Å; M177-I181 PolarHBondContact O-N 2.94Å |
| 178 | L | 92.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59 | -48.7 | 178 | -178.7 | 156 | 0 | 0 | 0 | 111.7 | A133 I134 G174 M175 I181 A182 A340 I344 | A133-L178 HydrophobicContact CB-CD1 3.59Å; I134-L178 HydrophobicContact CD1-CB 3.96Å; I134-L178 HydrophobicContact CG1-CB 3.73Å; I134-L178 HydrophobicContact CG1-CD1 4.18Å; I134-L178 HydrophobicContact CG1-CG 4.01Å; G174-L178 WeakPolarHBondContact O-CB 3.38Å; G174-L178 PolarHBondContact O-N 3.16Å; M175-L178 PolarHBondContact O-N 2.93Å; M175-L178 HydrophobicContact SD-CB 4.08Å; M175-L178 HydrophobicContact SD-CD1 4.11Å; M175-L178 HydrophobicContact SD-CD2 3.79Å; M175-L178 HydrophobicContact SD-CG 4.22Å; L178-I181 PolarHBondContact O-N 3.4Å; L178-A182 VanDerWaalsContact O-CB 3.28Å; L178-A182 WeakPolarHBondContact O-CB 3.04Å; L178-A182 PolarHBondContact O-N 3.29Å; L178-A340 HydrophobicContact CD2-CB 3.77Å; L178-I344 HydrophobicContact CD1-CD1 4.35Å; L178-I344 HydrophobicContact CD1-CG1 4.17Å |
| 179 | L | 89.5 | Confident | 89 | Confident | 37 Ų | 37 | 43 Ų | 43 | 19% | 0.194 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.1 | -43.9 | 178.2 | -70.3 | 175.4 | 0 | 0 | 0 | 111.6 | M175 V176 M177 I181 A182 I183 P276 V337 | M175-L179 HydrophobicContact CG-CD1 4.17Å; M175-L179 HydrophobicContact CG-CG 4.25Å; M175-L179 WeakPolarHBondContact O-CB 3.49Å; M175-L179 WeakPolarHBondContact O-CG 3.38Å; M175-L179 PolarHBondContact O-N 2.92Å; M175-L179 HydrophobicContact SD-CG 4.43Å; V176-L179 PolarHBondContact O-N 2.98Å; M177-L179 PolarHBondContact O-N 3.46Å; L179-I181 PolarHBondContact O-N 2.87Å; L179-A182 PolarHBondContact O-N 2.94Å; L179-I183 WeakPolarHBondContact O-CB 3.39Å; L179-I183 WeakPolarHBondContact O-CD1 3.36Å; L179-I183 VanDerWaalsContact O-CG1 3.22Å; L179-I183 WeakPolarHBondContact O-CG1 3.44Å; L179-I183 PolarHBondContact O-N 3.13Å; L179-P276 HydrophobicContact CD2-CG 4.05Å; L179-V337 HydrophobicContact CD2-CB 4.39Å; L179-V337 HydrophobicContact CD2-CG1 3.45Å; L179-V337 VanDerWaalsContact CD2-CG1 3.45Å; L179-V337 HydrophobicContact CD2-CG2 4.07Å |
| 180 | G | 91.3 | Very high | 88.2 | Confident | 33 Ų | 33 | 49.7 Ų | 49.7 | 34% | 0.34 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61 | -43.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V176 M177 T184 | V176-G180 PolarHBondContact O-N 3.36Å; M177-G180 PolarHBondContact O-N 3.07Å; G180-T184 VanDerWaalsContact O-CB 3.26Å; G180-T184 WeakPolarHBondContact O-CB 3.45Å; G180-T184 PolarHBondContact O-N 3.11Å; G180-T184 PolarHBondContact O-OG1 2.76Å |
| 181 | I | 93.2 | Very high | 86.5 | Confident | 16 Ų | 16 | 57.7 Ų | 57.7 | 8% | 0.082 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.8 | -46.5 | 175.6 | -67.8 | 161 | 0 | 0 | 0 | 110.3 | I134 F138 Q142 M177 L178 L179 T184 H185 | I134-I181 HydrophobicContact CD1-CD1 4.06Å; I134-I181 HydrophobicContact CG1-CD1 4.35Å; I134-I181 HydrophobicContact CG2-CD1 3.95Å; F138-I181 HydrophobicContact CB-CG2 4.11Å; F138-I181 HydrophobicContact CD1-CG2 3.97Å; F138-I181 HydrophobicContact CD2-CB 4.43Å; F138-I181 HydrophobicContact CD2-CG2 3.56Å; F138-I181 HydrophobicContact CE1-CG2 4.29Å; F138-I181 HydrophobicContact CE2-CB 4.49Å; F138-I181 HydrophobicContact CE2-CG2 3.92Å; F138-I181 HydrophobicContact CG-CG2 3.6Å; F138-I181 HydrophobicContact CZ-CG2 4.27Å; Q142-I181 HydrophobicContact CB-CD1 4.13Å; Q142-I181 HydrophobicContact CG-CG2 4.29Å; M177-I181 HydrophobicContact CE-CD1 3.71Å; M177-I181 HydrophobicContact CE-CG1 4.12Å; M177-I181 WeakPolarHBondContact O-CB 3.43Å; M177-I181 WeakPolarHBondContact O-CD1 3.24Å; M177-I181 WeakPolarHBondContact O-CG1 3.46Å; M177-I181 PolarHBondContact O-N 2.94Å; L178-I181 PolarHBondContact O-N 3.4Å; L179-I181 PolarHBondContact O-N 2.87Å; I181-T184 PolarHBondContact O-N 3.08Å; I181-H185 VanDerWaalsContact O-CB 3.27Å; I181-H185 WeakPolarHBondContact O-CB 3.45Å; I181-H185 PolarHBondContact O-N 3.25Å |
| 182 | A | 89.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F138 L178 L179 H185 D186 V337 | F138-A182 HydrophobicContact CE2-CB 4.2Å; F138-A182 VanDerWaalsContact CZ-CA 3.49Å; F138-A182 HydrophobicContact CZ-CB 3.64Å; L178-A182 VanDerWaalsContact O-CB 3.28Å; L178-A182 WeakPolarHBondContact O-CB 3.04Å; L178-A182 PolarHBondContact O-N 3.29Å; L179-A182 PolarHBondContact O-N 2.94Å; A182-H185 WeakPolarHBondContact O-CB 3.38Å; A182-H185 PolarHBondContact O-N 2.91Å; A182-D186 PolarHBondContact O-N 2.96Å; A182-V337 HydrophobicContact CB-CG2 3.75Å |
| 183 | I | 89.4 | Confident | 83.3 | Confident | 39 Ų | 39 | 67 Ų | 67 | 20% | 0.2 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 177.5 | -69 | 165.8 | 0 | 0 | 0 | 110.3 | L179 H185 D186 L187 W330 Y334 V337 | L179-I183 WeakPolarHBondContact O-CB 3.39Å; L179-I183 WeakPolarHBondContact O-CD1 3.36Å; L179-I183 VanDerWaalsContact O-CG1 3.22Å; L179-I183 WeakPolarHBondContact O-CG1 3.44Å; L179-I183 PolarHBondContact O-N 3.13Å; I183-H185 VanDerWaalsContact C-N 3.27Å; I183-H185 PolarHBondContact O-N 3.47Å; I183-D186 PolarHBondContact O-N 2.98Å; I183-L187 HydrophobicContact CG2-CD1 3.82Å; I183-L187 HydrophobicContact CG2-CG 4.29Å; I183-L187 WeakPolarHBondContact O-CB 3.44Å; I183-L187 VanDerWaalsContact O-CG 3.26Å; I183-L187 WeakPolarHBondContact O-CG 3.43Å; I183-L187 PolarHBondContact O-N 3.16Å; I183-W330 HydrophobicContact CD1-CH2 4.2Å; I183-W330 HydrophobicContact CD1-CZ2 3.93Å; I183-Y334 HydrophobicContact CB-CD1 4.34Å; I183-Y334 HydrophobicContact CB-CE1 4.47Å; I183-Y334 HydrophobicContact CG1-CD1 4.09Å; I183-Y334 HydrophobicContact CG1-CD2 4.39Å; I183-Y334 HydrophobicContact CG1-CE1 4.4Å; I183-Y334 HydrophobicContact CG1-CG 4.08Å; I183-Y334 HydrophobicContact CG2-CD1 4.08Å; I183-Y334 HydrophobicContact CG2-CE1 3.73Å; I183-V337 HydrophobicContact CG1-CG2 4.07Å |
| 184 | T | 90.5 | Very high | 81 | Confident | 61 Ų | 61 | 71.9 Ų | 71.9 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.7 | -36.6 | 178.2 | -56 | 0 | 0 | 0 | 0 | 111.5 | G180 I181 R188 | G180-T184 VanDerWaalsContact O-CB 3.26Å; G180-T184 WeakPolarHBondContact O-CB 3.45Å; G180-T184 PolarHBondContact O-N 3.11Å; G180-T184 PolarHBondContact O-OG1 2.76Å; I181-T184 PolarHBondContact O-N 3.08Å; T184-R188 VanDerWaalsContact O-CG 3.29Å; T184-R188 WeakPolarHBondContact O-CG 3.34Å; T184-R188 PolarHBondContact O-N 2.87Å |
| 185 | H | 89 | Confident | 78.8 | Confident | 73 Ų | 73 | 79.5 Ų | 79.5 | 34% | 0.338 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.6 | -49.7 | 175.2 | -178.9 | -85.6 | 0 | 0 | 0 | 111.3 | F138 I181 A182 I183 L187 R188 H189 S336 | F138-H185 HydrophobicContact CD1-CB 4.48Å; F138-H185 HydrophobicContact CE1-CB 3.96Å; F138-H185 AromaticContact CE1-CG 3.97Å; I181-H185 VanDerWaalsContact O-CB 3.27Å; I181-H185 WeakPolarHBondContact O-CB 3.45Å; I181-H185 PolarHBondContact O-N 3.25Å; A182-H185 WeakPolarHBondContact O-CB 3.38Å; A182-H185 PolarHBondContact O-N 2.91Å; I183-H185 VanDerWaalsContact C-N 3.27Å; I183-H185 PolarHBondContact O-N 3.47Å; H185-L187 PolarHBondContact O-N 2.96Å; H185-R188 PolarHBondContact O-N 3.49Å; H185-H189 AromaticContact CD2-CE1 3.83Å; H185-H189 AromaticContact CD2-ND1 3.97Å; H185-H189 AromaticContact CE1-ND1 3.87Å; H185-H189 AromaticContact NE2-CE1 3.67Å; H185-H189 AromaticContact NE2-ND1 3.82Å; H185-H189 PolarHBondContact O-N 3.07Å; H185-H189 PolarHBondContact O-ND1 3.11Å; H185-S336 PolarHBondContact ND1-OG 3.36Å |
| 186 | D | 87.1 | Confident | 76.7 | Confident | 10 Ų | 10 | 85 Ų | 85 | 5% | 0.053 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 179.6 | -71 | -21.2 | 0 | 0 | 0 | 112.5 | A182 I183 R188 H189 R190 Y334 P335 S336 | A182-D186 PolarHBondContact O-N 2.96Å; I183-D186 PolarHBondContact O-N 2.98Å; D186-R188 VanDerWaalsContact C-N 3.25Å; D186-R188 PolarHBondContact O-N 2.95Å; D186-H189 CarbonylContact O-C 3.39Å; D186-H189 PolarHBondContact O-N 2.9Å; D186-R190 PolarHBondContact O-N 2.6Å; D186-Y334 HydrophobicContact CB-CD1 4.23Å; D186-Y334 WeakPolarHBondContact OD2-CA 3.31Å; D186-Y334 WeakPolarHBondContact OD2-CB 3.37Å; D186-P335 WeakPolarHBondContact OD2-CD 3.18Å; D186-P335 VanDerWaalsContact OD2-N 3.13Å; D186-S336 WeakPolarHBondContact OD1-CB 3.37Å; D186-S336 PolarHBondContact OD1-N 3.4Å; D186-S336 PolarHBondContact OD1-OG 2.92Å; D186-S336 VanDerWaalsContact OD2-CB 3.31Å; D186-S336 WeakPolarHBondContact OD2-CB 3.4Å; D186-S336 PolarHBondContact OD2-N 2.91Å |
| 187 | L | 86.7 | Confident | 74.5 | Confident | 84 Ų | 84 | 85.6 Ų | 85.6 | 44% | 0.44 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.1 | -29.2 | 177.1 | -71.8 | 174 | 0 | 0 | 0 | 112.9 | I183 H185 Y334 | I183-L187 HydrophobicContact CG2-CD1 3.82Å; I183-L187 HydrophobicContact CG2-CG 4.29Å; I183-L187 WeakPolarHBondContact O-CB 3.44Å; I183-L187 VanDerWaalsContact O-CG 3.26Å; I183-L187 WeakPolarHBondContact O-CG 3.43Å; I183-L187 PolarHBondContact O-N 3.16Å; H185-L187 PolarHBondContact O-N 2.96Å; L187-Y334 HydrophobicContact CD2-CE1 4.29Å; L187-Y334 HydrophobicContact CG-CE1 4.37Å |
| 188 | R | 85.7 | Confident | 72.3 | Confident | 198 Ų | 198 | 87 Ų | 87 | 75% | 0.747 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -81.5 | -23.7 | 178.1 | -74.5 | 177.2 | -179.2 | -173.7 | 1.6 | 113.6 | T184 H185 D186 | T184-R188 VanDerWaalsContact O-CG 3.29Å; T184-R188 WeakPolarHBondContact O-CG 3.34Å; T184-R188 PolarHBondContact O-N 2.87Å; H185-R188 PolarHBondContact O-N 3.49Å; D186-R188 VanDerWaalsContact C-N 3.25Å; D186-R188 PolarHBondContact O-N 2.95Å |
| 189 | H | 77.4 | Confident | 70.3 | Confident | 85 Ų | 85 | 87.9 Ų | 87.9 | 39% | 0.394 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 32.7 | -177.5 | -57.8 | 86.5 | 0 | 0 | 0 | 111.8 | H185 D186 D191 E192 | H185-H189 AromaticContact CD2-CE1 3.83Å; H185-H189 AromaticContact CD2-ND1 3.97Å; H185-H189 AromaticContact CE1-ND1 3.87Å; H185-H189 AromaticContact NE2-CE1 3.67Å; H185-H189 AromaticContact NE2-ND1 3.82Å; H185-H189 PolarHBondContact O-N 3.07Å; H185-H189 PolarHBondContact O-ND1 3.11Å; D186-H189 CarbonylContact O-C 3.39Å; D186-H189 PolarHBondContact O-N 2.9Å; H189-D191 VanDerWaalsContact C-N 3.28Å; H189-D191 PolarHBondContact O-N 2.73Å; H189-E192 PolarHBondContact O-N 3.01Å |
| 190 | R | 67 | Low | 68.5 | Low | 177 Ų | 177 | 91.2 Ų | 91.2 | 67% | 0.668 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -69 | -24.4 | -169.4 | -151.2 | 173.5 | 179.3 | -178.4 | -3.3 | 113.5 | D186 E192 | D186-R190 PolarHBondContact O-N 2.6Å; R190-E192 VanDerWaalsContact C-N 3.3Å; R190-E192 PolarHBondContact O-N 2.82Å |
| 191 | D | 55.4 | Low | 66.7 | Low | 170 Ų | 170 | 93.4 Ų | 93.4 | 91% | 0.909 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -75.3 | -10.8 | -178.6 | -69.7 | -21.1 | 0 | 0 | 0 | 114.1 | H189 | H189-D191 VanDerWaalsContact C-N 3.28Å; H189-D191 PolarHBondContact O-N 2.73Å |
| 192 | E | 53.8 | Low | 65.1 | Low | 164 Ų | 164 | 95.2 Ų | 95.2 | 77% | 0.766 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -101.9 | -10.4 | 179.6 | -75.8 | -176.8 | 160.8 | 0 | 0 | 114.6 | H189 R190 | H189-E192 PolarHBondContact O-N 3.01Å; R190-E192 VanDerWaalsContact C-N 3.3Å; R190-E192 PolarHBondContact O-N 2.82Å |
| 193 | N | 52.1 | Low | 64.2 | Low | 92 Ų | 92 | 97.8 Ų | 97.8 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | trans | -110.7 | 7.5 | -167.7 | -76.7 | -49.4 | 0 | 0 | 0 | 115.4 | I195 | N193-I195 PolarHBondContact O-N 3.22Š| ||
| 194 | D | 43.5 | Very low | 63.3 | Low | 147 Ų | 147 | 100.7 Ų | 100.7 | 79% | 0.786 | 52% | 0.524 | S | S | * | . | trans | -77.1 | 114.1 | 170.9 | -97.8 | -15.4 | 0 | 0 | 0 | 109.3 | ||||
| 195 | I | 45.5 | Very low | 62.7 | Low | 160 Ų | 160 | 103.9 Ų | 103.9 | 82% | 0.821 | 54% | 0.535 | S | S | * | . | trans | 135.7 | 89.9 | 157.4 | -64.7 | 151.4 | 0 | 0 | 0 | 108.9 | N193 | N193-I195 PolarHBondContact O-N 3.22Š| ||
| 196 | D | 47.6 | Very low | 62.4 | Low | 120 Ų | 120 | 103.9 Ų | 103.9 | 64% | 0.642 | 53% | 0.532 | S | S | * | . | trans | -152.8 | 75.1 | 140 | -134.9 | -14.1 | 0 | 0 | 0 | 112.2 | S198 G199 | D196-S198 PolarHBondContact O-N 3.02Å; D196-S198 PolarHBondContact OD1-OG 3.47Å; D196-G199 PolarHBondContact O-N 3.49Å | ||
| 197 | A | 45.1 | Very low | 62.2 | Low | 88 Ų | 88 | 103.7 Ų | 103.7 | 73% | 0.727 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -11.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 198 | S | 47.4 | Very low | 62.2 | Low | 71 Ų | 71 | 103.3 Ų | 103.3 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.4 | -31.2 | 176.6 | 76.9 | 0 | 0 | 0 | 0 | 113 | D196 L200 | D196-S198 PolarHBondContact O-N 3.02Å; D196-S198 PolarHBondContact OD1-OG 3.47Å; S198-L200 VanDerWaalsContact C-N 3.31Å; S198-L200 PolarHBondContact O-N 2.91Å |
| 199 | G | 50.8 | Low | 62.2 | Low | 20 Ų | 20 | 96.9 Ų | 96.9 | 21% | 0.206 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -66.8 | -28.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D196 S201 F203 | D196-G199 PolarHBondContact O-N 3.49Å; G199-S201 PolarHBondContact O-N 2.9Å; G199-F203 WeakPolarHBondContact O-CD2 3.39Å; G199-F203 WeakPolarHBondContact O-CG 3.2Å; G199-F203 PolarHBondContact O-N 2.83Å; G199-F203 VanDerWaalsContact O-N 3.09Å |
| 200 | L | 51.9 | Low | 62.9 | Low | 108 Ų | 108 | 92.8 Ų | 92.8 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.8 | -39.4 | -178.7 | -86 | 151.1 | 0 | 0 | 0 | 112.9 | S198 E204 | S198-L200 VanDerWaalsContact C-N 3.31Å; S198-L200 PolarHBondContact O-N 2.91Å; L200-E204 WeakPolarHBondContact O-CB 3.32Å; L200-E204 PolarHBondContact O-N 2.81Å; L200-E204 VanDerWaalsContact O-N 3.12Å |
| 201 | S | 52.9 | Low | 64 | Low | 79 Ų | 79 | 87.7 Ų | 87.7 | 55% | 0.552 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -72 | -38.9 | -179 | 93.9 | 0 | 0 | 0 | 0 | 111.7 | G199 F203 E204 E205 | G199-S201 PolarHBondContact O-N 2.9Å; S201-F203 PolarHBondContact O-N 3.41Å; S201-E204 PolarHBondContact O-N 2.79Å; S201-E205 PolarHBondContact O-N 3.3Å; S201-E205 VanDerWaalsContact O-N 3.1Å |
| 202 | V | 60.2 | Low | 65.7 | Low | 54 Ų | 54 | 88 Ų | 88 | 33% | 0.327 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 177.4 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | E204 R206 | V202-E204 VanDerWaalsContact C-N 3.35Å; V202-R206 VanDerWaalsContact CG1-NH1 3.29Å; V202-R206 WeakPolarHBondContact O-CB 3.27Å; V202-R206 WeakPolarHBondContact O-CD 3.46Å; V202-R206 VanDerWaalsContact O-CG 3.3Å; V202-R206 WeakPolarHBondContact O-CG 3.42Å; V202-R206 PolarHBondContact O-N 3.4Å |
| 203 | F | 68.6 | Low | 67.6 | Low | 54 Ų | 54 | 81.5 Ų | 81.5 | 24% | 0.237 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -68 | -34.7 | 175 | -68.9 | -47.9 | 0 | 0 | 0 | 112.4 | G199 S201 T207 L283 | G199-F203 WeakPolarHBondContact O-CD2 3.39Å; G199-F203 WeakPolarHBondContact O-CG 3.2Å; G199-F203 PolarHBondContact O-N 2.83Å; G199-F203 VanDerWaalsContact O-N 3.09Å; S201-F203 PolarHBondContact O-N 3.41Å; F203-T207 VanDerWaalsContact O-CB 3.25Å; F203-T207 WeakPolarHBondContact O-CB 3.34Å; F203-T207 PolarHBondContact O-N 3.28Å; F203-T207 PolarHBondContact O-OG1 3.44Å; F203-L283 HydrophobicContact CD1-CB 3.72Å; F203-L283 WeakPolarHBondContact CD1-O 3.17Å; F203-L283 HydrophobicContact CE1-CB 4.07Å |
| 204 | E | 70.9 | Confident | 69.5 | Low | 100 Ų | 100 | 78.6 Ų | 78.6 | 47% | 0.467 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.8 | -41.7 | -178.7 | -156.2 | 159 | -129.5 | 0 | 0 | 112.1 | L200 S201 V202 T207 S208 R325 | L200-E204 WeakPolarHBondContact O-CB 3.32Å; L200-E204 PolarHBondContact O-N 2.81Å; L200-E204 VanDerWaalsContact O-N 3.12Å; S201-E204 PolarHBondContact O-N 2.79Å; V202-E204 VanDerWaalsContact C-N 3.35Å; E204-T207 PolarHBondContact O-N 3.05Å; E204-S208 WeakPolarHBondContact O-CB 3.24Å; E204-S208 PolarHBondContact O-N 2.9Å; E204-R325 IonicContact OE1-CZ 3.34Å; E204-R325 IonicContact OE1-NE 3.46Å; E204-R325 PolarHBondContact OE1-NE 3Å; E204-R325 IonicContact OE1-NH2 2.62Å; E204-R325 PolarHBondContact OE1-NH2 3.44Å |
| 205 | E | 77.8 | Confident | 72 | Confident | 128 Ų | 128 | 75.6 Ų | 75.6 | 60% | 0.598 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.7 | -48.5 | 173.7 | -168.6 | -168.1 | 156.7 | 0 | 0 | 111.8 | S201 T207 S208 R209 | S201-E205 PolarHBondContact O-N 3.3Å; S201-E205 VanDerWaalsContact O-N 3.1Å; E205-T207 PolarHBondContact O-N 3.41Å; E205-S208 WeakPolarHBondContact O-CB 3.44Å; E205-S208 PolarHBondContact O-N 3.45Å; E205-R209 PolarHBondContact O-N 3.15Å; E205-R209 VanDerWaalsContact O-N 3.07Å; E205-R209 IonicContact OE1-NH2 2.9Å |
| 206 | R | 83.3 | Confident | 74.3 | Confident | 73 Ų | 73 | 72.2 Ų | 72.2 | 28% | 0.275 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 179.8 | -71.5 | 173.2 | 178.5 | 168 | -5.5 | 112.2 | V202 R209 I210 L283 A284 G286 | V202-R206 VanDerWaalsContact CG1-NH1 3.29Å; V202-R206 WeakPolarHBondContact O-CB 3.27Å; V202-R206 WeakPolarHBondContact O-CD 3.46Å; V202-R206 VanDerWaalsContact O-CG 3.3Å; V202-R206 WeakPolarHBondContact O-CG 3.42Å; V202-R206 PolarHBondContact O-N 3.4Å; R206-R209 WeakPolarHBondContact O-CB 3.34Å; R206-R209 PolarHBondContact O-N 3.47Å; R206-I210 PolarHBondContact O-N 2.85Å; R206-L283 VanDerWaalsContact CB-O 3.31Å; R206-L283 WeakPolarHBondContact CB-O 3.26Å; R206-L283 WeakPolarHBondContact CD-O 3.14Å; R206-A284 WeakPolarHBondContact CD-O 3.24Å; R206-A284 PolarHBondContact NE-O 3.4Å; R206-A284 PolarHBondContact NH1-O 2.93Å; R206-G286 WeakPolarHBondContact O-CA 3.43Å |
| 207 | T | 83.5 | Confident | 76.6 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 174.4 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | F203 E204 E205 R209 I210 I211 L283 R325 | F203-T207 VanDerWaalsContact O-CB 3.25Å; F203-T207 WeakPolarHBondContact O-CB 3.34Å; F203-T207 PolarHBondContact O-N 3.28Å; F203-T207 PolarHBondContact O-OG1 3.44Å; E204-T207 PolarHBondContact O-N 3.05Å; E205-T207 PolarHBondContact O-N 3.41Å; T207-R209 VanDerWaalsContact C-N 3.28Å; T207-R209 PolarHBondContact O-N 3.17Å; T207-I210 PolarHBondContact O-N 2.78Å; T207-I210 VanDerWaalsContact O-N 3.13Å; T207-I211 HydrophobicContact CG2-CD1 4Å; T207-I211 HydrophobicContact CG2-CG1 4.48Å; T207-I211 WeakPolarHBondContact O-CG1 3.48Å; T207-I211 PolarHBondContact O-N 3.11Å; T207-L283 WeakPolarHBondContact OG1-CD2 3.4Å; T207-R325 HydrophobicContact CG2-CB 4.36Å |
| 208 | S | 85.3 | Confident | 79 | Confident | 75 Ų | 75 | 63 Ų | 63 | 52% | 0.524 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.8 | -38.6 | 176.8 | -174 | 0 | 0 | 0 | 0 | 112 | E204 E205 I210 I211 K212 | E204-S208 WeakPolarHBondContact O-CB 3.24Å; E204-S208 PolarHBondContact O-N 2.9Å; E205-S208 WeakPolarHBondContact O-CB 3.44Å; E205-S208 PolarHBondContact O-N 3.45Å; S208-I210 VanDerWaalsContact C-N 3.34Å; S208-I210 PolarHBondContact O-N 3Å; S208-I211 PolarHBondContact O-N 3.45Å; S208-K212 WeakPolarHBondContact O-CB 3.42Å; S208-K212 PolarHBondContact O-N 3.4Å |
| 209 | R | 87 | Confident | 81.4 | Confident | 63 Ų | 63 | 63.6 Ų | 63.6 | 24% | 0.238 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 174.5 | -170.1 | -178.5 | -64.6 | -180 | 0.1 | 112.7 | I25 E205 R206 T207 N213 | I25-R209 VanDerWaalsContact CD1-NH1 3.31Å; E205-R209 PolarHBondContact O-N 3.15Å; E205-R209 VanDerWaalsContact O-N 3.07Å; E205-R209 IonicContact OE1-NH2 2.9Å; R206-R209 WeakPolarHBondContact O-CB 3.34Å; R206-R209 PolarHBondContact O-N 3.47Å; T207-R209 VanDerWaalsContact C-N 3.28Å; T207-R209 PolarHBondContact O-N 3.17Å; R209-N213 PolarHBondContact O-N 3.43Å; R209-N213 PolarHBondContact O-ND2 3.13Å |
| 210 | I | 90.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.7 | -47.6 | 176.2 | -61.6 | 171.3 | 0 | 0 | 0 | 109.9 | R206 T207 S208 K212 N213 L214 I217 A282 G286 Y288 V321 L324 | R206-I210 PolarHBondContact O-N 2.85Å; T207-I210 PolarHBondContact O-N 2.78Å; T207-I210 VanDerWaalsContact O-N 3.13Å; S208-I210 VanDerWaalsContact C-N 3.34Å; S208-I210 PolarHBondContact O-N 3Å; I210-K212 VanDerWaalsContact C-N 3.28Å; I210-K212 PolarHBondContact O-N 2.87Å; I210-N213 CarbonylContact O-C 3.6Å; I210-N213 PolarHBondContact O-N 2.87Å; I210-L214 PolarHBondContact O-N 3.04Å; I210-I217 HydrophobicContact CG2-CD1 4Å; I210-A282 HydrophobicContact CD1-CB 4.03Å; I210-G286 WeakPolarHBondContact CG1-O 3.43Å; I210-Y288 HydrophobicContact CG2-CG 4.17Å; I210-V321 HydrophobicContact CG2-CG1 3.74Å; I210-V321 HydrophobicContact CG2-CG2 4.23Å; I210-L324 HydrophobicContact CD1-CD1 4.09Å; I210-L324 HydrophobicContact CG2-CD1 4.18Å |
| 211 | I | 90.8 | Very high | 85.6 | Confident | 70 Ų | 70 | 57.6 Ų | 57.6 | 36% | 0.359 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.1 | -38.3 | 179.3 | -66.7 | 170.4 | 0 | 0 | 0 | 111.3 | T207 S208 N213 L214 V321 | T207-I211 HydrophobicContact CG2-CD1 4Å; T207-I211 HydrophobicContact CG2-CG1 4.48Å; T207-I211 WeakPolarHBondContact O-CG1 3.48Å; T207-I211 PolarHBondContact O-N 3.11Å; S208-I211 PolarHBondContact O-N 3.45Å; I211-N213 PolarHBondContact O-N 3.48Å; I211-L214 WeakPolarHBondContact O-CB 3.42Å; I211-L214 PolarHBondContact O-N 3.18Å; I211-V321 HydrophobicContact CG1-CG1 4.14Å |
| 212 | K | 91.3 | Very high | 87.7 | Confident | 175 Ų | 175 | 54.6 Ų | 54.6 | 76% | 0.761 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61 | -31.8 | 176.3 | -171.6 | 177.5 | -179.5 | 179.3 | 0 | 112.8 | S208 I210 | S208-K212 WeakPolarHBondContact O-CB 3.42Å; S208-K212 PolarHBondContact O-N 3.4Å; I210-K212 VanDerWaalsContact C-N 3.28Å; I210-K212 PolarHBondContact O-N 2.87Å |
| 213 | N | 93 | Very high | 89.4 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 1.2 | 177 | -71.8 | -71 | 0 | 0 | 0 | 113.4 | A10 R209 I210 I211 P215 Y216 I217 | A10-N213 HydrophobicContact CB-CB 3.82Å; R209-N213 PolarHBondContact O-N 3.43Å; R209-N213 PolarHBondContact O-ND2 3.13Å; I210-N213 CarbonylContact O-C 3.6Å; I210-N213 PolarHBondContact O-N 2.87Å; I211-N213 PolarHBondContact O-N 3.48Å; N213-P215 VanDerWaalsContact C-CD 3.4Å; N213-P215 VanDerWaalsContact C-N 3.33Å; N213-Y216 PolarHBondContact O-N 3.05Å; N213-I217 HydrophobicContact CB-CD1 4.06Å; N213-I217 HydrophobicContact CB-CG1 4.35Å; N213-I217 WeakPolarHBondContact O-CG1 3.42Å; N213-I217 PolarHBondContact O-N 3.05Å; N213-I217 VanDerWaalsContact O-N 3.11Å |
| 214 | L | 93.5 | Very high | 90.7 | Very high | 30 Ų | 30 | 54 Ų | 54 | 16% | 0.157 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -49.4 | -42.4 | -176.3 | -176.7 | 59.5 | 0 | 0 | 0 | 114.2 | I210 I211 Y216 I217 A218 V321 | I210-L214 PolarHBondContact O-N 3.04Å; I211-L214 WeakPolarHBondContact O-CB 3.42Å; I211-L214 PolarHBondContact O-N 3.18Å; L214-Y216 VanDerWaalsContact C-N 3.3Å; L214-Y216 PolarHBondContact O-N 3.42Å; L214-I217 PolarHBondContact O-N 2.88Å; L214-A218 VanDerWaalsContact O-CB 3.26Å; L214-A218 WeakPolarHBondContact O-CB 3.45Å; L214-A218 PolarHBondContact O-N 2.8Å; L214-V321 HydrophobicContact CD1-CB 3.7Å; L214-V321 HydrophobicContact CD1-CG1 3.79Å; L214-V321 HydrophobicContact CD1-CG2 3.91Å |
| 215 | P | 94.5 | Very high | 91.9 | Very high | 84 Ų | 84 | 49.2 Ų | 49.2 | 55% | 0.545 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.9 | -41.3 | 178.3 | -25.7 | 35.6 | 0 | 0 | 0 | 113.1 | N213 I219 | N213-P215 VanDerWaalsContact C-CD 3.4Å; N213-P215 VanDerWaalsContact C-N 3.33Å; P215-I219 WeakPolarHBondContact O-CD1 3.42Å; P215-I219 VanDerWaalsContact O-CG1 3.25Å; P215-I219 WeakPolarHBondContact O-CG1 3.5Å; P215-I219 PolarHBondContact O-N 3.3Å; P215-I219 VanDerWaalsContact O-N 3.12Å |
| 216 | Y | 94.5 | Very high | 92.7 | Very high | 90 Ų | 90 | 43.8 Ų | 43.8 | 35% | 0.353 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -73.7 | -37.2 | 179 | -62.4 | -77.4 | 0 | 0 | 0 | 112.1 | M1 R8 N213 L214 I219 V220 | M1-Y216 HydrophobicContact CE-CD1 4.2Å; R8-Y216 VanDerWaalsContact NH1-CE2 3.32Å; R8-Y216 PolarHBondContact NH1-OH 3.46Å; N213-Y216 PolarHBondContact O-N 3.05Å; L214-Y216 VanDerWaalsContact C-N 3.3Å; L214-Y216 PolarHBondContact O-N 3.42Å; Y216-I219 PolarHBondContact O-N 3.15Å; Y216-V220 PolarHBondContact O-N 3.36Å; Y216-V220 VanDerWaalsContact O-N 3.16Å |
| 217 | I | 95.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.5 | -42.5 | 177.1 | -58.6 | 172.1 | 0 | 0 | 0 | 109.7 | L5 I210 N213 L214 I219 V220 G221 Y288 I317 V321 | L5-I217 HydrophobicContact CD1-CG1 4.36Å; L5-I217 HydrophobicContact CD2-CG1 4.34Å; I210-I217 HydrophobicContact CG2-CD1 4Å; N213-I217 HydrophobicContact CB-CD1 4.06Å; N213-I217 HydrophobicContact CB-CG1 4.35Å; N213-I217 WeakPolarHBondContact O-CG1 3.42Å; N213-I217 PolarHBondContact O-N 3.05Å; N213-I217 VanDerWaalsContact O-N 3.11Å; L214-I217 PolarHBondContact O-N 2.88Å; I217-I219 PolarHBondContact O-N 3.27Å; I217-V220 PolarHBondContact O-N 3.17Å; I217-V220 VanDerWaalsContact O-N 3.15Å; I217-G221 PolarHBondContact O-N 3.26Å; I217-Y288 HydrophobicContact CG2-CD1 3.88Å; I217-Y288 HydrophobicContact CG2-CE1 4.46Å; I217-I317 HydrophobicContact CG2-CG2 3.6Å; I217-V321 HydrophobicContact CG2-CG2 4.46Å |
| 218 | A | 96.1 | Very high | 93.7 | Very high | 13 Ų | 13 | 42.1 Ų | 42.1 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L214 V220 G221 A222 | L214-A218 VanDerWaalsContact O-CB 3.26Å; L214-A218 WeakPolarHBondContact O-CB 3.45Å; L214-A218 PolarHBondContact O-N 2.8Å; A218-V220 VanDerWaalsContact C-N 3.3Å; A218-V220 PolarHBondContact O-N 3.13Å; A218-G221 PolarHBondContact O-N 2.88Å; A218-A222 PolarHBondContact O-N 3.33Å |
| 219 | I | 96.3 | Very high | 94.2 | Very high | 83 Ų | 83 | 39.5 Ų | 39.5 | 43% | 0.426 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.1 | -42.2 | 172.9 | -70.4 | 163.7 | 0 | 0 | 0 | 110.7 | M1 P215 Y216 I217 A222 L223 | M1-I219 HydrophobicContact CE-CG2 4.02Å; P215-I219 WeakPolarHBondContact O-CD1 3.42Å; P215-I219 VanDerWaalsContact O-CG1 3.25Å; P215-I219 WeakPolarHBondContact O-CG1 3.5Å; P215-I219 PolarHBondContact O-N 3.3Å; P215-I219 VanDerWaalsContact O-N 3.12Å; Y216-I219 PolarHBondContact O-N 3.15Å; I217-I219 PolarHBondContact O-N 3.27Å; I219-A222 WeakPolarHBondContact O-CB 3.36Å; I219-A222 PolarHBondContact O-N 3.28Å; I219-L223 HydrophobicContact CG2-CD1 4.1Å; I219-L223 WeakPolarHBondContact O-CG 3.47Å; I219-L223 PolarHBondContact O-N 3.49Å |
| 220 | V | 95.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.6 | -42.5 | 176.4 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | M1 T2 L5 Y216 I217 A218 A222 L223 I224 V290 | M1-V220 HydrophobicContact CB-CG2 3.58Å; T2-V220 HydrophobicContact CG2-CG1 3.93Å; L5-V220 HydrophobicContact CD1-CB 3.96Å; L5-V220 HydrophobicContact CD1-CG1 4.34Å; L5-V220 HydrophobicContact CD1-CG2 3.52Å; L5-V220 HydrophobicContact CG-CG2 4.24Å; Y216-V220 PolarHBondContact O-N 3.36Å; Y216-V220 VanDerWaalsContact O-N 3.16Å; I217-V220 PolarHBondContact O-N 3.17Å; I217-V220 VanDerWaalsContact O-N 3.15Å; A218-V220 VanDerWaalsContact C-N 3.3Å; A218-V220 PolarHBondContact O-N 3.13Å; V220-A222 VanDerWaalsContact C-N 3.29Å; V220-A222 PolarHBondContact O-N 2.9Å; V220-L223 PolarHBondContact O-N 3.42Å; V220-I224 HydrophobicContact CG1-CD1 3.69Å; V220-I224 HydrophobicContact CG1-CG1 4.21Å; V220-I224 VanDerWaalsContact O-CG1 3.28Å; V220-I224 WeakPolarHBondContact O-CG1 3.45Å; V220-I224 PolarHBondContact O-N 3.44Å; V220-V290 HydrophobicContact CG1-CG1 3.89Å |
| 221 | G | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -54.1 | -45.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I217 A218 I224 A225 V296 | I217-G221 PolarHBondContact O-N 3.26Å; A218-G221 PolarHBondContact O-N 2.88Å; G221-I224 PolarHBondContact O-N 3.47Å; G221-A225 PolarHBondContact O-N 3Å; G221-V296 VanDerWaalsContact O-CG2 3.24Å; G221-V296 WeakPolarHBondContact O-CG2 3.49Å |
| 222 | A | 96.9 | Very high | 94.3 | Very high | 17 Ų | 17 | 46.4 Ų | 46.4 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.6 | -49.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A218 I219 V220 I224 A225 A226 A310 A314 | A218-A222 PolarHBondContact O-N 3.33Å; I219-A222 WeakPolarHBondContact O-CB 3.36Å; I219-A222 PolarHBondContact O-N 3.28Å; V220-A222 VanDerWaalsContact C-N 3.29Å; V220-A222 PolarHBondContact O-N 2.9Å; A222-I224 PolarHBondContact O-N 3.02Å; A222-A225 PolarHBondContact O-N 3.3Å; A222-A226 VanDerWaalsContact O-CB 3.31Å; A222-A226 WeakPolarHBondContact O-CB 3.29Å; A222-A226 PolarHBondContact O-N 2.9Å; A222-A310 VanDerWaalsContact CA-O 3.24Å; A222-A310 WeakPolarHBondContact CA-O 3.49Å; A222-A310 HydrophobicContact CB-CB 4.11Å; A222-A310 WeakPolarHBondContact CB-O 3.33Å; A222-A310 WeakPolarHBondContact O-CA 3.5Å; A222-A314 HydrophobicContact CB-CB 4.06Å |
| 223 | L | 95.8 | Very high | 94.4 | Very high | 87 Ų | 87 | 38.1 Ų | 38.1 | 46% | 0.455 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.7 | -39.7 | -178.9 | -68.2 | 172.2 | 0 | 0 | 0 | 112.2 | M1 I219 V220 A226 V227 | M1-L223 HydrophobicContact CB-CD1 4.19Å; M1-L223 HydrophobicContact CG-CD1 3.82Å; I219-L223 HydrophobicContact CG2-CD1 4.1Å; I219-L223 WeakPolarHBondContact O-CG 3.47Å; I219-L223 PolarHBondContact O-N 3.49Å; V220-L223 PolarHBondContact O-N 3.42Å; L223-A226 PolarHBondContact O-N 3.44Å; L223-V227 WeakPolarHBondContact O-CB 3.46Å; L223-V227 VanDerWaalsContact O-CG2 3.28Å; L223-V227 WeakPolarHBondContact O-CG2 3.47Å; L223-V227 PolarHBondContact O-N 3.34Å |
| 224 | I | 95.5 | Very high | 94.4 | Very high | 8 Ų | 8 | 36.8 Ų | 36.8 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.3 | -49.1 | 177.9 | -69.2 | 174.3 | 0 | 0 | 0 | 110.5 | F66 V220 G221 A222 A226 V227 A228 F233 V290 A291 V296 Y297 | F66-I224 HydrophobicContact CE1-CD1 4.48Å; F66-I224 HydrophobicContact CE1-CG1 4.35Å; F66-I224 HydrophobicContact CE2-CD1 4.15Å; F66-I224 HydrophobicContact CE2-CG1 4.47Å; F66-I224 HydrophobicContact CZ-CD1 3.85Å; F66-I224 HydrophobicContact CZ-CG1 3.76Å; V220-I224 HydrophobicContact CG1-CD1 3.69Å; V220-I224 HydrophobicContact CG1-CG1 4.21Å; V220-I224 VanDerWaalsContact O-CG1 3.28Å; V220-I224 WeakPolarHBondContact O-CG1 3.45Å; V220-I224 PolarHBondContact O-N 3.44Å; G221-I224 PolarHBondContact O-N 3.47Å; A222-I224 PolarHBondContact O-N 3.02Å; I224-A226 VanDerWaalsContact C-N 3.33Å; I224-A226 PolarHBondContact O-N 2.99Å; I224-V227 PolarHBondContact O-N 3.4Å; I224-A228 WeakPolarHBondContact O-CB 3.2Å; I224-A228 PolarHBondContact O-N 2.9Å; I224-F233 HydrophobicContact CG2-CE1 4.38Å; I224-V290 HydrophobicContact CD1-CG1 3.83Å; I224-A291 HydrophobicContact CD1-CB 4.3Å; I224-V296 HydrophobicContact CB-CG2 4.3Å; I224-V296 HydrophobicContact CG2-CG1 3.81Å; I224-V296 HydrophobicContact CG2-CG2 4.18Å; I224-Y297 HydrophobicContact CG2-CD1 3.7Å; I224-Y297 HydrophobicContact CG2-CE1 3.46Å; I224-Y297 VanDerWaalsContact CG2-CE1 3.46Å |
| 225 | A | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | G221 A222 A228 S229 V296 G300 A309 | G221-A225 PolarHBondContact O-N 3Å; A222-A225 PolarHBondContact O-N 3.3Å; A225-A228 PolarHBondContact O-N 3.04Å; A225-S229 PolarHBondContact O-N 3.09Å; A225-V296 HydrophobicContact CB-CG2 3.8Å; A225-G300 WeakPolarHBondContact O-CA 3.33Å; A225-A309 HydrophobicContact CB-CB 4.28Å; A225-A309 WeakPolarHBondContact CB-O 3.49Å; A225-A309 WeakPolarHBondContact O-CB 3.35Å |
| 226 | A | 96.4 | Very high | 93.6 | Very high | 14 Ų | 14 | 31.6 Ų | 31.6 | 12% | 0.116 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.8 | -50.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A222 L223 I224 A228 S229 M230 P306 A310 | A222-A226 VanDerWaalsContact O-CB 3.31Å; A222-A226 WeakPolarHBondContact O-CB 3.29Å; A222-A226 PolarHBondContact O-N 2.9Å; L223-A226 PolarHBondContact O-N 3.44Å; I224-A226 VanDerWaalsContact C-N 3.33Å; I224-A226 PolarHBondContact O-N 2.99Å; A226-A228 PolarHBondContact O-N 3.09Å; A226-S229 PolarHBondContact O-N 2.94Å; A226-S229 VanDerWaalsContact O-N 3.16Å; A226-S229 PolarHBondContact O-OG 2.83Å; A226-M230 WeakPolarHBondContact O-CG 3.43Å; A226-M230 PolarHBondContact O-N 2.85Å; A226-P306 HydrophobicContact CB-CB 4.3Å; A226-A310 HydrophobicContact CB-CB 4.19Å |
| 227 | V | 93.8 | Very high | 92.8 | Very high | 43 Ų | 43 | 27.6 Ų | 27.6 | 26% | 0.261 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -65.4 | -38 | -179.7 | 169.8 | 0 | 0 | 0 | 0 | 111.8 | L223 I224 S229 M230 I232 F233 | L223-V227 WeakPolarHBondContact O-CB 3.46Å; L223-V227 VanDerWaalsContact O-CG2 3.28Å; L223-V227 WeakPolarHBondContact O-CG2 3.47Å; L223-V227 PolarHBondContact O-N 3.34Å; I224-V227 PolarHBondContact O-N 3.4Å; V227-S229 VanDerWaalsContact C-N 3.31Å; V227-S229 PolarHBondContact O-N 2.82Å; V227-M230 WeakPolarHBondContact O-CB 3.47Å; V227-M230 PolarHBondContact O-N 3.19Å; V227-M230 VanDerWaalsContact O-N 3.16Å; V227-I232 HydrophobicContact CG1-CD1 4.13Å; V227-I232 HydrophobicContact CG1-CG1 4.08Å; V227-F233 HydrophobicContact CG1-CB 3.54Å; V227-F233 HydrophobicContact CG1-CG 4.03Å |
| 228 | A | 94 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.8 | -38.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I224 A225 A226 M230 F233 Y301 | I224-A228 WeakPolarHBondContact O-CB 3.2Å; I224-A228 PolarHBondContact O-N 2.9Å; A225-A228 PolarHBondContact O-N 3.04Å; A226-A228 PolarHBondContact O-N 3.09Å; A228-M230 VanDerWaalsContact C-N 3.27Å; A228-M230 PolarHBondContact O-N 3.29Å; A228-F233 HydrophobicContact CB-CD1 4.05Å; A228-Y301 HydrophobicContact CB-CD1 3.91Å; A228-Y301 HydrophobicContact CB-CE1 3.85Å |
| 229 | S | 94.3 | Very high | 91.7 | Very high | 21 Ų | 21 | 27 Ų | 27 | 15% | 0.147 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -71.5 | -19.7 | 176.7 | 77.8 | 0 | 0 | 0 | 0 | 114 | A225 A226 V227 K231 G300 P306 | A225-S229 PolarHBondContact O-N 3.09Å; A226-S229 PolarHBondContact O-N 2.94Å; A226-S229 VanDerWaalsContact O-N 3.16Å; A226-S229 PolarHBondContact O-OG 2.83Å; V227-S229 VanDerWaalsContact C-N 3.31Å; V227-S229 PolarHBondContact O-N 2.82Å; S229-K231 PolarHBondContact O-N 3.43Å; S229-G300 WeakPolarHBondContact CA-O 3.43Å; S229-G300 VanDerWaalsContact CB-O 3.24Å; S229-G300 WeakPolarHBondContact CB-O 3.44Å; S229-P306 WeakPolarHBondContact OG-CA 3.19Å |
| 230 | M | 92.9 | Very high | 91.3 | Very high | 102 Ų | 102 | 23.1 Ų | 23.1 | 50% | 0.502 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 3.2 | -179.9 | -70 | 173.5 | 68.1 | 0 | 0 | 113.5 | A226 V227 A228 I232 P306 | A226-M230 WeakPolarHBondContact O-CG 3.43Å; A226-M230 PolarHBondContact O-N 2.85Å; V227-M230 WeakPolarHBondContact O-CB 3.47Å; V227-M230 PolarHBondContact O-N 3.19Å; V227-M230 VanDerWaalsContact O-N 3.16Å; A228-M230 VanDerWaalsContact C-N 3.27Å; A228-M230 PolarHBondContact O-N 3.29Å; M230-I232 HydrophobicContact CB-CD1 4.34Å; M230-I232 HydrophobicContact CB-CG1 4.01Å; M230-I232 HydrophobicContact CE-CD1 4.41Å; M230-I232 PolarHBondContact O-N 3.04Å; M230-P306 HydrophobicContact CG-CB 4.2Å; M230-P306 HydrophobicContact CG-CG 3.66Å |
| 231 | K | 89.2 | Confident | 90.6 | Very high | 118 Ų | 118 | 24.6 Ų | 24.6 | 51% | 0.513 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 22 | 179.3 | -50 | -176.6 | 179.6 | -176 | 0 | 114.9 | L59 S229 Y247 | L59-K231 WeakPolarHBondContact CD2-O 3.34Å; S229-K231 PolarHBondContact O-N 3.43Å; K231-Y247 HydrophobicContact CB-CD1 4.39Å; K231-Y247 HydrophobicContact CB-CD2 4.06Å; K231-Y247 HydrophobicContact CB-CE1 4.1Å; K231-Y247 HydrophobicContact CB-CE2 3.73Å; K231-Y247 HydrophobicContact CB-CG 4.38Å; K231-Y247 HydrophobicContact CD-CD1 3.96Å; K231-Y247 HydrophobicContact CD-CE1 3.81Å; K231-Y247 HydrophobicContact CG-CD1 4.31Å; K231-Y247 HydrophobicContact CG-CE1 3.77Å; K231-Y247 HydrophobicContact CG-CE2 4.26Å |
| 232 | I | 90 | Very high | 90.1 | Very high | 58 Ų | 58 | 25.6 Ų | 25.6 | 30% | 0.297 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -110.3 | -4.6 | 178.2 | 58.8 | 170.4 | 0 | 0 | 0 | 112.8 | L60 L94 V227 M230 | L60-I232 WeakPolarHBondContact CB-O 3.3Å; L60-I232 PolarHBondContact N-O 2.97Å; L94-I232 HydrophobicContact CD1-CD1 4.01Å; V227-I232 HydrophobicContact CG1-CD1 4.13Å; V227-I232 HydrophobicContact CG1-CG1 4.08Å; M230-I232 HydrophobicContact CB-CD1 4.34Å; M230-I232 HydrophobicContact CB-CG1 4.01Å; M230-I232 HydrophobicContact CE-CD1 4.41Å; M230-I232 PolarHBondContact O-N 3.04Å |
| 233 | F | 92.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 134.7 | -171.4 | 174.5 | -96.3 | 0 | 0 | 0 | 112.1 | L60 A62 L65 F66 I224 V227 A228 Y297 | L60-F233 HydrophobicContact CB-CD2 4.05Å; L60-F233 CarbonylContact O-C 3.02Å; L60-F233 VanDerWaalsContact O-CA 3.31Å; L60-F233 WeakPolarHBondContact O-CA 3.43Å; L60-F233 WeakPolarHBondContact O-CD2 3.4Å; A62-F233 HydrophobicContact CB-CE2 4.4Å; A62-F233 HydrophobicContact CB-CZ 4.11Å; L65-F233 HydrophobicContact CB-CE2 4.45Å; L65-F233 HydrophobicContact CD2-CD2 3.98Å; L65-F233 HydrophobicContact CD2-CE2 3.9Å; F66-F233 HydrophobicContact CE2-CE2 4.21Å; F66-F233 AromaticContact CE2-CZ 3.78Å; F66-F233 HydrophobicContact CE2-CZ 3.78Å; F66-F233 HydrophobicContact CZ-CE2 4.1Å; F66-F233 AromaticContact CZ-CZ 3.87Å; F66-F233 HydrophobicContact CZ-CZ 3.87Å; I224-F233 HydrophobicContact CG2-CE1 4.38Å; V227-F233 HydrophobicContact CG1-CB 3.54Å; V227-F233 HydrophobicContact CG1-CG 4.03Å; A228-F233 HydrophobicContact CB-CD1 4.05Å; F233-Y297 AromaticContact CE1-CD1 3.82Å; F233-Y297 HydrophobicContact CE1-CD1 3.82Å; F233-Y297 AromaticContact CE1-CE1 3.56Å; F233-Y297 HydrophobicContact CE1-CE1 3.56Å; F233-Y297 AromaticContact CZ-CE1 3.83Å; F233-Y297 HydrophobicContact CZ-CE1 3.83Å |
| 234 | A | 91.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 123.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L59 L60 N61 S236 I240 L243 Y301 | L59-A234 HydrophobicContact CD1-CB 4.47Å; L60-A234 PolarHBondContact O-N 3.29Å; N61-A234 VanDerWaalsContact CA-O 3.28Å; N61-A234 WeakPolarHBondContact CA-O 3.4Å; A234-S236 PolarHBondContact O-N 3.1Å; A234-I240 VanDerWaalsContact CB-CA 3.48Å; A234-I240 HydrophobicContact CB-CB 3.55Å; A234-I240 HydrophobicContact CB-CD1 4.05Å; A234-I240 HydrophobicContact CB-CG1 3.63Å; A234-L243 HydrophobicContact CB-CD1 3.82Å; A234-Y301 WeakPolarHBondContact CA-OH 3.4Å |
| 235 | G | 85.2 | Confident | 89 | Confident | 2 Ų | 2 | 29 Ų | 29 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -65.5 | -27.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | A62 Y297 Y301 | A62-G235 VanDerWaalsContact CB-O 3.28Å; A62-G235 WeakPolarHBondContact CB-O 3.37Å; G235-Y297 WeakPolarHBondContact O-CE2 3.45Å; G235-Y301 PolarHBondContact N-OH 3.16Å |
| 236 | S | 85.7 | Confident | 88.6 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -156.4 | 172.7 | 178.1 | 87.7 | 0 | 0 | 0 | 0 | 114.3 | A234 V238 S239 I240 E267 R270 | A234-S236 PolarHBondContact O-N 3.1Å; S236-V238 PolarHBondContact O-N 3.38Å; S236-V238 WeakPolarHBondContact OG-CG2 3.38Å; S236-V238 PolarHBondContact OG-N 2.93Å; S236-S239 PolarHBondContact O-N 3.33Å; S236-S239 PolarHBondContact O-OG 3.38Å; S236-I240 PolarHBondContact O-N 2.96Å; S236-I240 VanDerWaalsContact O-N 3.09Å; S236-E267 WeakPolarHBondContact CB-OE1 3.26Å; S236-E267 PolarHBondContact N-OE1 2.93Å; S236-E267 VanDerWaalsContact OG-CD 3.26Å; S236-E267 PolarHBondContact OG-OE1 3.08Å; S236-E267 PolarHBondContact OG-OE2 3.32Å; S236-R270 WeakPolarHBondContact OG-CD 3.43Å |
| 237 | E | 78.6 | Confident | 88.3 | Confident | 6 Ų | 6 | 31.2 Ų | 31.2 | 3% | 0.028 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24.1 | 176.9 | 56.5 | -84.3 | -171.1 | 0 | 0 | 114.5 | F53 W63 V123 F126 R270 | F53-E237 HydrophobicContact CE2-CB 3.84Å; W63-E237 PolarHBondContact NE1-OE2 3.31Å; W63-E237 VanDerWaalsContact NE1-OE2 3.14Å; V123-E237 WeakPolarHBondContact CG2-O 3.49Å; F126-E237 WeakPolarHBondContact CE2-OE1 3.38Å; F126-E237 VanDerWaalsContact CZ-OE1 3.26Å; F126-E237 WeakPolarHBondContact CZ-OE1 3.35Å; E237-R270 IonicContact OE1-CZ 3.42Å; E237-R270 IonicContact OE1-NH1 2.63Å; E237-R270 PolarHBondContact OE1-NH1 3.27Å; E237-R270 IonicContact OE1-NH2 2.93Å; E237-R270 PolarHBondContact OE1-NH2 3.2Å; E237-R270 IonicContact OE2-NH1 2.84Å; E237-R270 IonicContact OE2-NH2 2.96Å |
| 238 | V | 80.6 | Confident | 87.8 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -18.6 | 179.1 | -56.7 | 0 | 0 | 0 | 0 | 113.4 | I171 S236 A266 R270 | I171-V238 HydrophobicContact CD1-CG1 4.1Å; S236-V238 PolarHBondContact O-N 3.38Å; S236-V238 WeakPolarHBondContact OG-CG2 3.38Å; S236-V238 PolarHBondContact OG-N 2.93Å; V238-A266 HydrophobicContact CG2-CB 4.16Å; V238-R270 HydrophobicContact CG2-CB 4.3Å |
| 239 | S | 88 | Confident | 87 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -31.5 | -179.5 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | S236 F241 T242 L243 E267 Y301 | S236-S239 PolarHBondContact O-N 3.33Å; S236-S239 PolarHBondContact O-OG 3.38Å; S239-F241 PolarHBondContact O-N 3.31Å; S239-T242 PolarHBondContact O-N 2.75Å; S239-T242 VanDerWaalsContact O-N 3.09Å; S239-L243 WeakPolarHBondContact O-CG 3.34Å; S239-L243 PolarHBondContact O-N 3.3Å; S239-E267 WeakPolarHBondContact CB-OE1 3.49Å; S239-E267 PolarHBondContact OG-OE1 3.29Å; S239-Y301 PolarHBondContact OG-OH 3.24Å |
| 240 | I | 87.5 | Confident | 86 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.3 | -43.4 | -168 | -169.4 | 158.7 | 0 | 0 | 0 | 114.7 | F53 T57 L59 N61 A234 S236 L243 E244 | F53-I240 HydrophobicContact CB-CD1 4.11Å; F53-I240 HydrophobicContact CD2-CG2 3.95Å; T57-I240 HydrophobicContact CG2-CG1 4.1Å; L59-I240 HydrophobicContact CB-CD1 4.33Å; L59-I240 HydrophobicContact CB-CG1 4.24Å; L59-I240 HydrophobicContact CD1-CG1 4.45Å; N61-I240 HydrophobicContact CB-CD1 3.82Å; A234-I240 VanDerWaalsContact CB-CA 3.48Å; A234-I240 HydrophobicContact CB-CB 3.55Å; A234-I240 HydrophobicContact CB-CD1 4.05Å; A234-I240 HydrophobicContact CB-CG1 3.63Å; S236-I240 PolarHBondContact O-N 2.96Å; S236-I240 VanDerWaalsContact O-N 3.09Å; I240-L243 PolarHBondContact O-N 3.37Å; I240-E244 WeakPolarHBondContact O-CB 3.36Å; I240-E244 PolarHBondContact O-N 3.03Å |
| 241 | F | 82.3 | Confident | 85.5 | Confident | 34 Ų | 34 | 36.6 Ų | 36.6 | 15% | 0.149 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -76 | -32.2 | 179.4 | -65.6 | -74.5 | 0 | 0 | 0 | 112.8 | F53 K56 T57 S119 V123 S239 L243 K245 | F53-F241 HydrophobicContact CB-CZ 4.4Å; F53-F241 HydrophobicContact CD1-CE2 4.39Å; F53-F241 AromaticContact CD1-CZ 3.93Å; F53-F241 HydrophobicContact CD1-CZ 3.93Å; F53-F241 AromaticContact CD2-CE2 3.74Å; F53-F241 HydrophobicContact CD2-CE2 3.74Å; F53-F241 AromaticContact CD2-CZ 3.97Å; F53-F241 HydrophobicContact CD2-CZ 3.97Å; F53-F241 HydrophobicContact CE1-CE2 4.29Å; F53-F241 HydrophobicContact CE1-CZ 4.11Å; F53-F241 AromaticContact CE2-CE2 3.61Å; F53-F241 HydrophobicContact CE2-CE2 3.61Å; F53-F241 HydrophobicContact CE2-CZ 4.13Å; F53-F241 HydrophobicContact CG-CE2 4.13Å; F53-F241 AromaticContact CG-CZ 3.85Å; F53-F241 HydrophobicContact CG-CZ 3.85Å; F53-F241 AromaticContact CZ-CE2 3.9Å; F53-F241 HydrophobicContact CZ-CE2 3.9Å; F53-F241 HydrophobicContact CZ-CZ 4.19Å; K56-F241 HydrophobicContact CG-CE1 4.29Å; T57-F241 HydrophobicContact CG2-CD1 3.64Å; T57-F241 HydrophobicContact CG2-CE1 3.45Å; T57-F241 VanDerWaalsContact CG2-CE1 3.45Å; T57-F241 HydrophobicContact CG2-CZ 4.19Å; S119-F241 VanDerWaalsContact CB-CE1 3.5Å; V123-F241 HydrophobicContact CG2-CD2 4.29Å; S239-F241 PolarHBondContact O-N 3.31Å; F241-L243 VanDerWaalsContact C-N 3.31Å; F241-K245 WeakPolarHBondContact O-CG 3.42Å; F241-K245 PolarHBondContact O-N 3.27Å; F241-K245 VanDerWaalsContact O-N 3.13Å |
| 242 | T | 84.8 | Confident | 85.3 | Confident | 21 Ų | 21 | 34 Ų | 34 | 13% | 0.129 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.4 | -38 | 173.5 | -56.2 | 0 | 0 | 0 | 0 | 110.6 | S239 A246 L259 Q262 A263 | S239-T242 PolarHBondContact O-N 2.75Å; S239-T242 VanDerWaalsContact O-N 3.09Å; T242-A246 WeakPolarHBondContact O-CB 3.36Å; T242-A246 PolarHBondContact O-N 3.18Å; T242-L259 HydrophobicContact CG2-CB 4.23Å; T242-L259 HydrophobicContact CG2-CD2 4.14Å; T242-L259 VanDerWaalsContact CG2-O 3.3Å; T242-L259 WeakPolarHBondContact CG2-O 3.44Å; T242-Q262 HydrophobicContact CG2-CB 4.3Å; T242-A263 HydrophobicContact CG2-CB 4.02Å |
| 243 | L | 91.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.7 | -38.3 | 175.9 | -69.3 | 177.2 | 0 | 0 | 0 | 112.6 | L59 A234 S239 I240 F241 K245 A246 Y247 I260 A263 Y301 | L59-L243 HydrophobicContact CD1-CB 3.9Å; A234-L243 HydrophobicContact CB-CD1 3.82Å; S239-L243 WeakPolarHBondContact O-CG 3.34Å; S239-L243 PolarHBondContact O-N 3.3Å; I240-L243 PolarHBondContact O-N 3.37Å; F241-L243 VanDerWaalsContact C-N 3.31Å; L243-K245 VanDerWaalsContact C-N 3.32Å; L243-K245 PolarHBondContact O-N 3.27Å; L243-A246 CarbonylContact O-C 3.44Å; L243-A246 WeakPolarHBondContact O-CA 3.36Å; L243-A246 WeakPolarHBondContact O-CB 3.47Å; L243-A246 PolarHBondContact O-N 3.18Å; L243-Y247 HydrophobicContact CB-CD2 4.38Å; L243-Y247 HydrophobicContact CB-CE2 3.9Å; L243-Y247 HydrophobicContact CD2-CE2 4.39Å; L243-Y247 WeakPolarHBondContact O-CB 3.38Å; L243-Y247 WeakPolarHBondContact O-CD2 3.43Å; L243-Y247 PolarHBondContact O-N 3.42Å; L243-I260 HydrophobicContact CD2-CG1 4.2Å; L243-A263 HydrophobicContact CD2-CB 3.63Å; L243-A263 HydrophobicContact CG-CB 3.79Å; L243-Y301 HydrophobicContact CD1-CD1 4.09Å; L243-Y301 HydrophobicContact CD1-CD2 4.31Å; L243-Y301 HydrophobicContact CD1-CE1 3.6Å; L243-Y301 HydrophobicContact CD1-CE2 3.82Å; L243-Y301 HydrophobicContact CD1-CG 4.44Å; L243-Y301 VanDerWaalsContact CD1-CZ 3.45Å |
| 244 | E | 88.1 | Confident | 84.8 | Confident | 58 Ų | 58 | 44.2 Ų | 44.2 | 27% | 0.271 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56 | -48.1 | 171.7 | 177.4 | -96 | 174.4 | 0 | 0 | 111.2 | T57 L59 I240 A246 Y247 S248 | T57-E244 HydrophobicContact CG2-CB 4.01Å; T57-E244 HydrophobicContact CG2-CG 4.09Å; L59-E244 HydrophobicContact CD1-CB 4.34Å; I240-E244 WeakPolarHBondContact O-CB 3.36Å; I240-E244 PolarHBondContact O-N 3.03Å; E244-A246 VanDerWaalsContact C-N 3.31Å; E244-A246 PolarHBondContact O-N 3.42Å; E244-Y247 PolarHBondContact O-N 2.94Å; E244-S248 PolarHBondContact O-N 2.91Å |
| 245 | K | 84.9 | Confident | 84.5 | Confident | 125 Ų | 125 | 49.3 Ų | 49.3 | 54% | 0.543 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62 | -37.1 | 171.9 | -69.2 | -179.5 | -175.4 | -179.8 | 0 | 112.8 | F241 L243 Y247 S248 V251 L259 | F241-K245 WeakPolarHBondContact O-CG 3.42Å; F241-K245 PolarHBondContact O-N 3.27Å; F241-K245 VanDerWaalsContact O-N 3.13Å; L243-K245 VanDerWaalsContact C-N 3.32Å; L243-K245 PolarHBondContact O-N 3.27Å; K245-Y247 PolarHBondContact O-N 3.29Å; K245-S248 PolarHBondContact O-OG 2.93Å; K245-V251 WeakPolarHBondContact O-CG2 3.27Å; K245-L259 HydrophobicContact CB-CD1 4.14Å |
| 246 | A | 88.5 | Confident | 84.7 | Confident | 3 Ų | 3 | 50 Ų | 50 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.7 | -28.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T242 L243 E244 S256 L259 I260 | T242-A246 WeakPolarHBondContact O-CB 3.36Å; T242-A246 PolarHBondContact O-N 3.18Å; L243-A246 CarbonylContact O-C 3.44Å; L243-A246 WeakPolarHBondContact O-CA 3.36Å; L243-A246 WeakPolarHBondContact O-CB 3.47Å; L243-A246 PolarHBondContact O-N 3.18Å; E244-A246 VanDerWaalsContact C-N 3.31Å; E244-A246 PolarHBondContact O-N 3.42Å; A246-S256 WeakPolarHBondContact O-CB 3.47Å; A246-S256 PolarHBondContact O-OG 3.16Å; A246-L259 HydrophobicContact CB-CB 3.61Å; A246-L259 HydrophobicContact CB-CD1 4.25Å; A246-I260 HydrophobicContact CB-CG1 3.94Å |
| 247 | Y | 89.4 | Confident | 84.9 | Confident | 58 Ų | 58 | 54.2 Ų | 54.2 | 23% | 0.227 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -102.8 | -0.7 | -175.2 | -54.9 | -27.4 | 0 | 0 | 0 | 113.4 | L59 K231 L243 E244 K245 I260 | L59-Y247 HydrophobicContact CD1-CD2 4.04Å; L59-Y247 HydrophobicContact CD1-CE2 4.22Å; L59-Y247 HydrophobicContact CD2-CD2 3.96Å; L59-Y247 HydrophobicContact CD2-CE2 4.22Å; K231-Y247 HydrophobicContact CB-CD1 4.39Å; K231-Y247 HydrophobicContact CB-CD2 4.06Å; K231-Y247 HydrophobicContact CB-CE1 4.1Å; K231-Y247 HydrophobicContact CB-CE2 3.73Å; K231-Y247 HydrophobicContact CB-CG 4.38Å; K231-Y247 HydrophobicContact CD-CD1 3.96Å; K231-Y247 HydrophobicContact CD-CE1 3.81Å; K231-Y247 HydrophobicContact CG-CD1 4.31Å; K231-Y247 HydrophobicContact CG-CE1 3.77Å; K231-Y247 HydrophobicContact CG-CE2 4.26Å; L243-Y247 HydrophobicContact CB-CD2 4.38Å; L243-Y247 HydrophobicContact CB-CE2 3.9Å; L243-Y247 HydrophobicContact CD2-CE2 4.39Å; L243-Y247 WeakPolarHBondContact O-CB 3.38Å; L243-Y247 WeakPolarHBondContact O-CD2 3.43Å; L243-Y247 PolarHBondContact O-N 3.42Å; E244-Y247 PolarHBondContact O-N 2.94Å; K245-Y247 PolarHBondContact O-N 3.29Å; Y247-I260 HydrophobicContact CE1-CD1 3.92Å; Y247-I260 HydrophobicContact CE1-CG1 4.06Å |
| 248 | S | 84.6 | Confident | 85.4 | Confident | 49 Ų | 49 | 57.4 Ų | 57.4 | 34% | 0.343 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -70.6 | 150.1 | -179.6 | 65.4 | 0 | 0 | 0 | 0 | 112.3 | E244 K245 G250 V251 | E244-S248 PolarHBondContact O-N 2.91Å; K245-S248 PolarHBondContact O-OG 2.93Å; S248-G250 PolarHBondContact O-N 3.16Å; S248-V251 WeakPolarHBondContact OG-CG2 3.28Å |
| 249 | A | 75.7 | Confident | 85.8 | Confident | 109 Ų | 109 | 59 Ų | 59 | 90% | 0.901 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 130.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 250 | G | 74.2 | Confident | 86 | Confident | 77 Ų | 77 | 59.4 Ų | 59.4 | 79% | 0.794 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.5 | -5.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.5 | S248 | S248-G250 PolarHBondContact O-N 3.16Š|
| 251 | V | 81.4 | Confident | 86.1 | Confident | 44 Ų | 44 | 63 Ų | 63 | 27% | 0.267 | 36% | 0.364 | S | S | . | . | trans | -88.3 | 129.8 | 174.8 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | K245 S248 Q255 L259 | K245-V251 WeakPolarHBondContact O-CG2 3.27Å; S248-V251 WeakPolarHBondContact OG-CG2 3.28Å; V251-Q255 HydrophobicContact CG1-CB 3.51Å; V251-L259 HydrophobicContact CG1-CD1 4.32Å | ||
| 252 | T | 84.9 | Confident | 86.3 | Confident | 64 Ų | 64 | 63.5 Ų | 63.5 | 39% | 0.393 | 37% | 0.367 | S | S | . | . | trans | -66.5 | 153.6 | 180 | 69.7 | 0 | 0 | 0 | 0 | 110.9 | E254 Q255 S256 | T252-E254 PolarHBondContact O-N 3.25Å; T252-E254 VanDerWaalsContact O-N 3.15Å; T252-Q255 PolarHBondContact O-N 3.25Å; T252-Q255 VanDerWaalsContact O-N 3.1Å; T252-Q255 VanDerWaalsContact OG1-CG 3.29Å; T252-Q255 WeakPolarHBondContact OG1-CG 3.49Å; T252-Q255 PolarHBondContact OG1-N 3.02Å; T252-S256 WeakPolarHBondContact O-CB 3.48Å; T252-S256 PolarHBondContact O-N 3.09Å | ||
| 253 | P | 87.1 | Confident | 86.5 | Confident | 113 Ų | 113 | 62.5 Ų | 62.5 | 73% | 0.734 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -54.1 | -36.4 | 178.9 | -28.2 | 35.6 | 0 | 0 | 0 | 113.8 | Q257 | P253-Q257 WeakPolarHBondContact O-CB 3.37Å; P253-Q257 PolarHBondContact O-N 3.33Å |
| 254 | E | 86.4 | Confident | 86.6 | Confident | 160 Ų | 160 | 62.6 Ų | 62.6 | 75% | 0.748 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -69.4 | -42.2 | 177.8 | -66.8 | 175.1 | 172.7 | 0 | 0 | 112.6 | T252 Q257 T258 | T252-E254 PolarHBondContact O-N 3.25Å; T252-E254 VanDerWaalsContact O-N 3.15Å; E254-Q257 PolarHBondContact O-N 3.35Å; E254-T258 PolarHBondContact O-N 3.46Å; E254-T258 PolarHBondContact O-OG1 2.92Å |
| 255 | Q | 86.2 | Confident | 86.6 | Confident | 107 Ų | 107 | 64 Ų | 64 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 174.8 | -73.4 | 174 | -9.5 | 0 | 0 | 111 | V251 T252 Q257 T258 L259 | V251-Q255 HydrophobicContact CG1-CB 3.51Å; T252-Q255 PolarHBondContact O-N 3.25Å; T252-Q255 VanDerWaalsContact O-N 3.1Å; T252-Q255 VanDerWaalsContact OG1-CG 3.29Å; T252-Q255 WeakPolarHBondContact OG1-CG 3.49Å; T252-Q255 PolarHBondContact OG1-N 3.02Å; Q255-Q257 VanDerWaalsContact C-N 3.34Å; Q255-Q257 PolarHBondContact O-N 3.02Å; Q255-T258 WeakPolarHBondContact O-CB 3.4Å; Q255-T258 PolarHBondContact O-N 3.24Å; Q255-L259 WeakPolarHBondContact O-CG 3.35Å; Q255-L259 PolarHBondContact O-N 3.25Å |
| 256 | S | 89.5 | Confident | 86.6 | Confident | 16 Ų | 16 | 58.1 Ų | 58.1 | 11% | 0.112 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.2 | -48.4 | 175.4 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | A246 T252 T258 L259 I260 | A246-S256 WeakPolarHBondContact O-CB 3.47Å; A246-S256 PolarHBondContact O-OG 3.16Å; T252-S256 WeakPolarHBondContact O-CB 3.48Å; T252-S256 PolarHBondContact O-N 3.09Å; S256-T258 VanDerWaalsContact C-N 3.31Å; S256-T258 PolarHBondContact O-N 3.44Å; S256-L259 PolarHBondContact O-N 3.39Å; S256-I260 VanDerWaalsContact O-CG1 3.29Å; S256-I260 WeakPolarHBondContact O-CG1 3.35Å; S256-I260 PolarHBondContact O-N 3.19Å |
| 257 | Q | 89.6 | Confident | 86.6 | Confident | 92 Ų | 92 | 58 Ų | 58 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 177.4 | -170.3 | 60.3 | 46.6 | 0 | 0 | 112.4 | P253 E254 Q255 I260 N261 | P253-Q257 WeakPolarHBondContact O-CB 3.37Å; P253-Q257 PolarHBondContact O-N 3.33Å; E254-Q257 PolarHBondContact O-N 3.35Å; Q255-Q257 VanDerWaalsContact C-N 3.34Å; Q255-Q257 PolarHBondContact O-N 3.02Å; Q257-I260 PolarHBondContact O-N 3.3Å; Q257-N261 PolarHBondContact NE2-OD1 2.93Å; Q257-N261 WeakPolarHBondContact O-CB 3.45Å; Q257-N261 PolarHBondContact O-N 2.84Å; Q257-N261 PolarHBondContact O-ND2 2.88Å; Q257-N261 PolarHBondContact O-OD1 3.23Å |
| 258 | T | 88.3 | Confident | 86.7 | Confident | 72 Ų | 72 | 59.8 Ų | 59.8 | 44% | 0.442 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 176.4 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | E254 Q255 S256 N261 Q262 | E254-T258 PolarHBondContact O-N 3.46Å; E254-T258 PolarHBondContact O-OG1 2.92Å; Q255-T258 WeakPolarHBondContact O-CB 3.4Å; Q255-T258 PolarHBondContact O-N 3.24Å; S256-T258 VanDerWaalsContact C-N 3.31Å; S256-T258 PolarHBondContact O-N 3.44Å; T258-N261 PolarHBondContact O-N 3.44Å; T258-Q262 WeakPolarHBondContact O-CG 3.46Å; T258-Q262 PolarHBondContact O-N 2.89Å |
| 259 | L | 88.6 | Confident | 86.6 | Confident | 36 Ų | 36 | 59.1 Ų | 59.1 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 176.6 | -69.3 | 167 | 0 | 0 | 0 | 112.1 | T242 K245 A246 V251 Q255 S256 N261 Q262 A263 | T242-L259 HydrophobicContact CG2-CB 4.23Å; T242-L259 HydrophobicContact CG2-CD2 4.14Å; T242-L259 VanDerWaalsContact CG2-O 3.3Å; T242-L259 WeakPolarHBondContact CG2-O 3.44Å; K245-L259 HydrophobicContact CB-CD1 4.14Å; A246-L259 HydrophobicContact CB-CB 3.61Å; A246-L259 HydrophobicContact CB-CD1 4.25Å; V251-L259 HydrophobicContact CG1-CD1 4.32Å; Q255-L259 WeakPolarHBondContact O-CG 3.35Å; Q255-L259 PolarHBondContact O-N 3.25Å; S256-L259 PolarHBondContact O-N 3.39Å; L259-N261 VanDerWaalsContact C-N 3.34Å; L259-N261 PolarHBondContact O-N 3.02Å; L259-Q262 WeakPolarHBondContact O-CB 3.29Å; L259-Q262 PolarHBondContact O-N 3.04Å; L259-A263 WeakPolarHBondContact O-CB 3.48Å; L259-A263 PolarHBondContact O-N 3.45Å |
| 260 | I | 91.8 | Very high | 86.9 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.051 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 174.1 | -67.6 | 165.4 | 0 | 0 | 0 | 110.5 | L243 A246 Y247 S256 Q257 Q262 A263 A264 Y301 | L243-I260 HydrophobicContact CD2-CG1 4.2Å; A246-I260 HydrophobicContact CB-CG1 3.94Å; Y247-I260 HydrophobicContact CE1-CD1 3.92Å; Y247-I260 HydrophobicContact CE1-CG1 4.06Å; S256-I260 VanDerWaalsContact O-CG1 3.29Å; S256-I260 WeakPolarHBondContact O-CG1 3.35Å; S256-I260 PolarHBondContact O-N 3.19Å; Q257-I260 PolarHBondContact O-N 3.3Å; I260-Q262 VanDerWaalsContact C-N 3.31Å; I260-Q262 PolarHBondContact O-N 3.02Å; I260-A263 PolarHBondContact O-N 2.85Å; I260-A264 WeakPolarHBondContact O-CB 3.27Å; I260-A264 PolarHBondContact O-N 3.14Å; I260-Y301 WeakPolarHBondContact CG2-O 3.39Å |
| 261 | N | 91 | Very high | 87.4 | Confident | 76 Ų | 76 | 51 Ų | 51 | 41% | 0.406 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 177 | -68.6 | -14.1 | 0 | 0 | 0 | 111.4 | Q257 T258 L259 A264 L265 L302 | Q257-N261 PolarHBondContact NE2-OD1 2.93Å; Q257-N261 WeakPolarHBondContact O-CB 3.45Å; Q257-N261 PolarHBondContact O-N 2.84Å; Q257-N261 PolarHBondContact O-ND2 2.88Å; Q257-N261 PolarHBondContact O-OD1 3.23Å; T258-N261 PolarHBondContact O-N 3.44Å; L259-N261 VanDerWaalsContact C-N 3.34Å; L259-N261 PolarHBondContact O-N 3.02Å; N261-A264 PolarHBondContact O-N 3.46Å; N261-L265 WeakPolarHBondContact O-CB 3.41Å; N261-L265 PolarHBondContact O-N 2.86Å; N261-L302 WeakPolarHBondContact OD1-CD2 3.44Å |
| 262 | Q | 86 | Confident | 87.5 | Confident | 43 Ų | 43 | 52.1 Ų | 52.1 | 20% | 0.201 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63 | -44.6 | 173.8 | -71.4 | 168.9 | 10 | 0 | 0 | 111.7 | H163 T242 T258 L259 I260 L265 A266 | H163-Q262 WeakPolarHBondContact O-CG 3.44Å; H163-Q262 PolarHBondContact O-NE2 3.24Å; T242-Q262 HydrophobicContact CG2-CB 4.3Å; T258-Q262 WeakPolarHBondContact O-CG 3.46Å; T258-Q262 PolarHBondContact O-N 2.89Å; L259-Q262 WeakPolarHBondContact O-CB 3.29Å; L259-Q262 PolarHBondContact O-N 3.04Å; I260-Q262 VanDerWaalsContact C-N 3.31Å; I260-Q262 PolarHBondContact O-N 3.02Å; Q262-L265 PolarHBondContact O-N 3.15Å; Q262-A266 WeakPolarHBondContact O-CB 3.28Å; Q262-A266 PolarHBondContact O-N 3.26Å |
| 263 | A | 89.6 | Confident | 87 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T242 L243 L259 I260 A266 E267 | T242-A263 HydrophobicContact CG2-CB 4.02Å; L243-A263 HydrophobicContact CD2-CB 3.63Å; L243-A263 HydrophobicContact CG-CB 3.79Å; L259-A263 WeakPolarHBondContact O-CB 3.48Å; L259-A263 PolarHBondContact O-N 3.45Å; I260-A263 PolarHBondContact O-N 2.85Å; A263-A266 WeakPolarHBondContact O-CB 3.46Å; A263-A266 PolarHBondContact O-N 2.92Å; A263-E267 PolarHBondContact O-N 2.73Å |
| 264 | A | 92.6 | Very high | 86.7 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.7 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I260 N261 A266 E267 F268 A298 Y301 L302 | I260-A264 WeakPolarHBondContact O-CB 3.27Å; I260-A264 PolarHBondContact O-N 3.14Å; N261-A264 PolarHBondContact O-N 3.46Å; A264-A266 VanDerWaalsContact C-N 3.32Å; A264-E267 PolarHBondContact O-N 2.96Å; A264-F268 WeakPolarHBondContact O-CB 3.49Å; A264-F268 PolarHBondContact O-N 3.47Å; A264-A298 HydrophobicContact CB-CB 4.36Å; A264-Y301 HydrophobicContact CB-CD2 4.31Å; A264-L302 HydrophobicContact CB-CD1 3.84Å; A264-L302 HydrophobicContact CB-CD2 3.75Å; A264-L302 HydrophobicContact CB-CG 3.59Å |
| 265 | L | 88.5 | Confident | 86.6 | Confident | 87 Ų | 87 | 38 Ų | 38 | 46% | 0.455 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.8 | -41.7 | 173.8 | -178.6 | 62.9 | 0 | 0 | 0 | 111.1 | L164 N261 Q262 F268 M269 | L164-L265 HydrophobicContact CD2-CD2 4.4Å; N261-L265 WeakPolarHBondContact O-CB 3.41Å; N261-L265 PolarHBondContact O-N 2.86Å; Q262-L265 PolarHBondContact O-N 3.15Å; L265-F268 PolarHBondContact O-N 3.15Å; L265-M269 HydrophobicContact CD1-CG 4.23Å; L265-M269 HydrophobicContact CG-CG 4.44Å; L265-M269 WeakPolarHBondContact O-CB 3.43Å; L265-M269 VanDerWaalsContact O-CG 3.25Å; L265-M269 WeakPolarHBondContact O-CG 3.42Å; L265-M269 PolarHBondContact O-N 2.85Å |
| 266 | A | 84.3 | Confident | 86.3 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.3 | -49 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | S168 V238 Q262 A263 A264 F268 M269 R270 | S168-A266 WeakPolarHBondContact OG-CA 3.32Å; S168-A266 WeakPolarHBondContact OG-CB 3.39Å; V238-A266 HydrophobicContact CG2-CB 4.16Å; Q262-A266 WeakPolarHBondContact O-CB 3.28Å; Q262-A266 PolarHBondContact O-N 3.26Å; A263-A266 WeakPolarHBondContact O-CB 3.46Å; A263-A266 PolarHBondContact O-N 2.92Å; A264-A266 VanDerWaalsContact C-N 3.32Å; A266-F268 VanDerWaalsContact C-N 3.35Å; A266-F268 PolarHBondContact O-N 2.96Å; A266-M269 PolarHBondContact O-N 3.5Å; A266-R270 VanDerWaalsContact O-CB 3.31Å; A266-R270 WeakPolarHBondContact O-CB 3.16Å; A266-R270 PolarHBondContact O-N 2.93Å |
| 267 | E | 89.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.5 | -38.5 | 175.3 | -72.8 | -59.2 | 160.6 | 0 | 0 | 112.6 | S236 S239 A263 A264 R270 G271 A298 Y301 | S236-E267 WeakPolarHBondContact CB-OE1 3.26Å; S236-E267 PolarHBondContact N-OE1 2.93Å; S236-E267 VanDerWaalsContact OG-CD 3.26Å; S236-E267 PolarHBondContact OG-OE1 3.08Å; S236-E267 PolarHBondContact OG-OE2 3.32Å; S239-E267 WeakPolarHBondContact CB-OE1 3.49Å; S239-E267 PolarHBondContact OG-OE1 3.29Å; A263-E267 PolarHBondContact O-N 2.73Å; A264-E267 PolarHBondContact O-N 2.96Å; E267-R270 PolarHBondContact O-N 3.18Å; E267-G271 PolarHBondContact O-N 2.99Å; E267-A298 HydrophobicContact CB-CB 4.26Å; E267-Y301 HydrophobicContact CG-CD2 4.43Å; E267-Y301 HydrophobicContact CG-CE2 3.59Å |
| 268 | F | 90.4 | Very high | 85.7 | Confident | 97 Ų | 97 | 29 Ų | 29 | 43% | 0.425 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -63.7 | -47.3 | 177.9 | -178.3 | -97.5 | 0 | 0 | 0 | 111.6 | A264 L265 A266 R270 G271 L272 F295 | A264-F268 WeakPolarHBondContact O-CB 3.49Å; A264-F268 PolarHBondContact O-N 3.47Å; L265-F268 PolarHBondContact O-N 3.15Å; A266-F268 VanDerWaalsContact C-N 3.35Å; A266-F268 PolarHBondContact O-N 2.96Å; F268-R270 VanDerWaalsContact C-N 3.35Å; F268-R270 PolarHBondContact O-N 3.35Å; F268-G271 PolarHBondContact O-N 2.98Å; F268-L272 HydrophobicContact CD1-CD1 4.14Å; F268-L272 HydrophobicContact CE1-CD1 3.65Å; F268-L272 HydrophobicContact CE1-CG 4.27Å; F268-L272 HydrophobicContact CZ-CD1 4.19Å; F268-L272 HydrophobicContact CZ-CG 4.46Å; F268-L272 PolarHBondContact O-N 3.1Å; F268-F295 AromaticContact CD2-CD1 3.68Å; F268-F295 HydrophobicContact CD2-CD1 3.68Å; F268-F295 AromaticContact CD2-CE1 3.79Å; F268-F295 HydrophobicContact CD2-CE1 3.79Å; F268-F295 HydrophobicContact CE2-CD1 4.05Å; F268-F295 AromaticContact CE2-CE1 3.93Å; F268-F295 HydrophobicContact CE2-CE1 3.93Å; F268-F295 HydrophobicContact CG-CE1 4.45Å |
| 269 | M | 82.8 | Confident | 85.7 | Confident | 34 Ų | 34 | 25.6 Ų | 25.6 | 17% | 0.167 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.9 | -41 | 177.9 | -67.6 | -64.1 | -102.9 | 0 | 0 | 111.5 | F172 L265 A266 G273 | F172-M269 HydrophobicContact CB-CB 4.3Å; F172-M269 HydrophobicContact CB-CE 3.64Å; F172-M269 HydrophobicContact CB-SD 4.26Å; F172-M269 HydrophobicContact CD1-CE 3.4Å; F172-M269 HydrophobicContact CD1-SD 4.43Å; F172-M269 HydrophobicContact CD2-CE 3.79Å; F172-M269 HydrophobicContact CD2-SD 3.74Å; F172-M269 HydrophobicContact CE1-CE 3.95Å; F172-M269 HydrophobicContact CE2-CE 4.3Å; F172-M269 HydrophobicContact CE2-SD 4.17Å; F172-M269 HydrophobicContact CG-CE 3.3Å; F172-M269 HydrophobicContact CG-SD 3.89Å; F172-M269 HydrophobicContact CZ-CE 4.36Å; L265-M269 HydrophobicContact CD1-CG 4.23Å; L265-M269 HydrophobicContact CG-CG 4.44Å; L265-M269 WeakPolarHBondContact O-CB 3.43Å; L265-M269 VanDerWaalsContact O-CG 3.25Å; L265-M269 WeakPolarHBondContact O-CG 3.42Å; L265-M269 PolarHBondContact O-N 2.85Å; A266-M269 PolarHBondContact O-N 3.5Å; M269-G273 PolarHBondContact O-N 3.33Å |
| 270 | R | 82.5 | Confident | 85.3 | Confident | 16 Ų | 16 | 24.8 Ų | 24.8 | 6% | 0.06 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.7 | -50 | 171.2 | 177 | -170.6 | 174.3 | 105.2 | -4.4 | 111.2 | F126 S236 E237 V238 A266 E267 F268 L272 G273 F274 | F126-R270 VanDerWaalsContact CZ-NH1 3.33Å; S236-R270 WeakPolarHBondContact OG-CD 3.43Å; E237-R270 IonicContact OE1-CZ 3.42Å; E237-R270 IonicContact OE1-NH1 2.63Å; E237-R270 PolarHBondContact OE1-NH1 3.27Å; E237-R270 IonicContact OE1-NH2 2.93Å; E237-R270 PolarHBondContact OE1-NH2 3.2Å; E237-R270 IonicContact OE2-NH1 2.84Å; E237-R270 IonicContact OE2-NH2 2.96Å; V238-R270 HydrophobicContact CG2-CB 4.3Å; A266-R270 VanDerWaalsContact O-CB 3.31Å; A266-R270 WeakPolarHBondContact O-CB 3.16Å; A266-R270 PolarHBondContact O-N 2.93Å; E267-R270 PolarHBondContact O-N 3.18Å; F268-R270 VanDerWaalsContact C-N 3.35Å; F268-R270 PolarHBondContact O-N 3.35Å; R270-L272 VanDerWaalsContact C-N 3.31Å; R270-L272 PolarHBondContact O-N 3Å; R270-G273 VanDerWaalsContact O-CA 3.28Å; R270-G273 WeakPolarHBondContact O-CA 3.26Å; R270-G273 PolarHBondContact O-N 2.75Å; R270-F274 HydrophobicContact CG-CD2 3.68Å; R270-F274 HydrophobicContact CG-CE2 3.78Å; R270-F274 WeakPolarHBondContact O-CD2 3.25Å; R270-F274 PolarHBondContact O-N 2.88Å; R270-F274 VanDerWaalsContact O-N 3.08Å |
| 271 | G | 85 | Confident | 85 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.2 | -44.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E267 F268 G273 F274 V275 F293 T294 | E267-G271 PolarHBondContact O-N 2.99Å; F268-G271 PolarHBondContact O-N 2.98Å; G271-G273 PolarHBondContact O-N 3.17Å; G271-F274 PolarHBondContact O-N 3.31Å; G271-V275 WeakPolarHBondContact O-CG2 3.44Å; G271-V275 PolarHBondContact O-N 3.06Å; G271-F293 VanDerWaalsContact CA-O 3.29Å; G271-F293 WeakPolarHBondContact CA-O 3.48Å; G271-T294 VanDerWaalsContact CA-OG1 3.29Å; G271-T294 WeakPolarHBondContact CA-OG1 3.31Å |
| 272 | L | 82.7 | Confident | 84.9 | Confident | 68 Ų | 68 | 21.3 Ų | 21.3 | 36% | 0.356 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -56.2 | -41.2 | 172 | -72.6 | 174.8 | 0 | 0 | 0 | 112.1 | F172 F268 R270 F274 F295 | F172-L272 HydrophobicContact CD2-CD1 4.35Å; F172-L272 HydrophobicContact CE2-CD1 3.97Å; F268-L272 HydrophobicContact CD1-CD1 4.14Å; F268-L272 HydrophobicContact CE1-CD1 3.65Å; F268-L272 HydrophobicContact CE1-CG 4.27Å; F268-L272 HydrophobicContact CZ-CD1 4.19Å; F268-L272 HydrophobicContact CZ-CG 4.46Å; F268-L272 PolarHBondContact O-N 3.1Å; R270-L272 VanDerWaalsContact C-N 3.31Å; R270-L272 PolarHBondContact O-N 3Å; L272-F274 VanDerWaalsContact C-N 3.31Å; L272-F274 PolarHBondContact O-N 2.71Å; L272-F295 HydrophobicContact CD2-CE1 4.39Å; L272-F295 HydrophobicContact CD2-CZ 3.96Å; L272-F295 HydrophobicContact CG-CE1 4.2Å; L272-F295 HydrophobicContact CG-CZ 4.19Å |
| 273 | G | 74.8 | Confident | 84.9 | Confident | 2 Ų | 2 | 19.5 Ų | 19.5 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.1 | -38.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M175 M269 R270 G271 P276 | M175-G273 WeakPolarHBondContact CE-O 3.3Å; M269-G273 PolarHBondContact O-N 3.33Å; R270-G273 VanDerWaalsContact O-CA 3.28Å; R270-G273 WeakPolarHBondContact O-CA 3.26Å; R270-G273 PolarHBondContact O-N 2.75Å; G271-G273 PolarHBondContact O-N 3.17Å; G273-P276 WeakPolarHBondContact O-CD 3.36Å |
| 274 | F | 80.2 | Confident | 84.5 | Confident | 13 Ų | 13 | 21.2 Ų | 21.2 | 6% | 0.057 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -87.7 | -8.3 | -174 | -82.8 | -81.7 | 0 | 0 | 0 | 115.1 | F126 F129 R270 G271 L272 L277 I278 M348 | F126-F274 HydrophobicContact CE1-CE2 4.31Å; F126-F274 HydrophobicContact CE1-CZ 4.36Å; F126-F274 HydrophobicContact CZ-CE2 4.08Å; F126-F274 AromaticContact CZ-CZ 3.73Å; F126-F274 HydrophobicContact CZ-CZ 3.73Å; F129-F274 HydrophobicContact CE1-CE2 4.07Å; F129-F274 HydrophobicContact CE1-CZ 4.02Å; F129-F274 HydrophobicContact CZ-CE2 4.16Å; F129-F274 HydrophobicContact CZ-CZ 4.06Å; R270-F274 HydrophobicContact CG-CD2 3.68Å; R270-F274 HydrophobicContact CG-CE2 3.78Å; R270-F274 WeakPolarHBondContact O-CD2 3.25Å; R270-F274 PolarHBondContact O-N 2.88Å; R270-F274 VanDerWaalsContact O-N 3.08Å; G271-F274 PolarHBondContact O-N 3.31Å; L272-F274 VanDerWaalsContact C-N 3.31Å; L272-F274 PolarHBondContact O-N 2.71Å; F274-L277 HydrophobicContact CD1-CD2 3.86Å; F274-L277 HydrophobicContact CE1-CD2 3.97Å; F274-L277 PolarHBondContact O-N 3.33Å; F274-I278 HydrophobicContact CB-CD1 3.84Å; F274-I278 HydrophobicContact CB-CG1 4.38Å; F274-I278 WeakPolarHBondContact O-CG1 3.37Å; F274-I278 PolarHBondContact O-N 3.39Å; F274-M348 HydrophobicContact CE1-CE 3.66Å; F274-M348 HydrophobicContact CE1-SD 3.5Å; F274-M348 WeakPolarHBondContact CE1-SD 3.34Å; F274-M348 HydrophobicContact CZ-CE 3.65Å; F274-M348 HydrophobicContact CZ-SD 3.69Å |
| 275 | V | 84.8 | Confident | 84.3 | Confident | 26 Ų | 26 | 21.5 Ų | 21.5 | 16% | 0.158 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -51.9 | -50.1 | -179.3 | 175.3 | 0 | 0 | 0 | 0 | 112.6 | G271 L277 I278 A279 F293 F295 I327 | G271-V275 WeakPolarHBondContact O-CG2 3.44Å; G271-V275 PolarHBondContact O-N 3.06Å; V275-L277 PolarHBondContact O-N 3.4Å; V275-I278 PolarHBondContact O-N 3.36Å; V275-A279 WeakPolarHBondContact O-CB 3.12Å; V275-A279 PolarHBondContact O-N 2.98Å; V275-F293 HydrophobicContact CB-CD1 4.46Å; V275-F293 HydrophobicContact CG1-CD1 4.48Å; V275-F293 HydrophobicContact CG1-CE1 4.19Å; V275-F293 HydrophobicContact CG1-CE2 4.47Å; V275-F293 HydrophobicContact CG1-CZ 4.18Å; V275-F293 HydrophobicContact CG2-CB 4.25Å; V275-F293 HydrophobicContact CG2-CD1 4.24Å; V275-F293 HydrophobicContact CG2-CD2 4.36Å; V275-F293 HydrophobicContact CG2-CG 4.05Å; V275-F295 HydrophobicContact CG2-CE2 4.3Å; V275-F295 HydrophobicContact CG2-CZ 4.26Å; V275-I327 HydrophobicContact CG1-CD1 4.18Å; V275-I327 HydrophobicContact CG1-CG2 4.31Å |
| 276 | P | 78.7 | Confident | 84.3 | Confident | 6 Ų | 6 | 17.3 Ų | 17.3 | 4% | 0.039 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61 | -43.3 | -178.1 | -22.8 | 34.5 | 0 | 0 | 0 | 112.9 | L179 G273 T280 L331 V337 | L179-P276 HydrophobicContact CD2-CG 4.05Å; G273-P276 WeakPolarHBondContact O-CD 3.36Å; P276-T280 WeakPolarHBondContact O-CB 3.38Å; P276-T280 PolarHBondContact O-N 3.28Å; P276-T280 PolarHBondContact O-OG1 3.05Å; P276-L331 HydrophobicContact CB-CD2 4.46Å; P276-V337 HydrophobicContact CB-CG1 4.06Å; P276-V337 HydrophobicContact CG-CG1 4.37Å |
| 277 | L | 81.6 | Confident | 84.7 | Confident | 8 Ų | 8 | 17.3 Ų | 17.3 | 4% | 0.042 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.9 | -53.9 | 179.1 | 176.2 | 61.9 | 0 | 0 | 0 | 110.6 | F274 V275 T280 T281 S341 I344 | F274-L277 HydrophobicContact CD1-CD2 3.86Å; F274-L277 HydrophobicContact CE1-CD2 3.97Å; F274-L277 PolarHBondContact O-N 3.33Å; V275-L277 PolarHBondContact O-N 3.4Å; L277-T280 PolarHBondContact O-N 2.96Å; L277-T281 HydrophobicContact CD1-CG2 4.37Å; L277-T281 PolarHBondContact O-N 2.98Å; L277-T281 VanDerWaalsContact O-N 3.1Å; L277-T281 PolarHBondContact O-OG1 3.39Å; L277-T281 VanDerWaalsContact O-OG1 3.08Å; L277-S341 WeakPolarHBondContact CD1-O 3.44Å; L277-I344 HydrophobicContact CD2-CG2 4.19Å |
| 278 | I | 86.5 | Confident | 84.9 | Confident | 12 Ų | 12 | 17.3 Ų | 17.3 | 6% | 0.062 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.5 | -41.6 | -174.6 | -65 | 172.8 | 0 | 0 | 0 | 111 | F274 V275 T281 A282 Y288 A289 G292 F293 | F274-I278 HydrophobicContact CB-CD1 3.84Å; F274-I278 HydrophobicContact CB-CG1 4.38Å; F274-I278 WeakPolarHBondContact O-CG1 3.37Å; F274-I278 PolarHBondContact O-N 3.39Å; V275-I278 PolarHBondContact O-N 3.36Å; I278-T281 PolarHBondContact O-OG1 3.5Å; I278-A282 WeakPolarHBondContact O-CB 3.44Å; I278-A282 PolarHBondContact O-N 2.98Å; I278-Y288 HydrophobicContact CG2-CE2 4.29Å; I278-A289 HydrophobicContact CG2-CB 3.77Å; I278-G292 WeakPolarHBondContact CD1-O 3.4Å; I278-F293 HydrophobicContact CB-CD1 3.74Å; I278-F293 HydrophobicContact CB-CE1 3.86Å; I278-F293 HydrophobicContact CD1-CD1 4.29Å; I278-F293 HydrophobicContact CG2-CD1 3.54Å; I278-F293 HydrophobicContact CG2-CE1 3.61Å |
| 279 | A | 87.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.6 | -45.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V275 A282 L283 F293 L324 I327 L331 | V275-A279 WeakPolarHBondContact O-CB 3.12Å; V275-A279 PolarHBondContact O-N 2.98Å; A279-A282 PolarHBondContact O-N 3.33Å; A279-L283 VanDerWaalsContact O-CB 3.31Å; A279-L283 WeakPolarHBondContact O-CB 3.34Å; A279-L283 WeakPolarHBondContact O-CD1 3.13Å; A279-L283 WeakPolarHBondContact O-CG 3.36Å; A279-L283 PolarHBondContact O-N 3.04Å; A279-F293 HydrophobicContact CB-CE1 3.96Å; A279-F293 HydrophobicContact CB-CZ 4.04Å; A279-L324 HydrophobicContact CB-CD2 4.18Å; A279-I327 HydrophobicContact CB-CG2 3.65Å; A279-L331 HydrophobicContact CB-CD1 3.94Å |
| 280 | T | 80.4 | Confident | 85.6 | Confident | 19 Ų | 19 | 11.4 Ų | 11.4 | 12% | 0.117 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.5 | -50 | 179.7 | -61 | 0 | 0 | 0 | 0 | 111.2 | P276 L277 L283 A284 R338 S341 | P276-T280 WeakPolarHBondContact O-CB 3.38Å; P276-T280 PolarHBondContact O-N 3.28Å; P276-T280 PolarHBondContact O-OG1 3.05Å; L277-T280 PolarHBondContact O-N 2.96Å; T280-L283 PolarHBondContact O-N 2.92Å; T280-A284 WeakPolarHBondContact O-CB 3.25Å; T280-A284 PolarHBondContact O-N 3.26Å; T280-R338 HydrophobicContact CG2-CG 3.42Å; T280-R338 VanDerWaalsContact CG2-CG 3.42Å; T280-S341 PolarHBondContact OG1-OG 3.21Å |
| 281 | T | 84.6 | Confident | 86 | Confident | 12 Ų | 12 | 10.7 Ų | 10.7 | 7% | 0.074 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -69.5 | -35.7 | -178.6 | 57.6 | 0 | 0 | 0 | 0 | 112 | D15 R18 L277 I278 A284 T285 | D15-T281 WeakPolarHBondContact OD1-CB 3.13Å; D15-T281 WeakPolarHBondContact OD1-CG2 3.25Å; D15-T281 PolarHBondContact OD1-OG1 3.25Å; R18-T281 PolarHBondContact NE-OG1 3.42Å; R18-T281 PolarHBondContact NH1-OG1 2.93Å; R18-T281 PolarHBondContact NH2-OG1 3.21Å; L277-T281 HydrophobicContact CD1-CG2 4.37Å; L277-T281 PolarHBondContact O-N 2.98Å; L277-T281 VanDerWaalsContact O-N 3.1Å; L277-T281 PolarHBondContact O-OG1 3.39Å; L277-T281 VanDerWaalsContact O-OG1 3.08Å; I278-T281 PolarHBondContact O-OG1 3.5Å; T281-A284 PolarHBondContact O-N 2.95Å; T281-T285 WeakPolarHBondContact O-CB 3.38Å; T281-T285 VanDerWaalsContact O-CG2 3.29Å; T281-T285 WeakPolarHBondContact O-CG2 3.32Å; T281-T285 PolarHBondContact O-N 3.41Å; T281-T285 PolarHBondContact O-OG1 3.5Å |
| 282 | A | 89.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.7 | -48.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I210 I278 A279 A284 T285 G286 V287 Y288 | I210-A282 HydrophobicContact CD1-CB 4.03Å; I278-A282 WeakPolarHBondContact O-CB 3.44Å; I278-A282 PolarHBondContact O-N 2.98Å; A279-A282 PolarHBondContact O-N 3.33Å; A282-A284 VanDerWaalsContact C-N 3.3Å; A282-A284 PolarHBondContact O-N 3.39Å; A282-T285 PolarHBondContact O-N 2.87Å; A282-G286 WeakPolarHBondContact O-CA 3.19Å; A282-G286 PolarHBondContact O-N 3.17Å; A282-V287 WeakPolarHBondContact CA-O 3.16Å; A282-Y288 HydrophobicContact CB-CD2 3.73Å; A282-Y288 HydrophobicContact CB-CE2 4.3Å |
| 283 | L | 85.3 | Confident | 86.8 | Confident | 6 Ų | 6 | 7.8 Ų | 7.8 | 3% | 0.031 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -65.4 | -35.9 | 178.2 | -68.1 | 168.7 | 0 | 0 | 0 | 111.4 | F203 R206 T207 A279 T280 T285 L324 | F203-L283 HydrophobicContact CD1-CB 3.72Å; F203-L283 WeakPolarHBondContact CD1-O 3.17Å; F203-L283 HydrophobicContact CE1-CB 4.07Å; R206-L283 VanDerWaalsContact CB-O 3.31Å; R206-L283 WeakPolarHBondContact CB-O 3.26Å; R206-L283 WeakPolarHBondContact CD-O 3.14Å; T207-L283 WeakPolarHBondContact OG1-CD2 3.4Å; A279-L283 VanDerWaalsContact O-CB 3.31Å; A279-L283 WeakPolarHBondContact O-CB 3.34Å; A279-L283 WeakPolarHBondContact O-CD1 3.13Å; A279-L283 WeakPolarHBondContact O-CG 3.36Å; A279-L283 PolarHBondContact O-N 3.04Å; T280-L283 PolarHBondContact O-N 2.92Å; L283-T285 VanDerWaalsContact C-N 3.35Å; L283-L324 HydrophobicContact CD2-CB 4.34Å |
| 284 | A | 82.5 | Confident | 87.6 | Confident | 36 Ų | 36 | 8.4 Ų | 8.4 | 30% | 0.298 | 5% | 0.054 | S | C | . | . | H | α-helix | trans | -75.8 | -16.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R206 T280 T281 A282 | R206-A284 WeakPolarHBondContact CD-O 3.24Å; R206-A284 PolarHBondContact NE-O 3.4Å; R206-A284 PolarHBondContact NH1-O 2.93Å; T280-A284 WeakPolarHBondContact O-CB 3.25Å; T280-A284 PolarHBondContact O-N 3.26Å; T281-A284 PolarHBondContact O-N 2.95Å; A282-A284 VanDerWaalsContact C-N 3.3Å; A282-A284 PolarHBondContact O-N 3.39Å |
| 285 | T | 87.8 | Confident | 88.3 | Confident | 8 Ų | 8 | 9.4 Ų | 9.4 | 5% | 0.049 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -122.5 | -21 | -175 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | R18 P19 P22 T281 A282 L283 V287 | R18-T285 HydrophobicContact CB-CG2 4.26Å; R18-T285 WeakPolarHBondContact O-CB 3.38Å; R18-T285 WeakPolarHBondContact O-CG2 3.18Å; P19-T285 HydrophobicContact CB-CG2 4.49Å; P19-T285 HydrophobicContact CG-CG2 4.48Å; P22-T285 HydrophobicContact CG-CG2 4.43Å; P22-T285 WeakPolarHBondContact CG-O 3.48Å; T281-T285 WeakPolarHBondContact O-CB 3.38Å; T281-T285 VanDerWaalsContact O-CG2 3.29Å; T281-T285 WeakPolarHBondContact O-CG2 3.32Å; T281-T285 PolarHBondContact O-N 3.41Å; T281-T285 PolarHBondContact O-OG1 3.5Å; A282-T285 PolarHBondContact O-N 2.87Å; L283-T285 VanDerWaalsContact C-N 3.35Å; T285-V287 PolarHBondContact O-N 3.33Å; T285-V287 PolarHBondContact OG1-N 3.36Å; T285-V287 PolarHBondContact OG1-O 2.89Å |
| 286 | G | 89.2 | Confident | 88.8 | Confident | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.051 | C | C | . | . | S | Bend | trans | 69.6 | 15.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R206 I210 A282 | R206-G286 WeakPolarHBondContact O-CA 3.43Å; I210-G286 WeakPolarHBondContact CG1-O 3.43Å; A282-G286 WeakPolarHBondContact O-CA 3.19Å; A282-G286 PolarHBondContact O-N 3.17Å |
| 287 | V | 92.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.049 | C | C | . | . | trans | -117 | 121.7 | 177.8 | -171.7 | 0 | 0 | 0 | 0 | 109.4 | S9 V12 R18 L21 A282 T285 | S9-V287 WeakPolarHBondContact O-CG2 3.39Å; V12-V287 HydrophobicContact CG2-CG1 4.08Å; R18-V287 HydrophobicContact CB-CB 4.43Å; R18-V287 VanDerWaalsContact CD-O 3.24Å; R18-V287 WeakPolarHBondContact CD-O 3.28Å; R18-V287 HydrophobicContact CG-CB 4.27Å; R18-V287 HydrophobicContact CG-CG1 4.17Å; L21-V287 HydrophobicContact CB-CG2 4.03Å; L21-V287 HydrophobicContact CD1-CG1 3.89Å; L21-V287 HydrophobicContact CD1-CG2 4.44Å; A282-V287 WeakPolarHBondContact CA-O 3.16Å; T285-V287 PolarHBondContact O-N 3.33Å; T285-V287 PolarHBondContact OG1-N 3.36Å; T285-V287 PolarHBondContact OG1-O 2.89Å | ||
| 288 | Y | 94.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 168.1 | -174.7 | -161 | -128.7 | 0 | 0 | 0 | 113.5 | A10 A11 V12 I210 I217 I278 A282 E320 V321 L324 | A10-Y288 PolarHBondContact O-N 3.3Å; A11-Y288 WeakPolarHBondContact CA-O 3.22Å; A11-Y288 WeakPolarHBondContact CB-O 3.39Å; V12-Y288 PolarHBondContact N-O 2.99Å; V12-Y288 VanDerWaalsContact N-O 3.08Å; I210-Y288 HydrophobicContact CG2-CG 4.17Å; I217-Y288 HydrophobicContact CG2-CD1 3.88Å; I217-Y288 HydrophobicContact CG2-CE1 4.46Å; I278-Y288 HydrophobicContact CG2-CE2 4.29Å; A282-Y288 HydrophobicContact CB-CD2 3.73Å; A282-Y288 HydrophobicContact CB-CE2 4.3Å; Y288-E320 WeakPolarHBondContact OH-CB 3.24Å; Y288-E320 PolarHBondContact OH-OE2 3.39Å; Y288-V321 HydrophobicContact CD1-CG2 3.8Å; Y288-V321 HydrophobicContact CE1-CG2 3.54Å; Y288-V321 HydrophobicContact CG-CG2 4.45Å; Y288-L324 HydrophobicContact CD2-CD1 3.79Å; Y288-L324 HydrophobicContact CE2-CD1 3.65Å; Y288-L324 HydrophobicContact CE2-CD2 3.93Å; Y288-L324 HydrophobicContact CE2-CG 4.19Å |
| 289 | A | 93.3 | Very high | 90.6 | Very high | 7 Ų | 7 | 9 Ų | 9 | 6% | 0.058 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 133.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110 | V12 I278 A291 G292 | V12-A289 WeakPolarHBondContact O-CA 3.33Å; I278-A289 HydrophobicContact CG2-CB 3.77Å; A289-A291 VanDerWaalsContact C-N 3.26Å; A289-A291 PolarHBondContact O-N 3.01Å; A289-G292 WeakPolarHBondContact CB-O 3.35Å; A289-G292 PolarHBondContact O-N 3.07Å |
| 290 | V | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -38.9 | 178.9 | 157.3 | 0 | 0 | 0 | 0 | 112.9 | T2 A11 V12 F13 F66 V220 I224 | T2-V290 HydrophobicContact CG2-CG1 3.52Å; T2-V290 HydrophobicContact CG2-CG2 4.44Å; A11-V290 HydrophobicContact CB-CG2 3.97Å; V12-V290 VanDerWaalsContact C-CG2 3.49Å; V12-V290 PolarHBondContact O-N 2.71Å; V12-V290 VanDerWaalsContact O-N 3.09Å; F13-V290 HydrophobicContact CB-CB 4.33Å; F66-V290 HydrophobicContact CD1-CG1 4.48Å; F66-V290 HydrophobicContact CD2-CG1 4.34Å; F66-V290 HydrophobicContact CG-CG1 4.29Å; V220-V290 HydrophobicContact CG1-CG1 3.89Å; I224-V290 HydrophobicContact CD1-CG1 3.83Å |
| 291 | A | 92.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 8.7 Ų | 8.7 | 2% | 0.017 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 14.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I224 A289 T294 V296 Y297 | I224-A291 HydrophobicContact CD1-CB 4.3Å; A289-A291 VanDerWaalsContact C-N 3.26Å; A289-A291 PolarHBondContact O-N 3.01Å; A291-T294 WeakPolarHBondContact O-CA 3.47Å; A291-T294 PolarHBondContact O-N 3.35Å; A291-V296 HydrophobicContact CB-CG1 4.2Å; A291-V296 WeakPolarHBondContact O-CG1 3.19Å; A291-Y297 HydrophobicContact CB-CE1 3.98Å; A291-Y297 HydrophobicContact CB-CE2 4.17Å; A291-Y297 VanDerWaalsContact CB-OH 3.24Å; A291-Y297 WeakPolarHBondContact CB-OH 3.19Å |
| 292 | G | 92.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | -140.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I278 A289 T294 E320 | I278-G292 WeakPolarHBondContact CD1-O 3.4Å; A289-G292 WeakPolarHBondContact CB-O 3.35Å; A289-G292 PolarHBondContact O-N 3.07Å; G292-T294 PolarHBondContact O-N 3.41Å; G292-E320 WeakPolarHBondContact CA-OE2 3.25Å |
| 293 | F | 91.7 | Very high | 92.4 | Very high | 5 Ų | 5 | 13.4 Ų | 13.4 | 2% | 0.022 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 16.5 | 170.8 | -59.7 | -46.2 | 0 | 0 | 0 | 113.4 | G271 V275 I278 A279 F295 E320 L324 I327 | G271-F293 VanDerWaalsContact CA-O 3.29Å; G271-F293 WeakPolarHBondContact CA-O 3.48Å; V275-F293 HydrophobicContact CB-CD1 4.46Å; V275-F293 HydrophobicContact CG1-CD1 4.48Å; V275-F293 HydrophobicContact CG1-CE1 4.19Å; V275-F293 HydrophobicContact CG1-CE2 4.47Å; V275-F293 HydrophobicContact CG1-CZ 4.18Å; V275-F293 HydrophobicContact CG2-CB 4.25Å; V275-F293 HydrophobicContact CG2-CD1 4.24Å; V275-F293 HydrophobicContact CG2-CD2 4.36Å; V275-F293 HydrophobicContact CG2-CG 4.05Å; I278-F293 HydrophobicContact CB-CD1 3.74Å; I278-F293 HydrophobicContact CB-CE1 3.86Å; I278-F293 HydrophobicContact CD1-CD1 4.29Å; I278-F293 HydrophobicContact CG2-CD1 3.54Å; I278-F293 HydrophobicContact CG2-CE1 3.61Å; A279-F293 HydrophobicContact CB-CE1 3.96Å; A279-F293 HydrophobicContact CB-CZ 4.04Å; F293-F295 HydrophobicContact CB-CD2 3.7Å; F293-F295 HydrophobicContact CB-CE2 3.57Å; F293-F295 HydrophobicContact CB-CZ 4.44Å; F293-F295 HydrophobicContact CD2-CE2 4.3Å; F293-F295 HydrophobicContact CG-CE2 4.36Å; F293-F295 PolarHBondContact O-N 3.49Å; F293-E320 HydrophobicContact CD2-CB 3.87Å; F293-E320 HydrophobicContact CD2-CG 3.71Å; F293-E320 HydrophobicContact CE2-CB 4.06Å; F293-E320 HydrophobicContact CE2-CG 4.35Å; F293-E320 PolarHBondContact N-OE2 2.93Å; F293-L324 HydrophobicContact CE1-CD2 4.32Å; F293-L324 HydrophobicContact CZ-CD2 3.65Å; F293-I327 HydrophobicContact CE2-CD1 3.64Å; F293-I327 HydrophobicContact CZ-CD1 3.78Å |
| 294 | T | 91.5 | Very high | 92.6 | Very high | 15 Ų | 15 | 18.3 Ų | 18.3 | 9% | 0.092 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | -3.1 | 178.7 | 71.3 | 0 | 0 | 0 | 0 | 115.9 | G271 A291 G292 V296 Y297 | G271-T294 VanDerWaalsContact CA-OG1 3.29Å; G271-T294 WeakPolarHBondContact CA-OG1 3.31Å; A291-T294 WeakPolarHBondContact O-CA 3.47Å; A291-T294 PolarHBondContact O-N 3.35Å; G292-T294 PolarHBondContact O-N 3.41Å; T294-V296 PolarHBondContact O-N 3.48Å; T294-V296 VanDerWaalsContact O-N 3.11Å; T294-Y297 HydrophobicContact CG2-CD2 4.41Å; T294-Y297 HydrophobicContact CG2-CE2 4Å; T294-Y297 WeakPolarHBondContact O-CB 3.25Å; T294-Y297 WeakPolarHBondContact O-CD2 3.2Å; T294-Y297 PolarHBondContact O-N 3.44Å |
| 295 | F | 94.4 | Very high | 93.1 | Very high | 35 Ų | 35 | 19.8 Ų | 19.8 | 15% | 0.154 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.4 | -23.4 | 175.5 | -58.6 | -56.1 | 0 | 0 | 0 | 113.1 | F268 L272 V275 F293 Y297 A298 V299 V316 E320 | F268-F295 AromaticContact CD2-CD1 3.68Å; F268-F295 HydrophobicContact CD2-CD1 3.68Å; F268-F295 AromaticContact CD2-CE1 3.79Å; F268-F295 HydrophobicContact CD2-CE1 3.79Å; F268-F295 HydrophobicContact CE2-CD1 4.05Å; F268-F295 AromaticContact CE2-CE1 3.93Å; F268-F295 HydrophobicContact CE2-CE1 3.93Å; F268-F295 HydrophobicContact CG-CE1 4.45Å; L272-F295 HydrophobicContact CD2-CE1 4.39Å; L272-F295 HydrophobicContact CD2-CZ 3.96Å; L272-F295 HydrophobicContact CG-CE1 4.2Å; L272-F295 HydrophobicContact CG-CZ 4.19Å; V275-F295 HydrophobicContact CG2-CE2 4.3Å; V275-F295 HydrophobicContact CG2-CZ 4.26Å; F293-F295 HydrophobicContact CB-CD2 3.7Å; F293-F295 HydrophobicContact CB-CE2 3.57Å; F293-F295 HydrophobicContact CB-CZ 4.44Å; F293-F295 HydrophobicContact CD2-CE2 4.3Å; F293-F295 HydrophobicContact CG-CE2 4.36Å; F293-F295 PolarHBondContact O-N 3.49Å; F295-Y297 PolarHBondContact O-N 3.39Å; F295-A298 PolarHBondContact O-N 2.92Å; F295-V299 WeakPolarHBondContact O-CG2 3.29Å; F295-V299 PolarHBondContact O-N 3Å; F295-V316 HydrophobicContact CB-CG1 4.01Å; F295-E320 WeakPolarHBondContact CB-OE1 3.33Å; F295-E320 HydrophobicContact CD2-CG 4.49Å; F295-E320 VanDerWaalsContact CD2-OE1 3.28Å; F295-E320 WeakPolarHBondContact CD2-OE1 3.47Å |
| 296 | V | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -55.1 | -30.8 | 172.5 | 71.3 | 0 | 0 | 0 | 0 | 112.8 | G221 I224 A225 A291 T294 G300 I317 | G221-V296 VanDerWaalsContact O-CG2 3.24Å; G221-V296 WeakPolarHBondContact O-CG2 3.49Å; I224-V296 HydrophobicContact CB-CG2 4.3Å; I224-V296 HydrophobicContact CG2-CG1 3.81Å; I224-V296 HydrophobicContact CG2-CG2 4.18Å; A225-V296 HydrophobicContact CB-CG2 3.8Å; A291-V296 HydrophobicContact CB-CG1 4.2Å; A291-V296 WeakPolarHBondContact O-CG1 3.19Å; T294-V296 PolarHBondContact O-N 3.48Å; T294-V296 VanDerWaalsContact O-N 3.11Å; V296-G300 PolarHBondContact O-N 3.22Å; V296-I317 HydrophobicContact CB-CD1 4.26Å; V296-I317 HydrophobicContact CB-CG1 4.33Å; V296-I317 HydrophobicContact CG2-CG1 4.34Å |
| 297 | Y | 94.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.1 | -50.1 | 176.7 | -57.1 | -37.4 | 0 | 0 | 0 | 111.5 | A62 I224 F233 G235 A291 T294 F295 V299 G300 Y301 | A62-Y297 WeakPolarHBondContact CB-OH 3.41Å; I224-Y297 HydrophobicContact CG2-CD1 3.7Å; I224-Y297 HydrophobicContact CG2-CE1 3.46Å; I224-Y297 VanDerWaalsContact CG2-CE1 3.46Å; F233-Y297 AromaticContact CE1-CD1 3.82Å; F233-Y297 HydrophobicContact CE1-CD1 3.82Å; F233-Y297 AromaticContact CE1-CE1 3.56Å; F233-Y297 HydrophobicContact CE1-CE1 3.56Å; F233-Y297 AromaticContact CZ-CE1 3.83Å; F233-Y297 HydrophobicContact CZ-CE1 3.83Å; G235-Y297 WeakPolarHBondContact O-CE2 3.45Å; A291-Y297 HydrophobicContact CB-CE1 3.98Å; A291-Y297 HydrophobicContact CB-CE2 4.17Å; A291-Y297 VanDerWaalsContact CB-OH 3.24Å; A291-Y297 WeakPolarHBondContact CB-OH 3.19Å; T294-Y297 HydrophobicContact CG2-CD2 4.41Å; T294-Y297 HydrophobicContact CG2-CE2 4Å; T294-Y297 WeakPolarHBondContact O-CB 3.25Å; T294-Y297 WeakPolarHBondContact O-CD2 3.2Å; T294-Y297 PolarHBondContact O-N 3.44Å; F295-Y297 PolarHBondContact O-N 3.39Å; Y297-V299 VanDerWaalsContact C-N 3.27Å; Y297-V299 PolarHBondContact O-N 3.45Å; Y297-G300 WeakPolarHBondContact O-CA 3.46Å; Y297-G300 PolarHBondContact O-N 2.98Å; Y297-G300 VanDerWaalsContact O-N 3.08Å; Y297-Y301 WeakPolarHBondContact O-CD1 3.4Å; Y297-Y301 WeakPolarHBondContact O-CD2 3.45Å; Y297-Y301 PolarHBondContact O-N 2.66Å |
| 298 | A | 94 | Very high | 93.9 | Very high | 8 Ų | 8 | 31.7 Ų | 31.7 | 7% | 0.066 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.1 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | A264 E267 F295 Y301 L302 | A264-A298 HydrophobicContact CB-CB 4.36Å; E267-A298 HydrophobicContact CB-CB 4.26Å; F295-A298 PolarHBondContact O-N 2.92Å; A298-Y301 PolarHBondContact O-N 3.46Å; A298-L302 WeakPolarHBondContact O-CB 3.46Å; A298-L302 VanDerWaalsContact O-CG 3.32Å; A298-L302 WeakPolarHBondContact O-CG 3.36Å; A298-L302 PolarHBondContact O-N 3.21Å; A298-L302 VanDerWaalsContact O-N 3.11Å |
| 299 | V | 95.3 | Very high | 94 | Very high | 33 Ų | 33 | 31.7 Ų | 31.7 | 20% | 0.2 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.9 | -42.9 | 175.5 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | F295 Y297 L302 S303 L312 V316 | F295-V299 WeakPolarHBondContact O-CG2 3.29Å; F295-V299 PolarHBondContact O-N 3Å; Y297-V299 VanDerWaalsContact C-N 3.27Å; Y297-V299 PolarHBondContact O-N 3.45Å; V299-L302 PolarHBondContact O-N 2.97Å; V299-S303 WeakPolarHBondContact O-CB 3.33Å; V299-S303 PolarHBondContact O-N 3.44Å; V299-S303 VanDerWaalsContact O-N 3.1Å; V299-S303 PolarHBondContact O-OG 3.47Å; V299-L312 HydrophobicContact CG1-CB 3.42Å; V299-L312 VanDerWaalsContact CG1-CB 3.42Å; V299-L312 HydrophobicContact CG1-CD1 4.23Å; V299-L312 HydrophobicContact CG1-CG 4.46Å; V299-V316 HydrophobicContact CG1-CG2 4.47Å; V299-V316 HydrophobicContact CG2-CG2 3.83Å |
| 300 | G | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A225 S229 V296 Y297 L302 S303 | A225-G300 WeakPolarHBondContact O-CA 3.33Å; S229-G300 WeakPolarHBondContact CA-O 3.43Å; S229-G300 VanDerWaalsContact CB-O 3.24Å; S229-G300 WeakPolarHBondContact CB-O 3.44Å; V296-G300 PolarHBondContact O-N 3.22Å; Y297-G300 WeakPolarHBondContact O-CA 3.46Å; Y297-G300 PolarHBondContact O-N 2.98Å; Y297-G300 VanDerWaalsContact O-N 3.08Å; G300-L302 PolarHBondContact O-N 3.46Å; G300-S303 PolarHBondContact O-N 2.79Å |
| 301 | Y | 94.8 | Very high | 94.3 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 5% | 0.047 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.3 | -37.1 | -179.7 | -57.5 | -22.4 | 0 | 0 | 0 | 113.5 | A228 A234 G235 S239 L243 I260 A264 E267 Y297 A298 S303 | A228-Y301 HydrophobicContact CB-CD1 3.91Å; A228-Y301 HydrophobicContact CB-CE1 3.85Å; A234-Y301 WeakPolarHBondContact CA-OH 3.4Å; G235-Y301 PolarHBondContact N-OH 3.16Å; S239-Y301 PolarHBondContact OG-OH 3.24Å; L243-Y301 HydrophobicContact CD1-CD1 4.09Å; L243-Y301 HydrophobicContact CD1-CD2 4.31Å; L243-Y301 HydrophobicContact CD1-CE1 3.6Å; L243-Y301 HydrophobicContact CD1-CE2 3.82Å; L243-Y301 HydrophobicContact CD1-CG 4.44Å; L243-Y301 VanDerWaalsContact CD1-CZ 3.45Å; I260-Y301 WeakPolarHBondContact CG2-O 3.39Å; A264-Y301 HydrophobicContact CB-CD2 4.31Å; E267-Y301 HydrophobicContact CG-CD2 4.43Å; E267-Y301 HydrophobicContact CG-CE2 3.59Å; Y297-Y301 WeakPolarHBondContact O-CD1 3.4Å; Y297-Y301 WeakPolarHBondContact O-CD2 3.45Å; Y297-Y301 PolarHBondContact O-N 2.66Å; A298-Y301 PolarHBondContact O-N 3.46Å; Y301-S303 VanDerWaalsContact C-N 3.34Å |
| 302 | L | 94.5 | Very high | 94.6 | Very high | 96 Ų | 96 | 40.3 Ų | 40.3 | 50% | 0.503 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -85.2 | -8.9 | -178.2 | -65 | 174.3 | 0 | 0 | 0 | 113.3 | N261 A264 A298 V299 G300 | N261-L302 WeakPolarHBondContact OD1-CD2 3.44Å; A264-L302 HydrophobicContact CB-CD1 3.84Å; A264-L302 HydrophobicContact CB-CD2 3.75Å; A264-L302 HydrophobicContact CB-CG 3.59Å; A298-L302 WeakPolarHBondContact O-CB 3.46Å; A298-L302 VanDerWaalsContact O-CG 3.32Å; A298-L302 WeakPolarHBondContact O-CG 3.36Å; A298-L302 PolarHBondContact O-N 3.21Å; A298-L302 VanDerWaalsContact O-N 3.11Å; V299-L302 PolarHBondContact O-N 2.97Å; G300-L302 PolarHBondContact O-N 3.46Å |
| 303 | S | 94.8 | Very high | 94.7 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 11% | 0.105 | 23% | 0.23 | C | C | . | . | trans | -76 | 141.3 | -176.9 | -72.4 | 0 | 0 | 0 | 0 | 111.9 | V299 G300 Y301 N305 A309 | V299-S303 WeakPolarHBondContact O-CB 3.33Å; V299-S303 PolarHBondContact O-N 3.44Å; V299-S303 VanDerWaalsContact O-N 3.1Å; V299-S303 PolarHBondContact O-OG 3.47Å; G300-S303 PolarHBondContact O-N 2.79Å; Y301-S303 VanDerWaalsContact C-N 3.34Å; S303-N305 PolarHBondContact O-N 2.72Å; S303-A309 VanDerWaalsContact CB-CB 3.45Å; S303-A309 WeakPolarHBondContact OG-CA 3.41Å | ||
| 304 | P | 90.6 | Very high | 95 | Very high | 109 Ų | 109 | 41.2 Ų | 41.2 | 71% | 0.708 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -74.1 | -25.4 | -175.8 | 28.8 | -35.5 | 0 | 0 | 0 | 113.6 | V308 | P304-V308 HydrophobicContact CG-CB 4.31Å; P304-V308 HydrophobicContact CG-CG1 4.21Å; P304-V308 HydrophobicContact CG-CG2 4.45Å |
| 305 | N | 93.1 | Very high | 95.2 | Very high | 67 Ų | 67 | 44.7 Ų | 44.7 | 36% | 0.358 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -155.7 | 162.7 | 178.5 | 65.1 | 67.7 | 0 | 0 | 0 | 111.6 | S303 M307 V308 A309 | S303-N305 PolarHBondContact O-N 2.72Å; N305-M307 VanDerWaalsContact C-N 3.31Å; N305-M307 PolarHBondContact O-N 3.34Å; N305-M307 PolarHBondContact OD1-N 3.31Å; N305-M307 VanDerWaalsContact OD1-N 3.16Å; N305-V308 WeakPolarHBondContact ND2-CG2 3.5Å; N305-V308 PolarHBondContact O-N 3.27Å; N305-V308 WeakPolarHBondContact OD1-CG2 3.31Å; N305-V308 PolarHBondContact OD1-N 3.31Å; N305-A309 WeakPolarHBondContact O-CB 3.26Å; N305-A309 PolarHBondContact O-N 2.89Å |
| 306 | P | 94.5 | Very high | 95.3 | Very high | 49 Ų | 49 | 44.6 Ų | 44.6 | 32% | 0.318 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.7 | -29.5 | -175.7 | -24.5 | 34.5 | 0 | 0 | 0 | 115.6 | A226 S229 M230 A310 | A226-P306 HydrophobicContact CB-CB 4.3Å; S229-P306 WeakPolarHBondContact OG-CA 3.19Å; M230-P306 HydrophobicContact CG-CB 4.2Å; M230-P306 HydrophobicContact CG-CG 3.66Å; P306-A310 WeakPolarHBondContact O-CB 3.31Å; P306-A310 PolarHBondContact O-N 2.94Å |
| 307 | M | 94.8 | Very high | 95.3 | Very high | 152 Ų | 152 | 44.6 Ų | 44.6 | 75% | 0.749 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -73.4 | -44.2 | -180 | -65.7 | -64.2 | 175.7 | 0 | 0 | 111.2 | N305 A309 A310 V311 | N305-M307 VanDerWaalsContact C-N 3.31Å; N305-M307 PolarHBondContact O-N 3.34Å; N305-M307 PolarHBondContact OD1-N 3.31Å; N305-M307 VanDerWaalsContact OD1-N 3.16Å; M307-A309 VanDerWaalsContact C-N 3.34Å; M307-A310 WeakPolarHBondContact O-CB 3.38Å; M307-A310 PolarHBondContact O-N 3.15Å; M307-V311 PolarHBondContact O-N 3.3Å; M307-V311 VanDerWaalsContact O-N 3.15Å |
| 308 | V | 96.3 | Very high | 95.3 | Very high | 57 Ų | 57 | 45.9 Ų | 45.9 | 35% | 0.345 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 173.6 | 174.4 | 0 | 0 | 0 | 0 | 110 | P304 N305 A310 V311 L312 | P304-V308 HydrophobicContact CG-CB 4.31Å; P304-V308 HydrophobicContact CG-CG1 4.21Å; P304-V308 HydrophobicContact CG-CG2 4.45Å; N305-V308 WeakPolarHBondContact ND2-CG2 3.5Å; N305-V308 PolarHBondContact O-N 3.27Å; N305-V308 WeakPolarHBondContact OD1-CG2 3.31Å; N305-V308 PolarHBondContact OD1-N 3.31Å; V308-A310 VanDerWaalsContact C-N 3.29Å; V308-A310 PolarHBondContact O-N 3.39Å; V308-V311 PolarHBondContact O-N 3.21Å; V308-L312 HydrophobicContact CG1-CD1 3.79Å; V308-L312 HydrophobicContact CG1-CG 4.21Å; V308-L312 WeakPolarHBondContact O-CG 3.13Å; V308-L312 PolarHBondContact O-N 3.45Å |
| 309 | A | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.3 | -43 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A225 S303 N305 M307 V311 L312 G313 | A225-A309 HydrophobicContact CB-CB 4.28Å; A225-A309 WeakPolarHBondContact CB-O 3.49Å; A225-A309 WeakPolarHBondContact O-CB 3.35Å; S303-A309 VanDerWaalsContact CB-CB 3.45Å; S303-A309 WeakPolarHBondContact OG-CA 3.41Å; N305-A309 WeakPolarHBondContact O-CB 3.26Å; N305-A309 PolarHBondContact O-N 2.89Å; M307-A309 VanDerWaalsContact C-N 3.34Å; A309-V311 PolarHBondContact O-N 3.42Å; A309-L312 PolarHBondContact O-N 2.82Å; A309-G313 PolarHBondContact O-N 3.28Å |
| 310 | A | 96.8 | Very high | 95.4 | Very high | 23 Ų | 23 | 46.5 Ų | 46.5 | 19% | 0.19 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A222 A226 P306 M307 V308 A314 | A222-A310 VanDerWaalsContact CA-O 3.24Å; A222-A310 WeakPolarHBondContact CA-O 3.49Å; A222-A310 HydrophobicContact CB-CB 4.11Å; A222-A310 WeakPolarHBondContact CB-O 3.33Å; A222-A310 WeakPolarHBondContact O-CA 3.5Å; A226-A310 HydrophobicContact CB-CB 4.19Å; P306-A310 WeakPolarHBondContact O-CB 3.31Å; P306-A310 PolarHBondContact O-N 2.94Å; M307-A310 WeakPolarHBondContact O-CB 3.38Å; M307-A310 PolarHBondContact O-N 3.15Å; V308-A310 VanDerWaalsContact C-N 3.29Å; V308-A310 PolarHBondContact O-N 3.39Å; A310-A314 WeakPolarHBondContact O-CB 3.4Å; A310-A314 PolarHBondContact O-N 3.04Å |
| 311 | V | 97.3 | Very high | 95.2 | Very high | 94 Ų | 94 | 46.6 Ų | 46.6 | 57% | 0.57 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.1 | -48.7 | 178.4 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | M307 V308 A309 G313 A314 V315 | M307-V311 PolarHBondContact O-N 3.3Å; M307-V311 VanDerWaalsContact O-N 3.15Å; V308-V311 PolarHBondContact O-N 3.21Å; A309-V311 PolarHBondContact O-N 3.42Å; V311-G313 VanDerWaalsContact C-N 3.35Å; V311-G313 PolarHBondContact O-N 2.92Å; V311-A314 PolarHBondContact O-N 3.03Å; V311-V315 WeakPolarHBondContact O-CG2 3.39Å; V311-V315 PolarHBondContact O-N 3.45Å |
| 312 | L | 97.2 | Very high | 95 | Very high | 74 Ų | 74 | 51 Ų | 51 | 39% | 0.387 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 179.8 | -67 | 176.4 | 0 | 0 | 0 | 111.8 | V299 V308 A309 A314 V315 V316 | V299-L312 HydrophobicContact CG1-CB 3.42Å; V299-L312 VanDerWaalsContact CG1-CB 3.42Å; V299-L312 HydrophobicContact CG1-CD1 4.23Å; V299-L312 HydrophobicContact CG1-CG 4.46Å; V308-L312 HydrophobicContact CG1-CD1 3.79Å; V308-L312 HydrophobicContact CG1-CG 4.21Å; V308-L312 WeakPolarHBondContact O-CG 3.13Å; V308-L312 PolarHBondContact O-N 3.45Å; A309-L312 PolarHBondContact O-N 2.82Å; L312-A314 PolarHBondContact O-N 3.42Å; L312-V315 PolarHBondContact O-N 3.46Å; L312-V316 WeakPolarHBondContact O-CB 3.43Å; L312-V316 WeakPolarHBondContact O-CG2 3.32Å; L312-V316 PolarHBondContact O-N 3.31Å |
| 313 | G | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A309 V311 V316 I317 | A309-G313 PolarHBondContact O-N 3.28Å; V311-G313 VanDerWaalsContact C-N 3.35Å; V311-G313 PolarHBondContact O-N 2.92Å; G313-V316 PolarHBondContact O-N 3.15Å; G313-I317 WeakPolarHBondContact O-CB 3.09Å; G313-I317 WeakPolarHBondContact O-CG1 3.46Å; G313-I317 PolarHBondContact O-N 3.29Å; G313-I317 VanDerWaalsContact O-N 3.07Å |
| 314 | A | 96.7 | Very high | 94.5 | Very high | 25 Ų | 25 | 50.1 Ų | 50.1 | 21% | 0.207 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | A222 A310 V311 L312 S318 | A222-A314 HydrophobicContact CB-CB 4.06Å; A310-A314 WeakPolarHBondContact O-CB 3.4Å; A310-A314 PolarHBondContact O-N 3.04Å; V311-A314 PolarHBondContact O-N 3.03Å; L312-A314 PolarHBondContact O-N 3.42Å; A314-S318 VanDerWaalsContact O-CB 3.24Å; A314-S318 WeakPolarHBondContact O-CB 3.15Å; A314-S318 PolarHBondContact O-N 2.87Å; A314-S318 PolarHBondContact O-OG 2.91Å |
| 315 | V | 97 | Very high | 94 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 53% | 0.527 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64 | -46.8 | 178.9 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | V311 L312 S318 A319 | V311-V315 WeakPolarHBondContact O-CG2 3.39Å; V311-V315 PolarHBondContact O-N 3.45Å; L312-V315 PolarHBondContact O-N 3.46Å; V315-S318 PolarHBondContact O-N 3.17Å; V315-A319 WeakPolarHBondContact O-CB 3.39Å; V315-A319 PolarHBondContact O-N 3.25Å |
| 316 | V | 96.5 | Very high | 93.6 | Very high | 33 Ų | 33 | 51.4 Ų | 51.4 | 20% | 0.2 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.7 | -53.5 | -178.6 | 169 | 0 | 0 | 0 | 0 | 110.5 | F295 V299 L312 G313 S318 A319 E320 | F295-V316 HydrophobicContact CB-CG1 4.01Å; V299-V316 HydrophobicContact CG1-CG2 4.47Å; V299-V316 HydrophobicContact CG2-CG2 3.83Å; L312-V316 WeakPolarHBondContact O-CB 3.43Å; L312-V316 WeakPolarHBondContact O-CG2 3.32Å; L312-V316 PolarHBondContact O-N 3.31Å; G313-V316 PolarHBondContact O-N 3.15Å; V316-S318 PolarHBondContact O-N 3.01Å; V316-A319 WeakPolarHBondContact O-CB 3.48Å; V316-A319 PolarHBondContact O-N 3.28Å; V316-A319 VanDerWaalsContact O-N 3.11Å; V316-E320 HydrophobicContact CG1-CG 4.41Å; V316-E320 WeakPolarHBondContact CG1-OE1 3.31Å; V316-E320 VanDerWaalsContact O-CG 3.3Å; V316-E320 WeakPolarHBondContact O-CG 3.46Å; V316-E320 PolarHBondContact O-N 3.45Å |
| 317 | I | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.7 | -38.4 | 177.5 | -72.8 | -60.2 | 0 | 0 | 0 | 111.6 | I217 V296 G313 E320 V321 | I217-I317 HydrophobicContact CG2-CG2 3.6Å; V296-I317 HydrophobicContact CB-CD1 4.26Å; V296-I317 HydrophobicContact CB-CG1 4.33Å; V296-I317 HydrophobicContact CG2-CG1 4.34Å; G313-I317 WeakPolarHBondContact O-CB 3.09Å; G313-I317 WeakPolarHBondContact O-CG1 3.46Å; G313-I317 PolarHBondContact O-N 3.29Å; G313-I317 VanDerWaalsContact O-N 3.07Å; I317-E320 PolarHBondContact O-N 3.4Å; I317-V321 WeakPolarHBondContact O-CG2 3.37Å; I317-V321 PolarHBondContact O-N 3.46Å |
| 318 | S | 95.3 | Very high | 92.3 | Very high | 30 Ų | 30 | 44.1 Ų | 44.1 | 21% | 0.21 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 176.6 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | A314 V315 V316 V321 L322 | A314-S318 VanDerWaalsContact O-CB 3.24Å; A314-S318 WeakPolarHBondContact O-CB 3.15Å; A314-S318 PolarHBondContact O-N 2.87Å; A314-S318 PolarHBondContact O-OG 2.91Å; V315-S318 PolarHBondContact O-N 3.17Å; V316-S318 PolarHBondContact O-N 3.01Å; S318-V321 PolarHBondContact O-N 3.39Å; S318-L322 VanDerWaalsContact O-CG 3.24Å; S318-L322 WeakPolarHBondContact O-CG 3.33Å; S318-L322 PolarHBondContact O-N 3.45Å |
| 319 | A | 95 | Very high | 91.5 | Very high | 45 Ų | 45 | 46.9 Ų | 46.9 | 37% | 0.372 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V315 V316 V321 L322 L323 | V315-A319 WeakPolarHBondContact O-CB 3.39Å; V315-A319 PolarHBondContact O-N 3.25Å; V316-A319 WeakPolarHBondContact O-CB 3.48Å; V316-A319 PolarHBondContact O-N 3.28Å; V316-A319 VanDerWaalsContact O-N 3.11Å; A319-V321 PolarHBondContact O-N 2.98Å; A319-L322 PolarHBondContact O-N 2.82Å; A319-L323 WeakPolarHBondContact O-CB 3.41Å; A319-L323 VanDerWaalsContact O-CG 3.23Å; A319-L323 WeakPolarHBondContact O-CG 3.28Å; A319-L323 PolarHBondContact O-N 3.34Å |
| 320 | E | 94.5 | Very high | 90.8 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59 | -47.4 | 177.3 | -68.7 | 177.3 | -172.4 | 0 | 0 | 112 | Y288 G292 F293 F295 V316 I317 L322 L323 L324 | Y288-E320 WeakPolarHBondContact OH-CB 3.24Å; Y288-E320 PolarHBondContact OH-OE2 3.39Å; G292-E320 WeakPolarHBondContact CA-OE2 3.25Å; F293-E320 HydrophobicContact CD2-CB 3.87Å; F293-E320 HydrophobicContact CD2-CG 3.71Å; F293-E320 HydrophobicContact CE2-CB 4.06Å; F293-E320 HydrophobicContact CE2-CG 4.35Å; F293-E320 PolarHBondContact N-OE2 2.93Å; F295-E320 WeakPolarHBondContact CB-OE1 3.33Å; F295-E320 HydrophobicContact CD2-CG 4.49Å; F295-E320 VanDerWaalsContact CD2-OE1 3.28Å; F295-E320 WeakPolarHBondContact CD2-OE1 3.47Å; V316-E320 HydrophobicContact CG1-CG 4.41Å; V316-E320 WeakPolarHBondContact CG1-OE1 3.31Å; V316-E320 VanDerWaalsContact O-CG 3.3Å; V316-E320 WeakPolarHBondContact O-CG 3.46Å; V316-E320 PolarHBondContact O-N 3.45Å; I317-E320 PolarHBondContact O-N 3.4Å; E320-L322 VanDerWaalsContact C-N 3.34Å; E320-L322 PolarHBondContact O-N 2.99Å; E320-L323 PolarHBondContact O-N 2.96Å; E320-L324 PolarHBondContact O-N 2.64Å; E320-L324 VanDerWaalsContact O-N 3.14Å |
| 321 | V | 92.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 178 | 170 | 0 | 0 | 0 | 0 | 111.4 | I210 I211 L214 I217 Y288 I317 S318 A319 L323 L324 | I210-V321 HydrophobicContact CG2-CG1 3.74Å; I210-V321 HydrophobicContact CG2-CG2 4.23Å; I211-V321 HydrophobicContact CG1-CG1 4.14Å; L214-V321 HydrophobicContact CD1-CB 3.7Å; L214-V321 HydrophobicContact CD1-CG1 3.79Å; L214-V321 HydrophobicContact CD1-CG2 3.91Å; I217-V321 HydrophobicContact CG2-CG2 4.46Å; Y288-V321 HydrophobicContact CD1-CG2 3.8Å; Y288-V321 HydrophobicContact CE1-CG2 3.54Å; Y288-V321 HydrophobicContact CG-CG2 4.45Å; I317-V321 WeakPolarHBondContact O-CG2 3.37Å; I317-V321 PolarHBondContact O-N 3.46Å; S318-V321 PolarHBondContact O-N 3.39Å; A319-V321 PolarHBondContact O-N 2.98Å; V321-L323 VanDerWaalsContact C-N 3.3Å; V321-L323 PolarHBondContact O-N 3.16Å; V321-L324 HydrophobicContact CG1-CD1 4.46Å; V321-L324 WeakPolarHBondContact O-CB 3.35Å; V321-L324 PolarHBondContact O-N 3.1Å |
| 322 | L | 90.8 | Very high | 88.7 | Confident | 106 Ų | 106 | 49 Ų | 49 | 56% | 0.555 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -67.2 | -32.6 | 177.1 | -67.9 | 172.6 | 0 | 0 | 0 | 112.1 | S318 A319 E320 L324 | S318-L322 VanDerWaalsContact O-CG 3.24Å; S318-L322 WeakPolarHBondContact O-CG 3.33Å; S318-L322 PolarHBondContact O-N 3.45Å; A319-L322 PolarHBondContact O-N 2.82Å; E320-L322 VanDerWaalsContact C-N 3.34Å; E320-L322 PolarHBondContact O-N 2.99Å; L322-L324 VanDerWaalsContact C-N 3.31Å; L322-L324 PolarHBondContact O-N 2.98Å |
| 323 | L | 90.6 | Very high | 87.8 | Confident | 91 Ų | 91 | 54.2 Ų | 54.2 | 48% | 0.476 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -73.1 | -19 | 176.3 | -74.1 | 168.2 | 0 | 0 | 0 | 113.4 | A319 E320 V321 R325 S326 I327 | A319-L323 WeakPolarHBondContact O-CB 3.41Å; A319-L323 VanDerWaalsContact O-CG 3.23Å; A319-L323 WeakPolarHBondContact O-CG 3.28Å; A319-L323 PolarHBondContact O-N 3.34Å; E320-L323 PolarHBondContact O-N 2.96Å; V321-L323 VanDerWaalsContact C-N 3.3Å; V321-L323 PolarHBondContact O-N 3.16Å; L323-R325 PolarHBondContact O-N 3.03Å; L323-R325 VanDerWaalsContact O-N 3.13Å; L323-S326 PolarHBondContact O-N 3.38Å; L323-I327 HydrophobicContact CB-CD1 4.1Å; L323-I327 WeakPolarHBondContact O-CG1 3.36Å; L323-I327 PolarHBondContact O-N 2.91Å |
| 324 | L | 87.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.3 | -37.8 | -179.2 | -74.8 | 171 | 0 | 0 | 0 | 113 | I210 A279 L283 Y288 F293 E320 V321 L322 S326 I327 G328 | I210-L324 HydrophobicContact CD1-CD1 4.09Å; I210-L324 HydrophobicContact CG2-CD1 4.18Å; A279-L324 HydrophobicContact CB-CD2 4.18Å; L283-L324 HydrophobicContact CD2-CB 4.34Å; Y288-L324 HydrophobicContact CD2-CD1 3.79Å; Y288-L324 HydrophobicContact CE2-CD1 3.65Å; Y288-L324 HydrophobicContact CE2-CD2 3.93Å; Y288-L324 HydrophobicContact CE2-CG 4.19Å; F293-L324 HydrophobicContact CE1-CD2 4.32Å; F293-L324 HydrophobicContact CZ-CD2 3.65Å; E320-L324 PolarHBondContact O-N 2.64Å; E320-L324 VanDerWaalsContact O-N 3.14Å; V321-L324 HydrophobicContact CG1-CD1 4.46Å; V321-L324 WeakPolarHBondContact O-CB 3.35Å; V321-L324 PolarHBondContact O-N 3.1Å; L322-L324 VanDerWaalsContact C-N 3.31Å; L322-L324 PolarHBondContact O-N 2.98Å; L324-S326 PolarHBondContact O-N 3Å; L324-I327 PolarHBondContact O-N 3.36Å; L324-G328 PolarHBondContact O-N 3.04Å |
| 325 | R | 80.6 | Confident | 86.3 | Confident | 126 Ų | 126 | 57.1 Ų | 57.1 | 48% | 0.475 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 178.8 | -167.1 | 174.8 | -178.3 | -157.1 | -0.4 | 111.7 | E204 T207 L323 K329 | E204-R325 IonicContact OE1-CZ 3.34Å; E204-R325 IonicContact OE1-NE 3.46Å; E204-R325 PolarHBondContact OE1-NE 3Å; E204-R325 IonicContact OE1-NH2 2.62Å; E204-R325 PolarHBondContact OE1-NH2 3.44Å; T207-R325 HydrophobicContact CG2-CB 4.36Å; L323-R325 PolarHBondContact O-N 3.03Å; L323-R325 VanDerWaalsContact O-N 3.13Å; R325-K329 WeakPolarHBondContact O-CG 3.47Å; R325-K329 PolarHBondContact O-N 2.94Å; R325-K329 VanDerWaalsContact O-N 3.15Å |
| 326 | S | 85.3 | Confident | 85.7 | Confident | 77 Ų | 77 | 53.4 Ų | 53.4 | 54% | 0.538 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.8 | -43.2 | 177.6 | -63.4 | 0 | 0 | 0 | 0 | 111.5 | L323 L324 G328 K329 W330 | L323-S326 PolarHBondContact O-N 3.38Å; L324-S326 PolarHBondContact O-N 3Å; S326-G328 VanDerWaalsContact C-N 3.33Å; S326-G328 PolarHBondContact O-N 3.46Å; S326-K329 PolarHBondContact O-N 2.83Å; S326-W330 PolarHBondContact O-N 3.17Å |
| 327 | I | 83.9 | Confident | 85 | Confident | 34 Ų | 34 | 51.9 Ų | 51.9 | 17% | 0.174 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 176 | -64.6 | 168.2 | 0 | 0 | 0 | 110.1 | V275 A279 F293 L323 L324 K329 W330 L331 | V275-I327 HydrophobicContact CG1-CD1 4.18Å; V275-I327 HydrophobicContact CG1-CG2 4.31Å; A279-I327 HydrophobicContact CB-CG2 3.65Å; F293-I327 HydrophobicContact CE2-CD1 3.64Å; F293-I327 HydrophobicContact CZ-CD1 3.78Å; L323-I327 HydrophobicContact CB-CD1 4.1Å; L323-I327 WeakPolarHBondContact O-CG1 3.36Å; L323-I327 PolarHBondContact O-N 2.91Å; L324-I327 PolarHBondContact O-N 3.36Å; I327-K329 PolarHBondContact O-N 3.45Å; I327-W330 WeakPolarHBondContact O-CB 3.14Å; I327-W330 PolarHBondContact O-N 3.41Å; I327-W330 VanDerWaalsContact O-N 3.09Å; I327-L331 HydrophobicContact CG2-CD1 3.88Å; I327-L331 HydrophobicContact CG2-CG 4.2Å; I327-L331 WeakPolarHBondContact O-CG 3.32Å; I327-L331 PolarHBondContact O-N 3.4Å |
| 328 | G | 77 | Confident | 84 | Confident | 14 Ų | 14 | 57.1 Ų | 57.1 | 14% | 0.144 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L324 S326 W330 L331 G332 | L324-G328 PolarHBondContact O-N 3.04Å; S326-G328 VanDerWaalsContact C-N 3.33Å; S326-G328 PolarHBondContact O-N 3.46Å; G328-W330 VanDerWaalsContact C-N 3.28Å; G328-W330 PolarHBondContact O-N 3.46Å; G328-L331 PolarHBondContact O-N 2.91Å; G328-G332 PolarHBondContact O-N 3.23Å |
| 329 | K | 79 | Confident | 83.1 | Confident | 116 Ų | 116 | 59.5 Ų | 59.5 | 50% | 0.504 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.7 | -37 | 173.1 | -74.3 | -179.6 | -178.2 | -175.7 | 0 | 112.3 | R325 S326 I327 | R325-K329 WeakPolarHBondContact O-CG 3.47Å; R325-K329 PolarHBondContact O-N 2.94Å; R325-K329 VanDerWaalsContact O-N 3.15Å; S326-K329 PolarHBondContact O-N 2.83Å; I327-K329 PolarHBondContact O-N 3.45Å |
| 330 | W | 82.5 | Confident | 82.5 | Confident | 98 Ų | 98 | 57.4 Ų | 57.4 | 37% | 0.371 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70.9 | -45.2 | 177.5 | -177.6 | 85.8 | 0 | 0 | 0 | 111.9 | I183 S326 I327 G328 G332 R333 Y334 V337 | I183-W330 HydrophobicContact CD1-CH2 4.2Å; I183-W330 HydrophobicContact CD1-CZ2 3.93Å; S326-W330 PolarHBondContact O-N 3.17Å; I327-W330 WeakPolarHBondContact O-CB 3.14Å; I327-W330 PolarHBondContact O-N 3.41Å; I327-W330 VanDerWaalsContact O-N 3.09Å; G328-W330 VanDerWaalsContact C-N 3.28Å; G328-W330 PolarHBondContact O-N 3.46Å; W330-G332 VanDerWaalsContact C-N 3.26Å; W330-G332 PolarHBondContact O-N 2.9Å; W330-R333 WeakPolarHBondContact O-CB 3.36Å; W330-R333 PolarHBondContact O-N 3.45Å; W330-Y334 HydrophobicContact CD2-CD2 4.3Å; W330-Y334 AromaticContact CE2-CD2 3.91Å; W330-Y334 AromaticContact CE2-CE2 3.89Å; W330-Y334 HydrophobicContact CZ2-CD2 4.08Å; W330-Y334 HydrophobicContact CZ2-CE2 4.21Å; W330-Y334 AromaticContact NE1-CE2 3.65Å; W330-V337 HydrophobicContact CZ3-CG1 4.14Å |
| 331 | L | 77.5 | Confident | 81.6 | Confident | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.037 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.1 | -35.1 | 174.8 | -71 | 172.8 | 0 | 0 | 0 | 112.1 | P276 A279 I327 G328 R333 Y334 V337 | P276-L331 HydrophobicContact CB-CD2 4.46Å; A279-L331 HydrophobicContact CB-CD1 3.94Å; I327-L331 HydrophobicContact CG2-CD1 3.88Å; I327-L331 HydrophobicContact CG2-CG 4.2Å; I327-L331 WeakPolarHBondContact O-CG 3.32Å; I327-L331 PolarHBondContact O-N 3.4Å; G328-L331 PolarHBondContact O-N 2.91Å; L331-R333 PolarHBondContact O-N 3.33Å; L331-Y334 CarbonylContact O-C 3.49Å; L331-Y334 VanDerWaalsContact O-C 3.27Å; L331-Y334 PolarHBondContact O-N 3.45Å; L331-Y334 VanDerWaalsContact O-N 3.09Å; L331-V337 HydrophobicContact CD2-CB 4.16Å; L331-V337 HydrophobicContact CD2-CG1 3.48Å; L331-V337 VanDerWaalsContact CD2-CG1 3.48Å |
| 332 | G | 71.4 | Confident | 80.8 | Confident | 55 Ų | 55 | 61 Ų | 61 | 57% | 0.567 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.2 | -23.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | G328 W330 Y334 | G328-G332 PolarHBondContact O-N 3.23Å; W330-G332 VanDerWaalsContact C-N 3.26Å; W330-G332 PolarHBondContact O-N 2.9Å; G332-Y334 VanDerWaalsContact C-N 3.35Å |
| 333 | R | 79.4 | Confident | 80.5 | Confident | 185 Ų | 185 | 57.5 Ų | 57.5 | 70% | 0.698 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -79.9 | -18 | 174.6 | -65.6 | 175.5 | -179 | 175.1 | -0.7 | 113.2 | W330 L331 | W330-R333 WeakPolarHBondContact O-CB 3.36Å; W330-R333 PolarHBondContact O-N 3.45Å; L331-R333 PolarHBondContact O-N 3.33Å |
| 334 | Y | 82.7 | Confident | 80.2 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 20% | 0.2 | 26% | 0.262 | C | S | . | . | trans | -131.9 | 76.9 | -176.2 | -56.8 | -68 | 0 | 0 | 0 | 110.3 | I183 D186 L187 W330 L331 G332 S336 V337 R338 | I183-Y334 HydrophobicContact CB-CD1 4.34Å; I183-Y334 HydrophobicContact CB-CE1 4.47Å; I183-Y334 HydrophobicContact CG1-CD1 4.09Å; I183-Y334 HydrophobicContact CG1-CD2 4.39Å; I183-Y334 HydrophobicContact CG1-CE1 4.4Å; I183-Y334 HydrophobicContact CG1-CG 4.08Å; I183-Y334 HydrophobicContact CG2-CD1 4.08Å; I183-Y334 HydrophobicContact CG2-CE1 3.73Å; D186-Y334 HydrophobicContact CB-CD1 4.23Å; D186-Y334 WeakPolarHBondContact OD2-CA 3.31Å; D186-Y334 WeakPolarHBondContact OD2-CB 3.37Å; L187-Y334 HydrophobicContact CD2-CE1 4.29Å; L187-Y334 HydrophobicContact CG-CE1 4.37Å; W330-Y334 HydrophobicContact CD2-CD2 4.3Å; W330-Y334 AromaticContact CE2-CD2 3.91Å; W330-Y334 AromaticContact CE2-CE2 3.89Å; W330-Y334 HydrophobicContact CZ2-CD2 4.08Å; W330-Y334 HydrophobicContact CZ2-CE2 4.21Å; W330-Y334 AromaticContact NE1-CE2 3.65Å; L331-Y334 CarbonylContact O-C 3.49Å; L331-Y334 VanDerWaalsContact O-C 3.27Å; L331-Y334 PolarHBondContact O-N 3.45Å; L331-Y334 VanDerWaalsContact O-N 3.09Å; G332-Y334 VanDerWaalsContact C-N 3.35Å; Y334-S336 PolarHBondContact O-N 2.89Å; Y334-S336 VanDerWaalsContact O-N 3.15Å; Y334-V337 WeakPolarHBondContact O-CB 3.24Å; Y334-V337 PolarHBondContact O-N 3.45Å; Y334-R338 PolarHBondContact O-N 3.19Å | ||
| 335 | P | 78.4 | Confident | 79.6 | Confident | 35 Ų | 35 | 56.4 Ų | 56.4 | 23% | 0.227 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.8 | -32.2 | -177.3 | -25 | 34.4 | 0 | 0 | 0 | 114 | D186 V337 R338 N339 | D186-P335 WeakPolarHBondContact OD2-CD 3.18Å; D186-P335 VanDerWaalsContact OD2-N 3.13Å; P335-V337 VanDerWaalsContact C-N 3.28Å; P335-V337 PolarHBondContact O-N 2.99Å; P335-R338 WeakPolarHBondContact O-CB 3.28Å; P335-R338 PolarHBondContact O-N 2.94Å; P335-R338 VanDerWaalsContact O-N 3.16Å; P335-N339 VanDerWaalsContact O-CG 3.25Å; P335-N339 PolarHBondContact O-N 3.23Å; P335-N339 PolarHBondContact O-OD1 3.38Å |
| 336 | S | 85.5 | Confident | 79.7 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.5 | -32.7 | 176.7 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | Q137 H185 D186 Y334 R338 N339 A340 | Q137-S336 PolarHBondContact NE2-O 3.32Å; H185-S336 PolarHBondContact ND1-OG 3.36Å; D186-S336 WeakPolarHBondContact OD1-CB 3.37Å; D186-S336 PolarHBondContact OD1-N 3.4Å; D186-S336 PolarHBondContact OD1-OG 2.92Å; D186-S336 VanDerWaalsContact OD2-CB 3.31Å; D186-S336 WeakPolarHBondContact OD2-CB 3.4Å; D186-S336 PolarHBondContact OD2-N 2.91Å; Y334-S336 PolarHBondContact O-N 2.89Å; Y334-S336 VanDerWaalsContact O-N 3.15Å; S336-R338 VanDerWaalsContact C-N 3.33Å; S336-N339 PolarHBondContact O-N 3.39Å; S336-A340 PolarHBondContact O-N 2.89Å |
| 337 | V | 80.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.8 | -38.9 | 175.2 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | L179 A182 I183 P276 W330 L331 Y334 P335 A340 | L179-V337 HydrophobicContact CD2-CB 4.39Å; L179-V337 HydrophobicContact CD2-CG1 3.45Å; L179-V337 VanDerWaalsContact CD2-CG1 3.45Å; L179-V337 HydrophobicContact CD2-CG2 4.07Å; A182-V337 HydrophobicContact CB-CG2 3.75Å; I183-V337 HydrophobicContact CG1-CG2 4.07Å; P276-V337 HydrophobicContact CB-CG1 4.06Å; P276-V337 HydrophobicContact CG-CG1 4.37Å; W330-V337 HydrophobicContact CZ3-CG1 4.14Å; L331-V337 HydrophobicContact CD2-CB 4.16Å; L331-V337 HydrophobicContact CD2-CG1 3.48Å; L331-V337 VanDerWaalsContact CD2-CG1 3.48Å; Y334-V337 WeakPolarHBondContact O-CB 3.24Å; Y334-V337 PolarHBondContact O-N 3.45Å; P335-V337 VanDerWaalsContact C-N 3.28Å; P335-V337 PolarHBondContact O-N 2.99Å; V337-A340 WeakPolarHBondContact O-CB 3.37Å; V337-A340 PolarHBondContact O-N 3.14Å |
| 338 | R | 73.7 | Confident | 79.6 | Confident | 110 Ų | 110 | 50.4 Ų | 50.4 | 42% | 0.415 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.5 | -48.4 | 174.4 | -170.1 | -176.9 | 64.6 | 162.7 | -4.9 | 111 | T280 Y334 P335 S336 A340 S341 | T280-R338 HydrophobicContact CG2-CG 3.42Å; T280-R338 VanDerWaalsContact CG2-CG 3.42Å; Y334-R338 PolarHBondContact O-N 3.19Å; P335-R338 WeakPolarHBondContact O-CB 3.28Å; P335-R338 PolarHBondContact O-N 2.94Å; P335-R338 VanDerWaalsContact O-N 3.16Å; S336-R338 VanDerWaalsContact C-N 3.33Å; R338-A340 VanDerWaalsContact C-N 3.25Å; R338-A340 PolarHBondContact O-N 2.82Å; R338-S341 VanDerWaalsContact O-CB 3.25Å; R338-S341 WeakPolarHBondContact O-CB 3.42Å; R338-S341 PolarHBondContact O-N 3.28Å; R338-S341 PolarHBondContact O-OG 3.47Å |
| 339 | N | 78 | Confident | 79.7 | Confident | 80 Ų | 80 | 52.5 Ų | 52.5 | 43% | 0.428 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.5 | -25.4 | -178 | -63.9 | -11.6 | 0 | 0 | 0 | 113 | P335 S336 S341 | P335-N339 VanDerWaalsContact O-CG 3.25Å; P335-N339 PolarHBondContact O-N 3.23Å; P335-N339 PolarHBondContact O-OD1 3.38Å; S336-N339 PolarHBondContact O-N 3.39Å; N339-S341 PolarHBondContact O-N 3.31Å |
| 340 | A | 82.1 | Confident | 80 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.3 | -24.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L178 S336 V337 R338 D342 N343 I344 | L178-A340 HydrophobicContact CD2-CB 3.77Å; S336-A340 PolarHBondContact O-N 2.89Å; V337-A340 WeakPolarHBondContact O-CB 3.37Å; V337-A340 PolarHBondContact O-N 3.14Å; R338-A340 VanDerWaalsContact C-N 3.25Å; R338-A340 PolarHBondContact O-N 2.82Å; A340-D342 VanDerWaalsContact C-N 3.35Å; A340-D342 PolarHBondContact O-N 2.91Å; A340-N343 PolarHBondContact O-N 3.25Å; A340-N343 VanDerWaalsContact O-N 3.16Å; A340-I344 HydrophobicContact CB-CD1 4.36Å; A340-I344 VanDerWaalsContact O-CG1 3.27Å; A340-I344 WeakPolarHBondContact O-CG1 3.25Å; A340-I344 PolarHBondContact O-N 3.47Å |
| 341 | S | 74.6 | Confident | 80.3 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.6 | -45.7 | -178 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | L277 T280 R338 N339 I344 R345 | L277-S341 WeakPolarHBondContact CD1-O 3.44Å; T280-S341 PolarHBondContact OG1-OG 3.21Å; R338-S341 VanDerWaalsContact O-CB 3.25Å; R338-S341 WeakPolarHBondContact O-CB 3.42Å; R338-S341 PolarHBondContact O-N 3.28Å; R338-S341 PolarHBondContact O-OG 3.47Å; N339-S341 PolarHBondContact O-N 3.31Å; S341-I344 PolarHBondContact O-N 2.88Å; S341-R345 PolarHBondContact O-N 3.33Å; S341-R345 VanDerWaalsContact O-N 3.15Å |
| 342 | D | 75.2 | Confident | 80.5 | Confident | 83 Ų | 83 | 48.1 Ų | 48.1 | 44% | 0.444 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.1 | -38.7 | 179 | -74.7 | -38.2 | 0 | 0 | 0 | 112.1 | A340 R345 N346 | A340-D342 VanDerWaalsContact C-N 3.35Å; A340-D342 PolarHBondContact O-N 2.91Å; D342-R345 PolarHBondContact O-N 3.1Å; D342-R345 IonicContact OD1-CZ 2.83Å; D342-R345 IonicContact OD1-NH2 3.76Å; D342-R345 PolarHBondContact OD1-NH2 3.01Å; D342-N346 PolarHBondContact O-N 2.92Å; D342-N346 PolarHBondContact O-ND2 2.9Å |
| 343 | N | 85.6 | Confident | 81.1 | Confident | 34 Ų | 34 | 48.3 Ų | 48.3 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.8 | -36.7 | 176.9 | -69.4 | -39.9 | 0 | 0 | 0 | 112.2 | A133 Y136 Q137 A340 N346 A347 | A133-N343 HydrophobicContact CB-CB 4.36Å; Y136-N343 WeakPolarHBondContact CB-OD1 3.46Å; Q137-N343 WeakPolarHBondContact CB-ND2 3.39Å; A340-N343 PolarHBondContact O-N 3.25Å; A340-N343 VanDerWaalsContact O-N 3.16Å; N343-N346 PolarHBondContact O-N 3.42Å; N343-A347 WeakPolarHBondContact O-CB 3.31Å; N343-A347 PolarHBondContact O-N 2.82Å |
| 344 | I | 82.7 | Confident | 81.6 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.2 | -47.4 | 172.7 | -71.8 | 161.6 | 0 | 0 | 0 | 110.2 | F129 A133 M175 L178 L277 A340 S341 N346 A347 M348 | F129-I344 HydrophobicContact CD2-CB 4.49Å; F129-I344 HydrophobicContact CD2-CG1 4.46Å; F129-I344 HydrophobicContact CD2-CG2 3.79Å; F129-I344 HydrophobicContact CE2-CB 4.42Å; F129-I344 HydrophobicContact CE2-CG1 4.2Å; F129-I344 HydrophobicContact CE2-CG2 3.56Å; F129-I344 HydrophobicContact CZ-CG2 4.5Å; A133-I344 HydrophobicContact CB-CG1 3.85Å; M175-I344 HydrophobicContact CE-CD1 3.47Å; M175-I344 VanDerWaalsContact CE-CD1 3.47Å; M175-I344 HydrophobicContact CE-CG1 4.18Å; M175-I344 HydrophobicContact SD-CD1 4.25Å; L178-I344 HydrophobicContact CD1-CD1 4.35Å; L178-I344 HydrophobicContact CD1-CG1 4.17Å; L277-I344 HydrophobicContact CD2-CG2 4.19Å; A340-I344 HydrophobicContact CB-CD1 4.36Å; A340-I344 VanDerWaalsContact O-CG1 3.27Å; A340-I344 WeakPolarHBondContact O-CG1 3.25Å; A340-I344 PolarHBondContact O-N 3.47Å; S341-I344 PolarHBondContact O-N 2.88Å; I344-N346 PolarHBondContact O-N 3.35Å; I344-A347 WeakPolarHBondContact O-CB 3.43Å; I344-A347 PolarHBondContact O-N 2.94Å; I344-M348 HydrophobicContact CG2-SD 3.93Å; I344-M348 VanDerWaalsContact O-CG 3.3Å; I344-M348 WeakPolarHBondContact O-CG 3.4Å; I344-M348 PolarHBondContact O-N 3.5Å |
| 345 | R | 76.3 | Confident | 81.9 | Confident | 67 Ų | 67 | 41.1 Ų | 41.1 | 25% | 0.253 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.7 | -45.1 | 179.2 | 178.7 | 167.5 | 57.3 | -165.9 | 4.2 | 112.2 | D15 S341 D342 M348 N349 | D15-R345 IonicContact OD2-CZ 3.51Å; D15-R345 IonicContact OD2-NH1 2.75Å; D15-R345 PolarHBondContact OD2-NH1 2.96Å; S341-R345 PolarHBondContact O-N 3.33Å; S341-R345 VanDerWaalsContact O-N 3.15Å; D342-R345 PolarHBondContact O-N 3.1Å; D342-R345 IonicContact OD1-CZ 2.83Å; D342-R345 IonicContact OD1-NH2 3.76Å; D342-R345 PolarHBondContact OD1-NH2 3.01Å; R345-M348 PolarHBondContact O-N 3.37Å; R345-N349 PolarHBondContact O-N 3.19Å; R345-N349 VanDerWaalsContact O-N 3.17Å |
| 346 | N | 82.1 | Confident | 82.3 | Confident | 82 Ų | 82 | 39.4 Ų | 39.4 | 44% | 0.439 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.9 | -41.6 | 177.4 | -70.1 | -21 | 0 | 0 | 0 | 111.8 | Y136 D342 N343 I344 N349 M350 | Y136-N346 HydrophobicContact CD2-CB 4.31Å; Y136-N346 HydrophobicContact CE2-CB 3.98Å; D342-N346 PolarHBondContact O-N 2.92Å; D342-N346 PolarHBondContact O-ND2 2.9Å; N343-N346 PolarHBondContact O-N 3.42Å; I344-N346 PolarHBondContact O-N 3.35Å; N346-N349 PolarHBondContact O-N 3.38Å; N346-M350 PolarHBondContact O-N 2.9Å |
| 347 | A | 87.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | F129 V132 A133 Y136 N343 I344 N349 M350 L351 | F129-A347 HydrophobicContact CB-CB 4.2Å; F129-A347 WeakPolarHBondContact O-CB 3.4Å; V132-A347 HydrophobicContact CB-CB 3.68Å; V132-A347 HydrophobicContact CG1-CB 3.69Å; A133-A347 HydrophobicContact CB-CB 4.23Å; Y136-A347 HydrophobicContact CE2-CB 4.48Å; N343-A347 WeakPolarHBondContact O-CB 3.31Å; N343-A347 PolarHBondContact O-N 2.82Å; I344-A347 WeakPolarHBondContact O-CB 3.43Å; I344-A347 PolarHBondContact O-N 2.94Å; A347-N349 PolarHBondContact O-N 3.42Å; A347-M350 PolarHBondContact O-N 3.05Å; A347-L351 WeakPolarHBondContact O-CG 3.43Å; A347-L351 PolarHBondContact O-N 3.32Å |
| 348 | M | 80 | Confident | 83.1 | Confident | 28 Ų | 28 | 44.4 Ų | 44.4 | 14% | 0.138 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 177.2 | -71.5 | 166.8 | 67.9 | 0 | 0 | 111.5 | F126 F129 F274 I344 R345 M350 L351 M352 | F126-M348 HydrophobicContact CE2-CB 4.49Å; F126-M348 HydrophobicContact CE2-CE 3.61Å; F126-M348 HydrophobicContact CE2-CG 4.05Å; F126-M348 HydrophobicContact CZ-CE 3.83Å; F129-M348 HydrophobicContact CB-CG 3.98Å; F129-M348 HydrophobicContact CD1-CG 4.27Å; F129-M348 HydrophobicContact CD2-CG 4.23Å; F129-M348 HydrophobicContact CG-CG 3.89Å; F274-M348 HydrophobicContact CE1-CE 3.66Å; F274-M348 HydrophobicContact CE1-SD 3.5Å; F274-M348 WeakPolarHBondContact CE1-SD 3.34Å; F274-M348 HydrophobicContact CZ-CE 3.65Å; F274-M348 HydrophobicContact CZ-SD 3.69Å; I344-M348 HydrophobicContact CG2-SD 3.93Å; I344-M348 VanDerWaalsContact O-CG 3.3Å; I344-M348 WeakPolarHBondContact O-CG 3.4Å; I344-M348 PolarHBondContact O-N 3.5Å; R345-M348 PolarHBondContact O-N 3.37Å; M348-M350 PolarHBondContact O-N 3.01Å; M348-L351 PolarHBondContact O-N 3.29Å; M348-M352 VanDerWaalsContact O-CB 3.32Å; M348-M352 WeakPolarHBondContact O-CB 3.12Å; M348-M352 WeakPolarHBondContact O-CG 3.39Å; M348-M352 PolarHBondContact O-N 2.9Å |
| 349 | N | 78.6 | Confident | 83.8 | Confident | 59 Ų | 59 | 39.2 Ų | 39.2 | 32% | 0.316 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.7 | -45.6 | 179.2 | -72.5 | -18.3 | 0 | 0 | 0 | 111.7 | R345 N346 A347 L351 M352 E353 | R345-N349 PolarHBondContact O-N 3.19Å; R345-N349 VanDerWaalsContact O-N 3.17Å; N346-N349 PolarHBondContact O-N 3.38Å; A347-N349 PolarHBondContact O-N 3.42Å; N349-L351 PolarHBondContact O-N 2.87Å; N349-M352 PolarHBondContact O-N 2.87Å; N349-E353 WeakPolarHBondContact O-CG 3.43Å; N349-E353 PolarHBondContact O-N 3.36Å |
| 350 | M | 86 | Confident | 84.4 | Confident | 96 Ų | 96 | 35.6 Ų | 35.6 | 47% | 0.473 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.5 | -47.1 | 179.3 | -177.9 | -177.2 | -178.3 | 0 | 0 | 112.2 | V132 Y136 N346 A347 M348 M352 E353 V354 | V132-M350 HydrophobicContact CG1-SD 4.36Å; Y136-M350 PolarHBondContact OH-SD 3.46Å; N346-M350 PolarHBondContact O-N 2.9Å; A347-M350 PolarHBondContact O-N 3.05Å; M348-M350 PolarHBondContact O-N 3.01Å; M350-M352 VanDerWaalsContact C-N 3.34Å; M350-E353 PolarHBondContact O-N 2.97Å; M350-V354 PolarHBondContact O-N 2.94Å |
| 351 | L | 88.1 | Confident | 84.9 | Confident | 25 Ų | 25 | 37.9 Ų | 37.9 | 13% | 0.131 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.9 | -39.1 | -179.4 | -72.2 | 163.7 | 0 | 0 | 0 | 111.6 | A125 L128 F129 V132 A347 M348 N349 V354 A355 | A125-L351 WeakPolarHBondContact O-CD1 3.47Å; L128-L351 HydrophobicContact CB-CD1 4.33Å; L128-L351 HydrophobicContact CB-CD2 4.45Å; F129-L351 HydrophobicContact CB-CD1 3.63Å; V132-L351 HydrophobicContact CG2-CD1 4.05Å; V132-L351 HydrophobicContact CG2-CD2 4.28Å; V132-L351 HydrophobicContact CG2-CG 4.27Å; A347-L351 WeakPolarHBondContact O-CG 3.43Å; A347-L351 PolarHBondContact O-N 3.32Å; M348-L351 PolarHBondContact O-N 3.29Å; N349-L351 PolarHBondContact O-N 2.87Å; L351-V354 PolarHBondContact O-N 3.39Å; L351-A355 VanDerWaalsContact O-CB 3.26Å; L351-A355 WeakPolarHBondContact O-CB 3.42Å; L351-A355 PolarHBondContact O-N 2.76Å |
| 352 | M | 81.6 | Confident | 85.7 | Confident | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.039 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.1 | -40.6 | 175.8 | -74 | -60.3 | -60.1 | 0 | 0 | 112.6 | V49 V122 F126 M348 N349 M350 V354 A355 L356 M393 | V49-M352 HydrophobicContact CG2-CE 3.67Å; V122-M352 HydrophobicContact CG1-CE 3.76Å; V122-M352 HydrophobicContact CG1-SD 3.79Å; V122-M352 HydrophobicContact CG2-CE 4.26Å; F126-M352 HydrophobicContact CD2-CG 4.41Å; F126-M352 HydrophobicContact CD2-SD 4.02Å; M348-M352 VanDerWaalsContact O-CB 3.32Å; M348-M352 WeakPolarHBondContact O-CB 3.12Å; M348-M352 WeakPolarHBondContact O-CG 3.39Å; M348-M352 PolarHBondContact O-N 2.9Å; N349-M352 PolarHBondContact O-N 2.87Å; M350-M352 VanDerWaalsContact C-N 3.34Å; M352-V354 VanDerWaalsContact C-N 3.35Å; M352-V354 PolarHBondContact O-N 2.72Å; M352-A355 PolarHBondContact O-N 3.5Å; M352-L356 HydrophobicContact CE-CD1 3.99Å; M352-L356 HydrophobicContact CE-CD2 4.35Å; M352-L356 HydrophobicContact CE-CG 4.09Å; M352-L356 WeakPolarHBondContact O-CB 3.49Å; M352-L356 VanDerWaalsContact O-CG 3.29Å; M352-L356 WeakPolarHBondContact O-CG 3.39Å; M352-L356 PolarHBondContact O-N 3.29Å; M352-M393 HydrophobicContact CB-CE 3.5Å; M352-M393 VanDerWaalsContact CB-CE 3.5Å; M352-M393 HydrophobicContact CB-SD 4.1Å; M352-M393 HydrophobicContact CE-CE 3.64Å; M352-M393 HydrophobicContact CG-CE 3.88Å |
| 353 | E | 85.3 | Confident | 86.3 | Confident | 58 Ų | 58 | 38.7 Ų | 38.7 | 27% | 0.271 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.7 | -46.9 | 175.8 | -78.5 | -173.9 | -174 | 0 | 0 | 111.8 | N349 M350 L357 K392 M393 | N349-E353 WeakPolarHBondContact O-CG 3.43Å; N349-E353 PolarHBondContact O-N 3.36Å; M350-E353 PolarHBondContact O-N 2.97Å; E353-L357 WeakPolarHBondContact O-CB 3.37Å; E353-L357 PolarHBondContact O-N 2.86Å; E353-K392 WeakPolarHBondContact OE2-CD 3.35Å; E353-K392 WeakPolarHBondContact OE2-CE 3.46Å; E353-K392 IonicContact OE2-NZ 2.74Å; E353-K392 PolarHBondContact OE2-NZ 3.48Å; E353-M393 HydrophobicContact CG-CB 4.09Å |
| 354 | V | 89.6 | Confident | 86.6 | Confident | 83 Ų | 83 | 37 Ų | 37 | 50% | 0.503 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.1 | -47.2 | 178.9 | 175 | 0 | 0 | 0 | 0 | 110.8 | M350 L351 M352 L357 V358 | M350-V354 PolarHBondContact O-N 2.94Å; L351-V354 PolarHBondContact O-N 3.39Å; M352-V354 VanDerWaalsContact C-N 3.35Å; M352-V354 PolarHBondContact O-N 2.72Å; V354-L357 PolarHBondContact O-N 3.4Å; V354-V358 HydrophobicContact CG1-CG2 4.46Å; V354-V358 WeakPolarHBondContact O-CG2 3.2Å; V354-V358 PolarHBondContact O-N 3.48Å |
| 355 | A | 87.5 | Confident | 86.9 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 2% | 0.017 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65 | -43.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P121 V122 A125 L351 M352 L357 V358 G359 | P121-A355 HydrophobicContact CB-CB 4.38Å; V122-A355 HydrophobicContact CB-CB 4.42Å; V122-A355 HydrophobicContact CG2-CB 3.94Å; A125-A355 HydrophobicContact CB-CB 3.72Å; L351-A355 VanDerWaalsContact O-CB 3.26Å; L351-A355 WeakPolarHBondContact O-CB 3.42Å; L351-A355 PolarHBondContact O-N 2.76Å; M352-A355 PolarHBondContact O-N 3.5Å; A355-L357 VanDerWaalsContact C-N 3.33Å; A355-L357 PolarHBondContact O-N 3.04Å; A355-V358 PolarHBondContact O-N 3.2Å; A355-G359 PolarHBondContact O-N 2.87Å |
| 356 | L | 86.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.5 | -35.7 | 177.4 | -69.9 | 173.9 | 0 | 0 | 0 | 111.6 | L118 V122 M352 S360 M393 V397 | L118-L356 HydrophobicContact CD2-CD2 4.41Å; V122-L356 HydrophobicContact CG2-CD2 3.54Å; V122-L356 HydrophobicContact CG2-CG 4.07Å; M352-L356 HydrophobicContact CE-CD1 3.99Å; M352-L356 HydrophobicContact CE-CD2 4.35Å; M352-L356 HydrophobicContact CE-CG 4.09Å; M352-L356 WeakPolarHBondContact O-CB 3.49Å; M352-L356 VanDerWaalsContact O-CG 3.29Å; M352-L356 WeakPolarHBondContact O-CG 3.39Å; M352-L356 PolarHBondContact O-N 3.29Å; L356-S360 WeakPolarHBondContact O-CB 3.46Å; L356-S360 PolarHBondContact O-N 3.28Å; L356-S360 PolarHBondContact O-OG 3.46Å; L356-M393 HydrophobicContact CD1-CE 3.86Å; L356-M393 HydrophobicContact CD1-CG 3.76Å; L356-M393 VanDerWaalsContact CD1-O 3.28Å; L356-M393 WeakPolarHBondContact CD1-O 3.42Å; L356-V397 HydrophobicContact CB-CG2 4.12Å; L356-V397 HydrophobicContact CD1-CG2 4.35Å; L356-V397 HydrophobicContact CD2-CG2 3.81Å; L356-V397 HydrophobicContact CG-CG2 4.32Å |
| 357 | L | 90.8 | Very high | 87.3 | Confident | 57 Ų | 57 | 39.1 Ų | 39.1 | 30% | 0.298 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.1 | -51.3 | 174.2 | -179.2 | 64.2 | 0 | 0 | 0 | 111.6 | E353 V354 A355 S360 I361 Y380 P396 | E353-L357 WeakPolarHBondContact O-CB 3.37Å; E353-L357 PolarHBondContact O-N 2.86Å; V354-L357 PolarHBondContact O-N 3.4Å; A355-L357 VanDerWaalsContact C-N 3.33Å; A355-L357 PolarHBondContact O-N 3.04Å; L357-S360 PolarHBondContact O-N 3.01Å; L357-I361 HydrophobicContact CD1-CD1 4.27Å; L357-I361 HydrophobicContact CG-CD1 4.31Å; L357-I361 WeakPolarHBondContact O-CG1 3.43Å; L357-I361 PolarHBondContact O-N 2.94Å; L357-Y380 HydrophobicContact CD1-CE2 4.4Å; L357-P396 HydrophobicContact CB-CB 4.34Å; L357-P396 HydrophobicContact CB-CG 4.02Å; L357-P396 HydrophobicContact CD1-CB 4.03Å; L357-P396 HydrophobicContact CD1-CG 3.93Å |
| 358 | V | 92.7 | Very high | 86.9 | Confident | 57 Ų | 57 | 40 Ų | 40 | 35% | 0.345 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.4 | -47.8 | 179.7 | 173.3 | 0 | 0 | 0 | 0 | 111 | P121 V354 A355 S360 I361 F362 | P121-V358 HydrophobicContact CB-CG1 4.39Å; P121-V358 HydrophobicContact CG-CG1 4.26Å; V354-V358 HydrophobicContact CG1-CG2 4.46Å; V354-V358 WeakPolarHBondContact O-CG2 3.2Å; V354-V358 PolarHBondContact O-N 3.48Å; A355-V358 PolarHBondContact O-N 3.2Å; V358-S360 VanDerWaalsContact C-N 3.34Å; V358-S360 PolarHBondContact O-N 3.49Å; V358-I361 PolarHBondContact O-N 3.35Å; V358-F362 HydrophobicContact CG1-CD2 4.22Å; V358-F362 HydrophobicContact CG1-CE1 4.45Å; V358-F362 HydrophobicContact CG1-CE2 3.73Å; V358-F362 HydrophobicContact CG1-CZ 3.86Å; V358-F362 PolarHBondContact O-N 2.95Å |
| 359 | G | 89 | Confident | 86.9 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -38.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E117 A355 I361 F362 A363 | E117-G359 WeakPolarHBondContact O-CA 3.46Å; A355-G359 PolarHBondContact O-N 2.87Å; G359-I361 VanDerWaalsContact C-N 3.32Å; G359-I361 PolarHBondContact O-N 3.18Å; G359-F362 PolarHBondContact O-N 3.46Å; G359-A363 WeakPolarHBondContact O-CB 3.38Å; G359-A363 PolarHBondContact O-N 3.43Å |
| 360 | S | 89.9 | Confident | 87.2 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.028 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.2 | -36.3 | 176.8 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | L118 L356 L357 V358 A363 A364 P396 V397 V400 | L118-S360 WeakPolarHBondContact CD2-OG 3.48Å; L356-S360 WeakPolarHBondContact O-CB 3.46Å; L356-S360 PolarHBondContact O-N 3.28Å; L356-S360 PolarHBondContact O-OG 3.46Å; L357-S360 PolarHBondContact O-N 3.01Å; V358-S360 VanDerWaalsContact C-N 3.34Å; V358-S360 PolarHBondContact O-N 3.49Å; S360-A363 PolarHBondContact O-N 2.93Å; S360-A364 WeakPolarHBondContact O-CB 3.32Å; S360-A364 PolarHBondContact O-N 3.16Å; S360-P396 WeakPolarHBondContact CB-O 3.49Å; S360-P396 WeakPolarHBondContact OG-CB 3.28Å; S360-P396 PolarHBondContact OG-O 3.45Å; S360-V397 PolarHBondContact OG-N 3.49Å; S360-V400 WeakPolarHBondContact O-CG2 3.3Å |
| 361 | I | 93.6 | Very high | 87 | Confident | 49 Ų | 49 | 44.2 Ų | 44.2 | 25% | 0.251 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.4 | -45.4 | 175.3 | -74.2 | 173.5 | 0 | 0 | 0 | 111 | L357 V358 G359 A363 A364 I365 F373 | L357-I361 HydrophobicContact CD1-CD1 4.27Å; L357-I361 HydrophobicContact CG-CD1 4.31Å; L357-I361 WeakPolarHBondContact O-CG1 3.43Å; L357-I361 PolarHBondContact O-N 2.94Å; V358-I361 PolarHBondContact O-N 3.35Å; G359-I361 VanDerWaalsContact C-N 3.32Å; G359-I361 PolarHBondContact O-N 3.18Å; I361-A363 VanDerWaalsContact C-N 3.33Å; I361-A363 PolarHBondContact O-N 3.4Å; I361-A364 PolarHBondContact O-N 2.82Å; I361-I365 HydrophobicContact CG2-CD1 3.87Å; I361-I365 WeakPolarHBondContact O-CG1 3.48Å; I361-I365 PolarHBondContact O-N 3.21Å; I361-F373 HydrophobicContact CD1-CE2 4.38Å; I361-F373 HydrophobicContact CG1-CE2 4.43Å; I361-F373 HydrophobicContact CG2-CD2 3.92Å; I361-F373 HydrophobicContact CG2-CE2 4.03Å |
| 362 | F | 90.7 | Very high | 86.9 | Confident | 102 Ų | 102 | 43 Ų | 43 | 45% | 0.447 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 175.3 | -69.3 | -16.9 | 0 | 0 | 0 | 112 | E117 P121 V358 G359 A364 I365 K366 | E117-F362 HydrophobicContact CB-CB 3.79Å; E117-F362 HydrophobicContact CG-CB 4.26Å; P121-F362 HydrophobicContact CG-CD2 4.36Å; P121-F362 HydrophobicContact CG-CE2 4.46Å; V358-F362 HydrophobicContact CG1-CD2 4.22Å; V358-F362 HydrophobicContact CG1-CE1 4.45Å; V358-F362 HydrophobicContact CG1-CE2 3.73Å; V358-F362 HydrophobicContact CG1-CZ 3.86Å; V358-F362 PolarHBondContact O-N 2.95Å; G359-F362 PolarHBondContact O-N 3.46Å; F362-A364 PolarHBondContact O-N 2.9Å; F362-I365 PolarHBondContact O-N 2.68Å; F362-K366 WeakPolarHBondContact O-CB 3.38Å; F362-K366 PolarHBondContact O-N 3.39Å |
| 363 | A | 89 | Confident | 87.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.4 | -45 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S114 E117 G359 S360 I361 I365 K366 M367 V400 | S114-A363 WeakPolarHBondContact O-CB 3.32Å; E117-A363 HydrophobicContact CB-CB 4.23Å; G359-A363 WeakPolarHBondContact O-CB 3.38Å; G359-A363 PolarHBondContact O-N 3.43Å; S360-A363 PolarHBondContact O-N 2.93Å; I361-A363 VanDerWaalsContact C-N 3.33Å; I361-A363 PolarHBondContact O-N 3.4Å; A363-I365 PolarHBondContact O-N 3.43Å; A363-K366 PolarHBondContact O-N 3.11Å; A363-M367 HydrophobicContact CB-CE 4.45Å; A363-M367 WeakPolarHBondContact O-CG 3.35Å; A363-M367 PolarHBondContact O-N 3.46Å; A363-V400 HydrophobicContact CB-CG2 3.88Å |
| 364 | A | 91.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64 | -41.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S360 I361 F362 K366 M367 A368 G372 A376 V400 | S360-A364 WeakPolarHBondContact O-CB 3.32Å; S360-A364 PolarHBondContact O-N 3.16Å; I361-A364 PolarHBondContact O-N 2.82Å; F362-A364 PolarHBondContact O-N 2.9Å; A364-K366 VanDerWaalsContact C-N 3.32Å; A364-M367 PolarHBondContact O-N 3.27Å; A364-A368 PolarHBondContact O-N 3.09Å; A364-G372 WeakPolarHBondContact O-CA 3.33Å; A364-A376 HydrophobicContact CB-CB 3.65Å; A364-V400 HydrophobicContact CB-CG2 3.98Å |
| 365 | I | 88.2 | Confident | 87.8 | Confident | 59 Ų | 59 | 44.1 Ų | 44.1 | 30% | 0.303 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.7 | -39.9 | 175.6 | -67.7 | 168.4 | 0 | 0 | 0 | 110.5 | I361 F362 A363 M367 G369 F373 | I361-I365 HydrophobicContact CG2-CD1 3.87Å; I361-I365 WeakPolarHBondContact O-CG1 3.48Å; I361-I365 PolarHBondContact O-N 3.21Å; F362-I365 PolarHBondContact O-N 2.68Å; A363-I365 PolarHBondContact O-N 3.43Å; I365-M367 VanDerWaalsContact C-N 3.32Å; I365-M367 PolarHBondContact O-N 3.32Å; I365-G369 WeakPolarHBondContact CA-O 3.45Å; I365-G369 WeakPolarHBondContact O-CA 3.5Å; I365-G369 PolarHBondContact O-N 2.92Å; I365-F373 HydrophobicContact CD1-CD2 4.44Å; I365-F373 HydrophobicContact CG1-CB 3.9Å; I365-F373 HydrophobicContact CG1-CD2 4.44Å |
| 366 | K | 83.5 | Confident | 88.2 | Confident | 115 Ų | 115 | 44.4 Ų | 44.4 | 50% | 0.5 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.5 | -34.4 | 177.9 | -169.1 | 168.9 | -179.4 | -179.3 | 0 | 112.7 | E117 F362 A363 A364 | E117-K366 HydrophobicContact CG-CD 3.7Å; E117-K366 WeakPolarHBondContact OE1-CD 3.45Å; E117-K366 IonicContact OE1-NZ 3.89Å; E117-K366 PolarHBondContact OE1-NZ 3.43Å; F362-K366 WeakPolarHBondContact O-CB 3.38Å; F362-K366 PolarHBondContact O-N 3.39Å; A363-K366 PolarHBondContact O-N 3.11Å; A364-K366 VanDerWaalsContact C-N 3.32Å |
| 367 | M | 83 | Confident | 88.6 | Confident | 20 Ų | 20 | 47.1 Ų | 47.1 | 10% | 0.099 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.2 | -43.6 | 179.2 | -70 | 178.4 | -159 | 0 | 0 | 113.7 | V109 V111 S114 A363 A364 I365 V400 L407 | V109-M367 HydrophobicContact CG1-CB 3.97Å; V109-M367 HydrophobicContact CG1-CG 4.38Å; V111-M367 HydrophobicContact CB-CE 4.31Å; V111-M367 HydrophobicContact CG1-CE 3.8Å; V111-M367 HydrophobicContact CG1-SD 4.5Å; V111-M367 HydrophobicContact CG2-SD 4.49Å; S114-M367 VanDerWaalsContact CB-CG 3.44Å; S114-M367 WeakPolarHBondContact OG-CG 3.39Å; A363-M367 HydrophobicContact CB-CE 4.45Å; A363-M367 WeakPolarHBondContact O-CG 3.35Å; A363-M367 PolarHBondContact O-N 3.46Å; A364-M367 PolarHBondContact O-N 3.27Å; I365-M367 VanDerWaalsContact C-N 3.32Å; I365-M367 PolarHBondContact O-N 3.32Å; M367-V400 HydrophobicContact CE-CG2 3.8Å; M367-V400 HydrophobicContact SD-CG2 4.41Å; M367-L407 HydrophobicContact CB-CD1 3.62Å; M367-L407 HydrophobicContact SD-CD1 4.37Å |
| 368 | A | 79.6 | Confident | 88.8 | Confident | 19 Ų | 19 | 47.2 Ų | 47.2 | 16% | 0.157 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -156.9 | 36.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A364 T371 G372 L407 L416 | A364-A368 PolarHBondContact O-N 3.09Å; A368-T371 WeakPolarHBondContact O-CB 3.44Å; A368-T371 PolarHBondContact O-N 3.44Å; A368-G372 PolarHBondContact O-N 3.44Å; A368-G372 VanDerWaalsContact O-N 3.13Å; A368-L407 HydrophobicContact CB-CD1 3.57Å; A368-L407 HydrophobicContact CB-CD2 3.51Å; A368-L407 HydrophobicContact CB-CG 4.17Å; A368-L416 HydrophobicContact CB-CD2 4.34Å |
| 369 | G | 79.4 | Confident | 88.9 | Confident | 31 Ų | 31 | 46 Ų | 46 | 32% | 0.32 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | 56.3 | -142.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I365 T371 G372 F373 | I365-G369 WeakPolarHBondContact CA-O 3.45Å; I365-G369 WeakPolarHBondContact O-CA 3.5Å; I365-G369 PolarHBondContact O-N 2.92Å; G369-T371 PolarHBondContact O-N 3.46Å; G369-G372 PolarHBondContact O-N 3.21Å; G369-F373 PolarHBondContact O-N 3.5Å; G369-F373 VanDerWaalsContact O-N 3.08Å |
| 370 | Y | 85.5 | Confident | 89.1 | Confident | 176 Ų | 176 | 48.5 Ų | 48.5 | 69% | 0.69 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -69.3 | -16.2 | 179.8 | -76.1 | -81.1 | 0 | 0 | 0 | 114.1 | F373 S374 | Y370-F373 HydrophobicContact CD1-CB 4.46Å; Y370-F373 HydrophobicContact CD1-CD1 4.09Å; Y370-F373 HydrophobicContact CD1-CG 4.42Å; Y370-S374 WeakPolarHBondContact O-CB 3.3Å; Y370-S374 PolarHBondContact O-N 3.08Å; Y370-S374 PolarHBondContact O-OG 3.21Å |
| 371 | T | 80.9 | Confident | 89.3 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.6 | -48.3 | 170 | -59.9 | 0 | 0 | 0 | 0 | 110.2 | A368 G369 F373 S374 I375 | A368-T371 WeakPolarHBondContact O-CB 3.44Å; A368-T371 PolarHBondContact O-N 3.44Å; G369-T371 PolarHBondContact O-N 3.46Å; T371-F373 VanDerWaalsContact C-N 3.32Å; T371-F373 PolarHBondContact O-N 3.32Å; T371-S374 PolarHBondContact O-N 3.02Å; T371-I375 HydrophobicContact CG2-CD1 4.09Å; T371-I375 WeakPolarHBondContact O-CG1 3.43Å; T371-I375 PolarHBondContact O-N 3.02Å |
| 372 | G | 86.8 | Confident | 89.3 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.8 | -45.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | A364 A368 G369 S374 I375 A376 | A364-G372 WeakPolarHBondContact O-CA 3.33Å; A368-G372 PolarHBondContact O-N 3.44Å; A368-G372 VanDerWaalsContact O-N 3.13Å; G369-G372 PolarHBondContact O-N 3.21Å; G372-S374 PolarHBondContact O-N 3.28Å; G372-I375 PolarHBondContact O-N 3.29Å; G372-A376 WeakPolarHBondContact O-CB 3.47Å; G372-A376 PolarHBondContact O-N 2.93Å |
| 373 | F | 91.1 | Very high | 89.4 | Confident | 64 Ų | 64 | 53.1 Ų | 53.1 | 28% | 0.281 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -54.5 | -51.3 | 172.8 | 171.5 | -102.9 | 0 | 0 | 0 | 112.6 | I361 I365 G369 Y370 T371 I375 A376 V377 | I361-F373 HydrophobicContact CD1-CE2 4.38Å; I361-F373 HydrophobicContact CG1-CE2 4.43Å; I361-F373 HydrophobicContact CG2-CD2 3.92Å; I361-F373 HydrophobicContact CG2-CE2 4.03Å; I365-F373 HydrophobicContact CD1-CD2 4.44Å; I365-F373 HydrophobicContact CG1-CB 3.9Å; I365-F373 HydrophobicContact CG1-CD2 4.44Å; G369-F373 PolarHBondContact O-N 3.5Å; G369-F373 VanDerWaalsContact O-N 3.08Å; Y370-F373 HydrophobicContact CD1-CB 4.46Å; Y370-F373 HydrophobicContact CD1-CD1 4.09Å; Y370-F373 HydrophobicContact CD1-CG 4.42Å; T371-F373 VanDerWaalsContact C-N 3.32Å; T371-F373 PolarHBondContact O-N 3.32Å; F373-I375 VanDerWaalsContact C-N 3.33Å; F373-I375 PolarHBondContact O-N 3.45Å; F373-A376 PolarHBondContact O-N 3.49Å; F373-V377 HydrophobicContact CD1-CG2 4.47Å; F373-V377 HydrophobicContact CD2-CG2 3.92Å; F373-V377 HydrophobicContact CE1-CG2 4.12Å; F373-V377 HydrophobicContact CE2-CG2 3.53Å; F373-V377 HydrophobicContact CG-CG2 4.39Å; F373-V377 HydrophobicContact CZ-CG2 3.65Å; F373-V377 WeakPolarHBondContact O-CG2 3.26Å; F373-V377 PolarHBondContact O-N 3Å |
| 374 | S | 91.3 | Very high | 89.5 | Confident | 70 Ų | 70 | 55.6 Ų | 55.6 | 49% | 0.49 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | -175.9 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | Y370 T371 G372 A378 | Y370-S374 WeakPolarHBondContact O-CB 3.3Å; Y370-S374 PolarHBondContact O-N 3.08Å; Y370-S374 PolarHBondContact O-OG 3.21Å; T371-S374 PolarHBondContact O-N 3.02Å; G372-S374 PolarHBondContact O-N 3.28Å; S374-A378 VanDerWaalsContact O-CB 3.3Å; S374-A378 WeakPolarHBondContact O-CB 3.46Å; S374-A378 PolarHBondContact O-N 3.37Å |
| 375 | I | 93.7 | Very high | 89.5 | Confident | 37 Ų | 37 | 59 Ų | 59 | 19% | 0.19 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.4 | -47.7 | 175.8 | -64.4 | 168.1 | 0 | 0 | 0 | 110.4 | T371 G372 F373 V377 A378 I379 T403 L406 L407 L410 | T371-I375 HydrophobicContact CG2-CD1 4.09Å; T371-I375 WeakPolarHBondContact O-CG1 3.43Å; T371-I375 PolarHBondContact O-N 3.02Å; G372-I375 PolarHBondContact O-N 3.29Å; F373-I375 VanDerWaalsContact C-N 3.33Å; F373-I375 PolarHBondContact O-N 3.45Å; I375-V377 PolarHBondContact O-N 3.43Å; I375-A378 PolarHBondContact O-N 2.79Å; I375-I379 HydrophobicContact CG2-CD1 3.71Å; I375-I379 WeakPolarHBondContact O-CD1 3.29Å; I375-I379 WeakPolarHBondContact O-CG1 3.31Å; I375-I379 PolarHBondContact O-N 3.03Å; I375-T403 HydrophobicContact CB-CG2 4.05Å; I375-T403 HydrophobicContact CG2-CG2 3.93Å; I375-L406 HydrophobicContact CG2-CD1 3.97Å; I375-L407 HydrophobicContact CD1-CD2 3.88Å; I375-L410 HydrophobicContact CD1-CD1 4.14Å |
| 376 | A | 94.5 | Very high | 89.6 | Confident | 9 Ų | 9 | 61.8 Ų | 61.8 | 7% | 0.074 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.5 | -44 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A364 G372 F373 I379 Y380 T403 | A364-A376 HydrophobicContact CB-CB 3.65Å; G372-A376 WeakPolarHBondContact O-CB 3.47Å; G372-A376 PolarHBondContact O-N 2.93Å; F373-A376 PolarHBondContact O-N 3.49Å; A376-I379 PolarHBondContact O-N 2.9Å; A376-Y380 WeakPolarHBondContact O-CB 3.4Å; A376-Y380 PolarHBondContact O-N 3.25Å; A376-T403 WeakPolarHBondContact CA-OG1 3.43Å; A376-T403 HydrophobicContact CB-CG2 4.47Å; A376-T403 WeakPolarHBondContact CB-OG1 3.34Å; A376-T403 PolarHBondContact N-OG1 3.26Å |
| 377 | V | 95.6 | Very high | 89.7 | Confident | 57 Ų | 57 | 59.4 Ų | 59.4 | 35% | 0.345 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 176.6 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | F373 I375 I379 Y380 F381 | F373-V377 HydrophobicContact CD1-CG2 4.47Å; F373-V377 HydrophobicContact CD2-CG2 3.92Å; F373-V377 HydrophobicContact CE1-CG2 4.12Å; F373-V377 HydrophobicContact CE2-CG2 3.53Å; F373-V377 HydrophobicContact CG-CG2 4.39Å; F373-V377 HydrophobicContact CZ-CG2 3.65Å; F373-V377 WeakPolarHBondContact O-CG2 3.26Å; F373-V377 PolarHBondContact O-N 3Å; I375-V377 PolarHBondContact O-N 3.43Å; V377-I379 PolarHBondContact O-N 3.46Å; V377-Y380 PolarHBondContact O-N 2.7Å; V377-F381 VanDerWaalsContact O-CB 3.25Å; V377-F381 WeakPolarHBondContact O-CB 3.32Å; V377-F381 PolarHBondContact O-N 2.59Å |
| 378 | A | 95.6 | Very high | 89.8 | Confident | 58 Ų | 58 | 64.2 Ų | 64.2 | 48% | 0.479 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | S374 I375 F381 L382 | S374-A378 VanDerWaalsContact O-CB 3.3Å; S374-A378 WeakPolarHBondContact O-CB 3.46Å; S374-A378 PolarHBondContact O-N 3.37Å; I375-A378 PolarHBondContact O-N 2.79Å; A378-F381 PolarHBondContact O-N 2.72Å; A378-L382 WeakPolarHBondContact O-CB 3.5Å; A378-L382 PolarHBondContact O-N 2.71Å |
| 379 | I | 94.6 | Very high | 89.9 | Confident | 32 Ų | 32 | 68 Ų | 68 | 16% | 0.164 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.2 | -42.8 | 177.5 | -63.7 | 158.8 | 0 | 0 | 0 | 111 | I375 A376 V377 L382 N383 A399 I402 L406 | I375-I379 HydrophobicContact CG2-CD1 3.71Å; I375-I379 WeakPolarHBondContact O-CD1 3.29Å; I375-I379 WeakPolarHBondContact O-CG1 3.31Å; I375-I379 PolarHBondContact O-N 3.03Å; A376-I379 PolarHBondContact O-N 2.9Å; V377-I379 PolarHBondContact O-N 3.46Å; I379-L382 WeakPolarHBondContact O-CB 3.23Å; I379-L382 PolarHBondContact O-N 3.4Å; I379-N383 PolarHBondContact O-N 3.32Å; I379-A399 HydrophobicContact CB-CB 4.02Å; I379-A399 HydrophobicContact CG2-CB 3.79Å; I379-I402 HydrophobicContact CD1-CB 3.98Å; I379-I402 HydrophobicContact CD1-CG2 3.62Å; I379-I402 HydrophobicContact CG1-CG2 4.43Å; I379-I402 HydrophobicContact CG2-CD1 4.14Å; I379-L406 HydrophobicContact CD1-CD1 4.02Å |
| 380 | Y | 93.6 | Very high | 89.8 | Confident | 52 Ų | 52 | 68.7 Ų | 68.7 | 20% | 0.204 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 175.8 | 178.1 | -97 | 0 | 0 | 0 | 111.6 | L357 A376 V377 L382 N383 E384 A395 P396 | L357-Y380 HydrophobicContact CD1-CE2 4.4Å; A376-Y380 WeakPolarHBondContact O-CB 3.4Å; A376-Y380 PolarHBondContact O-N 3.25Å; V377-Y380 PolarHBondContact O-N 2.7Å; Y380-L382 VanDerWaalsContact C-N 3.32Å; Y380-L382 PolarHBondContact O-N 2.86Å; Y380-N383 WeakPolarHBondContact O-CB 3.38Å; Y380-N383 PolarHBondContact O-N 3.16Å; Y380-E384 HydrophobicContact CE1-CG 4.03Å; Y380-E384 PolarHBondContact O-N 3.19Å; Y380-E384 VanDerWaalsContact O-N 3.1Å; Y380-A395 HydrophobicContact CD2-CB 3.94Å; Y380-A395 HydrophobicContact CE2-CB 3.87Å; Y380-P396 HydrophobicContact CD2-CB 4.5Å; Y380-P396 HydrophobicContact CD2-CG 4.08Å; Y380-P396 HydrophobicContact CE2-CG 3.77Å |
| 381 | F | 94.1 | Very high | 89.5 | Confident | 139 Ų | 139 | 63.2 Ų | 63.2 | 61% | 0.61 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.8 | -38.1 | 176 | 178.4 | -100.4 | 0 | 0 | 0 | 112.2 | V377 A378 N383 E384 S385 | V377-F381 VanDerWaalsContact O-CB 3.25Å; V377-F381 WeakPolarHBondContact O-CB 3.32Å; V377-F381 PolarHBondContact O-N 2.59Å; A378-F381 PolarHBondContact O-N 2.72Å; F381-N383 VanDerWaalsContact C-N 3.33Å; F381-N383 PolarHBondContact O-N 2.87Å; F381-E384 PolarHBondContact O-N 2.64Å; F381-S385 VanDerWaalsContact CE1-OG 3.32Å; F381-S385 WeakPolarHBondContact CE1-OG 3.25Å; F381-S385 WeakPolarHBondContact CZ-OG 3.33Å; F381-S385 WeakPolarHBondContact O-CB 3.44Å; F381-S385 PolarHBondContact O-N 3.1Å; F381-S385 PolarHBondContact O-OG 3.08Å |
| 382 | L | 93.7 | Very high | 89.6 | Confident | 100 Ų | 100 | 63.8 Ų | 63.8 | 52% | 0.524 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 174.3 | -174.1 | 67.1 | 0 | 0 | 0 | 111.1 | A378 I379 Y380 S385 L386 | A378-L382 WeakPolarHBondContact O-CB 3.5Å; A378-L382 PolarHBondContact O-N 2.71Å; I379-L382 WeakPolarHBondContact O-CB 3.23Å; I379-L382 PolarHBondContact O-N 3.4Å; Y380-L382 VanDerWaalsContact C-N 3.32Å; Y380-L382 PolarHBondContact O-N 2.86Å; L382-S385 PolarHBondContact O-N 3.49Å; L382-L386 HydrophobicContact CD1-CD1 4.01Å; L382-L386 HydrophobicContact CD1-CG 4.24Å; L382-L386 HydrophobicContact CD2-CD1 4.49Å; L382-L386 HydrophobicContact CG-CD1 3.82Å; L382-L386 HydrophobicContact CG-CG 4.4Å; L382-L386 WeakPolarHBondContact O-CB 3.25Å; L382-L386 VanDerWaalsContact O-CG 3.24Å; L382-L386 WeakPolarHBondContact O-CG 3.26Å; L382-L386 PolarHBondContact O-N 3.46Å |
| 383 | N | 91.8 | Very high | 89.2 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 8% | 0.075 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 174.9 | -177.3 | 74 | 0 | 0 | 0 | 112.2 | I379 Y380 F381 S385 L386 R388 P389 V390 A395 | I379-N383 PolarHBondContact O-N 3.32Å; Y380-N383 WeakPolarHBondContact O-CB 3.38Å; Y380-N383 PolarHBondContact O-N 3.16Å; F381-N383 VanDerWaalsContact C-N 3.33Å; F381-N383 PolarHBondContact O-N 2.87Å; N383-S385 PolarHBondContact O-N 3.15Å; N383-L386 PolarHBondContact O-N 3.29Å; N383-R388 VanDerWaalsContact O-CA 3.29Å; N383-R388 WeakPolarHBondContact O-CA 3.31Å; N383-R388 PolarHBondContact O-N 2.87Å; N383-P389 WeakPolarHBondContact O-CD 3.34Å; N383-P389 WeakPolarHBondContact OD1-CD 3.48Å; N383-P389 WeakPolarHBondContact OD1-CG 3.3Å; N383-V390 PolarHBondContact ND2-O 3.45Å; N383-V390 WeakPolarHBondContact OD1-CA 3.31Å; N383-V390 VanDerWaalsContact OD1-CB 3.27Å; N383-V390 WeakPolarHBondContact OD1-CB 3.48Å; N383-V390 PolarHBondContact OD1-N 3.39Å; N383-V390 PolarHBondContact OD1-O 2.87Å; N383-A395 VanDerWaalsContact ND2-CB 3.32Å; N383-A395 WeakPolarHBondContact ND2-CB 3.26Å |
| 384 | E | 91.2 | Very high | 88.6 | Confident | 51 Ų | 51 | 61.4 Ų | 61.4 | 24% | 0.238 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 177.1 | -72.4 | -66.4 | 129.3 | 0 | 0 | 111.8 | Y380 F381 L386 G387 R388 | Y380-E384 HydrophobicContact CE1-CG 4.03Å; Y380-E384 PolarHBondContact O-N 3.19Å; Y380-E384 VanDerWaalsContact O-N 3.1Å; F381-E384 PolarHBondContact O-N 2.64Å; E384-L386 VanDerWaalsContact C-N 3.33Å; E384-L386 PolarHBondContact O-N 3.11Å; E384-G387 PolarHBondContact O-N 3.4Å; E384-R388 VanDerWaalsContact CD-NE 3.28Å; E384-R388 IonicContact OE1-CZ 3.57Å; E384-R388 IonicContact OE1-NE 2.8Å; E384-R388 PolarHBondContact OE1-NE 3.09Å; E384-R388 IonicContact OE1-NH2 3.89Å; E384-R388 IonicContact OE2-CZ 2.96Å; E384-R388 VanDerWaalsContact OE2-CZ 3.24Å; E384-R388 IonicContact OE2-NE 3.65Å; E384-R388 PolarHBondContact OE2-NE 3.13Å; E384-R388 IonicContact OE2-NH2 2.67Å; E384-R388 PolarHBondContact OE2-NH2 3.4Å |
| 385 | S | 91.6 | Very high | 88.4 | Confident | 73 Ų | 73 | 58.2 Ų | 58.2 | 51% | 0.51 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.9 | -29 | -177.8 | -57 | 0 | 0 | 0 | 0 | 113.4 | F381 L382 N383 G387 | F381-S385 VanDerWaalsContact CE1-OG 3.32Å; F381-S385 WeakPolarHBondContact CE1-OG 3.25Å; F381-S385 WeakPolarHBondContact CZ-OG 3.33Å; F381-S385 WeakPolarHBondContact O-CB 3.44Å; F381-S385 PolarHBondContact O-N 3.1Å; F381-S385 PolarHBondContact O-OG 3.08Å; L382-S385 PolarHBondContact O-N 3.49Å; N383-S385 PolarHBondContact O-N 3.15Å; S385-G387 PolarHBondContact O-N 2.91Å |
| 386 | L | 91.1 | Very high | 88.2 | Confident | 116 Ų | 116 | 56.7 Ų | 56.7 | 61% | 0.607 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 9.7 | 177.1 | -69.1 | 174.5 | 0 | 0 | 0 | 113.6 | L382 N383 E384 P389 | L382-L386 HydrophobicContact CD1-CD1 4.01Å; L382-L386 HydrophobicContact CD1-CG 4.24Å; L382-L386 HydrophobicContact CD2-CD1 4.49Å; L382-L386 HydrophobicContact CG-CD1 3.82Å; L382-L386 HydrophobicContact CG-CG 4.4Å; L382-L386 WeakPolarHBondContact O-CB 3.25Å; L382-L386 VanDerWaalsContact O-CG 3.24Å; L382-L386 WeakPolarHBondContact O-CG 3.26Å; L382-L386 PolarHBondContact O-N 3.46Å; N383-L386 PolarHBondContact O-N 3.29Å; E384-L386 VanDerWaalsContact C-N 3.33Å; E384-L386 PolarHBondContact O-N 3.11Å; L386-P389 HydrophobicContact CB-CG 4.3Å |
| 387 | G | 86 | Confident | 87.7 | Confident | 65 Ų | 65 | 56.3 Ų | 56.3 | 67% | 0.67 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | 28.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E384 S385 | E384-G387 PolarHBondContact O-N 3.4Å; S385-G387 PolarHBondContact O-N 2.91Å |
| 388 | R | 85 | Confident | 87.2 | Confident | 122 Ų | 122 | 55.1 Ų | 55.1 | 46% | 0.46 | 31% | 0.305 | S | S | . | . | trans | 58.5 | 59.2 | 176.5 | -58.1 | 179.4 | 175.9 | 155.4 | 8.4 | 114.3 | N383 E384 V390 | N383-R388 VanDerWaalsContact O-CA 3.29Å; N383-R388 WeakPolarHBondContact O-CA 3.31Å; N383-R388 PolarHBondContact O-N 2.87Å; E384-R388 VanDerWaalsContact CD-NE 3.28Å; E384-R388 IonicContact OE1-CZ 3.57Å; E384-R388 IonicContact OE1-NE 2.8Å; E384-R388 PolarHBondContact OE1-NE 3.09Å; E384-R388 IonicContact OE1-NH2 3.89Å; E384-R388 IonicContact OE2-CZ 2.96Å; E384-R388 VanDerWaalsContact OE2-CZ 3.24Å; E384-R388 IonicContact OE2-NE 3.65Å; E384-R388 PolarHBondContact OE2-NE 3.13Å; E384-R388 IonicContact OE2-NH2 2.67Å; E384-R388 PolarHBondContact OE2-NH2 3.4Å; R388-V390 PolarHBondContact O-N 2.75Å | ||
| 389 | P | 80.3 | Confident | 87 | Confident | 97 Ų | 97 | 52.5 Ų | 52.5 | 63% | 0.63 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -58.6 | -33.1 | 171.7 | 25.3 | -33.1 | 0 | 0 | 0 | 111.9 | N383 L386 | N383-P389 WeakPolarHBondContact O-CD 3.34Å; N383-P389 WeakPolarHBondContact OD1-CD 3.48Å; N383-P389 WeakPolarHBondContact OD1-CG 3.3Å; L386-P389 HydrophobicContact CB-CG 4.3Å |
| 390 | V | 78.8 | Confident | 86.8 | Confident | 46 Ų | 46 | 51 Ų | 51 | 28% | 0.279 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -97.8 | 129.9 | 165.2 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | N383 R388 A394 A395 V398 | N383-V390 PolarHBondContact ND2-O 3.45Å; N383-V390 WeakPolarHBondContact OD1-CA 3.31Å; N383-V390 VanDerWaalsContact OD1-CB 3.27Å; N383-V390 WeakPolarHBondContact OD1-CB 3.48Å; N383-V390 PolarHBondContact OD1-N 3.39Å; N383-V390 PolarHBondContact OD1-O 2.87Å; R388-V390 PolarHBondContact O-N 2.75Å; V390-A394 HydrophobicContact CG1-CB 3.83Å; V390-A395 HydrophobicContact CB-CB 4.45Å; V390-A395 HydrophobicContact CG1-CB 4.33Å; V390-V398 HydrophobicContact CG1-CB 4.39Å; V390-V398 HydrophobicContact CG1-CG2 4.02Å; V390-V398 HydrophobicContact CG2-CG1 4.43Å |
| 391 | Q | 78.9 | Confident | 86.5 | Confident | 61 Ų | 61 | 50.5 Ų | 50.5 | 29% | 0.285 | 28% | 0.276 | S | S | . | . | trans | -57.5 | 144.5 | 178.7 | 68.6 | 179.9 | 22.4 | 0 | 0 | 112.1 | G40 M393 A394 A395 | G40-Q391 PolarHBondContact O-OE1 3.25Å; Q391-M393 PolarHBondContact O-N 2.88Å; Q391-M393 VanDerWaalsContact O-N 3.08Å; Q391-A394 HydrophobicContact CG-CB 3.92Å; Q391-A394 PolarHBondContact O-N 2.97Å; Q391-A395 PolarHBondContact O-N 3.44Å | ||
| 392 | K | 82.1 | Confident | 86.3 | Confident | 77 Ų | 77 | 47.1 Ų | 47.1 | 34% | 0.335 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -39 | -170 | -167.8 | 176.9 | 175.8 | -139 | 0 | 114.1 | E353 A394 P396 | E353-K392 WeakPolarHBondContact OE2-CD 3.35Å; E353-K392 WeakPolarHBondContact OE2-CE 3.46Å; E353-K392 IonicContact OE2-NZ 2.74Å; E353-K392 PolarHBondContact OE2-NZ 3.48Å; K392-A394 PolarHBondContact O-N 2.97Å; K392-P396 VanDerWaalsContact O-CD 3.26Å; K392-P396 WeakPolarHBondContact O-CD 3.28Å |
| 393 | M | 78.3 | Confident | 86.3 | Confident | 11 Ų | 11 | 42.4 Ų | 42.4 | 5% | 0.054 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -33.8 | 177.1 | -176 | 177.3 | 167.1 | 0 | 0 | 113.7 | F45 M352 E353 L356 Q391 | F45-M393 HydrophobicContact CD1-CE 3.53Å; F45-M393 HydrophobicContact CD1-SD 4.33Å; F45-M393 HydrophobicContact CE1-CE 3.14Å; F45-M393 HydrophobicContact CE1-SD 3.74Å; F45-M393 HydrophobicContact CE2-CE 4.41Å; F45-M393 HydrophobicContact CE2-SD 3.99Å; F45-M393 HydrophobicContact CG-CE 4.32Å; F45-M393 HydrophobicContact CZ-CE 3.64Å; F45-M393 HydrophobicContact CZ-SD 3.52Å; F45-M393 VanDerWaalsContact CZ-SD 3.52Å; M352-M393 HydrophobicContact CB-CE 3.5Å; M352-M393 VanDerWaalsContact CB-CE 3.5Å; M352-M393 HydrophobicContact CB-SD 4.1Å; M352-M393 HydrophobicContact CE-CE 3.64Å; M352-M393 HydrophobicContact CG-CE 3.88Å; E353-M393 HydrophobicContact CG-CB 4.09Å; L356-M393 HydrophobicContact CD1-CE 3.86Å; L356-M393 HydrophobicContact CD1-CG 3.76Å; L356-M393 VanDerWaalsContact CD1-O 3.28Å; L356-M393 WeakPolarHBondContact CD1-O 3.42Å; Q391-M393 PolarHBondContact O-N 2.88Å; Q391-M393 VanDerWaalsContact O-N 3.08Å |
| 394 | A | 78.9 | Confident | 86.1 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 2% | 0.017 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -21 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G44 V390 Q391 K392 P396 V397 V398 | G44-A394 VanDerWaalsContact CA-CB 3.41Å; V390-A394 HydrophobicContact CG1-CB 3.83Å; Q391-A394 HydrophobicContact CG-CB 3.92Å; Q391-A394 PolarHBondContact O-N 2.97Å; K392-A394 PolarHBondContact O-N 2.97Å; A394-P396 VanDerWaalsContact C-CD 3.5Å; A394-V397 PolarHBondContact O-N 3.32Å; A394-V397 VanDerWaalsContact O-N 3.14Å; A394-V398 WeakPolarHBondContact O-CG2 3.44Å; A394-V398 PolarHBondContact O-N 3.22Å |
| 395 | A | 86.8 | Confident | 86 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 3% | 0.025 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54 | -43.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y380 N383 V390 Q391 V397 A399 | Y380-A395 HydrophobicContact CD2-CB 3.94Å; Y380-A395 HydrophobicContact CE2-CB 3.87Å; N383-A395 VanDerWaalsContact ND2-CB 3.32Å; N383-A395 WeakPolarHBondContact ND2-CB 3.26Å; V390-A395 HydrophobicContact CB-CB 4.45Å; V390-A395 HydrophobicContact CG1-CB 4.33Å; Q391-A395 PolarHBondContact O-N 3.44Å; A395-V397 PolarHBondContact O-N 2.92Å; A395-A399 VanDerWaalsContact O-CB 3.23Å; A395-A399 WeakPolarHBondContact O-CB 3.24Å; A395-A399 PolarHBondContact O-N 2.87Å |
| 396 | P | 89.1 | Confident | 85.9 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 178 | -21.1 | 32.2 | 0 | 0 | 0 | 113 | L357 S360 Y380 K392 A394 A399 V400 | L357-P396 HydrophobicContact CB-CB 4.34Å; L357-P396 HydrophobicContact CB-CG 4.02Å; L357-P396 HydrophobicContact CD1-CB 4.03Å; L357-P396 HydrophobicContact CD1-CG 3.93Å; S360-P396 WeakPolarHBondContact CB-O 3.49Å; S360-P396 WeakPolarHBondContact OG-CB 3.28Å; S360-P396 PolarHBondContact OG-O 3.45Å; Y380-P396 HydrophobicContact CD2-CB 4.5Å; Y380-P396 HydrophobicContact CD2-CG 4.08Å; Y380-P396 HydrophobicContact CE2-CG 3.77Å; K392-P396 VanDerWaalsContact O-CD 3.26Å; K392-P396 WeakPolarHBondContact O-CD 3.28Å; A394-P396 VanDerWaalsContact C-CD 3.5Å; P396-A399 WeakPolarHBondContact O-CB 3.26Å; P396-A399 PolarHBondContact O-N 3.15Å; P396-V400 PolarHBondContact O-N 3.44Å |
| 397 | V | 84.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.9 | -42.6 | -177.7 | -172.2 | 0 | 0 | 0 | 0 | 110.9 | S52 L118 L356 S360 A394 A395 A399 V400 M401 | S52-V397 VanDerWaalsContact OG-CG1 3.24Å; S52-V397 WeakPolarHBondContact OG-CG1 3.45Å; L118-V397 HydrophobicContact CD1-CG1 4.11Å; L118-V397 HydrophobicContact CD2-CG2 4.09Å; L356-V397 HydrophobicContact CB-CG2 4.12Å; L356-V397 HydrophobicContact CD1-CG2 4.35Å; L356-V397 HydrophobicContact CD2-CG2 3.81Å; L356-V397 HydrophobicContact CG-CG2 4.32Å; S360-V397 PolarHBondContact OG-N 3.49Å; A394-V397 PolarHBondContact O-N 3.32Å; A394-V397 VanDerWaalsContact O-N 3.14Å; A395-V397 PolarHBondContact O-N 2.92Å; V397-A399 VanDerWaalsContact C-N 3.3Å; V397-A399 PolarHBondContact O-N 2.96Å; V397-V400 VanDerWaalsContact O-CG1 3.28Å; V397-V400 WeakPolarHBondContact O-CG1 3.49Å; V397-V400 PolarHBondContact O-N 2.86Å; V397-M401 HydrophobicContact CG1-CE 4.14Å; V397-M401 WeakPolarHBondContact O-CG 3.41Å; V397-M401 PolarHBondContact O-N 3.4Å |
| 398 | V | 85.7 | Confident | 85.5 | Confident | 33 Ų | 33 | 36.3 Ų | 36.3 | 20% | 0.2 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 173.8 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | A47 V390 A394 V400 M401 I402 | A47-V398 HydrophobicContact CB-CG2 4.49Å; V390-V398 HydrophobicContact CG1-CB 4.39Å; V390-V398 HydrophobicContact CG1-CG2 4.02Å; V390-V398 HydrophobicContact CG2-CG1 4.43Å; A394-V398 WeakPolarHBondContact O-CG2 3.44Å; A394-V398 PolarHBondContact O-N 3.22Å; V398-V400 PolarHBondContact O-N 2.88Å; V398-M401 HydrophobicContact CB-CE 4.49Å; V398-M401 HydrophobicContact CG2-CE 4.06Å; V398-M401 PolarHBondContact O-N 2.79Å; V398-I402 HydrophobicContact CG1-CD1 3.73Å; V398-I402 HydrophobicContact CG1-CG1 4.32Å; V398-I402 VanDerWaalsContact O-CG1 3.29Å; V398-I402 WeakPolarHBondContact O-CG1 3.43Å; V398-I402 PolarHBondContact O-N 3.31Å |
| 399 | A | 91.4 | Very high | 85.1 | Confident | 3 Ų | 3 | 34 Ų | 34 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.2 | -47.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I379 A395 P396 V397 M401 I402 T403 | I379-A399 HydrophobicContact CB-CB 4.02Å; I379-A399 HydrophobicContact CG2-CB 3.79Å; A395-A399 VanDerWaalsContact O-CB 3.23Å; A395-A399 WeakPolarHBondContact O-CB 3.24Å; A395-A399 PolarHBondContact O-N 2.87Å; P396-A399 WeakPolarHBondContact O-CB 3.26Å; P396-A399 PolarHBondContact O-N 3.15Å; V397-A399 VanDerWaalsContact C-N 3.3Å; V397-A399 PolarHBondContact O-N 2.96Å; A399-M401 PolarHBondContact O-N 3.07Å; A399-I402 PolarHBondContact O-N 2.99Å; A399-T403 PolarHBondContact O-N 3.22Å; A399-T403 PolarHBondContact O-OG1 3.49Å |
| 400 | V | 90.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.8 | -32.2 | 178.9 | 73.5 | 0 | 0 | 0 | 0 | 113.1 | L115 S360 A363 A364 M367 P396 V397 V398 T403 G404 | L115-V400 HydrophobicContact CD2-CG1 3.96Å; S360-V400 WeakPolarHBondContact O-CG2 3.3Å; A363-V400 HydrophobicContact CB-CG2 3.88Å; A364-V400 HydrophobicContact CB-CG2 3.98Å; M367-V400 HydrophobicContact CE-CG2 3.8Å; M367-V400 HydrophobicContact SD-CG2 4.41Å; P396-V400 PolarHBondContact O-N 3.44Å; V397-V400 VanDerWaalsContact O-CG1 3.28Å; V397-V400 WeakPolarHBondContact O-CG1 3.49Å; V397-V400 PolarHBondContact O-N 2.86Å; V398-V400 PolarHBondContact O-N 2.88Å; V400-T403 WeakPolarHBondContact O-CB 3.49Å; V400-T403 PolarHBondContact O-N 2.86Å; V400-G404 PolarHBondContact O-N 3.45Å |
| 401 | M | 86.6 | Confident | 84.2 | Confident | 42 Ų | 42 | 32.5 Ų | 32.5 | 21% | 0.207 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.7 | -45.5 | 172.2 | -74.3 | -171.7 | -66.2 | 0 | 0 | 111.4 | L115 V397 V398 A399 T403 G404 I405 | L115-M401 HydrophobicContact CD2-CG 4.45Å; V397-M401 HydrophobicContact CG1-CE 4.14Å; V397-M401 WeakPolarHBondContact O-CG 3.41Å; V397-M401 PolarHBondContact O-N 3.4Å; V398-M401 HydrophobicContact CB-CE 4.49Å; V398-M401 HydrophobicContact CG2-CE 4.06Å; V398-M401 PolarHBondContact O-N 2.79Å; A399-M401 PolarHBondContact O-N 3.07Å; M401-T403 VanDerWaalsContact C-N 3.31Å; M401-T403 PolarHBondContact O-N 3.5Å; M401-G404 PolarHBondContact O-N 3.28Å; M401-I405 WeakPolarHBondContact O-CG1 3.15Å; M401-I405 PolarHBondContact O-N 3.07Å |
| 402 | I | 90.8 | Very high | 83.4 | Confident | 68 Ų | 68 | 36.1 Ų | 36.1 | 35% | 0.349 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.6 | -40 | 175.6 | -65.2 | 168.9 | 0 | 0 | 0 | 110.3 | I379 V398 A399 G404 I405 L406 | I379-I402 HydrophobicContact CD1-CB 3.98Å; I379-I402 HydrophobicContact CD1-CG2 3.62Å; I379-I402 HydrophobicContact CG1-CG2 4.43Å; I379-I402 HydrophobicContact CG2-CD1 4.14Å; V398-I402 HydrophobicContact CG1-CD1 3.73Å; V398-I402 HydrophobicContact CG1-CG1 4.32Å; V398-I402 VanDerWaalsContact O-CG1 3.29Å; V398-I402 WeakPolarHBondContact O-CG1 3.43Å; V398-I402 PolarHBondContact O-N 3.31Å; A399-I402 PolarHBondContact O-N 2.99Å; I402-G404 PolarHBondContact O-N 3.46Å; I402-I405 PolarHBondContact O-N 2.79Å; I402-L406 HydrophobicContact CG2-CD1 3.96Å; I402-L406 WeakPolarHBondContact O-CB 3.21Å; I402-L406 PolarHBondContact O-N 2.88Å |
| 403 | T | 92.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.3 | -46.9 | 172.4 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | I375 A376 A399 V400 M401 I405 L406 L407 | I375-T403 HydrophobicContact CB-CG2 4.05Å; I375-T403 HydrophobicContact CG2-CG2 3.93Å; A376-T403 WeakPolarHBondContact CA-OG1 3.43Å; A376-T403 HydrophobicContact CB-CG2 4.47Å; A376-T403 WeakPolarHBondContact CB-OG1 3.34Å; A376-T403 PolarHBondContact N-OG1 3.26Å; A399-T403 PolarHBondContact O-N 3.22Å; A399-T403 PolarHBondContact O-OG1 3.49Å; V400-T403 WeakPolarHBondContact O-CB 3.49Å; V400-T403 PolarHBondContact O-N 2.86Å; M401-T403 VanDerWaalsContact C-N 3.31Å; M401-T403 PolarHBondContact O-N 3.5Å; T403-I405 VanDerWaalsContact C-N 3.31Å; T403-I405 PolarHBondContact O-N 3.38Å; T403-L406 PolarHBondContact O-N 3.48Å; T403-L407 HydrophobicContact CG2-CD1 3.71Å; T403-L407 HydrophobicContact CG2-CG 4.04Å; T403-L407 WeakPolarHBondContact O-CB 3.49Å; T403-L407 VanDerWaalsContact O-CG 3.23Å; T403-L407 WeakPolarHBondContact O-CG 3.43Å; T403-L407 PolarHBondContact O-N 2.96Å |
| 404 | G | 88.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.8 | -39.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V400 M401 I402 N408 | V400-G404 PolarHBondContact O-N 3.45Å; M401-G404 PolarHBondContact O-N 3.28Å; I402-G404 PolarHBondContact O-N 3.46Å; G404-N408 PolarHBondContact O-N 3.1Å; G404-N408 VanDerWaalsContact O-N 3.12Å; G404-N408 PolarHBondContact O-ND2 3.38Å |
| 405 | I | 89.1 | Confident | 80 | Confident | 111 Ų | 111 | 41.2 Ų | 41.2 | 57% | 0.569 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -65.1 | -49.5 | 174.1 | -64.8 | 166.9 | 0 | 0 | 0 | 110.3 | M401 I402 T403 L407 N408 V409 | M401-I405 WeakPolarHBondContact O-CG1 3.15Å; M401-I405 PolarHBondContact O-N 3.07Å; I402-I405 PolarHBondContact O-N 2.79Å; T403-I405 VanDerWaalsContact C-N 3.31Å; T403-I405 PolarHBondContact O-N 3.38Å; I405-L407 PolarHBondContact O-N 3.12Å; I405-N408 PolarHBondContact O-N 3.21Å; I405-V409 WeakPolarHBondContact O-CG2 3.13Å; I405-V409 PolarHBondContact O-N 2.86Å |
| 406 | L | 89.7 | Confident | 78.4 | Confident | 74 Ų | 74 | 41.7 Ų | 41.7 | 39% | 0.387 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.4 | -44.9 | 178.6 | -92 | 160.8 | 0 | 0 | 0 | 112.2 | I375 I379 I402 T403 N408 V409 L410 | I375-L406 HydrophobicContact CG2-CD1 3.97Å; I379-L406 HydrophobicContact CD1-CD1 4.02Å; I402-L406 HydrophobicContact CG2-CD1 3.96Å; I402-L406 WeakPolarHBondContact O-CB 3.21Å; I402-L406 PolarHBondContact O-N 2.88Å; T403-L406 PolarHBondContact O-N 3.48Å; L406-N408 VanDerWaalsContact C-N 3.32Å; L406-N408 PolarHBondContact O-N 2.79Å; L406-V409 PolarHBondContact O-N 3.28Å; L406-L410 WeakPolarHBondContact O-CB 3.46Å; L406-L410 VanDerWaalsContact O-CG 3.26Å; L406-L410 WeakPolarHBondContact O-CG 3.24Å; L406-L410 PolarHBondContact O-N 3.12Å |
| 407 | L | 84.6 | Confident | 77.4 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.5 | -41.4 | 178.5 | -71.9 | 173.2 | 0 | 0 | 0 | 111.1 | V109 M367 A368 I375 T403 I405 L410 Y411 L416 | V109-L407 HydrophobicContact CB-CB 4.38Å; V109-L407 HydrophobicContact CG1-CB 4.05Å; V109-L407 HydrophobicContact CG1-CD1 4.25Å; V109-L407 HydrophobicContact CG2-CB 4.19Å; M367-L407 HydrophobicContact CB-CD1 3.62Å; M367-L407 HydrophobicContact SD-CD1 4.37Å; A368-L407 HydrophobicContact CB-CD1 3.57Å; A368-L407 HydrophobicContact CB-CD2 3.51Å; A368-L407 HydrophobicContact CB-CG 4.17Å; I375-L407 HydrophobicContact CD1-CD2 3.88Å; T403-L407 HydrophobicContact CG2-CD1 3.71Å; T403-L407 HydrophobicContact CG2-CG 4.04Å; T403-L407 WeakPolarHBondContact O-CB 3.49Å; T403-L407 VanDerWaalsContact O-CG 3.23Å; T403-L407 WeakPolarHBondContact O-CG 3.43Å; T403-L407 PolarHBondContact O-N 2.96Å; I405-L407 PolarHBondContact O-N 3.12Å; L407-L410 HydrophobicContact CD2-CD1 4.46Å; L407-L410 PolarHBondContact O-N 3.37Å; L407-Y411 WeakPolarHBondContact O-CB 3.49Å; L407-Y411 PolarHBondContact O-N 2.92Å; L407-L416 HydrophobicContact CB-CD1 4.08Å; L407-L416 HydrophobicContact CD2-CD1 3.91Å; L407-L416 HydrophobicContact CD2-CD2 4.11Å; L407-L416 WeakPolarHBondContact O-CD1 3.38Å |
| 408 | N | 83 | Confident | 77 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.032 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 173.2 | -84.9 | -68.8 | 0 | 0 | 0 | 111.9 | L107 P108 V109 V111 G404 I405 L406 L410 Y411 W412 | L107-N408 WeakPolarHBondContact CB-OD1 3.44Å; L107-N408 HydrophobicContact CD2-CB 4.49Å; P108-N408 WeakPolarHBondContact CD-OD1 3.45Å; P108-N408 WeakPolarHBondContact CG-OD1 3.12Å; V109-N408 PolarHBondContact N-OD1 2.85Å; V109-N408 PolarHBondContact O-ND2 2.99Å; V111-N408 WeakPolarHBondContact CG2-ND2 3.32Å; G404-N408 PolarHBondContact O-N 3.1Å; G404-N408 VanDerWaalsContact O-N 3.12Å; G404-N408 PolarHBondContact O-ND2 3.38Å; I405-N408 PolarHBondContact O-N 3.21Å; L406-N408 VanDerWaalsContact C-N 3.32Å; L406-N408 PolarHBondContact O-N 2.79Å; N408-L410 VanDerWaalsContact C-N 3.31Å; N408-L410 PolarHBondContact O-N 3.24Å; N408-Y411 WeakPolarHBondContact O-CB 3.34Å; N408-Y411 PolarHBondContact O-N 3.26Å; N408-Y411 VanDerWaalsContact O-N 3.14Å; N408-W412 PolarHBondContact O-N 2.7Å |
| 409 | V | 77.6 | Confident | 76.5 | Confident | 75 Ų | 75 | 46.2 Ų | 46.2 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58 | -44.6 | 173.9 | 173 | 0 | 0 | 0 | 0 | 111.1 | I405 L406 Y411 W412 L413 | I405-V409 WeakPolarHBondContact O-CG2 3.13Å; I405-V409 PolarHBondContact O-N 2.86Å; L406-V409 PolarHBondContact O-N 3.28Å; V409-Y411 VanDerWaalsContact C-N 3.31Å; V409-Y411 PolarHBondContact O-N 3.33Å; V409-W412 PolarHBondContact O-N 3.13Å; V409-L413 HydrophobicContact CG1-CD1 3.96Å; V409-L413 HydrophobicContact CG1-CG 4.43Å; V409-L413 WeakPolarHBondContact O-CB 3.2Å; V409-L413 VanDerWaalsContact O-CG 3.26Å; V409-L413 WeakPolarHBondContact O-CG 3.45Å; V409-L413 PolarHBondContact O-N 2.96Å |
| 410 | L | 73.2 | Confident | 75.7 | Confident | 46 Ų | 46 | 51.6 Ų | 51.6 | 24% | 0.241 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -36.1 | 176.7 | -70.4 | 172.2 | 0 | 0 | 0 | 112.4 | I375 L406 L407 N408 L413 G414 L415 L416 | I375-L410 HydrophobicContact CD1-CD1 4.14Å; L406-L410 WeakPolarHBondContact O-CB 3.46Å; L406-L410 VanDerWaalsContact O-CG 3.26Å; L406-L410 WeakPolarHBondContact O-CG 3.24Å; L406-L410 PolarHBondContact O-N 3.12Å; L407-L410 HydrophobicContact CD2-CD1 4.46Å; L407-L410 PolarHBondContact O-N 3.37Å; N408-L410 VanDerWaalsContact C-N 3.31Å; N408-L410 PolarHBondContact O-N 3.24Å; L410-L413 PolarHBondContact O-N 3.48Å; L410-G414 PolarHBondContact O-N 2.88Å; L410-L415 HydrophobicContact CD2-CB 4.3Å; L410-L415 HydrophobicContact CD2-CD1 3.74Å; L410-L415 WeakPolarHBondContact O-CB 3.43Å; L410-L415 PolarHBondContact O-N 3.24Å; L410-L416 HydrophobicContact CB-CD1 4.01Å; L410-L416 HydrophobicContact CB-CG 4.06Å; L410-L416 PolarHBondContact O-N 3.37Å |
| 411 | Y | 65.8 | Low | 75.5 | Confident | 65 Ų | 65 | 52 Ų | 52 | 26% | 0.255 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.5 | -48.3 | 173.2 | -176.9 | -80.2 | 0 | 0 | 0 | 111 | P108 L407 N408 V409 L413 G414 T417 | P108-Y411 HydrophobicContact CB-CD1 3.29Å; P108-Y411 HydrophobicContact CB-CD2 3.96Å; P108-Y411 HydrophobicContact CB-CE1 3.23Å; P108-Y411 HydrophobicContact CB-CE2 3.9Å; P108-Y411 HydrophobicContact CB-CG 3.66Å; P108-Y411 HydrophobicContact CG-CD1 3.14Å; P108-Y411 HydrophobicContact CG-CD2 4.44Å; P108-Y411 HydrophobicContact CG-CE1 3.56Å; P108-Y411 HydrophobicContact CG-CG 3.66Å; L407-Y411 WeakPolarHBondContact O-CB 3.49Å; L407-Y411 PolarHBondContact O-N 2.92Å; N408-Y411 WeakPolarHBondContact O-CB 3.34Å; N408-Y411 PolarHBondContact O-N 3.26Å; N408-Y411 VanDerWaalsContact O-N 3.14Å; V409-Y411 VanDerWaalsContact C-N 3.31Å; V409-Y411 PolarHBondContact O-N 3.33Å; Y411-L413 PolarHBondContact O-N 3.38Å; Y411-G414 WeakPolarHBondContact O-CA 3.43Å; Y411-G414 PolarHBondContact O-N 3.05Å; Y411-T417 HydrophobicContact CD2-CG2 4.17Å; Y411-T417 HydrophobicContact CE2-CG2 3.8Å |
| 412 | W | 62.2 | Low | 75.5 | Confident | 137 Ų | 137 | 53.8 Ų | 53.8 | 52% | 0.519 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.5 | -31.1 | 178 | -84.1 | 94.7 | 0 | 0 | 0 | 112.6 | N408 V409 G414 | N408-W412 PolarHBondContact O-N 2.7Å; V409-W412 PolarHBondContact O-N 3.13Å; W412-G414 PolarHBondContact O-N 3.27Å |
| 413 | L | 60.4 | Low | 75.3 | Confident | 105 Ų | 105 | 56.2 Ų | 56.2 | 55% | 0.55 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -5.4 | 170.7 | -66.9 | 171.7 | 0 | 0 | 0 | 113.4 | V409 L410 Y411 L415 | V409-L413 HydrophobicContact CG1-CD1 3.96Å; V409-L413 HydrophobicContact CG1-CG 4.43Å; V409-L413 WeakPolarHBondContact O-CB 3.2Å; V409-L413 VanDerWaalsContact O-CG 3.26Å; V409-L413 WeakPolarHBondContact O-CG 3.45Å; V409-L413 PolarHBondContact O-N 2.96Å; L410-L413 PolarHBondContact O-N 3.48Å; Y411-L413 PolarHBondContact O-N 3.38Å; L413-L415 VanDerWaalsContact C-N 3.27Å; L413-L415 HydrophobicContact CB-CD1 3.89Å; L413-L415 HydrophobicContact CB-CG 4.08Å; L413-L415 HydrophobicContact CD1-CD1 4.12Å; L413-L415 PolarHBondContact O-N 3.32Å |
| 414 | G | 55.9 | Low | 75.1 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 12% | 0.124 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 10.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L410 Y411 W412 T417 I418 | L410-G414 PolarHBondContact O-N 2.88Å; Y411-G414 WeakPolarHBondContact O-CA 3.43Å; Y411-G414 PolarHBondContact O-N 3.05Å; W412-G414 PolarHBondContact O-N 3.27Å; G414-T417 PolarHBondContact O-OG1 3.42Å; G414-I418 PolarHBondContact O-N 3.24Å |
| 415 | L | 52.4 | Low | 75.3 | Confident | 80 Ų | 80 | 60.9 Ų | 60.9 | 42% | 0.419 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -81.7 | -33.5 | -172.4 | -69.5 | 167.9 | 0 | 0 | 0 | 113 | L410 L413 I418 I419 | L410-L415 HydrophobicContact CD2-CB 4.3Å; L410-L415 HydrophobicContact CD2-CD1 3.74Å; L410-L415 WeakPolarHBondContact O-CB 3.43Å; L410-L415 PolarHBondContact O-N 3.24Å; L413-L415 VanDerWaalsContact C-N 3.27Å; L413-L415 HydrophobicContact CB-CD1 3.89Å; L413-L415 HydrophobicContact CB-CG 4.08Å; L413-L415 HydrophobicContact CD1-CD1 4.12Å; L413-L415 PolarHBondContact O-N 3.32Å; L415-I418 VanDerWaalsContact O-CG2 3.31Å; L415-I418 WeakPolarHBondContact O-CG2 3.21Å; L415-I419 WeakPolarHBondContact O-CD1 3.32Å; L415-I419 VanDerWaalsContact O-CG1 3.31Å; L415-I419 WeakPolarHBondContact O-CG1 3.23Å; L415-I419 PolarHBondContact O-N 3.37Å |
| 416 | L | 53.1 | Low | 75.5 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 6% | 0.063 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.9 | -43.1 | 174.7 | -85.4 | 163.5 | 0 | 0 | 0 | 111.3 | V109 A368 L407 L410 I418 I419 E420 | V109-L416 HydrophobicContact CG2-CD1 4.05Å; A368-L416 HydrophobicContact CB-CD2 4.34Å; L407-L416 HydrophobicContact CB-CD1 4.08Å; L407-L416 HydrophobicContact CD2-CD1 3.91Å; L407-L416 HydrophobicContact CD2-CD2 4.11Å; L407-L416 WeakPolarHBondContact O-CD1 3.38Å; L410-L416 HydrophobicContact CB-CD1 4.01Å; L410-L416 HydrophobicContact CB-CG 4.06Å; L410-L416 PolarHBondContact O-N 3.37Å; L416-I418 VanDerWaalsContact C-N 3.32Å; L416-I418 PolarHBondContact O-N 3.44Å; L416-I419 PolarHBondContact O-N 2.9Å; L416-E420 WeakPolarHBondContact O-CG 3.41Å; L416-E420 PolarHBondContact O-N 3.27Å |
| 417 | T | 67.7 | Low | 75.7 | Confident | 27 Ų | 27 | 60 Ų | 60 | 17% | 0.166 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.5 | -35.3 | -179.1 | 51.2 | 0 | 0 | 0 | 0 | 112.6 | Y411 G414 A421 | Y411-T417 HydrophobicContact CD2-CG2 4.17Å; Y411-T417 HydrophobicContact CE2-CG2 3.8Å; G414-T417 PolarHBondContact O-OG1 3.42Å; T417-A421 WeakPolarHBondContact O-CB 3.32Å; T417-A421 PolarHBondContact O-N 2.89Å |
| 418 | I | 76.1 | Confident | 76.2 | Confident | 35 Ų | 35 | 60 Ų | 60 | 18% | 0.179 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72.8 | -36.7 | 179 | -161.9 | 66.2 | 0 | 0 | 0 | 111.8 | G414 L415 L416 A421 Q422 V651 A654 V655 | G414-I418 PolarHBondContact O-N 3.24Å; L415-I418 VanDerWaalsContact O-CG2 3.31Å; L415-I418 WeakPolarHBondContact O-CG2 3.21Å; L416-I418 VanDerWaalsContact C-N 3.32Å; L416-I418 PolarHBondContact O-N 3.44Å; I418-A421 PolarHBondContact O-N 3.15Å; I418-Q422 VanDerWaalsContact O-CG 3.31Å; I418-Q422 WeakPolarHBondContact O-CG 3.05Å; I418-Q422 PolarHBondContact O-N 3.08Å; I418-V651 HydrophobicContact CD1-CB 4.46Å; I418-V651 HydrophobicContact CD1-CG1 3.78Å; I418-A654 HydrophobicContact CD1-CB 3.78Å; I418-V655 HydrophobicContact CD1-CG2 3.92Å |
| 419 | I | 74.4 | Confident | 76.9 | Confident | 73 Ų | 73 | 62.3 Ų | 62.3 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.7 | -47.2 | 177.7 | -67.1 | 170 | 0 | 0 | 0 | 110.1 | L415 L416 A421 Q422 Q423 | L415-I419 WeakPolarHBondContact O-CD1 3.32Å; L415-I419 VanDerWaalsContact O-CG1 3.31Å; L415-I419 WeakPolarHBondContact O-CG1 3.23Å; L415-I419 PolarHBondContact O-N 3.37Å; L416-I419 PolarHBondContact O-N 2.9Å; I419-A421 VanDerWaalsContact C-N 3.27Å; I419-A421 PolarHBondContact O-N 3.22Å; I419-Q422 WeakPolarHBondContact O-CB 3.26Å; I419-Q422 PolarHBondContact O-N 3.11Å; I419-Q423 WeakPolarHBondContact O-CG 3.18Å; I419-Q423 PolarHBondContact O-N 3.45Å |
| 420 | E | 76.6 | Confident | 77.9 | Confident | 116 Ų | 116 | 62.8 Ų | 62.8 | 54% | 0.542 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 175.6 | -70.4 | 175.5 | 162.8 | 0 | 0 | 111.6 | L416 Q423 K424 | L416-E420 WeakPolarHBondContact O-CG 3.41Å; L416-E420 PolarHBondContact O-N 3.27Å; E420-Q423 PolarHBondContact O-N 3.26Å; E420-K424 PolarHBondContact O-N 3.26Å |
| 421 | A | 85 | Confident | 79 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | T417 I418 I419 K424 Q425 P650 V651 A654 | T417-A421 WeakPolarHBondContact O-CB 3.32Å; T417-A421 PolarHBondContact O-N 2.89Å; I418-A421 PolarHBondContact O-N 3.15Å; I419-A421 VanDerWaalsContact C-N 3.27Å; I419-A421 PolarHBondContact O-N 3.22Å; A421-K424 PolarHBondContact O-N 2.93Å; A421-Q425 PolarHBondContact O-N 3Å; A421-P650 HydrophobicContact CB-CB 3.98Å; A421-P650 WeakPolarHBondContact CB-O 3.46Å; A421-V651 HydrophobicContact CB-CG2 4.17Å; A421-A654 HydrophobicContact CB-CB 3.67Å |
| 422 | Q | 87.2 | Confident | 80.5 | Confident | 80 Ų | 80 | 58.3 Ų | 58.3 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 173.7 | -76.8 | 176.6 | -23.8 | 0 | 0 | 111.4 | I418 I419 K424 Q425 F426 V651 | I418-Q422 VanDerWaalsContact O-CG 3.31Å; I418-Q422 WeakPolarHBondContact O-CG 3.05Å; I418-Q422 PolarHBondContact O-N 3.08Å; I419-Q422 WeakPolarHBondContact O-CB 3.26Å; I419-Q422 PolarHBondContact O-N 3.11Å; Q422-K424 PolarHBondContact O-N 2.77Å; Q422-Q425 WeakPolarHBondContact O-CB 3.37Å; Q422-Q425 PolarHBondContact O-N 3.49Å; Q422-F426 HydrophobicContact CB-CE2 4.02Å; Q422-F426 HydrophobicContact CB-CZ 4.15Å; Q422-F426 VanDerWaalsContact O-CD2 3.28Å; Q422-F426 WeakPolarHBondContact O-CD2 3.26Å; Q422-F426 WeakPolarHBondContact O-CG 3.37Å; Q422-F426 PolarHBondContact O-N 3.36Å; Q422-V651 HydrophobicContact CG-CG2 3.96Å |
| 423 | Q | 86.6 | Confident | 82.2 | Confident | 119 Ų | 119 | 56 Ų | 56 | 56% | 0.556 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.3 | -42.5 | 176.5 | -67.9 | -61.5 | -30.4 | 0 | 0 | 111.8 | I419 E420 Q425 F426 A427 | I419-Q423 WeakPolarHBondContact O-CG 3.18Å; I419-Q423 PolarHBondContact O-N 3.45Å; E420-Q423 PolarHBondContact O-N 3.26Å; Q423-Q425 VanDerWaalsContact C-N 3.35Å; Q423-Q425 PolarHBondContact O-N 2.84Å; Q423-F426 PolarHBondContact O-N 2.95Å; Q423-A427 WeakPolarHBondContact O-CB 3.11Å; Q423-A427 PolarHBondContact O-N 3.02Å |
| 424 | K | 88.4 | Confident | 84 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 22% | 0.222 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 172.8 | -83.6 | -172 | 176 | -76.6 | 0 | 112.4 | E420 A421 Q422 L428 M583 V585 A586 P650 | E420-K424 PolarHBondContact O-N 3.26Å; A421-K424 PolarHBondContact O-N 2.93Å; Q422-K424 PolarHBondContact O-N 2.77Å; K424-L428 PolarHBondContact O-N 3.25Å; K424-L428 VanDerWaalsContact O-N 3.09Å; K424-M583 HydrophobicContact CB-SD 4.49Å; K424-M583 HydrophobicContact CD-SD 4.4Å; K424-V585 WeakPolarHBondContact CE-O 3.23Å; K424-A586 VanDerWaalsContact CE-O 3.32Å; K424-A586 WeakPolarHBondContact CE-O 3.36Å; K424-A586 PolarHBondContact NZ-O 3.22Å; K424-P650 HydrophobicContact CB-CB 4.25Å; K424-P650 HydrophobicContact CB-CG 4.48Å |
| 425 | Q | 93.2 | Very high | 86 | Confident | 47 Ų | 47 | 58.7 Ų | 58.7 | 22% | 0.22 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.3 | -48.2 | 174.1 | 179.1 | -179.9 | -27.3 | 0 | 0 | 111.2 | A421 Q422 Q423 L428 V429 V647 P650 V651 | A421-Q425 PolarHBondContact O-N 3Å; Q422-Q425 WeakPolarHBondContact O-CB 3.37Å; Q422-Q425 PolarHBondContact O-N 3.49Å; Q423-Q425 VanDerWaalsContact C-N 3.35Å; Q423-Q425 PolarHBondContact O-N 2.84Å; Q425-L428 PolarHBondContact O-N 3.2Å; Q425-V429 WeakPolarHBondContact O-CG2 3.29Å; Q425-V429 PolarHBondContact O-N 3.49Å; Q425-V647 HydrophobicContact CG-CG1 4.01Å; Q425-V647 WeakPolarHBondContact CG-O 3.24Å; Q425-P650 HydrophobicContact CB-CG 4.03Å; Q425-V651 HydrophobicContact CB-CG2 4.43Å |
| 426 | F | 93.4 | Very high | 88.2 | Confident | 107 Ų | 107 | 55.3 Ų | 55.3 | 47% | 0.469 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67 | -41.3 | -178.2 | -58.9 | -25.9 | 0 | 0 | 0 | 112.4 | Q422 Q423 L428 V429 D430 | Q422-F426 HydrophobicContact CB-CE2 4.02Å; Q422-F426 HydrophobicContact CB-CZ 4.15Å; Q422-F426 VanDerWaalsContact O-CD2 3.28Å; Q422-F426 WeakPolarHBondContact O-CD2 3.26Å; Q422-F426 WeakPolarHBondContact O-CG 3.37Å; Q422-F426 PolarHBondContact O-N 3.36Å; Q423-F426 PolarHBondContact O-N 2.95Å; F426-L428 VanDerWaalsContact C-N 3.32Å; F426-L428 PolarHBondContact O-N 2.68Å; F426-V429 PolarHBondContact O-N 3.49Å; F426-D430 WeakPolarHBondContact O-CB 3.45Å; F426-D430 PolarHBondContact O-N 3.18Å |
| 427 | A | 92.2 | Very high | 90.2 | Very high | 59 Ų | 59 | 57.7 Ų | 57.7 | 49% | 0.488 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q423 D430 S431 | Q423-A427 WeakPolarHBondContact O-CB 3.11Å; Q423-A427 PolarHBondContact O-N 3.02Å; A427-D430 PolarHBondContact O-N 3.44Å; A427-S431 PolarHBondContact O-N 3.07Å; A427-S431 VanDerWaalsContact O-N 3.08Å |
| 428 | L | 96.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 174.1 | 175.9 | 62.8 | 0 | 0 | 0 | 111.7 | K424 Q425 F426 D430 S431 I432 V465 A469 M583 L646 V647 | K424-L428 PolarHBondContact O-N 3.25Å; K424-L428 VanDerWaalsContact O-N 3.09Å; Q425-L428 PolarHBondContact O-N 3.2Å; F426-L428 VanDerWaalsContact C-N 3.32Å; F426-L428 PolarHBondContact O-N 2.68Å; L428-D430 VanDerWaalsContact C-N 3.31Å; L428-D430 PolarHBondContact O-N 2.99Å; L428-S431 WeakPolarHBondContact O-CB 3.33Å; L428-S431 PolarHBondContact O-N 3.5Å; L428-I432 WeakPolarHBondContact O-CG1 3.48Å; L428-I432 PolarHBondContact O-N 3.07Å; L428-V465 HydrophobicContact CD1-CG1 3.83Å; L428-A469 HydrophobicContact CD1-CB 3.61Å; L428-M583 HydrophobicContact CD2-CE 3.94Å; L428-L646 HydrophobicContact CD2-CB 3.74Å; L428-L646 HydrophobicContact CD2-CD2 4.38Å; L428-V647 HydrophobicContact CD2-CB 4.44Å; L428-V647 HydrophobicContact CD2-CG2 3.64Å; L428-V647 HydrophobicContact CG-CG2 4.12Å |
| 429 | V | 97.7 | Very high | 92.3 | Very high | 54 Ų | 54 | 62 Ų | 62 | 33% | 0.327 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.7 | -37 | 178.2 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | Q425 F426 S431 I432 C433 V647 | Q425-V429 WeakPolarHBondContact O-CG2 3.29Å; Q425-V429 PolarHBondContact O-N 3.49Å; F426-V429 PolarHBondContact O-N 3.49Å; V429-S431 VanDerWaalsContact C-N 3.34Å; V429-S431 PolarHBondContact O-N 3.19Å; V429-I432 WeakPolarHBondContact O-CB 3.41Å; V429-I432 PolarHBondContact O-N 3Å; V429-C433 PolarHBondContact O-N 2.96Å; V429-C433 PolarHBondContact O-SG 2.86Å; V429-C433 VanDerWaalsContact O-SG 3.36Å; V429-V647 HydrophobicContact CG2-CG1 4.02Å; V429-V647 HydrophobicContact CG2-CG2 4.04Å |
| 430 | D | 97.4 | Very high | 93.3 | Very high | 85 Ų | 85 | 62 Ų | 62 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 172.5 | 179.1 | 78.3 | 0 | 0 | 0 | 111.6 | F426 A427 L428 I432 C433 R434 | F426-D430 WeakPolarHBondContact O-CB 3.45Å; F426-D430 PolarHBondContact O-N 3.18Å; A427-D430 PolarHBondContact O-N 3.44Å; L428-D430 VanDerWaalsContact C-N 3.31Å; L428-D430 PolarHBondContact O-N 2.99Å; D430-I432 VanDerWaalsContact C-N 3.32Å; D430-I432 PolarHBondContact O-N 3.24Å; D430-C433 PolarHBondContact O-N 3.25Å; D430-R434 PolarHBondContact O-N 2.72Å; D430-R434 IonicContact OD2-CZ 3.2Å; D430-R434 IonicContact OD2-NE 2.63Å; D430-R434 PolarHBondContact OD2-NE 3.23Å; D430-R434 IonicContact OD2-NH2 2.79Å; D430-R434 PolarHBondContact OD2-NH2 2.6Å; D430-R434 VanDerWaalsContact OD2-NH2 3.13Å |
| 431 | S | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.4 | -40.9 | 173.6 | -172.8 | 0 | 0 | 0 | 0 | 112.6 | A427 L428 V429 R434 H435 V465 D468 | A427-S431 PolarHBondContact O-N 3.07Å; A427-S431 VanDerWaalsContact O-N 3.08Å; L428-S431 WeakPolarHBondContact O-CB 3.33Å; L428-S431 PolarHBondContact O-N 3.5Å; V429-S431 VanDerWaalsContact C-N 3.34Å; V429-S431 PolarHBondContact O-N 3.19Å; S431-R434 PolarHBondContact O-N 2.53Å; S431-H435 PolarHBondContact O-N 3.27Å; S431-H435 VanDerWaalsContact O-N 3.16Å; S431-H435 PolarHBondContact O-ND1 3.34Å; S431-V465 PolarHBondContact OG-O 3.04Å; S431-D468 WeakPolarHBondContact CB-OD2 3.28Å; S431-D468 PolarHBondContact OG-OD2 3.49Å |
| 432 | I | 97.9 | Very high | 94.8 | Very high | 16 Ų | 16 | 66.6 Ų | 66.6 | 8% | 0.082 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.7 | -50.7 | 173.5 | -65.2 | 171.2 | 0 | 0 | 0 | 110.4 | L428 V429 D430 R434 H435 F436 F441 V465 L643 V647 | L428-I432 WeakPolarHBondContact O-CG1 3.48Å; L428-I432 PolarHBondContact O-N 3.07Å; V429-I432 WeakPolarHBondContact O-CB 3.41Å; V429-I432 PolarHBondContact O-N 3Å; D430-I432 VanDerWaalsContact C-N 3.32Å; D430-I432 PolarHBondContact O-N 3.24Å; I432-R434 VanDerWaalsContact C-N 3.25Å; I432-R434 PolarHBondContact O-N 3.09Å; I432-H435 PolarHBondContact O-N 3.13Å; I432-H435 VanDerWaalsContact O-N 3.15Å; I432-F436 HydrophobicContact CG2-CD2 4.27Å; I432-F436 WeakPolarHBondContact O-CB 3.29Å; I432-F436 PolarHBondContact O-N 3.13Å; I432-F441 HydrophobicContact CG2-CD2 3.71Å; I432-F441 HydrophobicContact CG2-CE2 3.48Å; I432-F441 VanDerWaalsContact CG2-CE2 3.48Å; I432-F441 HydrophobicContact CG2-CZ 4.13Å; I432-V465 HydrophobicContact CG1-CG1 3.74Å; I432-V465 HydrophobicContact CG1-CG2 4.45Å; I432-L643 HydrophobicContact CD1-CB 4.29Å; I432-L643 HydrophobicContact CD1-CD1 4.12Å; I432-L643 HydrophobicContact CD1-CD2 4.45Å; I432-L643 HydrophobicContact CG1-CD1 4.04Å; I432-L643 HydrophobicContact CG1-CD2 4.48Å; I432-V647 HydrophobicContact CD1-CG2 3.98Å |
| 433 | C | 97.9 | Very high | 95.2 | Very high | 89 Ų | 89 | 67 Ų | 67 | 60% | 0.601 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.9 | -34 | -179.6 | -70.3 | 0 | 0 | 0 | 0 | 112.9 | V429 D430 | V429-C433 PolarHBondContact O-N 2.96Å; V429-C433 PolarHBondContact O-SG 2.86Å; V429-C433 VanDerWaalsContact O-SG 3.36Å; D430-C433 PolarHBondContact O-N 3.25Å |
| 434 | R | 97.6 | Very high | 95.6 | Very high | 132 Ų | 132 | 63.6 Ų | 63.6 | 50% | 0.498 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -73.4 | -31 | 177 | -74.3 | -174 | -76.3 | 104.8 | 0 | 113.5 | D430 S431 I432 D468 | D430-R434 PolarHBondContact O-N 2.72Å; D430-R434 IonicContact OD2-CZ 3.2Å; D430-R434 IonicContact OD2-NE 2.63Å; D430-R434 PolarHBondContact OD2-NE 3.23Å; D430-R434 IonicContact OD2-NH2 2.79Å; D430-R434 PolarHBondContact OD2-NH2 2.6Å; D430-R434 VanDerWaalsContact OD2-NH2 3.13Å; S431-R434 PolarHBondContact O-N 2.53Å; I432-R434 VanDerWaalsContact C-N 3.25Å; I432-R434 PolarHBondContact O-N 3.09Å; R434-D468 IonicContact CZ-OD2 2.74Å; R434-D468 IonicContact NH1-OD1 2.65Å; R434-D468 PolarHBondContact NH1-OD1 3.33Å; R434-D468 IonicContact NH1-OD2 3.09Å; R434-D468 PolarHBondContact NH1-OD2 2.97Å; R434-D468 IonicContact NH2-OD1 3.72Å; R434-D468 IonicContact NH2-OD2 3.94Å; R434-D468 PolarHBondContact NH2-OD2 2.98Å |
| 435 | H | 97.7 | Very high | 96 | Very high | 42 Ų | 42 | 61.9 Ų | 61.9 | 19% | 0.194 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -98.1 | -17.3 | -177 | -68.6 | 90 | 0 | 0 | 0 | 114.4 | S431 I432 R461 V465 D468 | S431-H435 PolarHBondContact O-N 3.27Å; S431-H435 VanDerWaalsContact O-N 3.16Å; S431-H435 PolarHBondContact O-ND1 3.34Å; I432-H435 PolarHBondContact O-N 3.13Å; I432-H435 VanDerWaalsContact O-N 3.15Å; H435-R461 PolarHBondContact O-NH1 3.43Å; H435-V465 HydrophobicContact CB-CG2 3.59Å; H435-D468 IonicContact CE1-OD2 2.91Å |
| 436 | F | 97.5 | Very high | 96.2 | Very high | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.035 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -123.8 | 114.7 | 179.3 | -73.9 | -93.5 | 0 | 0 | 0 | 111.4 | I432 G438 E440 F441 V458 R461 V462 V465 L643 | I432-F436 HydrophobicContact CG2-CD2 4.27Å; I432-F436 WeakPolarHBondContact O-CB 3.29Å; I432-F436 PolarHBondContact O-N 3.13Å; F436-G438 PolarHBondContact O-N 3Å; F436-E440 HydrophobicContact CD1-CB 4.39Å; F436-F441 HydrophobicContact CB-CB 4.14Å; F436-F441 HydrophobicContact CB-CD2 4.18Å; F436-F441 HydrophobicContact CD1-CB 4.34Å; F436-F441 HydrophobicContact CD1-CD2 4.07Å; F436-F441 HydrophobicContact CD2-CD2 4.21Å; F436-F441 HydrophobicContact CE1-CD2 4.48Å; F436-F441 HydrophobicContact CG-CB 4.45Å; F436-F441 AromaticContact CG-CD2 3.91Å; F436-F441 HydrophobicContact CG-CD2 3.91Å; F436-V458 HydrophobicContact CE1-CG1 4.26Å; F436-V458 HydrophobicContact CZ-CG1 4.33Å; F436-R461 HydrophobicContact CD2-CB 4.42Å; F436-R461 HydrophobicContact CE1-CB 3.87Å; F436-R461 HydrophobicContact CE1-CG 4.42Å; F436-R461 HydrophobicContact CE2-CB 3.59Å; F436-R461 HydrophobicContact CZ-CB 3.28Å; F436-R461 HydrophobicContact CZ-CG 4.27Å; F436-V462 HydrophobicContact CE2-CG2 4.41Å; F436-V462 HydrophobicContact CZ-CG2 4.05Å; F436-V465 HydrophobicContact CD2-CG2 4.26Å; F436-V465 HydrophobicContact CE2-CG2 4.06Å; F436-L643 HydrophobicContact CE2-CD1 4.35Å |
| 437 | P | 95.9 | Very high | 96.5 | Very high | 63 Ų | 63 | 62 Ų | 62 | 41% | 0.409 | 37% | 0.371 | S | S | . | . | trans | -53.4 | 138.2 | 155.9 | -23.1 | 34.6 | 0 | 0 | 0 | 109.5 | S439 E440 F441 | P437-S439 PolarHBondContact O-N 2.87Å; P437-E440 HydrophobicContact CB-CG 4.32Å; P437-E440 HydrophobicContact CG-CG 4.36Å; P437-E440 WeakPolarHBondContact O-CB 3.25Å; P437-E440 PolarHBondContact O-N 2.78Å; P437-F441 PolarHBondContact O-N 3.34Å | ||
| 438 | G | 93.2 | Very high | 96.6 | Very high | 58 Ų | 58 | 60.5 Ų | 60.5 | 60% | 0.598 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -55 | -34.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | F436 F441 | F436-G438 PolarHBondContact O-N 3Å; G438-F441 PolarHBondContact O-N 3.2Å |
| 439 | S | 95.3 | Very high | 96.6 | Very high | 94 Ų | 94 | 64.2 Ų | 64.2 | 66% | 0.657 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -68.8 | -34.2 | 175.4 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | P437 F441 L442 | P437-S439 PolarHBondContact O-N 2.87Å; S439-F441 VanDerWaalsContact C-N 3.35Å; S439-L442 PolarHBondContact O-N 3.01Å |
| 440 | E | 96 | Very high | 96.6 | Very high | 72 Ų | 72 | 62.4 Ų | 62.4 | 34% | 0.336 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.8 | -32.7 | 177.9 | -69.9 | -170.1 | -144.2 | 0 | 0 | 111.9 | F436 P437 L442 T443 R461 | F436-E440 HydrophobicContact CD1-CB 4.39Å; P437-E440 HydrophobicContact CB-CG 4.32Å; P437-E440 HydrophobicContact CG-CG 4.36Å; P437-E440 WeakPolarHBondContact O-CB 3.25Å; P437-E440 PolarHBondContact O-N 2.78Å; E440-L442 PolarHBondContact O-N 3.06Å; E440-T443 WeakPolarHBondContact O-CB 3.36Å; E440-T443 VanDerWaalsContact O-CG2 3.28Å; E440-T443 WeakPolarHBondContact O-CG2 3.45Å; E440-T443 PolarHBondContact O-N 3.4Å; E440-T443 PolarHBondContact O-OG1 2.92Å; E440-R461 IonicContact OE1-NH2 3Å; E440-R461 PolarHBondContact OE1-NH2 3Å; E440-R461 IonicContact OE2-CZ 2.94Å; E440-R461 IonicContact OE2-NE 3.9Å; E440-R461 PolarHBondContact OE2-NE 3.13Å; E440-R461 IonicContact OE2-NH2 3.87Å; E440-R461 PolarHBondContact OE2-NH2 3.27Å |
| 441 | F | 96.2 | Very high | 96.5 | Very high | 73 Ų | 73 | 64.2 Ų | 64.2 | 32% | 0.32 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.3 | -25.4 | 176.2 | -164.6 | -103.4 | 0 | 0 | 0 | 112.7 | I432 F436 P437 G438 S439 L640 L643 | I432-F441 HydrophobicContact CG2-CD2 3.71Å; I432-F441 HydrophobicContact CG2-CE2 3.48Å; I432-F441 VanDerWaalsContact CG2-CE2 3.48Å; I432-F441 HydrophobicContact CG2-CZ 4.13Å; F436-F441 HydrophobicContact CB-CB 4.14Å; F436-F441 HydrophobicContact CB-CD2 4.18Å; F436-F441 HydrophobicContact CD1-CB 4.34Å; F436-F441 HydrophobicContact CD1-CD2 4.07Å; F436-F441 HydrophobicContact CD2-CD2 4.21Å; F436-F441 HydrophobicContact CE1-CD2 4.48Å; F436-F441 HydrophobicContact CG-CB 4.45Å; F436-F441 AromaticContact CG-CD2 3.91Å; F436-F441 HydrophobicContact CG-CD2 3.91Å; P437-F441 PolarHBondContact O-N 3.34Å; G438-F441 PolarHBondContact O-N 3.2Å; S439-F441 VanDerWaalsContact C-N 3.35Å; F441-L640 HydrophobicContact CD2-CD2 4.18Å; F441-L640 HydrophobicContact CE2-CD2 3.95Å; F441-L643 HydrophobicContact CE2-CD1 4.1Å |
| 442 | L | 96.6 | Very high | 96.4 | Very high | 148 Ų | 148 | 68.5 Ų | 68.5 | 78% | 0.775 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 13.8 | -179.6 | -60.2 | 179.5 | 0 | 0 | 0 | 113.8 | S439 E440 G444 | S439-L442 PolarHBondContact O-N 3.01Å; E440-L442 PolarHBondContact O-N 3.06Å; L442-G444 VanDerWaalsContact C-N 3.33Å; L442-G444 PolarHBondContact O-N 2.88Å |
| 443 | T | 95.9 | Very high | 96.3 | Very high | 88 Ų | 88 | 70 Ų | 70 | 54% | 0.54 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -80.1 | -9.5 | -177.8 | 56.3 | 0 | 0 | 0 | 0 | 114.6 | E440 G445 | E440-T443 WeakPolarHBondContact O-CB 3.36Å; E440-T443 VanDerWaalsContact O-CG2 3.28Å; E440-T443 WeakPolarHBondContact O-CG2 3.45Å; E440-T443 PolarHBondContact O-N 3.4Å; E440-T443 PolarHBondContact O-OG1 2.92Å; T443-G445 PolarHBondContact O-N 3.38Å |
| 444 | G | 93.8 | Very high | 96.2 | Very high | 47 Ų | 47 | 68.3 Ų | 68.3 | 49% | 0.485 | 42% | 0.423 | S | S | . | . | trans | 79.3 | -8.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L442 A637 | L442-G444 VanDerWaalsContact C-N 3.33Å; L442-G444 PolarHBondContact O-N 2.88Å; G444-A637 WeakPolarHBondContact O-CB 3.41Å | ||
| 445 | G | 97 | Very high | 96.2 | Very high | 16 Ų | 16 | 62.5 Ų | 62.5 | 17% | 0.165 | 40% | 0.402 | C | S | . | . | trans | 94.1 | 129.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | T443 | T443-G445 PolarHBondContact O-N 3.38Š| ||
| 446 | D | 98.1 | Very high | 96.3 | Very high | 27 Ų | 27 | 60.5 Ų | 60.5 | 14% | 0.144 | 39% | 0.392 | C | S | . | . | trans | -82.2 | 171 | 177.1 | 64.9 | -35 | 0 | 0 | 0 | 113.2 | P456 R457 V458 G636 | D446-P456 WeakPolarHBondContact O-CB 3.44Å; D446-P456 WeakPolarHBondContact OD1-CB 3.36Å; D446-R457 PolarHBondContact OD1-N 2.93Å; D446-R457 VanDerWaalsContact OD1-N 3.14Å; D446-R457 WeakPolarHBondContact OD2-CB 3.47Å; D446-R457 IonicContact OD2-CZ 2.96Å; D446-R457 PolarHBondContact OD2-N 3.31Å; D446-R457 IonicContact OD2-NE 3.29Å; D446-R457 PolarHBondContact OD2-NE 2.98Å; D446-R457 IonicContact OD2-NH2 2.79Å; D446-R457 PolarHBondContact OD2-NH2 2.81Å; D446-V458 WeakPolarHBondContact OD1-CB 3.18Å; D446-V458 WeakPolarHBondContact OD1-CG2 3.38Å; D446-V458 PolarHBondContact OD1-N 3.48Å; D446-G636 WeakPolarHBondContact O-CA 3.32Å; D446-G636 PolarHBondContact O-N 3.08Å | ||
| 447 | L | 98.2 | Very high | 96.3 | Very high | 129 Ų | 129 | 66.6 Ų | 66.6 | 68% | 0.675 | 42% | 0.415 | S | S | * | . | trans | -124.1 | 151.7 | -171.9 | -60.7 | 176.7 | 0 | 0 | 0 | 112.4 | Q635 | L447-Q635 HydrophobicContact CD2-CB 3.93Å; L447-Q635 HydrophobicContact CD2-CG 4.14Å | ||
| 448 | G | 95.3 | Very high | 96.4 | Very high | 27 Ų | 27 | 64.1 Ų | 64.1 | 28% | 0.278 | 40% | 0.399 | S | S | . | . | S | Bend | trans | 84.5 | -165.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | T450 Q455 P456 | G448-T450 PolarHBondContact O-N 3.03Å; G448-Q455 CarbonylContact O-C 3.57Å; G448-Q455 VanDerWaalsContact O-C 3.26Å; G448-P456 VanDerWaalsContact O-CD 3.32Å; G448-P456 WeakPolarHBondContact O-CD 3.42Å |
| 449 | L | 97.1 | Very high | 96.7 | Very high | 80 Ų | 80 | 61.5 Ų | 61.5 | 42% | 0.419 | 37% | 0.371 | S | S | . | . | trans | -91.1 | 80.4 | -175.8 | -58.3 | -177.8 | 0 | 0 | 0 | 110.1 | Q633 | L449-Q633 HydrophobicContact CD2-CG 3.48Å; L449-Q633 VanDerWaalsContact CD2-CG 3.48Å | ||
| 450 | T | 97.1 | Very high | 96.8 | Very high | 16 Ų | 16 | 60 Ų | 60 | 10% | 0.098 | 35% | 0.354 | C | S | . | . | trans | -63.3 | 134.9 | -178.7 | -41.5 | 0 | 0 | 0 | 0 | 110.8 | G448 G452 L453 N454 Q455 R457 | G448-T450 PolarHBondContact O-N 3.03Å; T450-G452 PolarHBondContact O-N 3.47Å; T450-L453 PolarHBondContact O-N 2.8Å; T450-L453 VanDerWaalsContact O-N 3.15Å; T450-N454 PolarHBondContact O-N 3.19Å; T450-Q455 VanDerWaalsContact CB-O 3.27Å; T450-Q455 WeakPolarHBondContact CB-O 3.5Å; T450-Q455 PolarHBondContact N-O 3.26Å; T450-Q455 PolarHBondContact OG1-O 2.83Å; T450-R457 HydrophobicContact CG2-CG 4.05Å; T450-R457 VanDerWaalsContact CG2-NH1 3.27Å | ||
| 451 | P | 95.1 | Very high | 96.9 | Very high | 124 Ų | 124 | 60 Ų | 60 | 81% | 0.805 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 135.4 | -178.2 | -27.3 | 34.6 | 0 | 0 | 0 | 112.7 | L453 | P451-L453 PolarHBondContact O-N 3.31Š|
| 452 | G | 94.7 | Very high | 97.1 | Very high | 89 Ų | 89 | 56.5 Ų | 56.5 | 92% | 0.918 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | -19.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | T450 | T450-G452 PolarHBondContact O-N 3.47Š|
| 453 | L | 95.6 | Very high | 97.2 | Very high | 48 Ų | 48 | 50 Ų | 50 | 25% | 0.251 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -31.4 | -179.1 | -59.5 | -177.5 | 0 | 0 | 0 | 113.4 | T450 P451 Q455 R457 R624 | T450-L453 PolarHBondContact O-N 2.8Å; T450-L453 VanDerWaalsContact O-N 3.15Å; P451-L453 PolarHBondContact O-N 3.31Å; L453-Q455 HydrophobicContact CB-CG 3.96Å; L453-Q455 PolarHBondContact O-N 3.36Å; L453-R457 HydrophobicContact CD1-CB 4.41Å; L453-R457 HydrophobicContact CD1-CG 3.71Å; L453-R624 PolarHBondContact O-NH2 2.82Å |
| 454 | N | 97 | Very high | 97.3 | Very high | 54 Ų | 54 | 49.5 Ų | 49.5 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 55.3 | 33.3 | -170.4 | -154.9 | 48.9 | 0 | 0 | 0 | 113.3 | T450 R624 L627 Y628 Q633 | T450-N454 PolarHBondContact O-N 3.19Å; N454-R624 PolarHBondContact O-NH2 3.1Å; N454-R624 VanDerWaalsContact O-NH2 3.13Å; N454-L627 PolarHBondContact ND2-O 3.05Å; N454-L627 VanDerWaalsContact ND2-O 3.15Å; N454-Y628 PolarHBondContact ND2-O 3.35Å; N454-Q633 PolarHBondContact O-OE1 3.47Å; N454-Q633 VanDerWaalsContact O-OE1 3.05Å |
| 455 | Q | 98.1 | Very high | 97.5 | Very high | 9 Ų | 9 | 47.2 Ų | 47.2 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -163.5 | 165.9 | 175.5 | 62.1 | -173.6 | 103.8 | 0 | 0 | 108.7 | G448 T450 L453 Q460 E463 | G448-Q455 CarbonylContact O-C 3.57Å; G448-Q455 VanDerWaalsContact O-C 3.26Å; T450-Q455 VanDerWaalsContact CB-O 3.27Å; T450-Q455 WeakPolarHBondContact CB-O 3.5Å; T450-Q455 PolarHBondContact N-O 3.26Å; T450-Q455 PolarHBondContact OG1-O 2.83Å; L453-Q455 HydrophobicContact CB-CG 3.96Å; L453-Q455 PolarHBondContact O-N 3.36Å; Q455-Q460 HydrophobicContact CG-CB 4.47Å; Q455-E463 PolarHBondContact NE2-OE2 3.49Å |
| 456 | P | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -61 | 145.3 | 170.5 | -20.5 | 31.7 | 0 | 0 | 0 | 112.1 | D446 G448 V458 T459 Q460 | D446-P456 WeakPolarHBondContact O-CB 3.44Å; D446-P456 WeakPolarHBondContact OD1-CB 3.36Å; G448-P456 VanDerWaalsContact O-CD 3.32Å; G448-P456 WeakPolarHBondContact O-CD 3.42Å; P456-V458 VanDerWaalsContact C-N 3.32Å; P456-V458 PolarHBondContact O-N 3.46Å; P456-T459 WeakPolarHBondContact O-CB 3.44Å; P456-T459 PolarHBondContact O-N 3.07Å; P456-Q460 PolarHBondContact O-N 3.47Å; P456-Q460 VanDerWaalsContact O-N 3.15Å | ||
| 457 | R | 98.1 | Very high | 97.6 | Very high | 137 Ų | 137 | 45.5 Ų | 45.5 | 52% | 0.517 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 178 | -70.2 | 171 | -66.2 | -106.6 | -11.7 | 111.7 | D446 T450 L453 T459 Q460 R461 | D446-R457 PolarHBondContact OD1-N 2.93Å; D446-R457 VanDerWaalsContact OD1-N 3.14Å; D446-R457 WeakPolarHBondContact OD2-CB 3.47Å; D446-R457 IonicContact OD2-CZ 2.96Å; D446-R457 PolarHBondContact OD2-N 3.31Å; D446-R457 IonicContact OD2-NE 3.29Å; D446-R457 PolarHBondContact OD2-NE 2.98Å; D446-R457 IonicContact OD2-NH2 2.79Å; D446-R457 PolarHBondContact OD2-NH2 2.81Å; T450-R457 HydrophobicContact CG2-CG 4.05Å; T450-R457 VanDerWaalsContact CG2-NH1 3.27Å; L453-R457 HydrophobicContact CD1-CB 4.41Å; L453-R457 HydrophobicContact CD1-CG 3.71Å; R457-T459 VanDerWaalsContact C-N 3.3Å; R457-T459 PolarHBondContact O-N 3.32Å; R457-Q460 PolarHBondContact O-N 3.32Å; R457-R461 PolarHBondContact O-N 3.09Å |
| 458 | V | 98.3 | Very high | 97.6 | Very high | 11 Ų | 11 | 42.1 Ų | 42.1 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.2 | -39.8 | 178.1 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | F436 D446 P456 Q460 R461 V462 L640 | F436-V458 HydrophobicContact CE1-CG1 4.26Å; F436-V458 HydrophobicContact CZ-CG1 4.33Å; D446-V458 WeakPolarHBondContact OD1-CB 3.18Å; D446-V458 WeakPolarHBondContact OD1-CG2 3.38Å; D446-V458 PolarHBondContact OD1-N 3.48Å; P456-V458 VanDerWaalsContact C-N 3.32Å; P456-V458 PolarHBondContact O-N 3.46Å; V458-Q460 PolarHBondContact O-N 3.28Å; V458-R461 PolarHBondContact O-N 3.02Å; V458-V462 HydrophobicContact CG1-CG2 4.44Å; V458-V462 WeakPolarHBondContact O-CG2 3.33Å; V458-V462 PolarHBondContact O-N 3.01Å; V458-L640 HydrophobicContact CG1-CD1 4.06Å; V458-L640 HydrophobicContact CG1-CD2 3.8Å; V458-L640 HydrophobicContact CG1-CG 3.66Å |
| 459 | T | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60 | -44.1 | 174.8 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | P456 R457 R461 V462 E463 L477 I634 G636 A639 | P456-T459 WeakPolarHBondContact O-CB 3.44Å; P456-T459 PolarHBondContact O-N 3.07Å; R457-T459 VanDerWaalsContact C-N 3.3Å; R457-T459 PolarHBondContact O-N 3.32Å; T459-R461 PolarHBondContact O-N 3.25Å; T459-V462 PolarHBondContact O-N 3.35Å; T459-E463 WeakPolarHBondContact O-CG 3.25Å; T459-E463 PolarHBondContact O-N 2.74Å; T459-L477 HydrophobicContact CG2-CD1 4.34Å; T459-I634 HydrophobicContact CG2-CB 4.28Å; T459-I634 WeakPolarHBondContact CG2-O 3.36Å; T459-I634 PolarHBondContact OG1-O 3.46Å; T459-G636 PolarHBondContact OG1-N 3.47Å; T459-A639 HydrophobicContact CG2-CB 4.21Å |
| 460 | Q | 98.5 | Very high | 97.6 | Very high | 62 Ų | 62 | 38.3 Ų | 38.3 | 29% | 0.29 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.3 | -45.1 | 176 | -174.5 | -168 | 31.5 | 0 | 0 | 111.9 | Q455 P456 R457 V458 V462 E463 Q464 | Q455-Q460 HydrophobicContact CG-CB 4.47Å; P456-Q460 PolarHBondContact O-N 3.47Å; P456-Q460 VanDerWaalsContact O-N 3.15Å; R457-Q460 PolarHBondContact O-N 3.32Å; V458-Q460 PolarHBondContact O-N 3.28Å; Q460-V462 VanDerWaalsContact C-N 3.32Å; Q460-V462 PolarHBondContact O-N 3.44Å; Q460-E463 WeakPolarHBondContact O-CB 3.27Å; Q460-E463 PolarHBondContact O-N 2.95Å; Q460-Q464 WeakPolarHBondContact O-CG 3.21Å; Q460-Q464 PolarHBondContact O-N 2.89Å |
| 461 | R | 98.3 | Very high | 97.7 | Very high | 73 Ų | 73 | 44.5 Ų | 44.5 | 28% | 0.275 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 177.1 | -70.9 | -173.4 | -178.2 | -75.6 | 3.1 | 111.8 | H435 F436 E440 R457 V458 T459 Q464 V465 | H435-R461 PolarHBondContact O-NH1 3.43Å; F436-R461 HydrophobicContact CD2-CB 4.42Å; F436-R461 HydrophobicContact CE1-CB 3.87Å; F436-R461 HydrophobicContact CE1-CG 4.42Å; F436-R461 HydrophobicContact CE2-CB 3.59Å; F436-R461 HydrophobicContact CZ-CB 3.28Å; F436-R461 HydrophobicContact CZ-CG 4.27Å; E440-R461 IonicContact OE1-NH2 3Å; E440-R461 PolarHBondContact OE1-NH2 3Å; E440-R461 IonicContact OE2-CZ 2.94Å; E440-R461 IonicContact OE2-NE 3.9Å; E440-R461 PolarHBondContact OE2-NE 3.13Å; E440-R461 IonicContact OE2-NH2 3.87Å; E440-R461 PolarHBondContact OE2-NH2 3.27Å; R457-R461 PolarHBondContact O-N 3.09Å; V458-R461 PolarHBondContact O-N 3.02Å; T459-R461 PolarHBondContact O-N 3.25Å; R461-Q464 WeakPolarHBondContact O-CB 3.43Å; R461-Q464 PolarHBondContact O-N 3.06Å; R461-V465 WeakPolarHBondContact O-CG2 3.24Å; R461-V465 PolarHBondContact O-N 3.16Å |
| 462 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 174.1 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | F436 V458 T459 Q460 Q464 V465 L466 L477 A639 L640 L643 | F436-V462 HydrophobicContact CE2-CG2 4.41Å; F436-V462 HydrophobicContact CZ-CG2 4.05Å; V458-V462 HydrophobicContact CG1-CG2 4.44Å; V458-V462 WeakPolarHBondContact O-CG2 3.33Å; V458-V462 PolarHBondContact O-N 3.01Å; T459-V462 PolarHBondContact O-N 3.35Å; Q460-V462 VanDerWaalsContact C-N 3.32Å; Q460-V462 PolarHBondContact O-N 3.44Å; V462-Q464 VanDerWaalsContact C-N 3.29Å; V462-Q464 PolarHBondContact O-N 2.94Å; V462-V465 WeakPolarHBondContact O-CB 3.42Å; V462-V465 PolarHBondContact O-N 2.67Å; V462-L466 HydrophobicContact CG1-CD1 4.36Å; V462-L466 HydrophobicContact CG1-CG 4.38Å; V462-L466 WeakPolarHBondContact O-CG 3.13Å; V462-L466 PolarHBondContact O-N 3.31Å; V462-L477 HydrophobicContact CG1-CD1 4.01Å; V462-A639 HydrophobicContact CB-CB 3.95Å; V462-A639 HydrophobicContact CG1-CB 4.16Å; V462-A639 HydrophobicContact CG2-CB 3.81Å; V462-L640 HydrophobicContact CG2-CD2 4.48Å; V462-L643 HydrophobicContact CB-CD1 4.33Å; V462-L643 HydrophobicContact CB-CG 4.41Å; V462-L643 HydrophobicContact CG1-CD1 4.24Å; V462-L643 HydrophobicContact CG1-CD2 3.97Å; V462-L643 HydrophobicContact CG1-CG 3.78Å; V462-L643 HydrophobicContact CG2-CD1 3.61Å; V462-L643 HydrophobicContact CG2-CG 3.98Å |
| 463 | E | 98.8 | Very high | 98 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 5% | 0.051 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.1 | -38.7 | 175.5 | -73.2 | 168.2 | 165.9 | 0 | 0 | 112.1 | Q455 T459 Q460 L466 A467 A475 A476 L477 | Q455-E463 PolarHBondContact NE2-OE2 3.49Å; T459-E463 WeakPolarHBondContact O-CG 3.25Å; T459-E463 PolarHBondContact O-N 2.74Å; Q460-E463 WeakPolarHBondContact O-CB 3.27Å; Q460-E463 PolarHBondContact O-N 2.95Å; E463-L466 PolarHBondContact O-N 2.91Å; E463-A467 PolarHBondContact O-N 2.94Å; E463-A475 HydrophobicContact CB-CB 4.34Å; E463-A475 WeakPolarHBondContact O-CB 3.49Å; E463-A476 WeakPolarHBondContact OE1-CA 3.34Å; E463-L477 HydrophobicContact CG-CB 4.49Å; E463-L477 HydrophobicContact CG-CG 4.09Å; E463-L477 PolarHBondContact OE1-N 2.84Å |
| 464 | Q | 98.7 | Very high | 98.1 | Very high | 77 Ų | 77 | 40.4 Ų | 40.4 | 36% | 0.36 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63 | -43.5 | 173.4 | -69.1 | 168.5 | -14.6 | 0 | 0 | 112.2 | Q460 R461 V462 L466 A467 D468 | Q460-Q464 WeakPolarHBondContact O-CG 3.21Å; Q460-Q464 PolarHBondContact O-N 2.89Å; R461-Q464 WeakPolarHBondContact O-CB 3.43Å; R461-Q464 PolarHBondContact O-N 3.06Å; V462-Q464 VanDerWaalsContact C-N 3.29Å; V462-Q464 PolarHBondContact O-N 2.94Å; Q464-L466 VanDerWaalsContact C-N 3.33Å; Q464-L466 PolarHBondContact O-N 3.48Å; Q464-A467 PolarHBondContact O-N 3.31Å; Q464-D468 WeakPolarHBondContact O-CB 3.46Å; Q464-D468 PolarHBondContact O-N 3.35Å |
| 465 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 174.1 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | L428 S431 I432 H435 F436 R461 V462 D468 A469 L643 | L428-V465 HydrophobicContact CD1-CG1 3.83Å; S431-V465 PolarHBondContact OG-O 3.04Å; I432-V465 HydrophobicContact CG1-CG1 3.74Å; I432-V465 HydrophobicContact CG1-CG2 4.45Å; H435-V465 HydrophobicContact CB-CG2 3.59Å; F436-V465 HydrophobicContact CD2-CG2 4.26Å; F436-V465 HydrophobicContact CE2-CG2 4.06Å; R461-V465 WeakPolarHBondContact O-CG2 3.24Å; R461-V465 PolarHBondContact O-N 3.16Å; V462-V465 WeakPolarHBondContact O-CB 3.42Å; V462-V465 PolarHBondContact O-N 2.67Å; V465-D468 PolarHBondContact O-N 3.31Å; V465-A469 WeakPolarHBondContact O-CB 3.49Å; V465-A469 PolarHBondContact O-N 3.23Å; V465-L643 HydrophobicContact CB-CD2 4.31Å; V465-L643 HydrophobicContact CG1-CD2 3.72Å |
| 466 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.7 | -44.1 | 178.4 | -66.7 | 179.5 | 0 | 0 | 0 | 111.8 | V462 E463 Q464 F470 A475 L477 A612 V642 L643 L646 | V462-L466 HydrophobicContact CG1-CD1 4.36Å; V462-L466 HydrophobicContact CG1-CG 4.38Å; V462-L466 WeakPolarHBondContact O-CG 3.13Å; V462-L466 PolarHBondContact O-N 3.31Å; E463-L466 PolarHBondContact O-N 2.91Å; Q464-L466 VanDerWaalsContact C-N 3.33Å; Q464-L466 PolarHBondContact O-N 3.48Å; L466-F470 HydrophobicContact CD2-CE2 4.34Å; L466-F470 VanDerWaalsContact O-CD2 3.25Å; L466-F470 WeakPolarHBondContact O-CD2 3.43Å; L466-F470 PolarHBondContact O-N 3.11Å; L466-F470 VanDerWaalsContact O-N 3.15Å; L466-A475 HydrophobicContact CB-CB 4Å; L466-L477 HydrophobicContact CD1-CD2 3.74Å; L466-L477 HydrophobicContact CD1-CG 4.25Å; L466-A612 HydrophobicContact CD1-CB 4.44Å; L466-V642 HydrophobicContact CD1-CG1 4.47Å; L466-L643 HydrophobicContact CD2-CD2 4.3Å; L466-L646 HydrophobicContact CD2-CD2 3.53Å |
| 467 | A | 98.6 | Very high | 98.3 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 5% | 0.05 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.3 | -49.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | E463 Q464 F470 H471 A472 A475 | E463-A467 PolarHBondContact O-N 2.94Å; Q464-A467 PolarHBondContact O-N 3.31Å; A467-F470 CarbonylContact O-C 3.5Å; A467-F470 PolarHBondContact O-N 3.21Å; A467-H471 PolarHBondContact O-N 3.16Å; A467-H471 VanDerWaalsContact O-N 3.16Å; A467-A472 PolarHBondContact O-N 3.47Å; A467-A475 HydrophobicContact CB-CB 4.29Å |
| 468 | D | 98.1 | Very high | 98.3 | Very high | 58 Ų | 58 | 31.5 Ų | 31.5 | 31% | 0.31 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -65.5 | -44.9 | -179.5 | 178.3 | 61.4 | 0 | 0 | 0 | 112.5 | S431 R434 H435 Q464 V465 F470 H471 | S431-D468 WeakPolarHBondContact CB-OD2 3.28Å; S431-D468 PolarHBondContact OG-OD2 3.49Å; R434-D468 IonicContact CZ-OD2 2.74Å; R434-D468 IonicContact NH1-OD1 2.65Å; R434-D468 PolarHBondContact NH1-OD1 3.33Å; R434-D468 IonicContact NH1-OD2 3.09Å; R434-D468 PolarHBondContact NH1-OD2 2.97Å; R434-D468 IonicContact NH2-OD1 3.72Å; R434-D468 IonicContact NH2-OD2 3.94Å; R434-D468 PolarHBondContact NH2-OD2 2.98Å; H435-D468 IonicContact CE1-OD2 2.91Å; Q464-D468 WeakPolarHBondContact O-CB 3.46Å; Q464-D468 PolarHBondContact O-N 3.35Å; V465-D468 PolarHBondContact O-N 3.31Å; D468-F470 VanDerWaalsContact C-N 3.26Å; D468-F470 PolarHBondContact O-N 2.99Å; D468-H471 PolarHBondContact O-N 2.87Å |
| 469 | A | 95.6 | Very high | 98.3 | Very high | 24 Ų | 24 | 34.6 Ų | 34.6 | 20% | 0.198 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.4 | -26.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | L428 V465 | L428-A469 HydrophobicContact CD1-CB 3.61Å; V465-A469 WeakPolarHBondContact O-CB 3.49Å; V465-A469 PolarHBondContact O-N 3.23Å |
| 470 | F | 97.1 | Very high | 98.3 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 1% | 0.013 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 23.7 | 176.6 | -65.1 | -65 | 0 | 0 | 0 | 113 | L466 A467 D468 A472 V582 M583 I588 E591 F599 V614 L646 | L466-F470 HydrophobicContact CD2-CE2 4.34Å; L466-F470 VanDerWaalsContact O-CD2 3.25Å; L466-F470 WeakPolarHBondContact O-CD2 3.43Å; L466-F470 PolarHBondContact O-N 3.11Å; L466-F470 VanDerWaalsContact O-N 3.15Å; A467-F470 CarbonylContact O-C 3.5Å; A467-F470 PolarHBondContact O-N 3.21Å; D468-F470 VanDerWaalsContact C-N 3.26Å; D468-F470 PolarHBondContact O-N 2.99Å; F470-A472 PolarHBondContact O-N 3.29Å; F470-A472 VanDerWaalsContact O-N 3.1Å; F470-V582 HydrophobicContact CE1-CG1 3.97Å; F470-V582 HydrophobicContact CZ-CG1 3.59Å; F470-M583 HydrophobicContact CE1-CE 4.08Å; F470-M583 HydrophobicContact CZ-CE 3.73Å; F470-I588 HydrophobicContact CB-CD1 4.19Å; F470-I588 HydrophobicContact CD1-CD1 3.59Å; F470-I588 HydrophobicContact CD1-CG1 4.11Å; F470-I588 HydrophobicContact CD2-CD1 4.42Å; F470-I588 HydrophobicContact CE1-CD1 3.99Å; F470-I588 HydrophobicContact CG-CD1 3.84Å; F470-E591 HydrophobicContact CB-CG 4.48Å; F470-E591 WeakPolarHBondContact O-CG 3.46Å; F470-F599 HydrophobicContact CD2-CZ 4.49Å; F470-F599 HydrophobicContact CE2-CE1 4.41Å; F470-F599 AromaticContact CE2-CZ 3.86Å; F470-F599 HydrophobicContact CE2-CZ 3.86Å; F470-F599 HydrophobicContact CZ-CZ 4.39Å; F470-V614 HydrophobicContact CB-CG1 4.05Å; F470-V614 HydrophobicContact CD2-CG1 4.46Å; F470-L646 HydrophobicContact CE2-CD2 3.9Å; F470-L646 HydrophobicContact CZ-CD2 4.02Å |
| 471 | H | 97.7 | Very high | 98.2 | Very high | 146 Ų | 146 | 34.3 Ų | 34.3 | 68% | 0.676 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 36.1 | 172.6 | -49.2 | 93.4 | 0 | 0 | 0 | 113.9 | A467 D468 E591 | A467-H471 PolarHBondContact O-N 3.16Å; A467-H471 VanDerWaalsContact O-N 3.16Å; D468-H471 PolarHBondContact O-N 2.87Å; H471-E591 HydrophobicContact CB-CG 4.42Å; H471-E591 IonicContact CE1-OE1 2.67Å; H471-E591 PolarHBondContact CE1-OE1 3.16Å; H471-E591 IonicContact ND1-OE1 3.83Å; H471-E591 PolarHBondContact ND1-OE1 3.3Å |
| 472 | A | 98.2 | Very high | 98.2 | Very high | 22 Ų | 22 | 31 Ų | 31 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | trans | -113.6 | 164.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A467 F470 V614 | A467-A472 PolarHBondContact O-N 3.47Å; F470-A472 PolarHBondContact O-N 3.29Å; F470-A472 VanDerWaalsContact O-N 3.1Å; A472-V614 HydrophobicContact CB-CG1 3.55Å | ||
| 473 | Q | 98.5 | Very high | 98.2 | Very high | 135 Ų | 135 | 32.9 Ų | 32.9 | 63% | 0.631 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -77.7 | -36.4 | -179 | -61.1 | 179.5 | -7.1 | 0 | 0 | 112.4 | G615 A617 | Q473-G615 PolarHBondContact N-O 3.24Å; Q473-A617 HydrophobicContact CB-CB 3.94Å |
| 474 | A | 98.7 | Very high | 98.1 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 16% | 0.157 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 168 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | G615 A617 I620 | A474-G615 PolarHBondContact N-O 3.46Å; A474-G615 PolarHBondContact O-N 2.96Å; A474-A617 HydrophobicContact CB-CB 4.28Å; A474-I620 HydrophobicContact CB-CB 3.8Å; A474-I620 HydrophobicContact CB-CG1 3.87Å; A474-I620 HydrophobicContact CB-CG2 3.81Å |
| 475 | A | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 28.9 Ų | 28.9 | 6% | 0.058 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 158.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E463 L466 A467 V613 V614 I620 | E463-A475 HydrophobicContact CB-CB 4.34Å; E463-A475 WeakPolarHBondContact O-CB 3.49Å; L466-A475 HydrophobicContact CB-CB 4Å; A467-A475 HydrophobicContact CB-CB 4.29Å; A475-V613 CarbonylContact C-O 3.53Å; A475-V613 WeakPolarHBondContact CA-O 3.43Å; A475-V614 HydrophobicContact CB-CB 4.36Å; A475-V614 HydrophobicContact CB-CG1 4.25Å; A475-V614 HydrophobicContact CB-CG2 3.91Å; A475-I620 WeakPolarHBondContact O-CG2 3.41Å |
| 476 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 131.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.5 | E463 V478 V613 I620 I623 R624 | E463-A476 WeakPolarHBondContact OE1-CA 3.34Å; A476-V478 HydrophobicContact CB-CG1 4.49Å; A476-V613 PolarHBondContact N-O 3.4Å; A476-V613 PolarHBondContact O-N 2.89Å; A476-I620 HydrophobicContact CB-CG2 4Å; A476-I623 HydrophobicContact CB-CG2 4.31Å; A476-R624 HydrophobicContact CB-CG 4.35Å |
| 477 | L | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 133.2 | 168 | -68.7 | 179.3 | 0 | 0 | 0 | 109.6 | T459 V462 E463 L466 V610 G611 A612 I634 A639 V642 | T459-L477 HydrophobicContact CG2-CD1 4.34Å; V462-L477 HydrophobicContact CG1-CD1 4.01Å; E463-L477 HydrophobicContact CG-CB 4.49Å; E463-L477 HydrophobicContact CG-CG 4.09Å; E463-L477 PolarHBondContact OE1-N 2.84Å; L466-L477 HydrophobicContact CD1-CD2 3.74Å; L466-L477 HydrophobicContact CD1-CG 4.25Å; L477-V610 HydrophobicContact CB-CG1 4.43Å; L477-V610 HydrophobicContact CD2-CG1 4.05Å; L477-G611 WeakPolarHBondContact CA-O 3.35Å; L477-A612 HydrophobicContact CD2-CB 3.88Å; L477-I634 HydrophobicContact CB-CB 4.03Å; L477-I634 HydrophobicContact CB-CG1 3.72Å; L477-I634 HydrophobicContact CB-CG2 4.38Å; L477-I634 HydrophobicContact CD1-CG2 4.2Å; L477-A639 HydrophobicContact CD1-CB 3.89Å; L477-V642 HydrophobicContact CD1-CG2 4.3Å; L477-V642 HydrophobicContact CD2-CG1 4.43Å; L477-V642 HydrophobicContact CD2-CG2 4.37Å |
| 478 | V | 98.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.024 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 154.9 | -172.5 | -58.1 | 0 | 0 | 0 | 0 | 112.4 | A476 A485 A488 G611 I623 L627 | A476-V478 HydrophobicContact CB-CG1 4.49Å; V478-A485 HydrophobicContact CG2-CB 4.07Å; V478-A488 HydrophobicContact CG1-CB 4.45Å; V478-G611 PolarHBondContact N-O 2.86Å; V478-G611 PolarHBondContact O-N 3.45Å; V478-I623 HydrophobicContact CG1-CG2 4.18Å; V478-L627 HydrophobicContact CG1-CD1 4.21Å |
| 479 | Q | 98.4 | Very high | 98.2 | Very high | 75 Ų | 75 | 31.9 Ų | 31.9 | 35% | 0.35 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 155.1 | 173.4 | -63 | -69.9 | 4.4 | 0 | 0 | 112 | G484 G609 G631 Q633 I634 | Q479-G484 WeakPolarHBondContact O-CA 3.24Å; Q479-G609 CarbonylContact C-O 3.56Å; Q479-G631 WeakPolarHBondContact CG-O 3.43Å; Q479-G631 PolarHBondContact NE2-O 3.48Å; Q479-G631 VanDerWaalsContact NE2-O 3.16Å; Q479-Q633 PolarHBondContact NE2-O 3.02Å; Q479-I634 HydrophobicContact CG-CD1 4.06Å |
| 480 | G | 97.5 | Very high | 98.3 | Very high | 37 Ų | 37 | 30.8 Ų | 30.8 | 38% | 0.381 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 87.8 | 17.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T483 G484 G609 | G480-T483 PolarHBondContact O-N 3.34Å; G480-G484 PolarHBondContact O-N 3.03Å; G480-G609 PolarHBondContact N-O 2.87Å |
| 481 | A | 97.4 | Very high | 98.4 | Very high | 22 Ų | 22 | 33.5 Ų | 33.5 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | 55.4 | -145.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | T483 G484 A485 G609 G611 | A481-T483 VanDerWaalsContact C-N 3.3Å; A481-T483 PolarHBondContact O-N 2.94Å; A481-G484 PolarHBondContact O-N 3.03Å; A481-G484 VanDerWaalsContact O-N 3.14Å; A481-A485 PolarHBondContact O-N 3.37Å; A481-G609 PolarHBondContact N-O 2.93Å; A481-G611 WeakPolarHBondContact O-CA 3.48Å |
| 482 | G | 97 | Very high | 98.4 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 4% | 0.041 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.1 | -37.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G484 A485 I486 | G482-G484 VanDerWaalsContact C-N 3.33Å; G482-G484 PolarHBondContact O-N 2.96Å; G482-A485 PolarHBondContact O-N 2.98Å; G482-I486 WeakPolarHBondContact O-CG1 3.49Å; G482-I486 PolarHBondContact O-N 3.43Å |
| 483 | T | 98.3 | Very high | 98.4 | Very high | 38 Ų | 38 | 27.6 Ų | 27.6 | 23% | 0.233 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 175.4 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | G480 A481 R487 T510 I514 | G480-T483 PolarHBondContact O-N 3.34Å; A481-T483 VanDerWaalsContact C-N 3.3Å; A481-T483 PolarHBondContact O-N 2.94Å; T483-R487 WeakPolarHBondContact O-CB 3.01Å; T483-R487 PolarHBondContact O-N 2.98Å; T483-T510 HydrophobicContact CG2-CG2 4.42Å; T483-T510 WeakPolarHBondContact OG1-CB 3.12Å; T483-T510 PolarHBondContact OG1-OG1 3.21Å; T483-I514 HydrophobicContact CG2-CD1 3.82Å; T483-I514 WeakPolarHBondContact O-CD1 3.45Å |
| 484 | G | 98.4 | Very high | 98.3 | Very high | 4 Ų | 4 | 21.5 Ų | 21.5 | 4% | 0.041 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.6 | -42.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q479 G480 A481 G482 R487 A488 | Q479-G484 WeakPolarHBondContact O-CA 3.24Å; G480-G484 PolarHBondContact O-N 3.03Å; A481-G484 PolarHBondContact O-N 3.03Å; A481-G484 VanDerWaalsContact O-N 3.14Å; G482-G484 VanDerWaalsContact C-N 3.33Å; G482-G484 PolarHBondContact O-N 2.96Å; G484-R487 PolarHBondContact O-N 3.2Å; G484-A488 WeakPolarHBondContact O-CB 3.42Å; G484-A488 PolarHBondContact O-N 2.71Å |
| 485 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.1 | -48.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V478 A481 G482 R487 A488 G489 T598 A612 V613 | V478-A485 HydrophobicContact CG2-CB 4.07Å; A481-A485 PolarHBondContact O-N 3.37Å; G482-A485 PolarHBondContact O-N 2.98Å; A485-R487 VanDerWaalsContact C-N 3.35Å; A485-R487 PolarHBondContact O-N 3.21Å; A485-A488 PolarHBondContact O-N 2.93Å; A485-G489 PolarHBondContact O-N 2.79Å; A485-T598 HydrophobicContact CB-CG2 4.3Å; A485-A612 WeakPolarHBondContact CB-O 3.28Å; A485-V613 HydrophobicContact CB-CG2 3.88Å; A485-V613 WeakPolarHBondContact O-CG2 3.42Å |
| 486 | I | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 176.3 | -66.8 | 166.1 | 0 | 0 | 0 | 110.6 | G482 A488 G489 L490 T511 I514 L546 D577 T598 | G482-I486 WeakPolarHBondContact O-CG1 3.49Å; G482-I486 PolarHBondContact O-N 3.43Å; I486-A488 PolarHBondContact O-N 3.08Å; I486-G489 PolarHBondContact O-N 3.47Å; I486-L490 HydrophobicContact CG2-CD1 3.88Å; I486-L490 HydrophobicContact CG2-CG 4.25Å; I486-L490 WeakPolarHBondContact O-CB 3.24Å; I486-L490 WeakPolarHBondContact O-CG 3.2Å; I486-L490 PolarHBondContact O-N 3.35Å; I486-T511 HydrophobicContact CG2-CG2 4.02Å; I486-I514 HydrophobicContact CB-CD1 4.42Å; I486-I514 HydrophobicContact CG2-CD1 4.19Å; I486-L546 HydrophobicContact CG2-CD1 4.14Å; I486-D577 HydrophobicContact CD1-CB 4.21Å; I486-D577 WeakPolarHBondContact CD1-OD2 3.4Å; I486-T598 VanDerWaalsContact CG1-OG1 3.32Å; I486-T598 WeakPolarHBondContact CG1-OG1 3.46Å |
| 487 | R | 98.8 | Very high | 98.2 | Very high | 105 Ų | 105 | 34.5 Ų | 34.5 | 40% | 0.396 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.4 | -48.5 | 177.5 | -172 | -172.5 | -60.2 | 112.8 | 0.4 | 111.9 | T483 G484 A485 A491 I514 | T483-R487 WeakPolarHBondContact O-CB 3.01Å; T483-R487 PolarHBondContact O-N 2.98Å; G484-R487 PolarHBondContact O-N 3.2Å; A485-R487 VanDerWaalsContact C-N 3.35Å; A485-R487 PolarHBondContact O-N 3.21Å; R487-A491 VanDerWaalsContact O-CB 3.28Å; R487-A491 WeakPolarHBondContact O-CB 3.38Å; R487-A491 PolarHBondContact O-N 3.27Å; R487-I514 HydrophobicContact CB-CD1 3.77Å; R487-I514 HydrophobicContact CB-CG1 4.15Å; R487-I514 HydrophobicContact CB-CG2 4.37Å; R487-I514 HydrophobicContact CG-CG1 4.37Å; R487-I514 HydrophobicContact CG-CG2 4.22Å |
| 488 | A | 98.6 | Very high | 98.2 | Very high | 21 Ų | 21 | 37.1 Ų | 37.1 | 17% | 0.174 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.5 | -44 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V478 G484 A485 I486 A492 V613 I623 | V478-A488 HydrophobicContact CG1-CB 4.45Å; G484-A488 WeakPolarHBondContact O-CB 3.42Å; G484-A488 PolarHBondContact O-N 2.71Å; A485-A488 PolarHBondContact O-N 2.93Å; I486-A488 PolarHBondContact O-N 3.08Å; A488-A492 WeakPolarHBondContact O-CB 3.38Å; A488-A492 PolarHBondContact O-N 3.23Å; A488-A492 VanDerWaalsContact O-N 3.09Å; A488-V613 HydrophobicContact CB-CG2 4.42Å; A488-I623 HydrophobicContact CB-CD1 4.29Å; A488-I623 HydrophobicContact CB-CG1 4.35Å; A488-I623 HydrophobicContact CB-CG2 3.99Å |
| 489 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -48.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A485 I486 A491 A492 L493 | A485-G489 PolarHBondContact O-N 2.79Å; I486-G489 PolarHBondContact O-N 3.47Å; G489-A491 PolarHBondContact O-N 3.46Å; G489-A492 PolarHBondContact O-N 3.27Å; G489-L493 WeakPolarHBondContact O-CG 3.32Å; G489-L493 PolarHBondContact O-N 3.48Å; G489-L493 VanDerWaalsContact O-N 3.16Å |
| 490 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 177.2 | -72.7 | 178.6 | 0 | 0 | 0 | 111.8 | I486 A492 L493 L494 L500 I514 M518 L546 L575 | I486-L490 HydrophobicContact CG2-CD1 3.88Å; I486-L490 HydrophobicContact CG2-CG 4.25Å; I486-L490 WeakPolarHBondContact O-CB 3.24Å; I486-L490 WeakPolarHBondContact O-CG 3.2Å; I486-L490 PolarHBondContact O-N 3.35Å; L490-A492 PolarHBondContact O-N 3.14Å; L490-L493 PolarHBondContact O-N 3.19Å; L490-L493 VanDerWaalsContact O-N 3.14Å; L490-L494 HydrophobicContact CD2-CD1 4.16Å; L490-L494 WeakPolarHBondContact O-CB 3.36Å; L490-L494 PolarHBondContact O-N 2.94Å; L490-L500 HydrophobicContact CD2-CD1 4.02Å; L490-L500 HydrophobicContact CD2-CD2 4.31Å; L490-I514 HydrophobicContact CD1-CG2 4Å; L490-M518 HydrophobicContact CB-SD 4.2Å; L490-L546 HydrophobicContact CD1-CD1 4.19Å; L490-L546 HydrophobicContact CD2-CD1 4.25Å; L490-L575 HydrophobicContact CD2-CD1 4.35Å; L490-L575 HydrophobicContact CG-CD1 4.31Å |
| 491 | A | 98.4 | Very high | 98.2 | Very high | 61 Ų | 61 | 35.3 Ų | 35.3 | 50% | 0.504 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66 | -22.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R487 G489 M518 | R487-A491 VanDerWaalsContact O-CB 3.28Å; R487-A491 WeakPolarHBondContact O-CB 3.38Å; R487-A491 PolarHBondContact O-N 3.27Å; G489-A491 PolarHBondContact O-N 3.46Å; A491-M518 HydrophobicContact CB-CE 4.31Å |
| 492 | A | 98.3 | Very high | 98.3 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 12% | 0.116 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -86.5 | -17.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A488 G489 L490 V619 R622 I623 | A488-A492 WeakPolarHBondContact O-CB 3.38Å; A488-A492 PolarHBondContact O-N 3.23Å; A488-A492 VanDerWaalsContact O-N 3.09Å; G489-A492 PolarHBondContact O-N 3.27Å; L490-A492 PolarHBondContact O-N 3.14Å; A492-V619 HydrophobicContact CB-CG1 3.75Å; A492-R622 HydrophobicContact CB-CB 4.12Å; A492-R622 PolarHBondContact O-NE 2.95Å; A492-I623 HydrophobicContact CB-CD1 4.22Å; A492-I623 HydrophobicContact CB-CG1 3.59Å |
| 493 | L | 98.2 | Very high | 98.3 | Very high | 30 Ų | 30 | 34.4 Ų | 34.4 | 16% | 0.157 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -100 | -31.2 | 177 | -65.4 | 178 | 0 | 0 | 0 | 112.6 | G489 L490 A544 P573 L575 V596 V619 | G489-L493 WeakPolarHBondContact O-CG 3.32Å; G489-L493 PolarHBondContact O-N 3.48Å; G489-L493 VanDerWaalsContact O-N 3.16Å; L490-L493 PolarHBondContact O-N 3.19Å; L490-L493 VanDerWaalsContact O-N 3.14Å; L493-A544 HydrophobicContact CB-CB 4.3Å; L493-P573 HydrophobicContact CD2-CB 4.06Å; L493-L575 HydrophobicContact CD1-CB 3.9Å; L493-V596 HydrophobicContact CD1-CG2 4.16Å; L493-V619 HydrophobicContact CD2-CG1 4.09Å; L493-V619 HydrophobicContact CD2-CG2 3.78Å; L493-V619 HydrophobicContact CG-CG1 4.41Å |
| 494 | L | 97.3 | Very high | 98.1 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | trans | -130.1 | 144.6 | -169.3 | -61.1 | 173.9 | 0 | 0 | 0 | 111.9 | L490 Q498 L500 M518 L520 D543 A544 | L490-L494 HydrophobicContact CD2-CD1 4.16Å; L490-L494 WeakPolarHBondContact O-CB 3.36Å; L490-L494 PolarHBondContact O-N 2.94Å; L494-Q498 HydrophobicContact CD2-CB 4.27Å; L494-L500 HydrophobicContact CD1-CB 4.11Å; L494-L500 HydrophobicContact CD1-CD1 3.83Å; L494-L500 HydrophobicContact CD1-CG 4.44Å; L494-M518 HydrophobicContact CB-CE 4.43Å; L494-L520 HydrophobicContact CB-CD2 4.46Å; L494-L520 HydrophobicContact CD1-CD1 3.88Å; L494-L520 HydrophobicContact CD1-CD2 4.41Å; L494-D543 HydrophobicContact CD2-CB 3.5Å; L494-D543 VanDerWaalsContact CD2-CB 3.5Å; L494-A544 HydrophobicContact CD1-CB 4.08Å; L494-A544 HydrophobicContact CD2-CB 3.43Å; L494-A544 VanDerWaalsContact CD2-CB 3.43Å; L494-A544 HydrophobicContact CG-CB 3.77Å | ||
| 495 | K | 97.5 | Very high | 97.7 | Very high | 150 Ų | 150 | 37.8 Ų | 37.8 | 65% | 0.652 | 21% | 0.211 | S | C | * | . | trans | -89.5 | 155.9 | 164.6 | -62.1 | -179.8 | -178 | 175.8 | 0 | 110.3 | G497 Q498 L520 | K495-G497 PolarHBondContact O-N 2.94Å; K495-Q498 HydrophobicContact CB-CG 4.29Å; K495-Q498 WeakPolarHBondContact O-CB 3.44Å; K495-Q498 PolarHBondContact O-N 3.46Å; K495-L520 WeakPolarHBondContact O-CD2 3.42Å | ||
| 496 | P | 98.1 | Very high | 97.2 | Very high | 103 Ų | 103 | 40.4 Ų | 40.4 | 67% | 0.669 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53 | 141 | 171.7 | -26.3 | 35.5 | 0 | 0 | 0 | 112.3 | Q498 M518 | P496-Q498 VanDerWaalsContact C-N 3.3Å; P496-Q498 PolarHBondContact O-N 3.37Å; P496-M518 WeakPolarHBondContact CA-O 3.28Å; P496-M518 WeakPolarHBondContact CB-O 3.42Å |
| 497 | G | 97.4 | Very high | 96.9 | Very high | 45 Ų | 45 | 41.4 Ų | 41.4 | 46% | 0.464 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85 | -14.5 | -178 | 0 | 0 | 0 | 0 | 0 | 116.1 | K495 M518 G519 | K495-G497 PolarHBondContact O-N 2.94Å; G497-M518 PolarHBondContact N-O 3.07Å; G497-M518 VanDerWaalsContact N-O 3.15Å; G497-G519 VanDerWaalsContact CA-O 3.24Å; G497-G519 WeakPolarHBondContact CA-O 3.31Å; G497-G519 PolarHBondContact N-O 3.49Å |
| 498 | Q | 98.4 | Very high | 96.4 | Very high | 57 Ų | 57 | 39.3 Ų | 39.3 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | trans | -71.5 | 170.2 | -179.7 | -77.4 | -169.7 | -65.1 | 0 | 0 | 113.3 | L494 K495 P496 L520 T521 D543 | L494-Q498 HydrophobicContact CD2-CB 4.27Å; K495-Q498 HydrophobicContact CB-CG 4.29Å; K495-Q498 WeakPolarHBondContact O-CB 3.44Å; K495-Q498 PolarHBondContact O-N 3.46Å; P496-Q498 VanDerWaalsContact C-N 3.3Å; P496-Q498 PolarHBondContact O-N 3.37Å; Q498-L520 WeakPolarHBondContact O-CA 3.38Å; Q498-T521 PolarHBondContact O-N 3.26Å; Q498-D543 HydrophobicContact CB-CB 4.11Å; Q498-D543 WeakPolarHBondContact CB-OD2 3.48Å; Q498-D543 VanDerWaalsContact NE2-CG 3.28Å; Q498-D543 PolarHBondContact NE2-OD1 3.33Å | ||
| 499 | R | 98.6 | Very high | 96.1 | Very high | 78 Ų | 78 | 41.4 Ų | 41.4 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 119.7 | -171 | -61.6 | 163.2 | 67 | 77.7 | -3.6 | 110.6 | T521 I523 Q540 D543 A544 | R499-T521 CarbonylContact C-O 3.33Å; R499-T521 VanDerWaalsContact CA-O 3.26Å; R499-T521 WeakPolarHBondContact CA-O 3.15Å; R499-T521 HydrophobicContact CG-CG2 4.48Å; R499-I523 HydrophobicContact CB-CD1 3.85Å; R499-Q540 PolarHBondContact NE-O 3.38Å; R499-Q540 PolarHBondContact NH2-O 2.98Å; R499-D543 WeakPolarHBondContact CB-OD2 3.35Å; R499-D543 PolarHBondContact N-OD2 3.04Å; R499-D543 PolarHBondContact O-N 3.48Å; R499-A544 PolarHBondContact O-N 2.91Å |
| 500 | L | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 122.9 | 178.2 | 176.2 | 69.6 | 0 | 0 | 0 | 110.1 | L490 L494 V502 I515 L520 T521 L522 I523 L546 | L490-L500 HydrophobicContact CD2-CD1 4.02Å; L490-L500 HydrophobicContact CD2-CD2 4.31Å; L494-L500 HydrophobicContact CD1-CB 4.11Å; L494-L500 HydrophobicContact CD1-CD1 3.83Å; L494-L500 HydrophobicContact CD1-CG 4.44Å; L500-V502 HydrophobicContact CD2-CG1 4.04Å; L500-V502 HydrophobicContact CG-CG1 4.07Å; L500-I515 HydrophobicContact CD2-CD1 3.92Å; L500-I515 HydrophobicContact CD2-CG1 3.83Å; L500-L520 HydrophobicContact CB-CD1 4.27Å; L500-L520 HydrophobicContact CD2-CD1 4.16Å; L500-T521 PolarHBondContact N-O 2.93Å; L500-L522 HydrophobicContact CB-CD2 4.09Å; L500-L522 HydrophobicContact CD2-CD2 4.06Å; L500-L522 HydrophobicContact CG-CD2 4.31Å; L500-L522 WeakPolarHBondContact O-CA 3.29Å; L500-I523 PolarHBondContact O-N 3.17Å; L500-L546 HydrophobicContact CD1-CB 3.96Å; L500-L546 HydrophobicContact CD2-CB 4.3Å; L500-L546 HydrophobicContact CG-CB 4.46Å |
| 501 | L | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 131.9 | 170.4 | -171.7 | 75.6 | 0 | 0 | 0 | 110.7 | I523 V525 F527 L533 V536 V537 P542 A544 A545 L546 L567 | L501-I523 CarbonylContact C-O 3.53Å; L501-I523 WeakPolarHBondContact CA-O 3.33Å; L501-I523 HydrophobicContact CD1-CB 3.88Å; L501-I523 HydrophobicContact CD1-CG2 3.56Å; L501-V525 HydrophobicContact CD1-CG1 3.8Å; L501-V525 HydrophobicContact CD2-CG1 4.45Å; L501-V525 HydrophobicContact CG-CG1 4.34Å; L501-F527 HydrophobicContact CD2-CE1 4.19Å; L501-F527 HydrophobicContact CD2-CZ 4.45Å; L501-F527 HydrophobicContact CG-CE1 4.3Å; L501-F527 HydrophobicContact CG-CZ 4.47Å; L501-L533 HydrophobicContact CD2-CD1 3.69Å; L501-V536 HydrophobicContact CD1-CG1 4.16Å; L501-V537 HydrophobicContact CD2-CG2 3.73Å; L501-P542 HydrophobicContact CB-CB 3.76Å; L501-P542 HydrophobicContact CB-CG 4.02Å; L501-P542 HydrophobicContact CD2-CG 4.4Å; L501-A544 PolarHBondContact N-O 3.2Å; L501-A545 HydrophobicContact CB-CB 3.96Å; L501-A545 HydrophobicContact CD2-CB 4.15Å; L501-A545 WeakPolarHBondContact O-CA 3.33Å; L501-L546 PolarHBondContact O-N 3.06Å; L501-L567 HydrophobicContact CD2-CD2 3.64Å |
| 502 | V | 98.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.024 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 159.6 | 174.5 | -63.8 | 0 | 0 | 0 | 0 | 110.9 | L500 V507 L522 I523 T524 V525 L546 | L500-V502 HydrophobicContact CD2-CG1 4.04Å; L500-V502 HydrophobicContact CG-CG1 4.07Å; V502-V507 HydrophobicContact CG2-CG2 4.38Å; V502-L522 HydrophobicContact CG1-CD2 4.1Å; V502-L522 HydrophobicContact CG2-CD1 4.41Å; V502-L522 HydrophobicContact CG2-CD2 4.33Å; V502-I523 PolarHBondContact N-O 3.13Å; V502-T524 WeakPolarHBondContact O-CA 3.43Å; V502-V525 PolarHBondContact O-N 3.34Å; V502-L546 HydrophobicContact CG1-CB 4.38Å |
| 503 | H | 97.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 1% | 0.014 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 143.6 | 171.8 | -174.6 | 21.9 | 0 | 0 | 0 | 111.2 | A505 V525 D526 F527 D556 Y558 | H503-A505 VanDerWaalsContact CD2-CB 3.43Å; H503-A505 WeakPolarHBondContact CD2-CB 3.38Å; H503-A505 PolarHBondContact O-N 3.27Å; H503-V525 CarbonylContact C-O 3.57Å; H503-V525 WeakPolarHBondContact CA-O 3.43Å; H503-V525 PolarHBondContact ND1-O 3.32Å; H503-D526 IonicContact CE1-OD1 3.68Å; H503-D526 PolarHBondContact CE1-OD1 3.1Å; H503-D526 IonicContact ND1-OD1 2.7Å; H503-F527 HydrophobicContact CB-CD1 4.32Å; H503-F527 HydrophobicContact CB-CD2 3.58Å; H503-F527 HydrophobicContact CB-CE1 4.47Å; H503-F527 HydrophobicContact CB-CE2 3.73Å; H503-F527 HydrophobicContact CB-CG 3.89Å; H503-F527 HydrophobicContact CB-CZ 4.2Å; H503-F527 PolarHBondContact CE1-N 2.79Å; H503-F527 AromaticContact CG-CD2 3.97Å; H503-F527 AromaticContact CG-CG 3.94Å; H503-F527 AromaticContact ND1-CG 3.86Å; H503-F527 PolarHBondContact ND1-N 3.45Å; H503-D556 IonicContact CD2-OD1 2.71Å; H503-D556 IonicContact NE2-OD1 2.72Å; H503-D556 PolarHBondContact NE2-OD1 3.45Å; H503-D556 IonicContact NE2-OD2 3.12Å; H503-Y558 AromaticContact CD2-CE1 3.87Å |
| 504 | D | 95.2 | Very high | 95.7 | Very high | 99 Ų | 99 | 46.8 Ų | 46.8 | 53% | 0.529 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -65.4 | 66.2 | 164.6 | -164.3 | 18 | 0 | 0 | 0 | 113.2 | T524 V525 D526 Q553 | D504-T524 HydrophobicContact CB-CG2 3.6Å; D504-V525 PolarHBondContact N-O 3.23Å; D504-D526 HydrophobicContact CB-CB 4.47Å; D504-Q553 PolarHBondContact O-NE2 3.07Å |
| 505 | A | 89.5 | Confident | 95.7 | Very high | 15 Ų | 15 | 46.8 Ų | 46.8 | 12% | 0.124 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -155.4 | 163.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | H503 V507 Q552 Q553 | H503-A505 VanDerWaalsContact CD2-CB 3.43Å; H503-A505 WeakPolarHBondContact CD2-CB 3.38Å; H503-A505 PolarHBondContact O-N 3.27Å; A505-V507 PolarHBondContact O-N 3.28Å; A505-Q552 HydrophobicContact CB-CB 3.59Å; A505-Q552 HydrophobicContact CB-CG 4.35Å; A505-Q553 HydrophobicContact CB-CG 4.15Å |
| 506 | P | 88 | Confident | 95.7 | Very high | 54 Ų | 54 | 45.6 Ų | 45.6 | 35% | 0.351 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -57.6 | 117.8 | 178.9 | -25.7 | 35 | 0 | 0 | 0 | 112.4 | Q552 T732 | P506-Q552 PolarHBondContact O-NE2 3.35Å; P506-T732 HydrophobicContact CB-CG2 3.5Å; P506-T732 HydrophobicContact CG-CG2 3.78Å |
| 507 | V | 91.5 | Very high | 95.7 | Very high | 23 Ų | 23 | 47.3 Ų | 47.3 | 14% | 0.139 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 138.6 | 174.7 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | V502 A505 T511 R512 I515 | V502-V507 HydrophobicContact CG2-CG2 4.38Å; A505-V507 PolarHBondContact O-N 3.28Å; V507-T511 HydrophobicContact CG1-CG2 3.95Å; V507-R512 HydrophobicContact CB-CB 4.47Å; V507-R512 HydrophobicContact CG1-CB 4.2Å; V507-R512 PolarHBondContact O-NH1 2.94Å; V507-I515 HydrophobicContact CG1-CD1 3.94Å |
| 508 | Y | 89.6 | Confident | 95.8 | Very high | 61 Ų | 61 | 46.4 Ų | 46.4 | 24% | 0.239 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -52.2 | 133.7 | 178.1 | -170.6 | -97.5 | 0 | 0 | 0 | 111.2 | T510 T511 R512 | Y508-T510 WeakPolarHBondContact CD1-OG1 3.47Å; Y508-T510 HydrophobicContact CE1-CG2 4.39Å; Y508-T510 WeakPolarHBondContact CE1-OG1 3.3Å; Y508-T510 PolarHBondContact O-N 3.19Å; Y508-T511 WeakPolarHBondContact O-CA 3.41Å; Y508-T511 WeakPolarHBondContact O-CB 3.45Å; Y508-T511 PolarHBondContact O-N 2.76Å; Y508-R512 PolarHBondContact O-N 3.41Å |
| 509 | P | 90.9 | Very high | 95.8 | Very high | 65 Ų | 65 | 46 Ų | 46 | 42% | 0.422 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.1 | -43.6 | -165.8 | -29.9 | 35.9 | 0 | 0 | 0 | 115.4 | R512 V513 | P509-R512 PolarHBondContact O-N 3.02Å; P509-V513 WeakPolarHBondContact O-CG2 3.13Å; P509-V513 PolarHBondContact O-N 2.95Å |
| 510 | T | 94.8 | Very high | 95.7 | Very high | 47 Ų | 47 | 43 Ų | 43 | 29% | 0.288 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -76.2 | -25.9 | 179.6 | 60.1 | 0 | 0 | 0 | 0 | 112.6 | T483 Y508 V513 I514 | T483-T510 HydrophobicContact CG2-CG2 4.42Å; T483-T510 WeakPolarHBondContact OG1-CB 3.12Å; T483-T510 PolarHBondContact OG1-OG1 3.21Å; Y508-T510 WeakPolarHBondContact CD1-OG1 3.47Å; Y508-T510 HydrophobicContact CE1-CG2 4.39Å; Y508-T510 WeakPolarHBondContact CE1-OG1 3.3Å; Y508-T510 PolarHBondContact O-N 3.19Å; T510-V513 PolarHBondContact O-N 3.06Å; T510-I514 WeakPolarHBondContact O-CG1 3.4Å; T510-I514 PolarHBondContact O-N 3.11Å |
| 511 | T | 96.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 171.1 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | I486 V507 Y508 V513 I514 I515 L546 | I486-T511 HydrophobicContact CG2-CG2 4.02Å; V507-T511 HydrophobicContact CG1-CG2 3.95Å; Y508-T511 WeakPolarHBondContact O-CA 3.41Å; Y508-T511 WeakPolarHBondContact O-CB 3.45Å; Y508-T511 PolarHBondContact O-N 2.76Å; T511-V513 VanDerWaalsContact C-N 3.32Å; T511-V513 PolarHBondContact O-N 3.39Å; T511-I514 WeakPolarHBondContact O-CB 3.4Å; T511-I514 PolarHBondContact O-N 2.86Å; T511-I514 VanDerWaalsContact O-N 3.11Å; T511-I515 HydrophobicContact CG2-CD1 4.06Å; T511-I515 WeakPolarHBondContact O-CD1 3.48Å; T511-I515 WeakPolarHBondContact O-CG1 3.28Å; T511-I515 PolarHBondContact O-N 3.26Å; T511-L546 HydrophobicContact CG2-CD1 3.56Å; T511-L546 HydrophobicContact CG2-CD2 4.45Å |
| 512 | R | 96 | Very high | 95.7 | Very high | 107 Ų | 107 | 49.6 Ų | 49.6 | 40% | 0.404 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.2 | -42.6 | 172.5 | -177 | 175.5 | 59.1 | -104 | -0.3 | 111.9 | V507 Y508 P509 I514 I515 E516 | V507-R512 HydrophobicContact CB-CB 4.47Å; V507-R512 HydrophobicContact CG1-CB 4.2Å; V507-R512 PolarHBondContact O-NH1 2.94Å; Y508-R512 PolarHBondContact O-N 3.41Å; P509-R512 PolarHBondContact O-N 3.02Å; R512-I514 VanDerWaalsContact C-N 3.3Å; R512-I514 PolarHBondContact O-N 3.11Å; R512-I515 WeakPolarHBondContact O-CB 3.29Å; R512-I515 PolarHBondContact O-N 2.55Å; R512-E516 HydrophobicContact CG-CG 4.5Å; R512-E516 WeakPolarHBondContact CG-OE1 3.39Å; R512-E516 WeakPolarHBondContact O-CG 3.31Å; R512-E516 PolarHBondContact O-N 3.34Å |
| 513 | V | 97.8 | Very high | 95.7 | Very high | 63 Ų | 63 | 50 Ų | 50 | 38% | 0.382 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.4 | -39.3 | 174.4 | 173 | 0 | 0 | 0 | 0 | 111.7 | P509 T510 T511 E516 Q517 | P509-V513 WeakPolarHBondContact O-CG2 3.13Å; P509-V513 PolarHBondContact O-N 2.95Å; T510-V513 PolarHBondContact O-N 3.06Å; T511-V513 VanDerWaalsContact C-N 3.32Å; T511-V513 PolarHBondContact O-N 3.39Å; V513-E516 PolarHBondContact O-N 3.46Å; V513-Q517 HydrophobicContact CG1-CG 4.31Å; V513-Q517 WeakPolarHBondContact O-CB 3.31Å; V513-Q517 WeakPolarHBondContact O-CG 3.25Å; V513-Q517 PolarHBondContact O-N 2.84Å |
| 514 | I | 98.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 175.7 | -68 | 159.2 | 0 | 0 | 0 | 110.9 | T483 I486 R487 L490 T510 T511 R512 E516 Q517 M518 | T483-I514 HydrophobicContact CG2-CD1 3.82Å; T483-I514 WeakPolarHBondContact O-CD1 3.45Å; I486-I514 HydrophobicContact CB-CD1 4.42Å; I486-I514 HydrophobicContact CG2-CD1 4.19Å; R487-I514 HydrophobicContact CB-CD1 3.77Å; R487-I514 HydrophobicContact CB-CG1 4.15Å; R487-I514 HydrophobicContact CB-CG2 4.37Å; R487-I514 HydrophobicContact CG-CG1 4.37Å; R487-I514 HydrophobicContact CG-CG2 4.22Å; L490-I514 HydrophobicContact CD1-CG2 4Å; T510-I514 WeakPolarHBondContact O-CG1 3.4Å; T510-I514 PolarHBondContact O-N 3.11Å; T511-I514 WeakPolarHBondContact O-CB 3.4Å; T511-I514 PolarHBondContact O-N 2.86Å; T511-I514 VanDerWaalsContact O-N 3.11Å; R512-I514 VanDerWaalsContact C-N 3.3Å; R512-I514 PolarHBondContact O-N 3.11Å; I514-E516 VanDerWaalsContact C-N 3.32Å; I514-E516 PolarHBondContact O-N 3.45Å; I514-Q517 PolarHBondContact O-N 2.78Å; I514-M518 HydrophobicContact CG2-CG 4.4Å; I514-M518 HydrophobicContact CG2-SD 3.9Å; I514-M518 WeakPolarHBondContact O-CB 3.48Å; I514-M518 WeakPolarHBondContact O-CG 3.41Å; I514-M518 PolarHBondContact O-N 3.16Å |
| 515 | I | 98.1 | Very high | 95.9 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.6 | -47.4 | 177.5 | -72.6 | 158.9 | 0 | 0 | 0 | 110.5 | L500 V507 T511 R512 M518 G519 L520 L522 | L500-I515 HydrophobicContact CD2-CD1 3.92Å; L500-I515 HydrophobicContact CD2-CG1 3.83Å; V507-I515 HydrophobicContact CG1-CD1 3.94Å; T511-I515 HydrophobicContact CG2-CD1 4.06Å; T511-I515 WeakPolarHBondContact O-CD1 3.48Å; T511-I515 WeakPolarHBondContact O-CG1 3.28Å; T511-I515 PolarHBondContact O-N 3.26Å; R512-I515 WeakPolarHBondContact O-CB 3.29Å; R512-I515 PolarHBondContact O-N 2.55Å; I515-M518 PolarHBondContact O-N 3.43Å; I515-G519 PolarHBondContact O-N 3.23Å; I515-L520 HydrophobicContact CG1-CD1 4.38Å; I515-L520 HydrophobicContact CG2-CB 4.16Å; I515-L520 PolarHBondContact O-N 2.77Å; I515-L520 VanDerWaalsContact O-N 3.07Å; I515-L522 HydrophobicContact CD1-CD2 4.05Å; I515-L522 HydrophobicContact CG1-CD2 4.39Å; I515-L522 HydrophobicContact CG2-CD1 4.14Å; I515-L522 HydrophobicContact CG2-CD2 3.7Å; I515-L522 HydrophobicContact CG2-CG 3.93Å |
| 516 | E | 98 | Very high | 96.2 | Very high | 126 Ų | 126 | 51.4 Ų | 51.4 | 59% | 0.589 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.4 | -45.3 | 177.3 | -70.6 | 165.9 | -176.1 | 0 | 0 | 111.7 | R512 V513 I514 M518 G519 | R512-E516 HydrophobicContact CG-CG 4.5Å; R512-E516 WeakPolarHBondContact CG-OE1 3.39Å; R512-E516 WeakPolarHBondContact O-CG 3.31Å; R512-E516 PolarHBondContact O-N 3.34Å; V513-E516 PolarHBondContact O-N 3.46Å; I514-E516 VanDerWaalsContact C-N 3.32Å; I514-E516 PolarHBondContact O-N 3.45Å; E516-M518 VanDerWaalsContact C-N 3.29Å; E516-M518 PolarHBondContact O-N 2.93Å; E516-G519 PolarHBondContact O-N 3.4Å |
| 517 | Q | 98.3 | Very high | 96.7 | Very high | 138 Ų | 138 | 48.9 Ų | 48.9 | 65% | 0.645 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -63.8 | -32.8 | 178.1 | -76.3 | 174.7 | -7.6 | 0 | 0 | 113.1 | V513 I514 G519 | V513-Q517 HydrophobicContact CG1-CG 4.31Å; V513-Q517 WeakPolarHBondContact O-CB 3.31Å; V513-Q517 WeakPolarHBondContact O-CG 3.25Å; V513-Q517 PolarHBondContact O-N 2.84Å; I514-Q517 PolarHBondContact O-N 2.78Å; Q517-G519 VanDerWaalsContact C-N 3.31Å |
| 518 | M | 98.3 | Very high | 96.8 | Very high | 27 Ų | 27 | 50 Ų | 50 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -5.7 | 175 | -70.8 | -176.9 | 71.5 | 0 | 0 | 112.7 | L490 A491 L494 P496 G497 I514 I515 E516 L520 | L490-M518 HydrophobicContact CB-SD 4.2Å; A491-M518 HydrophobicContact CB-CE 4.31Å; L494-M518 HydrophobicContact CB-CE 4.43Å; P496-M518 WeakPolarHBondContact CA-O 3.28Å; P496-M518 WeakPolarHBondContact CB-O 3.42Å; G497-M518 PolarHBondContact N-O 3.07Å; G497-M518 VanDerWaalsContact N-O 3.15Å; I514-M518 HydrophobicContact CG2-CG 4.4Å; I514-M518 HydrophobicContact CG2-SD 3.9Å; I514-M518 WeakPolarHBondContact O-CB 3.48Å; I514-M518 WeakPolarHBondContact O-CG 3.41Å; I514-M518 PolarHBondContact O-N 3.16Å; I515-M518 PolarHBondContact O-N 3.43Å; E516-M518 VanDerWaalsContact C-N 3.29Å; E516-M518 PolarHBondContact O-N 2.93Å; M518-L520 HydrophobicContact CB-CD1 4.16Å; M518-L520 HydrophobicContact CB-CD2 4.01Å; M518-L520 HydrophobicContact CB-CG 3.68Å; M518-L520 HydrophobicContact CE-CD2 4.35Å; M518-L520 PolarHBondContact O-N 3.48Å; M518-L520 HydrophobicContact SD-CD1 4.35Å |
| 519 | G | 98.1 | Very high | 97.1 | Very high | 47 Ų | 47 | 50.7 Ų | 50.7 | 49% | 0.485 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 33.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G497 I515 E516 Q517 | G497-G519 VanDerWaalsContact CA-O 3.24Å; G497-G519 WeakPolarHBondContact CA-O 3.31Å; G497-G519 PolarHBondContact N-O 3.49Å; I515-G519 PolarHBondContact O-N 3.23Å; E516-G519 PolarHBondContact O-N 3.4Å; Q517-G519 VanDerWaalsContact C-N 3.31Å |
| 520 | L | 98.3 | Very high | 97.3 | Very high | 17 Ų | 17 | 50.6 Ų | 50.6 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 145.3 | -176.7 | -57.2 | 177.9 | 0 | 0 | 0 | 111.4 | L494 K495 Q498 L500 I515 M518 | L494-L520 HydrophobicContact CB-CD2 4.46Å; L494-L520 HydrophobicContact CD1-CD1 3.88Å; L494-L520 HydrophobicContact CD1-CD2 4.41Å; K495-L520 WeakPolarHBondContact O-CD2 3.42Å; Q498-L520 WeakPolarHBondContact O-CA 3.38Å; L500-L520 HydrophobicContact CB-CD1 4.27Å; L500-L520 HydrophobicContact CD2-CD1 4.16Å; I515-L520 HydrophobicContact CG1-CD1 4.38Å; I515-L520 HydrophobicContact CG2-CB 4.16Å; I515-L520 PolarHBondContact O-N 2.77Å; I515-L520 VanDerWaalsContact O-N 3.07Å; M518-L520 HydrophobicContact CB-CD1 4.16Å; M518-L520 HydrophobicContact CB-CD2 4.01Å; M518-L520 HydrophobicContact CB-CG 3.68Å; M518-L520 HydrophobicContact CE-CD2 4.35Å; M518-L520 PolarHBondContact O-N 3.48Å; M518-L520 HydrophobicContact SD-CD1 4.35Å |
| 521 | T | 98.3 | Very high | 97.4 | Very high | 67 Ų | 67 | 52.7 Ų | 52.7 | 41% | 0.411 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 123.9 | 171.2 | -59.7 | 0 | 0 | 0 | 0 | 109.3 | Q498 R499 L500 | Q498-T521 PolarHBondContact O-N 3.26Å; R499-T521 CarbonylContact C-O 3.33Å; R499-T521 VanDerWaalsContact CA-O 3.26Å; R499-T521 WeakPolarHBondContact CA-O 3.15Å; R499-T521 HydrophobicContact CG-CG2 4.48Å; L500-T521 PolarHBondContact N-O 2.93Å |
| 522 | L | 98 | Very high | 97.4 | Very high | 71 Ų | 71 | 53.9 Ų | 53.9 | 37% | 0.372 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 132.5 | 178.5 | -65.7 | -174.8 | 0 | 0 | 0 | 112.1 | L500 V502 I515 | L500-L522 HydrophobicContact CB-CD2 4.09Å; L500-L522 HydrophobicContact CD2-CD2 4.06Å; L500-L522 HydrophobicContact CG-CD2 4.31Å; L500-L522 WeakPolarHBondContact O-CA 3.29Å; V502-L522 HydrophobicContact CG1-CD2 4.1Å; V502-L522 HydrophobicContact CG2-CD1 4.41Å; V502-L522 HydrophobicContact CG2-CD2 4.33Å; I515-L522 HydrophobicContact CD1-CD2 4.05Å; I515-L522 HydrophobicContact CG1-CD2 4.39Å; I515-L522 HydrophobicContact CG2-CD1 4.14Å; I515-L522 HydrophobicContact CG2-CD2 3.7Å; I515-L522 HydrophobicContact CG2-CG 3.93Å |
| 523 | I | 98.4 | Very high | 97.5 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.8 | 163.2 | -58.4 | 156.9 | 0 | 0 | 0 | 106.3 | R499 L500 L501 V502 V536 Q540 P542 | R499-I523 HydrophobicContact CB-CD1 3.85Å; L500-I523 PolarHBondContact O-N 3.17Å; L501-I523 CarbonylContact C-O 3.53Å; L501-I523 WeakPolarHBondContact CA-O 3.33Å; L501-I523 HydrophobicContact CD1-CB 3.88Å; L501-I523 HydrophobicContact CD1-CG2 3.56Å; V502-I523 PolarHBondContact N-O 3.13Å; I523-V536 HydrophobicContact CG2-CG1 3.52Å; I523-Q540 HydrophobicContact CD1-CB 3.79Å; I523-Q540 HydrophobicContact CG1-CB 4.24Å; I523-Q540 HydrophobicContact CG2-CB 3.95Å; I523-Q540 HydrophobicContact CG2-CG 4.08Å; I523-P542 HydrophobicContact CD1-CB 3.73Å |
| 524 | T | 98.2 | Very high | 97.4 | Very high | 73 Ų | 73 | 51 Ų | 51 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 135.1 | -174.4 | -55.1 | 0 | 0 | 0 | 0 | 109.8 | V502 D504 | V502-T524 WeakPolarHBondContact O-CA 3.43Å; D504-T524 HydrophobicContact CB-CG2 3.6Å |
| 525 | V | 98 | Very high | 97.4 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 148.1 | 174.1 | 65.1 | 0 | 0 | 0 | 0 | 110.8 | L501 V502 H503 D504 F527 A532 L533 V536 | L501-V525 HydrophobicContact CD1-CG1 3.8Å; L501-V525 HydrophobicContact CD2-CG1 4.45Å; L501-V525 HydrophobicContact CG-CG1 4.34Å; V502-V525 PolarHBondContact O-N 3.34Å; H503-V525 CarbonylContact C-O 3.57Å; H503-V525 WeakPolarHBondContact CA-O 3.43Å; H503-V525 PolarHBondContact ND1-O 3.32Å; D504-V525 PolarHBondContact N-O 3.23Å; V525-F527 HydrophobicContact CG1-CD1 3.86Å; V525-F527 HydrophobicContact CG1-CE1 3.65Å; V525-F527 WeakPolarHBondContact O-CD1 3.44Å; V525-F527 PolarHBondContact O-N 3.35Å; V525-A532 HydrophobicContact CG2-CB 4.08Å; V525-L533 HydrophobicContact CG1-CD1 3.66Å; V525-V536 HydrophobicContact CB-CB 4.19Å; V525-V536 HydrophobicContact CB-CG1 4.16Å; V525-V536 HydrophobicContact CB-CG2 4.12Å; V525-V536 HydrophobicContact CG1-CG1 4.47Å; V525-V536 HydrophobicContact CG2-CB 4.09Å; V525-V536 HydrophobicContact CG2-CG2 3.74Å |
| 526 | D | 97.3 | Very high | 97.4 | Very high | 62 Ų | 62 | 57.4 Ų | 57.4 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | trans | -70.1 | 115 | 174.8 | -172.5 | -3.8 | 0 | 0 | 0 | 110.3 | H503 D504 N528 D529 | H503-D526 IonicContact CE1-OD1 3.68Å; H503-D526 PolarHBondContact CE1-OD1 3.1Å; H503-D526 IonicContact ND1-OD1 2.7Å; D504-D526 HydrophobicContact CB-CB 4.47Å; D526-N528 PolarHBondContact O-N 2.81Å; D526-N528 VanDerWaalsContact OD1-CB 3.23Å; D526-N528 WeakPolarHBondContact OD1-CB 3.24Å; D526-N528 PolarHBondContact OD1-N 3.18Å; D526-N528 PolarHBondContact OD1-ND2 2.95Å; D526-D529 PolarHBondContact O-N 2.88Å | ||
| 527 | F | 97.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -12.2 | 179.3 | -72.8 | -1.4 | 0 | 0 | 0 | 112.5 | L501 H503 V525 L533 V547 Y558 V563 | L501-F527 HydrophobicContact CD2-CE1 4.19Å; L501-F527 HydrophobicContact CD2-CZ 4.45Å; L501-F527 HydrophobicContact CG-CE1 4.3Å; L501-F527 HydrophobicContact CG-CZ 4.47Å; H503-F527 HydrophobicContact CB-CD1 4.32Å; H503-F527 HydrophobicContact CB-CD2 3.58Å; H503-F527 HydrophobicContact CB-CE1 4.47Å; H503-F527 HydrophobicContact CB-CE2 3.73Å; H503-F527 HydrophobicContact CB-CG 3.89Å; H503-F527 HydrophobicContact CB-CZ 4.2Å; H503-F527 PolarHBondContact CE1-N 2.79Å; H503-F527 AromaticContact CG-CD2 3.97Å; H503-F527 AromaticContact CG-CG 3.94Å; H503-F527 AromaticContact ND1-CG 3.86Å; H503-F527 PolarHBondContact ND1-N 3.45Å; V525-F527 HydrophobicContact CG1-CD1 3.86Å; V525-F527 HydrophobicContact CG1-CE1 3.65Å; V525-F527 WeakPolarHBondContact O-CD1 3.44Å; V525-F527 PolarHBondContact O-N 3.35Å; F527-L533 HydrophobicContact CD1-CD1 3.97Å; F527-L533 HydrophobicContact CE1-CD1 3.8Å; F527-V547 HydrophobicContact CD2-CG1 4.07Å; F527-V547 HydrophobicContact CE2-CB 4.17Å; F527-V547 HydrophobicContact CE2-CG1 3.95Å; F527-V547 HydrophobicContact CE2-CG2 3.79Å; F527-V547 HydrophobicContact CZ-CG2 4.36Å; F527-Y558 HydrophobicContact CB-CD1 3.83Å; F527-Y558 HydrophobicContact CB-CE1 4.22Å; F527-Y558 HydrophobicContact CB-CG 4.03Å; F527-Y558 VanDerWaalsContact O-CB 3.24Å; F527-Y558 WeakPolarHBondContact O-CB 3.44Å; F527-V563 HydrophobicContact CB-CG2 4.14Å; F527-V563 HydrophobicContact CD2-CG1 3.98Å; F527-V563 HydrophobicContact CE2-CG1 4.27Å; F527-V563 HydrophobicContact CG-CG1 4.2Å |
| 528 | N | 93.7 | Very high | 97.2 | Very high | 47 Ų | 47 | 48.5 Ų | 48.5 | 25% | 0.251 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -21.2 | 171.1 | -55.7 | -62.6 | 0 | 0 | 0 | 111.8 | D526 S557 Y558 | D526-N528 PolarHBondContact O-N 2.81Å; D526-N528 VanDerWaalsContact OD1-CB 3.23Å; D526-N528 WeakPolarHBondContact OD1-CB 3.24Å; D526-N528 PolarHBondContact OD1-N 3.18Å; D526-N528 PolarHBondContact OD1-ND2 2.95Å; N528-S557 PolarHBondContact OD1-N 3.4Å; N528-S557 PolarHBondContact OD1-OG 2.87Å; N528-Y558 PolarHBondContact OD1-N 3.28Å |
| 529 | D | 96.7 | Very high | 97.2 | Very high | 74 Ų | 74 | 52.8 Ų | 52.8 | 40% | 0.396 | 30% | 0.297 | S | S | . | . | trans | -106.8 | 95.4 | 173.6 | -173 | -16.3 | 0 | 0 | 0 | 110.9 | D526 S531 A532 L533 | D526-D529 PolarHBondContact O-N 2.88Å; D529-S531 PolarHBondContact O-N 3.28Å; D529-S531 WeakPolarHBondContact OD1-CA 3.2Å; D529-S531 WeakPolarHBondContact OD1-CB 3.16Å; D529-S531 PolarHBondContact OD1-N 2.86Å; D529-A532 HydrophobicContact CB-CB 3.88Å; D529-A532 PolarHBondContact O-N 3Å; D529-A532 PolarHBondContact OD1-N 3.42Å; D529-L533 WeakPolarHBondContact O-CB 3.29Å; D529-L533 PolarHBondContact O-N 3.48Å | ||
| 530 | L | 95.7 | Very high | 97.1 | Very high | 64 Ų | 64 | 54.4 Ų | 54.4 | 34% | 0.335 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.2 | -26.1 | 178.9 | -63.2 | -179.1 | 0 | 0 | 0 | 113.3 | L533 K534 D562 V563 | L530-L533 HydrophobicContact CD2-CD2 4.11Å; L530-K534 WeakPolarHBondContact O-CB 3.41Å; L530-K534 PolarHBondContact O-N 3.32Å; L530-D562 HydrophobicContact CD1-CB 3.91Å; L530-V563 HydrophobicContact CD2-CG2 3.91Å |
| 531 | S | 96.3 | Very high | 97 | Very high | 91 Ų | 91 | 59.7 Ų | 59.7 | 64% | 0.636 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -73.1 | -45 | 178 | -60.4 | 0 | 0 | 0 | 0 | 110.1 | D529 K534 Q535 | D529-S531 PolarHBondContact O-N 3.28Å; D529-S531 WeakPolarHBondContact OD1-CA 3.2Å; D529-S531 WeakPolarHBondContact OD1-CB 3.16Å; D529-S531 PolarHBondContact OD1-N 2.86Å; S531-K534 PolarHBondContact O-N 2.89Å; S531-Q535 PolarHBondContact O-N 3.32Å |
| 532 | A | 96.3 | Very high | 97 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 21% | 0.207 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V525 D529 K534 Q535 V536 | V525-A532 HydrophobicContact CG2-CB 4.08Å; D529-A532 HydrophobicContact CB-CB 3.88Å; D529-A532 PolarHBondContact O-N 3Å; D529-A532 PolarHBondContact OD1-N 3.42Å; A532-K534 VanDerWaalsContact C-N 3.34Å; A532-K534 PolarHBondContact O-N 3.42Å; A532-Q535 PolarHBondContact O-N 3.26Å; A532-V536 WeakPolarHBondContact O-CB 3.32Å; A532-V536 WeakPolarHBondContact O-CG2 3.23Å; A532-V536 PolarHBondContact O-N 3.48Å |
| 533 | L | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -54.3 | -50.7 | 174.6 | 172.4 | 61 | 0 | 0 | 0 | 111.3 | L501 V525 F527 D529 L530 Q535 V536 V537 V563 T566 L567 | L501-L533 HydrophobicContact CD2-CD1 3.69Å; V525-L533 HydrophobicContact CG1-CD1 3.66Å; F527-L533 HydrophobicContact CD1-CD1 3.97Å; F527-L533 HydrophobicContact CE1-CD1 3.8Å; D529-L533 WeakPolarHBondContact O-CB 3.29Å; D529-L533 PolarHBondContact O-N 3.48Å; L530-L533 HydrophobicContact CD2-CD2 4.11Å; L533-Q535 PolarHBondContact O-N 2.9Å; L533-V536 PolarHBondContact O-N 3.04Å; L533-V537 HydrophobicContact CD1-CG2 4Å; L533-V537 WeakPolarHBondContact O-CB 3.43Å; L533-V537 VanDerWaalsContact O-CG2 3.23Å; L533-V537 WeakPolarHBondContact O-CG2 3.43Å; L533-V537 PolarHBondContact O-N 3.06Å; L533-V563 HydrophobicContact CD2-CB 4.42Å; L533-V563 HydrophobicContact CD2-CG1 3.9Å; L533-T566 HydrophobicContact CD2-CG2 3.96Å; L533-T566 HydrophobicContact CG-CG2 4.05Å; L533-L567 HydrophobicContact CD1-CD2 4.28Å |
| 534 | K | 96.9 | Very high | 97 | Very high | 109 Ų | 109 | 55.7 Ų | 55.7 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.5 | -47.9 | 178.8 | 177.5 | 167.1 | 172.5 | 41.2 | 0 | 111.6 | L530 S531 A532 V537 D538 T566 | L530-K534 WeakPolarHBondContact O-CB 3.41Å; L530-K534 PolarHBondContact O-N 3.32Å; S531-K534 PolarHBondContact O-N 2.89Å; A532-K534 VanDerWaalsContact C-N 3.34Å; A532-K534 PolarHBondContact O-N 3.42Å; K534-V537 PolarHBondContact O-N 3.26Å; K534-D538 IonicContact NZ-OD1 3.14Å; K534-D538 IonicContact NZ-OD2 3.39Å; K534-D538 PolarHBondContact NZ-OD2 2.89Å; K534-D538 WeakPolarHBondContact O-CB 3.16Å; K534-D538 VanDerWaalsContact O-CG 3.26Å; K534-D538 PolarHBondContact O-N 3.06Å; K534-T566 HydrophobicContact CB-CG2 4.11Å |
| 535 | Q | 97.3 | Very high | 97.1 | Very high | 112 Ų | 112 | 52.2 Ų | 52.2 | 52% | 0.523 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.8 | -48.9 | 179.7 | -178.2 | -177.8 | -7.7 | 0 | 0 | 111.8 | S531 A532 L533 V537 D538 E539 | S531-Q535 PolarHBondContact O-N 3.32Å; A532-Q535 PolarHBondContact O-N 3.26Å; L533-Q535 PolarHBondContact O-N 2.9Å; Q535-V537 VanDerWaalsContact C-N 3.32Å; Q535-V537 PolarHBondContact O-N 3.37Å; Q535-D538 PolarHBondContact O-N 2.88Å; Q535-E539 HydrophobicContact CG-CG 4.42Å; Q535-E539 VanDerWaalsContact CG-OE1 3.28Å; Q535-E539 WeakPolarHBondContact CG-OE1 3.38Å; Q535-E539 PolarHBondContact NE2-OE1 3.4Å; Q535-E539 WeakPolarHBondContact O-CB 3.49Å; Q535-E539 WeakPolarHBondContact O-CG 3.48Å; Q535-E539 PolarHBondContact O-N 3.13Å |
| 536 | V | 97.8 | Very high | 97.1 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.8 | -39.4 | -179 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | L501 I523 V525 A532 L533 E539 Q540 | L501-V536 HydrophobicContact CD1-CG1 4.16Å; I523-V536 HydrophobicContact CG2-CG1 3.52Å; V525-V536 HydrophobicContact CB-CB 4.19Å; V525-V536 HydrophobicContact CB-CG1 4.16Å; V525-V536 HydrophobicContact CB-CG2 4.12Å; V525-V536 HydrophobicContact CG1-CG1 4.47Å; V525-V536 HydrophobicContact CG2-CB 4.09Å; V525-V536 HydrophobicContact CG2-CG2 3.74Å; A532-V536 WeakPolarHBondContact O-CB 3.32Å; A532-V536 WeakPolarHBondContact O-CG2 3.23Å; A532-V536 PolarHBondContact O-N 3.48Å; L533-V536 PolarHBondContact O-N 3.04Å; V536-E539 PolarHBondContact O-N 2.99Å; V536-Q540 HydrophobicContact CG1-CB 4.36Å; V536-Q540 HydrophobicContact CG1-CG 4.02Å; V536-Q540 WeakPolarHBondContact O-CB 3.43Å; V536-Q540 PolarHBondContact O-N 2.94Å |
| 537 | V | 97.5 | Very high | 97.1 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 175.2 | 168.8 | 0 | 0 | 0 | 0 | 111 | L501 L533 K534 Q535 E539 Q541 P542 L567 A570 V572 | L501-V537 HydrophobicContact CD2-CG2 3.73Å; L533-V537 HydrophobicContact CD1-CG2 4Å; L533-V537 WeakPolarHBondContact O-CB 3.43Å; L533-V537 VanDerWaalsContact O-CG2 3.23Å; L533-V537 WeakPolarHBondContact O-CG2 3.43Å; L533-V537 PolarHBondContact O-N 3.06Å; K534-V537 PolarHBondContact O-N 3.26Å; Q535-V537 VanDerWaalsContact C-N 3.32Å; Q535-V537 PolarHBondContact O-N 3.37Å; V537-E539 PolarHBondContact O-N 3Å; V537-Q541 WeakPolarHBondContact O-CA 3.33Å; V537-Q541 PolarHBondContact O-N 3.29Å; V537-Q541 PolarHBondContact O-NE2 3.28Å; V537-P542 HydrophobicContact CG1-CG 4.48Å; V537-P542 HydrophobicContact CG2-CG 4.3Å; V537-L567 HydrophobicContact CG2-CD2 4.01Å; V537-A570 HydrophobicContact CG1-CB 3.37Å; V537-V572 HydrophobicContact CG1-CG2 3.57Å |
| 538 | D | 95.8 | Very high | 97.1 | Very high | 75 Ų | 75 | 49.3 Ų | 49.3 | 40% | 0.401 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.3 | -39.1 | -179.5 | -69.1 | -21.5 | 0 | 0 | 0 | 111.4 | K534 Q535 Q541 | K534-D538 IonicContact NZ-OD1 3.14Å; K534-D538 IonicContact NZ-OD2 3.39Å; K534-D538 PolarHBondContact NZ-OD2 2.89Å; K534-D538 WeakPolarHBondContact O-CB 3.16Å; K534-D538 VanDerWaalsContact O-CG 3.26Å; K534-D538 PolarHBondContact O-N 3.06Å; Q535-D538 PolarHBondContact O-N 2.88Å; D538-Q541 PolarHBondContact O-NE2 3.34Å |
| 539 | E | 96.8 | Very high | 97 | Very high | 117 Ų | 117 | 48.6 Ų | 48.6 | 55% | 0.547 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -80.4 | -44.3 | -179 | -70.9 | 177.3 | -170.6 | 0 | 0 | 114.2 | Q535 V536 V537 | Q535-E539 HydrophobicContact CG-CG 4.42Å; Q535-E539 VanDerWaalsContact CG-OE1 3.28Å; Q535-E539 WeakPolarHBondContact CG-OE1 3.38Å; Q535-E539 PolarHBondContact NE2-OE1 3.4Å; Q535-E539 WeakPolarHBondContact O-CB 3.49Å; Q535-E539 WeakPolarHBondContact O-CG 3.48Å; Q535-E539 PolarHBondContact O-N 3.13Å; V536-E539 PolarHBondContact O-N 2.99Å; V537-E539 PolarHBondContact O-N 3Å |
| 540 | Q | 96.5 | Very high | 96.5 | Very high | 82 Ų | 82 | 45.3 Ų | 45.3 | 38% | 0.383 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -95.6 | -12.8 | -169 | -62.3 | -65.3 | -38.2 | 0 | 0 | 113.4 | R499 I523 V536 | R499-Q540 PolarHBondContact NE-O 3.38Å; R499-Q540 PolarHBondContact NH2-O 2.98Å; I523-Q540 HydrophobicContact CD1-CB 3.79Å; I523-Q540 HydrophobicContact CG1-CB 4.24Å; I523-Q540 HydrophobicContact CG2-CB 3.95Å; I523-Q540 HydrophobicContact CG2-CG 4.08Å; V536-Q540 HydrophobicContact CG1-CB 4.36Å; V536-Q540 HydrophobicContact CG1-CG 4.02Å; V536-Q540 WeakPolarHBondContact O-CB 3.43Å; V536-Q540 PolarHBondContact O-N 2.94Å |
| 541 | Q | 96.1 | Very high | 95.9 | Very high | 127 Ų | 127 | 45.6 Ų | 45.6 | 59% | 0.593 | 23% | 0.231 | S | C | * | . | trans | 44.6 | 64.6 | 176.3 | -64.2 | -69.3 | -54.1 | 0 | 0 | 112.4 | V537 D538 | V537-Q541 WeakPolarHBondContact O-CA 3.33Å; V537-Q541 PolarHBondContact O-N 3.29Å; V537-Q541 PolarHBondContact O-NE2 3.28Å; D538-Q541 PolarHBondContact O-NE2 3.34Å | ||
| 542 | P | 98.3 | Very high | 95.3 | Very high | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | trans | -62.7 | 141.9 | 176.7 | 26.7 | -33.6 | 0 | 0 | 0 | 111.5 | L501 I523 V537 V572 | L501-P542 HydrophobicContact CB-CB 3.76Å; L501-P542 HydrophobicContact CB-CG 4.02Å; L501-P542 HydrophobicContact CD2-CG 4.4Å; I523-P542 HydrophobicContact CD1-CB 3.73Å; V537-P542 HydrophobicContact CG1-CG 4.48Å; V537-P542 HydrophobicContact CG2-CG 4.3Å; P542-V572 HydrophobicContact CG-CG1 4.04Å; P542-V572 HydrophobicContact CG-CG2 3.99Å | ||
| 543 | D | 98.6 | Very high | 94.5 | Very high | 58 Ų | 58 | 42.9 Ų | 42.9 | 31% | 0.31 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -74.3 | -28.9 | 178.2 | -62.9 | -84.7 | 0 | 0 | 0 | 112 | L494 Q498 R499 P573 | L494-D543 HydrophobicContact CD2-CB 3.5Å; L494-D543 VanDerWaalsContact CD2-CB 3.5Å; Q498-D543 HydrophobicContact CB-CB 4.11Å; Q498-D543 WeakPolarHBondContact CB-OD2 3.48Å; Q498-D543 VanDerWaalsContact NE2-CG 3.28Å; Q498-D543 PolarHBondContact NE2-OD1 3.33Å; R499-D543 WeakPolarHBondContact CB-OD2 3.35Å; R499-D543 PolarHBondContact N-OD2 3.04Å; R499-D543 PolarHBondContact O-N 3.48Å; D543-P573 WeakPolarHBondContact O-CD 3.44Å |
| 544 | A | 98.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 170.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L493 L494 R499 L501 P573 | L493-A544 HydrophobicContact CB-CB 4.3Å; L494-A544 HydrophobicContact CD1-CB 4.08Å; L494-A544 HydrophobicContact CD2-CB 3.43Å; L494-A544 VanDerWaalsContact CD2-CB 3.43Å; L494-A544 HydrophobicContact CG-CB 3.77Å; R499-A544 PolarHBondContact O-N 2.91Å; L501-A544 PolarHBondContact N-O 3.2Å; A544-P573 CarbonylContact C-O 3.49Å; A544-P573 VanDerWaalsContact CA-O 3.24Å; A544-P573 WeakPolarHBondContact CA-O 3.34Å; A544-P573 HydrophobicContact CB-CB 4.44Å; A544-P573 WeakPolarHBondContact CB-O 3.44Å |
| 545 | A | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 143.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L501 L567 V572 P573 A574 L575 | L501-A545 HydrophobicContact CB-CB 3.96Å; L501-A545 HydrophobicContact CD2-CB 4.15Å; L501-A545 WeakPolarHBondContact O-CA 3.33Å; A545-L567 HydrophobicContact CB-CD1 3.68Å; A545-L567 HydrophobicContact CB-CD2 3.82Å; A545-L567 HydrophobicContact CB-CG 4.37Å; A545-V572 HydrophobicContact CB-CG1 4.04Å; A545-P573 PolarHBondContact N-O 2.98Å; A545-A574 WeakPolarHBondContact O-CA 3.3Å; A545-L575 PolarHBondContact O-N 3.3Å |
| 546 | L | 98.7 | Very high | 91.8 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 5% | 0.047 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 121.1 | 169.2 | 179.3 | 147.8 | 0 | 0 | 0 | 109 | I486 L490 L500 L501 V502 T511 L575 | I486-L546 HydrophobicContact CG2-CD1 4.14Å; L490-L546 HydrophobicContact CD1-CD1 4.19Å; L490-L546 HydrophobicContact CD2-CD1 4.25Å; L500-L546 HydrophobicContact CD1-CB 3.96Å; L500-L546 HydrophobicContact CD2-CB 4.3Å; L500-L546 HydrophobicContact CG-CB 4.46Å; L501-L546 PolarHBondContact O-N 3.06Å; V502-L546 HydrophobicContact CG1-CB 4.38Å; T511-L546 HydrophobicContact CG2-CD1 3.56Å; T511-L546 HydrophobicContact CG2-CD2 4.45Å; L546-L575 WeakPolarHBondContact CA-O 3.07Å; L546-L575 HydrophobicContact CD1-CD2 4.01Å; L546-L575 HydrophobicContact CG-CD2 4.22Å |
| 547 | V | 98.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 119 | 179.6 | -170.6 | 0 | 0 | 0 | 0 | 109.1 | F527 Y558 L560 V563 L564 L567 L575 T576 D577 | F527-V547 HydrophobicContact CD2-CG1 4.07Å; F527-V547 HydrophobicContact CE2-CB 4.17Å; F527-V547 HydrophobicContact CE2-CG1 3.95Å; F527-V547 HydrophobicContact CE2-CG2 3.79Å; F527-V547 HydrophobicContact CZ-CG2 4.36Å; V547-Y558 HydrophobicContact CG1-CE2 4.17Å; V547-L560 HydrophobicContact CB-CD1 4.34Å; V547-L560 HydrophobicContact CG1-CD1 3.6Å; V547-V563 HydrophobicContact CG1-CG1 4.16Å; V547-V563 HydrophobicContact CG2-CG1 4.05Å; V547-L564 HydrophobicContact CG2-CD2 4.22Å; V547-L567 HydrophobicContact CG2-CD1 3.77Å; V547-L575 PolarHBondContact N-O 3.49Å; V547-T576 HydrophobicContact CB-CG2 4.24Å; V547-T576 VanDerWaalsContact O-CA 3.28Å; V547-T576 WeakPolarHBondContact O-CA 3.41Å; V547-D577 PolarHBondContact O-N 3.42Å |
| 548 | Q | 95.7 | Very high | 90.8 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.019 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 132.5 | 172.9 | -159.9 | 177 | -63.6 | 0 | 0 | 109 | T550 Q552 Y558 D577 | Q548-T550 WeakPolarHBondContact CG-O 3.13Å; Q548-T550 PolarHBondContact NE2-O 2.83Å; Q548-T550 PolarHBondContact NE2-OG1 3.34Å; Q548-Q552 HydrophobicContact CB-CG 4.01Å; Q548-Q552 VanDerWaalsContact CD-CG 3.43Å; Q548-Q552 HydrophobicContact CG-CG 4.27Å; Q548-Y558 PolarHBondContact O-OH 3.24Å; Q548-D577 HydrophobicContact CG-CB 4.23Å |
| 549 | H | 92.8 | Very high | 90.4 | Very high | 32 Ų | 32 | 46.1 Ų | 46.1 | 15% | 0.148 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -74.7 | -43.9 | 178 | -165 | 152.2 | 0 | 0 | 0 | 110.5 | L560 D577 D578 A581 R587 | H549-L560 HydrophobicContact CB-CD2 4.31Å; H549-L560 VanDerWaalsContact CE1-CD2 3.43Å; H549-L560 WeakPolarHBondContact CE1-CD2 3.36Å; H549-L560 WeakPolarHBondContact ND1-CD2 3.48Å; H549-D577 WeakPolarHBondContact CB-O 3.23Å; H549-D577 PolarHBondContact N-O 3.34Å; H549-D578 IonicContact CE1-OD1 2.79Å; H549-D578 IonicContact CG-OD1 3.98Å; H549-D578 IonicContact ND1-OD1 3.93Å; H549-D578 PolarHBondContact ND1-OD1 3.15Å; H549-A581 HydrophobicContact CB-CB 4.09Å; H549-R587 PolarHBondContact CE1-O 3.33Å; H549-R587 VanDerWaalsContact CE1-O 3.31Å |
| 550 | T | 86.8 | Confident | 90.1 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -79.2 | 147.4 | 178.7 | 55.9 | 0 | 0 | 0 | 0 | 111.7 | Q548 Q552 N579 A581 Q684 | Q548-T550 WeakPolarHBondContact CG-O 3.13Å; Q548-T550 PolarHBondContact NE2-O 2.83Å; Q548-T550 PolarHBondContact NE2-OG1 3.34Å; T550-Q552 PolarHBondContact O-N 3.12Å; T550-N579 WeakPolarHBondContact CG2-O 3.41Å; T550-A581 HydrophobicContact CG2-CB 4.32Å; T550-Q684 WeakPolarHBondContact CB-O 3.47Å; T550-Q684 WeakPolarHBondContact CG2-O 3.38Å |
| 551 | R | 82.6 | Confident | 89.9 | Confident | 70 Ų | 70 | 38.2 Ų | 38.2 | 26% | 0.264 | 21% | 0.205 | S | C | . | . | trans | -60.2 | 130.5 | -178 | -51.7 | -51.6 | -170.9 | 179.8 | 1.3 | 111 | D556 Y558 N682 | R551-D556 HydrophobicContact CB-CB 4.2Å; R551-D556 VanDerWaalsContact CD-O 3.25Å; R551-D556 WeakPolarHBondContact CD-O 3.42Å; R551-D556 HydrophobicContact CG-CB 4.42Å; R551-D556 VanDerWaalsContact CZ-O 3.27Å; R551-D556 PolarHBondContact NE-O 2.94Å; R551-D556 VanDerWaalsContact NE-O 3.08Å; R551-Y558 PolarHBondContact NH1-O 2.99Å; R551-Y558 PolarHBondContact NH2-O 3.48Å; R551-Y558 VanDerWaalsContact NH2-O 3.07Å; R551-N682 HydrophobicContact CB-CB 3.98Å; R551-N682 HydrophobicContact CG-CB 3.71Å | ||
| 552 | Q | 83 | Confident | 89.9 | Confident | 15 Ų | 15 | 35.9 Ų | 35.9 | 7% | 0.07 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -86.9 | -30.8 | 178.5 | -69.3 | 172.3 | -106.6 | 0 | 0 | 110.6 | A505 P506 Q548 T550 D556 | A505-Q552 HydrophobicContact CB-CB 3.59Å; A505-Q552 HydrophobicContact CB-CG 4.35Å; P506-Q552 PolarHBondContact O-NE2 3.35Å; Q548-Q552 HydrophobicContact CB-CG 4.01Å; Q548-Q552 VanDerWaalsContact CD-CG 3.43Å; Q548-Q552 HydrophobicContact CG-CG 4.27Å; T550-Q552 PolarHBondContact O-N 3.12Å; Q552-D556 WeakPolarHBondContact CA-OD2 3.37Å; Q552-D556 WeakPolarHBondContact CB-OD2 3.43Å; Q552-D556 PolarHBondContact N-OD2 3.38Å |
| 553 | Q | 80.2 | Confident | 89.8 | Confident | 43 Ų | 43 | 35.5 Ų | 35.5 | 20% | 0.201 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -144.5 | 159.1 | 177.4 | 56.9 | -169.7 | -1.4 | 0 | 0 | 111.4 | D504 A505 Q555 D556 | D504-Q553 PolarHBondContact O-NE2 3.07Å; A505-Q553 HydrophobicContact CB-CG 4.15Å; Q553-Q555 VanDerWaalsContact C-N 3.25Å; Q553-Q555 HydrophobicContact CG-CG 4.1Å; Q553-Q555 PolarHBondContact O-N 2.88Å; Q553-D556 WeakPolarHBondContact CG-OD1 3.28Å; Q553-D556 WeakPolarHBondContact CG-OD2 3.13Å; Q553-D556 PolarHBondContact N-OD2 2.89Å; Q553-D556 PolarHBondContact NE2-OD1 3Å; Q553-D556 WeakPolarHBondContact O-CB 3.39Å; Q553-D556 PolarHBondContact O-N 3.46Å; Q553-D556 VanDerWaalsContact O-N 3.16Å |
| 554 | P | 74.1 | Confident | 89.8 | Confident | 95 Ų | 95 | 32.7 Ų | 32.7 | 62% | 0.617 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -29.8 | -171.2 | -27.3 | 37.2 | 0 | 0 | 0 | 115.4 | D556 F733 | P554-D556 VanDerWaalsContact C-N 3.33Å; P554-F733 HydrophobicContact CG-CD2 3.89Å; P554-F733 HydrophobicContact CG-CE2 3.54Å |
| 555 | Q | 80.2 | Confident | 89.7 | Confident | 118 Ų | 118 | 35.4 Ų | 35.4 | 55% | 0.551 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -7.1 | -178.2 | 65.3 | -87.9 | 27.4 | 0 | 0 | 114.2 | Q553 S557 | Q553-Q555 VanDerWaalsContact C-N 3.25Å; Q553-Q555 HydrophobicContact CG-CG 4.1Å; Q553-Q555 PolarHBondContact O-N 2.88Å; Q555-S557 PolarHBondContact O-N 3.33Å; Q555-S557 VanDerWaalsContact O-N 3.16Å |
| 556 | D | 81 | Confident | 89.7 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.043 | 21% | 0.211 | C | C | . | . | trans | -65.9 | 117 | -179.8 | -66.1 | -13.3 | 0 | 0 | 0 | 110.4 | H503 R551 Q552 Q553 P554 Y558 | H503-D556 IonicContact CD2-OD1 2.71Å; H503-D556 IonicContact NE2-OD1 2.72Å; H503-D556 PolarHBondContact NE2-OD1 3.45Å; H503-D556 IonicContact NE2-OD2 3.12Å; R551-D556 HydrophobicContact CB-CB 4.2Å; R551-D556 VanDerWaalsContact CD-O 3.25Å; R551-D556 WeakPolarHBondContact CD-O 3.42Å; R551-D556 HydrophobicContact CG-CB 4.42Å; R551-D556 VanDerWaalsContact CZ-O 3.27Å; R551-D556 PolarHBondContact NE-O 2.94Å; R551-D556 VanDerWaalsContact NE-O 3.08Å; Q552-D556 WeakPolarHBondContact CA-OD2 3.37Å; Q552-D556 WeakPolarHBondContact CB-OD2 3.43Å; Q552-D556 PolarHBondContact N-OD2 3.38Å; Q553-D556 WeakPolarHBondContact CG-OD1 3.28Å; Q553-D556 WeakPolarHBondContact CG-OD2 3.13Å; Q553-D556 PolarHBondContact N-OD2 2.89Å; Q553-D556 PolarHBondContact NE2-OD1 3Å; Q553-D556 WeakPolarHBondContact O-CB 3.39Å; Q553-D556 PolarHBondContact O-N 3.46Å; Q553-D556 VanDerWaalsContact O-N 3.16Å; P554-D556 VanDerWaalsContact C-N 3.33Å; D556-Y558 HydrophobicContact CB-CD1 4.41Å; D556-Y558 HydrophobicContact CB-CE1 4.15Å | ||
| 557 | S | 85.7 | Confident | 89.6 | Confident | 84 Ų | 84 | 36.5 Ų | 36.5 | 59% | 0.587 | 21% | 0.208 | S | C | * | . | trans | -124.6 | -4.7 | -177.6 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | N528 Q555 | N528-S557 PolarHBondContact OD1-N 3.4Å; N528-S557 PolarHBondContact OD1-OG 2.87Å; Q555-S557 PolarHBondContact O-N 3.33Å; Q555-S557 VanDerWaalsContact O-N 3.16Å | ||
| 558 | Y | 88.9 | Confident | 89.6 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 4% | 0.039 | 23% | 0.232 | C | C | . | . | trans | -54.5 | 147.7 | -178.9 | 65.9 | -95.8 | 0 | 0 | 0 | 112.9 | H503 F527 N528 V547 Q548 R551 D556 V563 | H503-Y558 AromaticContact CD2-CE1 3.87Å; F527-Y558 HydrophobicContact CB-CD1 3.83Å; F527-Y558 HydrophobicContact CB-CE1 4.22Å; F527-Y558 HydrophobicContact CB-CG 4.03Å; F527-Y558 VanDerWaalsContact O-CB 3.24Å; F527-Y558 WeakPolarHBondContact O-CB 3.44Å; N528-Y558 PolarHBondContact OD1-N 3.28Å; V547-Y558 HydrophobicContact CG1-CE2 4.17Å; Q548-Y558 PolarHBondContact O-OH 3.24Å; R551-Y558 PolarHBondContact NH1-O 2.99Å; R551-Y558 PolarHBondContact NH2-O 3.48Å; R551-Y558 VanDerWaalsContact NH2-O 3.07Å; D556-Y558 HydrophobicContact CB-CD1 4.41Å; D556-Y558 HydrophobicContact CB-CE1 4.15Å; Y558-V563 HydrophobicContact CD2-CG2 3.76Å; Y558-V563 HydrophobicContact CG-CG2 4.1Å | ||
| 559 | V | 86.2 | Confident | 89.6 | Confident | 81 Ų | 81 | 46.9 Ų | 46.9 | 49% | 0.491 | 27% | 0.267 | S | S | . | . | trans | -91.7 | 122.8 | 172.8 | 177.3 | 0 | 0 | 0 | 0 | 108 | A561 D562 V563 | V559-A561 VanDerWaalsContact C-N 3.3Å; V559-A561 HydrophobicContact CG1-CB 4.44Å; V559-A561 PolarHBondContact O-N 2.96Å; V559-D562 HydrophobicContact CB-CB 4.27Å; V559-D562 WeakPolarHBondContact CB-OD2 3.2Å; V559-D562 PolarHBondContact O-N 3.45Å; V559-D562 VanDerWaalsContact O-N 3.09Å; V559-V563 PolarHBondContact O-N 2.94Å | ||
| 560 | L | 91.5 | Very high | 89.7 | Confident | 15 Ų | 15 | 47.2 Ų | 47.2 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -53.1 | -46.6 | -175.2 | 177.7 | 63.7 | 0 | 0 | 0 | 112.4 | V547 H549 D562 V563 L564 T576 | V547-L560 HydrophobicContact CB-CD1 4.34Å; V547-L560 HydrophobicContact CG1-CD1 3.6Å; H549-L560 HydrophobicContact CB-CD2 4.31Å; H549-L560 VanDerWaalsContact CE1-CD2 3.43Å; H549-L560 WeakPolarHBondContact CE1-CD2 3.36Å; H549-L560 WeakPolarHBondContact ND1-CD2 3.48Å; L560-D562 VanDerWaalsContact C-N 3.28Å; L560-D562 PolarHBondContact O-N 3.05Å; L560-V563 PolarHBondContact O-N 3.22Å; L560-L564 HydrophobicContact CD1-CD1 3.87Å; L560-L564 HydrophobicContact CD1-CG 4.08Å; L560-L564 HydrophobicContact CD2-CD1 4.34Å; L560-L564 HydrophobicContact CG-CD1 3.72Å; L560-L564 HydrophobicContact CG-CG 4.34Å; L560-L564 VanDerWaalsContact O-CG 3.26Å; L560-L564 WeakPolarHBondContact O-CG 3.33Å; L560-L564 PolarHBondContact O-N 2.99Å; L560-T576 HydrophobicContact CD1-CG2 4.05Å |
| 561 | A | 93 | Very high | 90.2 | Very high | 18 Ų | 18 | 49.9 Ų | 49.9 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.6 | -35 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V559 L564 A565 C592 | V559-A561 VanDerWaalsContact C-N 3.3Å; V559-A561 HydrophobicContact CG1-CB 4.44Å; V559-A561 PolarHBondContact O-N 2.96Å; A561-L564 PolarHBondContact O-N 3.26Å; A561-A565 VanDerWaalsContact O-CB 3.27Å; A561-A565 WeakPolarHBondContact O-CB 3.29Å; A561-A565 PolarHBondContact O-N 2.95Å; A561-C592 HydrophobicContact CB-CB 4.03Å |
| 562 | D | 94.4 | Very high | 90.9 | Very high | 79 Ų | 79 | 47.1 Ų | 47.1 | 42% | 0.422 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -75.9 | -38.2 | -176.9 | -60.6 | -17.2 | 0 | 0 | 0 | 111.2 | L530 V559 L560 A565 T566 | L530-D562 HydrophobicContact CD1-CB 3.91Å; V559-D562 HydrophobicContact CB-CB 4.27Å; V559-D562 WeakPolarHBondContact CB-OD2 3.2Å; V559-D562 PolarHBondContact O-N 3.45Å; V559-D562 VanDerWaalsContact O-N 3.09Å; L560-D562 VanDerWaalsContact C-N 3.28Å; L560-D562 PolarHBondContact O-N 3.05Å; D562-A565 PolarHBondContact O-N 3.39Å; D562-T566 PolarHBondContact O-N 3.42Å; D562-T566 PolarHBondContact O-OG1 3.13Å |
| 563 | V | 97.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.1 | -48.5 | 171 | 174.6 | 0 | 0 | 0 | 0 | 110 | F527 L530 L533 V547 Y558 V559 L560 A565 T566 L567 | F527-V563 HydrophobicContact CB-CG2 4.14Å; F527-V563 HydrophobicContact CD2-CG1 3.98Å; F527-V563 HydrophobicContact CE2-CG1 4.27Å; F527-V563 HydrophobicContact CG-CG1 4.2Å; L530-V563 HydrophobicContact CD2-CG2 3.91Å; L533-V563 HydrophobicContact CD2-CB 4.42Å; L533-V563 HydrophobicContact CD2-CG1 3.9Å; V547-V563 HydrophobicContact CG1-CG1 4.16Å; V547-V563 HydrophobicContact CG2-CG1 4.05Å; Y558-V563 HydrophobicContact CD2-CG2 3.76Å; Y558-V563 HydrophobicContact CG-CG2 4.1Å; V559-V563 PolarHBondContact O-N 2.94Å; L560-V563 PolarHBondContact O-N 3.22Å; V563-A565 PolarHBondContact O-N 2.99Å; V563-T566 WeakPolarHBondContact O-CB 3.37Å; V563-T566 PolarHBondContact O-N 3.46Å; V563-L567 HydrophobicContact CG1-CD1 4.07Å; V563-L567 WeakPolarHBondContact O-CG 3.41Å; V563-L567 PolarHBondContact O-N 3.02Å |
| 564 | L | 98.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 179.5 | -66.8 | 172.5 | 0 | 0 | 0 | 112.5 | V547 L560 A561 T566 L567 R568 A574 T576 A594 | V547-L564 HydrophobicContact CG2-CD2 4.22Å; L560-L564 HydrophobicContact CD1-CD1 3.87Å; L560-L564 HydrophobicContact CD1-CG 4.08Å; L560-L564 HydrophobicContact CD2-CD1 4.34Å; L560-L564 HydrophobicContact CG-CD1 3.72Å; L560-L564 HydrophobicContact CG-CG 4.34Å; L560-L564 VanDerWaalsContact O-CG 3.26Å; L560-L564 WeakPolarHBondContact O-CG 3.33Å; L560-L564 PolarHBondContact O-N 2.99Å; A561-L564 PolarHBondContact O-N 3.26Å; L564-T566 VanDerWaalsContact C-N 3.32Å; L564-T566 PolarHBondContact O-N 3.08Å; L564-L567 HydrophobicContact CD2-CD1 4.5Å; L564-L567 PolarHBondContact O-N 2.57Å; L564-R568 VanDerWaalsContact O-CB 3.27Å; L564-R568 WeakPolarHBondContact O-CB 3.42Å; L564-R568 PolarHBondContact O-N 2.89Å; L564-A574 HydrophobicContact CD2-CB 3.71Å; L564-T576 HydrophobicContact CD1-CG2 4.13Å; L564-T576 HydrophobicContact CD2-CG2 3.9Å; L564-A594 HydrophobicContact CD1-CB 4.02Å; L564-A594 HydrophobicContact CD2-CB 3.88Å |
| 565 | A | 97 | Very high | 93.7 | Very high | 57 Ų | 57 | 42 Ų | 42 | 47% | 0.471 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A561 D562 V563 R568 A569 | A561-A565 VanDerWaalsContact O-CB 3.27Å; A561-A565 WeakPolarHBondContact O-CB 3.29Å; A561-A565 PolarHBondContact O-N 2.95Å; D562-A565 PolarHBondContact O-N 3.39Å; V563-A565 PolarHBondContact O-N 2.99Å; A565-R568 PolarHBondContact O-N 2.89Å; A565-A569 WeakPolarHBondContact O-CB 3.33Å; A565-A569 PolarHBondContact O-N 3.09Å |
| 566 | T | 97.4 | Very high | 94.6 | Very high | 31 Ų | 31 | 36.3 Ų | 36.3 | 19% | 0.19 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.9 | -46.5 | 176.4 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | L533 K534 D562 V563 L564 A569 A570 | L533-T566 HydrophobicContact CD2-CG2 3.96Å; L533-T566 HydrophobicContact CG-CG2 4.05Å; K534-T566 HydrophobicContact CB-CG2 4.11Å; D562-T566 PolarHBondContact O-N 3.42Å; D562-T566 PolarHBondContact O-OG1 3.13Å; V563-T566 WeakPolarHBondContact O-CB 3.37Å; V563-T566 PolarHBondContact O-N 3.46Å; L564-T566 VanDerWaalsContact C-N 3.32Å; L564-T566 PolarHBondContact O-N 3.08Å; T566-A569 PolarHBondContact O-N 2.87Å; T566-A570 PolarHBondContact O-N 2.81Å |
| 567 | L | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.1 | -44.5 | 177.2 | -67.1 | 168.5 | 0 | 0 | 0 | 112.1 | L501 L533 V537 A545 V547 V563 L564 A569 A570 G571 V572 A574 | L501-L567 HydrophobicContact CD2-CD2 3.64Å; L533-L567 HydrophobicContact CD1-CD2 4.28Å; V537-L567 HydrophobicContact CG2-CD2 4.01Å; A545-L567 HydrophobicContact CB-CD1 3.68Å; A545-L567 HydrophobicContact CB-CD2 3.82Å; A545-L567 HydrophobicContact CB-CG 4.37Å; V547-L567 HydrophobicContact CG2-CD1 3.77Å; V563-L567 HydrophobicContact CG1-CD1 4.07Å; V563-L567 WeakPolarHBondContact O-CG 3.41Å; V563-L567 PolarHBondContact O-N 3.02Å; L564-L567 HydrophobicContact CD2-CD1 4.5Å; L564-L567 PolarHBondContact O-N 2.57Å; L567-A569 PolarHBondContact O-N 3.14Å; L567-A570 CarbonylContact O-C 3.54Å; L567-A570 PolarHBondContact O-N 3.39Å; L567-G571 PolarHBondContact O-N 3.25Å; L567-G571 VanDerWaalsContact O-N 3.15Å; L567-V572 HydrophobicContact CD2-CB 4.33Å; L567-V572 HydrophobicContact CD2-CG1 4.33Å; L567-V572 PolarHBondContact O-N 2.64Å; L567-A574 HydrophobicContact CD1-CB 4.06Å |
| 568 | R | 96.7 | Very high | 95.9 | Very high | 129 Ų | 129 | 32.2 Ų | 32.2 | 49% | 0.487 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 178.3 | -177.9 | 169.8 | -70.8 | -94 | 1 | 112.1 | L564 A565 A570 G571 G593 | L564-R568 VanDerWaalsContact O-CB 3.27Å; L564-R568 WeakPolarHBondContact O-CB 3.42Å; L564-R568 PolarHBondContact O-N 2.89Å; A565-R568 PolarHBondContact O-N 2.89Å; R568-A570 PolarHBondContact O-N 3.02Å; R568-G571 PolarHBondContact O-N 3.17Å; R568-G593 VanDerWaalsContact CZ-O 3.29Å; R568-G593 PolarHBondContact NE-O 3.32Å; R568-G593 PolarHBondContact NH2-O 3.03Å |
| 569 | A | 96.1 | Very high | 96.2 | Very high | 93 Ų | 93 | 32.2 Ų | 32.2 | 77% | 0.769 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -62.9 | -30.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A565 T566 L567 | A565-A569 WeakPolarHBondContact O-CB 3.33Å; A565-A569 PolarHBondContact O-N 3.09Å; T566-A569 PolarHBondContact O-N 2.87Å; L567-A569 PolarHBondContact O-N 3.14Å |
| 570 | A | 95.8 | Very high | 96.5 | Very high | 39 Ų | 39 | 29.9 Ų | 29.9 | 32% | 0.322 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | V537 T566 L567 R568 V572 | V537-A570 HydrophobicContact CG1-CB 3.37Å; T566-A570 PolarHBondContact O-N 2.81Å; L567-A570 CarbonylContact O-C 3.54Å; L567-A570 PolarHBondContact O-N 3.39Å; R568-A570 PolarHBondContact O-N 3.02Å; A570-V572 VanDerWaalsContact C-N 3.31Å; A570-V572 HydrophobicContact CB-CG2 4.24Å; A570-V572 PolarHBondContact O-N 3Å |
| 571 | G | 96.4 | Very high | 96.5 | Very high | 63 Ų | 63 | 29.3 Ų | 29.3 | 65% | 0.649 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73 | 18 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L567 R568 P573 | L567-G571 PolarHBondContact O-N 3.25Å; L567-G571 VanDerWaalsContact O-N 3.15Å; R568-G571 PolarHBondContact O-N 3.17Å; G571-P573 WeakPolarHBondContact O-CD 3.26Å |
| 572 | V | 98.3 | Very high | 96.5 | Very high | 12 Ų | 12 | 28.6 Ų | 28.6 | 7% | 0.073 | 19% | 0.187 | C | C | . | . | trans | -86.3 | 119.2 | 178.8 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | V537 P542 A545 L567 A570 A574 | V537-V572 HydrophobicContact CG1-CG2 3.57Å; P542-V572 HydrophobicContact CG-CG1 4.04Å; P542-V572 HydrophobicContact CG-CG2 3.99Å; A545-V572 HydrophobicContact CB-CG1 4.04Å; L567-V572 HydrophobicContact CD2-CB 4.33Å; L567-V572 HydrophobicContact CD2-CG1 4.33Å; L567-V572 PolarHBondContact O-N 2.64Å; A570-V572 VanDerWaalsContact C-N 3.31Å; A570-V572 HydrophobicContact CB-CG2 4.24Å; A570-V572 PolarHBondContact O-N 3Å; V572-A574 PolarHBondContact O-N 3.29Å | ||
| 573 | P | 98.4 | Very high | 96.4 | Very high | 42 Ų | 42 | 25.4 Ų | 25.4 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | trans | -61.4 | 132.8 | 175.1 | -21.3 | 32.5 | 0 | 0 | 0 | 111.7 | L493 D543 A544 A545 G571 N595 | L493-P573 HydrophobicContact CD2-CB 4.06Å; D543-P573 WeakPolarHBondContact O-CD 3.44Å; A544-P573 CarbonylContact C-O 3.49Å; A544-P573 VanDerWaalsContact CA-O 3.24Å; A544-P573 WeakPolarHBondContact CA-O 3.34Å; A544-P573 HydrophobicContact CB-CB 4.44Å; A544-P573 WeakPolarHBondContact CB-O 3.44Å; A545-P573 PolarHBondContact N-O 2.98Å; G571-P573 WeakPolarHBondContact O-CD 3.26Å; P573-N595 VanDerWaalsContact CA-OD1 3.26Å; P573-N595 WeakPolarHBondContact CA-OD1 3.22Å | ||
| 574 | A | 98.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.017 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A545 L564 L567 V572 N595 V596 | A545-A574 WeakPolarHBondContact O-CA 3.3Å; L564-A574 HydrophobicContact CD2-CB 3.71Å; L567-A574 HydrophobicContact CD1-CB 4.06Å; V572-A574 PolarHBondContact O-N 3.29Å; A574-N595 PolarHBondContact N-OD1 3.47Å; A574-N595 PolarHBondContact O-N 3.27Å; A574-V596 PolarHBondContact O-N 3.22Å |
| 575 | L | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 138 | 166.9 | -178.8 | 148.8 | 0 | 0 | 0 | 109.6 | L490 L493 A545 L546 V547 V596 T598 | L490-L575 HydrophobicContact CD2-CD1 4.35Å; L490-L575 HydrophobicContact CG-CD1 4.31Å; L493-L575 HydrophobicContact CD1-CB 3.9Å; A545-L575 PolarHBondContact O-N 3.3Å; L546-L575 WeakPolarHBondContact CA-O 3.07Å; L546-L575 HydrophobicContact CD1-CD2 4.01Å; L546-L575 HydrophobicContact CG-CD2 4.22Å; V547-L575 PolarHBondContact N-O 3.49Å; L575-V596 WeakPolarHBondContact CA-O 3.38Å; L575-V596 HydrophobicContact CB-CG2 4.08Å; L575-V596 HydrophobicContact CD1-CG2 3.92Å; L575-V596 HydrophobicContact CG-CG2 3.97Å; L575-T598 HydrophobicContact CD1-CG2 3.89Å; L575-T598 HydrophobicContact CD2-CG2 4.18Å; L575-T598 HydrophobicContact CG-CG2 4.03Å |
| 576 | T | 98.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 134.1 | 175.6 | 42.8 | 0 | 0 | 0 | 0 | 112.1 | V547 L560 L564 D578 G589 A594 V596 S597 T598 | V547-T576 HydrophobicContact CB-CG2 4.24Å; V547-T576 VanDerWaalsContact O-CA 3.28Å; V547-T576 WeakPolarHBondContact O-CA 3.41Å; L560-T576 HydrophobicContact CD1-CG2 4.05Å; L564-T576 HydrophobicContact CD1-CG2 4.13Å; L564-T576 HydrophobicContact CD2-CG2 3.9Å; T576-D578 PolarHBondContact OG1-OD2 2.93Å; T576-D578 VanDerWaalsContact OG1-OD2 3.11Å; T576-G589 WeakPolarHBondContact OG1-CA 3.26Å; T576-A594 HydrophobicContact CG2-CB 3.65Å; T576-V596 PolarHBondContact N-O 2.92Å; T576-V596 PolarHBondContact OG1-O 3.22Å; T576-V596 VanDerWaalsContact OG1-O 3.07Å; T576-S597 WeakPolarHBondContact OG1-CA 3.4Å; T576-S597 PolarHBondContact OG1-OG 3.06Å; T576-S597 VanDerWaalsContact OG1-OG 3.08Å; T576-T598 PolarHBondContact O-N 2.94Å; T576-T598 PolarHBondContact O-OG1 3.48Å |
| 577 | D | 98.2 | Very high | 94.1 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.032 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 100.6 | 166.7 | 179.4 | -6.1 | 0 | 0 | 0 | 108.6 | I486 V547 Q548 H549 N579 | I486-D577 HydrophobicContact CD1-CB 4.21Å; I486-D577 WeakPolarHBondContact CD1-OD2 3.4Å; V547-D577 PolarHBondContact O-N 3.42Å; Q548-D577 HydrophobicContact CG-CB 4.23Å; H549-D577 WeakPolarHBondContact CB-O 3.23Å; H549-D577 PolarHBondContact N-O 3.34Å; D577-N579 WeakPolarHBondContact OD1-CB 3.28Å; D577-N579 PolarHBondContact OD1-N 2.89Å; D577-N579 VanDerWaalsContact OD1-N 3.07Å; D577-N579 PolarHBondContact OD1-ND2 3.27Å |
| 578 | D | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -96.4 | 11.2 | -176.5 | -64.9 | -77.2 | 0 | 0 | 0 | 113 | H549 T576 Y580 A581 V582 I588 G589 S597 T598 | H549-D578 IonicContact CE1-OD1 2.79Å; H549-D578 IonicContact CG-OD1 3.98Å; H549-D578 IonicContact ND1-OD1 3.93Å; H549-D578 PolarHBondContact ND1-OD1 3.15Å; T576-D578 PolarHBondContact OG1-OD2 2.93Å; T576-D578 VanDerWaalsContact OG1-OD2 3.11Å; D578-Y580 PolarHBondContact O-N 3.48Å; D578-A581 WeakPolarHBondContact O-CB 3.12Å; D578-A581 PolarHBondContact O-N 2.76Å; D578-V582 HydrophobicContact CB-CG2 3.64Å; D578-V582 WeakPolarHBondContact O-CG2 3.29Å; D578-V582 PolarHBondContact O-N 3.43Å; D578-I588 HydrophobicContact CB-CB 4.42Å; D578-G589 PolarHBondContact OD1-N 3.28Å; D578-G589 VanDerWaalsContact OD1-N 3.11Å; D578-S597 WeakPolarHBondContact OD2-CA 3.45Å; D578-S597 WeakPolarHBondContact OD2-CB 3.39Å; D578-S597 PolarHBondContact OD2-OG 3.45Å; D578-T598 PolarHBondContact N-O 3.02Å | ||
| 579 | N | 94.6 | Very high | 94 | Very high | 10 Ų | 10 | 30.6 Ų | 30.6 | 5% | 0.053 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 132.5 | 178 | -76.4 | -89.5 | 0 | 0 | 0 | 110.8 | T550 D577 A581 S600 K603 | T550-N579 WeakPolarHBondContact CG2-O 3.41Å; D577-N579 WeakPolarHBondContact OD1-CB 3.28Å; D577-N579 PolarHBondContact OD1-N 2.89Å; D577-N579 VanDerWaalsContact OD1-N 3.07Å; D577-N579 PolarHBondContact OD1-ND2 3.27Å; N579-A581 PolarHBondContact O-N 2.67Å; N579-S600 VanDerWaalsContact OD1-CB 3.3Å; N579-S600 WeakPolarHBondContact OD1-CB 3.32Å; N579-S600 PolarHBondContact OD1-N 3.46Å; N579-K603 HydrophobicContact CB-CD 4.35Å; N579-K603 PolarHBondContact OD1-NZ 3.42Å |
| 580 | Y | 91.5 | Very high | 94.1 | Very high | 31 Ų | 31 | 27.1 Ų | 27.1 | 12% | 0.122 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | -1 | -173.1 | -47.2 | -67.6 | 0 | 0 | 0 | 117.2 | D578 K584 K603 Q684 G715 A716 | D578-Y580 PolarHBondContact O-N 3.48Å; Y580-K584 VanDerWaalsContact O-CD 3.29Å; Y580-K584 WeakPolarHBondContact O-CD 3.18Å; Y580-K584 WeakPolarHBondContact O-CE 3.4Å; Y580-K584 PolarHBondContact O-NZ 3.18Å; Y580-K584 VanDerWaalsContact O-NZ 3.16Å; Y580-K603 HydrophobicContact CD1-CD 4.06Å; Y580-K603 HydrophobicContact CE1-CB 4.49Å; Y580-K603 HydrophobicContact CE1-CD 3.56Å; Y580-K603 HydrophobicContact CE1-CG 4.11Å; Y580-K603 HydrophobicContact CE2-CD 4.37Å; Y580-K603 WeakPolarHBondContact OH-CE 3.33Å; Y580-Q684 HydrophobicContact CD2-CB 4.3Å; Y580-Q684 HydrophobicContact CE2-CB 4.35Å; Y580-G715 PolarHBondContact OH-O 3.21Å; Y580-A716 HydrophobicContact CE1-CB 3.82Å; Y580-A716 WeakPolarHBondContact OH-CB 3.43Å |
| 581 | A | 91.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 3% | 0.033 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -35.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | H549 T550 D578 N579 M583 K584 V585 | H549-A581 HydrophobicContact CB-CB 4.09Å; T550-A581 HydrophobicContact CG2-CB 4.32Å; D578-A581 WeakPolarHBondContact O-CB 3.12Å; D578-A581 PolarHBondContact O-N 2.76Å; N579-A581 PolarHBondContact O-N 2.67Å; A581-M583 PolarHBondContact O-N 2.9Å; A581-K584 WeakPolarHBondContact O-CB 3.49Å; A581-K584 PolarHBondContact O-N 3.44Å; A581-V585 HydrophobicContact CB-CG2 4.27Å; A581-V585 WeakPolarHBondContact O-CG2 3.34Å; A581-V585 PolarHBondContact O-N 3.14Å |
| 582 | V | 94 | Very high | 94.1 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 133.4 | 179.2 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | F470 D578 K584 I588 F599 L604 | F470-V582 HydrophobicContact CE1-CG1 3.97Å; F470-V582 HydrophobicContact CZ-CG1 3.59Å; D578-V582 HydrophobicContact CB-CG2 3.64Å; D578-V582 WeakPolarHBondContact O-CG2 3.29Å; D578-V582 PolarHBondContact O-N 3.43Å; V582-K584 PolarHBondContact O-N 2.91Å; V582-K584 VanDerWaalsContact O-N 3.1Å; V582-I588 HydrophobicContact CB-CG2 4.42Å; V582-I588 HydrophobicContact CG2-CG2 4.07Å; V582-F599 HydrophobicContact CG1-CE2 4.48Å; V582-F599 HydrophobicContact CG2-CB 3.67Å; V582-F599 HydrophobicContact CG2-CD1 3.64Å; V582-F599 HydrophobicContact CG2-CD2 4.2Å; V582-F599 HydrophobicContact CG2-CE1 4.27Å; V582-F599 HydrophobicContact CG2-CG 3.59Å; V582-L604 HydrophobicContact CB-CD1 3.87Å; V582-L604 HydrophobicContact CB-CD2 4.13Å; V582-L604 HydrophobicContact CG1-CD1 3.63Å; V582-L604 HydrophobicContact CG1-CD2 4.31Å; V582-L604 WeakPolarHBondContact O-CD2 3.36Å |
| 583 | M | 91.7 | Very high | 93.9 | Very high | 12 Ų | 12 | 24.8 Ų | 24.8 | 6% | 0.059 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 4.3 | -175.4 | -63.3 | -58.9 | -175.7 | 0 | 0 | 116.3 | K424 L428 F470 A581 L646 A649 P650 | K424-M583 HydrophobicContact CB-SD 4.49Å; K424-M583 HydrophobicContact CD-SD 4.4Å; L428-M583 HydrophobicContact CD2-CE 3.94Å; F470-M583 HydrophobicContact CE1-CE 4.08Å; F470-M583 HydrophobicContact CZ-CE 3.73Å; A581-M583 PolarHBondContact O-N 2.9Å; M583-L646 HydrophobicContact CE-CB 4.45Å; M583-L646 HydrophobicContact CE-CD2 3.86Å; M583-L646 HydrophobicContact CE-CG 4.04Å; M583-A649 HydrophobicContact CB-CB 3.89Å; M583-A649 HydrophobicContact CG-CB 4.07Å; M583-P650 HydrophobicContact CB-CB 4.1Å; M583-P650 WeakPolarHBondContact O-CA 3.46Å; M583-P650 HydrophobicContact SD-CB 4.41Å; M583-P650 HydrophobicContact SD-CG 4.33Å |
| 584 | K | 86.6 | Confident | 93.9 | Very high | 65 Ų | 65 | 23 Ų | 23 | 28% | 0.283 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -17.3 | 174.9 | -53.7 | -166.6 | -161.4 | 162.8 | 0 | 114.1 | Y580 A581 V582 H653 S685 E717 | Y580-K584 VanDerWaalsContact O-CD 3.29Å; Y580-K584 WeakPolarHBondContact O-CD 3.18Å; Y580-K584 WeakPolarHBondContact O-CE 3.4Å; Y580-K584 PolarHBondContact O-NZ 3.18Å; Y580-K584 VanDerWaalsContact O-NZ 3.16Å; A581-K584 WeakPolarHBondContact O-CB 3.49Å; A581-K584 PolarHBondContact O-N 3.44Å; V582-K584 PolarHBondContact O-N 2.91Å; V582-K584 VanDerWaalsContact O-N 3.1Å; K584-H653 HydrophobicContact CD-CB 4.15Å; K584-H653 VanDerWaalsContact CE-CE1 3.49Å; K584-H653 WeakPolarHBondContact CE-CE1 3.31Å; K584-H653 WeakPolarHBondContact CE-ND1 3.37Å; K584-H653 HydrophobicContact CG-CB 3.87Å; K584-S685 PolarHBondContact NZ-OG 3.3Å; K584-E717 VanDerWaalsContact CE-OE2 3.29Å; K584-E717 WeakPolarHBondContact CE-OE2 3.47Å; K584-E717 IonicContact NZ-OE1 2.97Å; K584-E717 PolarHBondContact NZ-OE1 3.37Å; K584-E717 IonicContact NZ-OE2 2.75Å; K584-E717 PolarHBondContact NZ-OE2 3.3Å |
| 585 | V | 84.6 | Confident | 93.9 | Very high | 52 Ų | 52 | 24.2 Ų | 24.2 | 32% | 0.315 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -123.1 | 160.7 | -179.4 | -56.5 | 0 | 0 | 0 | 0 | 110.4 | K424 A581 R587 | K424-V585 WeakPolarHBondContact CE-O 3.23Å; A581-V585 HydrophobicContact CB-CG2 4.27Å; A581-V585 WeakPolarHBondContact O-CG2 3.34Å; A581-V585 PolarHBondContact O-N 3.14Å; V585-R587 WeakPolarHBondContact CG2-O 3.4Å; V585-R587 PolarHBondContact O-N 3.06Å |
| 586 | A | 82.9 | Confident | 93.9 | Very high | 75 Ų | 75 | 24.2 Ų | 24.2 | 62% | 0.62 | 13% | 0.134 | S | C | * | . | S | Bend | trans | -60.9 | -42.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K424 | K424-A586 VanDerWaalsContact CE-O 3.32Å; K424-A586 WeakPolarHBondContact CE-O 3.36Å; K424-A586 PolarHBondContact NZ-O 3.22Å |
| 587 | R | 88.6 | Confident | 93.9 | Very high | 133 Ų | 133 | 24.2 Ų | 24.2 | 50% | 0.502 | 13% | 0.134 | S | C | . | . | trans | -138 | 131.5 | -176 | -66.8 | -173.6 | -65.3 | 158.2 | -1.9 | 111.2 | H549 V585 E591 C592 | H549-R587 PolarHBondContact CE1-O 3.33Å; H549-R587 VanDerWaalsContact CE1-O 3.31Å; V585-R587 WeakPolarHBondContact CG2-O 3.4Å; V585-R587 PolarHBondContact O-N 3.06Å; R587-E591 VanDerWaalsContact CA-OE2 3.31Å; R587-E591 WeakPolarHBondContact CA-OE2 3.43Å; R587-E591 HydrophobicContact CB-CB 3.86Å; R587-E591 HydrophobicContact CG-CB 4.11Å; R587-C592 HydrophobicContact CB-CB 4.29Å | ||
| 588 | I | 94.9 | Very high | 94 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | trans | -85.9 | 175.2 | 167.6 | 69.9 | 172.9 | 0 | 0 | 0 | 110.4 | F470 D578 V582 C590 E591 C592 F599 | F470-I588 HydrophobicContact CB-CD1 4.19Å; F470-I588 HydrophobicContact CD1-CD1 3.59Å; F470-I588 HydrophobicContact CD1-CG1 4.11Å; F470-I588 HydrophobicContact CD2-CD1 4.42Å; F470-I588 HydrophobicContact CE1-CD1 3.99Å; F470-I588 HydrophobicContact CG-CD1 3.84Å; D578-I588 HydrophobicContact CB-CB 4.42Å; V582-I588 HydrophobicContact CB-CG2 4.42Å; V582-I588 HydrophobicContact CG2-CG2 4.07Å; I588-C590 PolarHBondContact O-N 3.08Å; I588-E591 HydrophobicContact CG1-CG 4.09Å; I588-E591 WeakPolarHBondContact CG1-OE2 3.5Å; I588-E591 PolarHBondContact N-OE2 3.24Å; I588-E591 WeakPolarHBondContact O-CB 3.35Å; I588-E591 PolarHBondContact O-N 2.89Å; I588-C592 PolarHBondContact O-N 3.34Å; I588-C592 PolarHBondContact O-SG 3.44Å; I588-F599 HydrophobicContact CD1-CE1 4.29Å | ||
| 589 | G | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -52.3 | -47.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | T576 D578 E591 C592 G593 A594 S597 | T576-G589 WeakPolarHBondContact OG1-CA 3.26Å; D578-G589 PolarHBondContact OD1-N 3.28Å; D578-G589 VanDerWaalsContact OD1-N 3.11Å; G589-E591 PolarHBondContact O-N 3.34Å; G589-C592 CarbonylContact O-C 3.55Å; G589-C592 PolarHBondContact O-N 2.88Å; G589-G593 PolarHBondContact O-N 3.26Å; G589-A594 VanDerWaalsContact C-CB 3.41Å; G589-A594 WeakPolarHBondContact O-CB 3.34Å; G589-A594 PolarHBondContact O-N 3.49Å; G589-S597 WeakPolarHBondContact CA-OG 3.48Å; G589-S597 PolarHBondContact N-OG 3.24Å; G589-S597 VanDerWaalsContact N-OG 3.16Å |
| 590 | C | 98.2 | Very high | 94.2 | Very high | 20 Ų | 20 | 23.8 Ų | 23.8 | 14% | 0.135 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.8 | -25.4 | 179.3 | 66.1 | 0 | 0 | 0 | 0 | 113.1 | I588 C592 S597 | I588-C590 PolarHBondContact O-N 3.08Å; C590-C592 VanDerWaalsContact C-N 3.31Å; C590-S597 PolarHBondContact N-OG 3.24Å |
| 591 | E | 96.4 | Very high | 94.5 | Very high | 27 Ų | 27 | 22.3 Ų | 22.3 | 13% | 0.126 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -81.8 | -8.2 | 176.2 | -60.9 | 178.7 | 110 | 0 | 0 | 112.9 | F470 H471 R587 I588 G589 | F470-E591 HydrophobicContact CB-CG 4.48Å; F470-E591 WeakPolarHBondContact O-CG 3.46Å; H471-E591 HydrophobicContact CB-CG 4.42Å; H471-E591 IonicContact CE1-OE1 2.67Å; H471-E591 PolarHBondContact CE1-OE1 3.16Å; H471-E591 IonicContact ND1-OE1 3.83Å; H471-E591 PolarHBondContact ND1-OE1 3.3Å; R587-E591 VanDerWaalsContact CA-OE2 3.31Å; R587-E591 WeakPolarHBondContact CA-OE2 3.43Å; R587-E591 HydrophobicContact CB-CB 3.86Å; R587-E591 HydrophobicContact CG-CB 4.11Å; I588-E591 HydrophobicContact CG1-CG 4.09Å; I588-E591 WeakPolarHBondContact CG1-OE2 3.5Å; I588-E591 PolarHBondContact N-OE2 3.24Å; I588-E591 WeakPolarHBondContact O-CB 3.35Å; I588-E591 PolarHBondContact O-N 2.89Å; G589-E591 PolarHBondContact O-N 3.34Å |
| 592 | C | 94.8 | Very high | 94.8 | Very high | 19 Ų | 19 | 23.2 Ų | 23.2 | 13% | 0.128 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -136.5 | 18 | -176.3 | 65.6 | 0 | 0 | 0 | 0 | 115.3 | A561 R587 I588 G589 C590 | A561-C592 HydrophobicContact CB-CB 4.03Å; R587-C592 HydrophobicContact CB-CB 4.29Å; I588-C592 PolarHBondContact O-N 3.34Å; I588-C592 PolarHBondContact O-SG 3.44Å; G589-C592 CarbonylContact O-C 3.55Å; G589-C592 PolarHBondContact O-N 2.88Å; C590-C592 VanDerWaalsContact C-N 3.31Å |
| 593 | G | 95.3 | Very high | 94.9 | Very high | 20 Ų | 20 | 24.1 Ų | 24.1 | 21% | 0.206 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 125.1 | -2.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | R568 G589 | R568-G593 VanDerWaalsContact CZ-O 3.29Å; R568-G593 PolarHBondContact NE-O 3.32Å; R568-G593 PolarHBondContact NH2-O 3.03Å; G589-G593 PolarHBondContact O-N 3.26Å |
| 594 | A | 98.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 3% | 0.025 | 13% | 0.132 | C | C | . | . | trans | -73.7 | 152.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L564 T576 G589 | L564-A594 HydrophobicContact CD1-CB 4.02Å; L564-A594 HydrophobicContact CD2-CB 3.88Å; T576-A594 HydrophobicContact CG2-CB 3.65Å; G589-A594 VanDerWaalsContact C-CB 3.41Å; G589-A594 WeakPolarHBondContact O-CB 3.34Å; G589-A594 PolarHBondContact O-N 3.49Å | ||
| 595 | N | 98.7 | Very high | 95.6 | Very high | 29 Ų | 29 | 21.9 Ų | 21.9 | 16% | 0.155 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -73.6 | -38.1 | 172.3 | -64.3 | 88.9 | 0 | 0 | 0 | 111 | P573 A574 G615 D616 | P573-N595 VanDerWaalsContact CA-OD1 3.26Å; P573-N595 WeakPolarHBondContact CA-OD1 3.22Å; A574-N595 PolarHBondContact N-OD1 3.47Å; A574-N595 PolarHBondContact O-N 3.27Å; N595-G615 CarbonylContact O-C 3.54Å; N595-G615 VanDerWaalsContact O-CA 3.28Å; N595-G615 WeakPolarHBondContact O-CA 3.48Å; N595-D616 WeakPolarHBondContact CA-OD2 3.32Å; N595-D616 WeakPolarHBondContact CB-OD2 3.35Å; N595-D616 PolarHBondContact ND2-OD2 3.36Å; N595-D616 PolarHBondContact O-N 3.39Å |
| 596 | V | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 141.4 | 174.6 | -72.1 | 0 | 0 | 0 | 0 | 112.2 | L493 A574 L575 T576 V613 V614 V619 I620 | L493-V596 HydrophobicContact CD1-CG2 4.16Å; A574-V596 PolarHBondContact O-N 3.22Å; L575-V596 WeakPolarHBondContact CA-O 3.38Å; L575-V596 HydrophobicContact CB-CG2 4.08Å; L575-V596 HydrophobicContact CD1-CG2 3.92Å; L575-V596 HydrophobicContact CG-CG2 3.97Å; T576-V596 PolarHBondContact N-O 2.92Å; T576-V596 PolarHBondContact OG1-O 3.22Å; T576-V596 VanDerWaalsContact OG1-O 3.07Å; V596-V613 HydrophobicContact CB-CG1 3.93Å; V596-V613 HydrophobicContact CG1-CG1 3.99Å; V596-V613 HydrophobicContact CG2-CG1 4.48Å; V596-V614 CarbonylContact C-O 3.49Å; V596-V614 WeakPolarHBondContact CA-O 3.27Å; V596-V619 HydrophobicContact CG1-CB 3.8Å; V596-V619 HydrophobicContact CG1-CG1 3.6Å; V596-V619 HydrophobicContact CG1-CG2 4.25Å; V596-V619 HydrophobicContact CG2-CG1 4.38Å; V596-I620 HydrophobicContact CG1-CD1 4.33Å |
| 597 | S | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 142.9 | 167.3 | -87.6 | 0 | 0 | 0 | 0 | 110.5 | T576 D578 G589 C590 V613 V614 | T576-S597 WeakPolarHBondContact OG1-CA 3.4Å; T576-S597 PolarHBondContact OG1-OG 3.06Å; T576-S597 VanDerWaalsContact OG1-OG 3.08Å; D578-S597 WeakPolarHBondContact OD2-CA 3.45Å; D578-S597 WeakPolarHBondContact OD2-CB 3.39Å; D578-S597 PolarHBondContact OD2-OG 3.45Å; G589-S597 WeakPolarHBondContact CA-OG 3.48Å; G589-S597 PolarHBondContact N-OG 3.24Å; G589-S597 VanDerWaalsContact N-OG 3.16Å; C590-S597 PolarHBondContact N-OG 3.24Å; S597-V613 WeakPolarHBondContact O-CA 3.46Å; S597-V614 PolarHBondContact N-O 2.74Å; S597-V614 PolarHBondContact O-N 2.89Å |
| 598 | T | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 135.8 | 179.9 | 63.3 | 0 | 0 | 0 | 0 | 111.6 | A485 I486 L575 T576 D578 A612 V613 | A485-T598 HydrophobicContact CB-CG2 4.3Å; I486-T598 VanDerWaalsContact CG1-OG1 3.32Å; I486-T598 WeakPolarHBondContact CG1-OG1 3.46Å; L575-T598 HydrophobicContact CD1-CG2 3.89Å; L575-T598 HydrophobicContact CD2-CG2 4.18Å; L575-T598 HydrophobicContact CG-CG2 4.03Å; T576-T598 PolarHBondContact O-N 2.94Å; T576-T598 PolarHBondContact O-OG1 3.48Å; D578-T598 PolarHBondContact N-O 3.02Å; T598-A612 WeakPolarHBondContact CA-O 3.36Å; T598-V613 HydrophobicContact CG2-CG1 4.19Å; T598-V613 HydrophobicContact CG2-CG2 4.23Å |
| 599 | F | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 159.1 | 179.4 | 53.4 | -90.8 | 0 | 0 | 0 | 112.9 | F470 V582 I588 L604 G611 A612 V614 | F470-F599 HydrophobicContact CD2-CZ 4.49Å; F470-F599 HydrophobicContact CE2-CE1 4.41Å; F470-F599 AromaticContact CE2-CZ 3.86Å; F470-F599 HydrophobicContact CE2-CZ 3.86Å; F470-F599 HydrophobicContact CZ-CZ 4.39Å; V582-F599 HydrophobicContact CG1-CE2 4.48Å; V582-F599 HydrophobicContact CG2-CB 3.67Å; V582-F599 HydrophobicContact CG2-CD1 3.64Å; V582-F599 HydrophobicContact CG2-CD2 4.2Å; V582-F599 HydrophobicContact CG2-CE1 4.27Å; V582-F599 HydrophobicContact CG2-CG 3.59Å; I588-F599 HydrophobicContact CD1-CE1 4.29Å; F599-L604 HydrophobicContact CD2-CD1 3.65Å; F599-L604 HydrophobicContact CE2-CD1 3.96Å; F599-G611 CarbonylContact O-C 3.45Å; F599-G611 WeakPolarHBondContact O-CA 3.36Å; F599-A612 HydrophobicContact CD2-CB 4.04Å; F599-A612 HydrophobicContact CE1-CB 4.06Å; F599-A612 HydrophobicContact CE2-CB 3.49Å; F599-A612 VanDerWaalsContact CE2-CB 3.49Å; F599-A612 HydrophobicContact CZ-CB 3.51Å; F599-A612 PolarHBondContact N-O 3.28Å; F599-A612 VanDerWaalsContact N-O 3.16Å; F599-A612 PolarHBondContact O-N 3.04Å; F599-V614 HydrophobicContact CE1-CG2 3.78Å; F599-V614 HydrophobicContact CZ-CG2 3.96Å |
| 600 | S | 98.5 | Very high | 97.6 | Very high | 5 Ų | 5 | 15.1 Ų | 15.1 | 4% | 0.035 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 125.6 | 170.6 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | N579 F602 K603 | N579-S600 VanDerWaalsContact OD1-CB 3.3Å; N579-S600 WeakPolarHBondContact OD1-CB 3.32Å; N579-S600 PolarHBondContact OD1-N 3.46Å; S600-F602 VanDerWaalsContact C-N 3.26Å; S600-F602 PolarHBondContact O-N 3.48Å; S600-F602 PolarHBondContact OG-N 2.73Å; S600-K603 PolarHBondContact O-N 3.23Å |
| 601 | C | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -70.3 | -27 | 172.6 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | K603 L604 G606 V610 V642 | C601-K603 PolarHBondContact O-N 2.98Å; C601-L604 CarbonylContact O-C 3.56Å; C601-L604 WeakPolarHBondContact O-CA 3.25Å; C601-L604 PolarHBondContact O-N 3.29Å; C601-G606 VanDerWaalsContact O-CA 3.29Å; C601-G606 WeakPolarHBondContact O-CA 3.43Å; C601-G606 PolarHBondContact O-N 3.1Å; C601-V610 HydrophobicContact CB-CB 4.36Å; C601-V610 HydrophobicContact CB-CG1 4.31Å; C601-V610 WeakPolarHBondContact CB-O 3.38Å; C601-V610 PolarHBondContact N-O 3.09Å; C601-V642 HydrophobicContact CB-CB 4.49Å; C601-V642 HydrophobicContact CB-CG1 4.08Å; C601-V642 HydrophobicContact CB-CG2 3.81Å |
| 602 | F | 97.8 | Very high | 97.8 | Very high | 24 Ų | 24 | 12.9 Ų | 12.9 | 11% | 0.105 | 8% | 0.077 | C | C | . | . | G | 310 helix | trans | -63 | -27.6 | 176.8 | -170.6 | -128.7 | 0 | 0 | 0 | 113.5 | S600 L604 G606 E608 V714 S718 Y720 | S600-F602 VanDerWaalsContact C-N 3.26Å; S600-F602 PolarHBondContact O-N 3.48Å; S600-F602 PolarHBondContact OG-N 2.73Å; F602-L604 PolarHBondContact O-N 2.93Å; F602-G606 WeakPolarHBondContact CD2-O 3.42Å; F602-E608 HydrophobicContact CD2-CG 4.01Å; F602-E608 HydrophobicContact CE2-CG 3.56Å; F602-E608 HydrophobicContact CZ-CG 3.87Å; F602-V714 HydrophobicContact CE1-CG1 4.07Å; F602-V714 HydrophobicContact CZ-CG1 3.98Å; F602-S718 VanDerWaalsContact O-CA 3.31Å; F602-S718 WeakPolarHBondContact O-CA 3.27Å; F602-S718 WeakPolarHBondContact O-CB 3.43Å; F602-Y720 HydrophobicContact CE2-CD2 4.05Å; F602-Y720 AromaticContact CE2-CE2 3.74Å; F602-Y720 HydrophobicContact CE2-CE2 3.74Å; F602-Y720 AromaticContact CZ-CD2 3.85Å; F602-Y720 HydrophobicContact CZ-CD2 3.85Å; F602-Y720 AromaticContact CZ-CE2 3.79Å; F602-Y720 HydrophobicContact CZ-CE2 3.79Å |
| 603 | K | 95.2 | Very high | 98 | Very high | 21 Ų | 21 | 12 Ų | 12 | 9% | 0.091 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -81.5 | 0 | 172.9 | -64.5 | 176.1 | 179.8 | 151.5 | 0 | 113.6 | N579 Y580 S600 C601 G715 | N579-K603 HydrophobicContact CB-CD 4.35Å; N579-K603 PolarHBondContact OD1-NZ 3.42Å; Y580-K603 HydrophobicContact CD1-CD 4.06Å; Y580-K603 HydrophobicContact CE1-CB 4.49Å; Y580-K603 HydrophobicContact CE1-CD 3.56Å; Y580-K603 HydrophobicContact CE1-CG 4.11Å; Y580-K603 HydrophobicContact CE2-CD 4.37Å; Y580-K603 WeakPolarHBondContact OH-CE 3.33Å; S600-K603 PolarHBondContact O-N 3.23Å; C601-K603 PolarHBondContact O-N 2.98Å; K603-G715 WeakPolarHBondContact CE-O 3.2Å |
| 604 | L | 96.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 11 Ų | 11 | 3% | 0.026 | 6% | 0.061 | C | C | . | . | G | 310 helix | trans | -123.7 | 39.5 | -179.2 | -61.3 | 167.1 | 0 | 0 | 0 | 109.4 | V582 F599 C601 F602 G606 G645 L646 A649 | V582-L604 HydrophobicContact CB-CD1 3.87Å; V582-L604 HydrophobicContact CB-CD2 4.13Å; V582-L604 HydrophobicContact CG1-CD1 3.63Å; V582-L604 HydrophobicContact CG1-CD2 4.31Å; V582-L604 WeakPolarHBondContact O-CD2 3.36Å; F599-L604 HydrophobicContact CD2-CD1 3.65Å; F599-L604 HydrophobicContact CE2-CD1 3.96Å; C601-L604 CarbonylContact O-C 3.56Å; C601-L604 WeakPolarHBondContact O-CA 3.25Å; C601-L604 PolarHBondContact O-N 3.29Å; F602-L604 PolarHBondContact O-N 2.93Å; L604-G606 PolarHBondContact O-N 3.25Å; L604-G645 CarbonylContact O-C 3.52Å; L604-G645 WeakPolarHBondContact O-CA 3.45Å; L604-L646 HydrophobicContact CB-CD1 3.8Å; L604-L646 HydrophobicContact CD1-CD1 3.67Å; L604-L646 HydrophobicContact CG-CD1 4.36Å; L604-A649 HydrophobicContact CB-CB 4.49Å; L604-A649 HydrophobicContact CD2-CB 4.18Å |
| 605 | F | 97 | Very high | 98.1 | Very high | 25 Ų | 25 | 11 Ų | 11 | 11% | 0.11 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 12 | -177 | -43.8 | -43.1 | 0 | 0 | 0 | 115.9 | F648 A649 M652 E717 K719 | F605-F648 HydrophobicContact CD2-CB 3.93Å; F605-F648 HydrophobicContact CE2-CB 4.36Å; F605-A649 HydrophobicContact CD2-CB 4.38Å; F605-A649 HydrophobicContact CE2-CB 4.37Å; F605-M652 HydrophobicContact CE2-CB 3.84Å; F605-M652 HydrophobicContact CE2-CG 4.19Å; F605-M652 HydrophobicContact CZ-CB 4.08Å; F605-E717 VanDerWaalsContact CD1-O 3.28Å; F605-E717 WeakPolarHBondContact CD1-O 3.43Å; F605-E717 WeakPolarHBondContact CE1-O 3.4Å; F605-K719 HydrophobicContact CB-CB 4.36Å |
| 606 | G | 97.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | trans | -82.5 | -169.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | C601 F602 L604 | C601-G606 VanDerWaalsContact O-CA 3.29Å; C601-G606 WeakPolarHBondContact O-CA 3.43Å; C601-G606 PolarHBondContact O-N 3.1Å; F602-G606 WeakPolarHBondContact CD2-O 3.42Å; L604-G606 PolarHBondContact O-N 3.25Å | ||
| 607 | P | 97.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 12.7 Ų | 12.7 | 2% | 0.019 | 7% | 0.074 | C | C | . | . | trans | -75.6 | 155.1 | -177.9 | 30.8 | -36.3 | 0 | 0 | 0 | 113.2 | V610 Q638 E641 V642 | P607-V610 HydrophobicContact CB-CG2 4.19Å; P607-V610 HydrophobicContact CG-CB 3.93Å; P607-V610 HydrophobicContact CG-CG2 3.57Å; P607-Q638 HydrophobicContact CG-CB 4.22Å; P607-Q638 WeakPolarHBondContact CG-O 3.18Å; P607-E641 HydrophobicContact CB-CB 4.36Å; P607-E641 HydrophobicContact CB-CG 4.3Å; P607-E641 HydrophobicContact CG-CB 4.21Å; P607-E641 HydrophobicContact CG-CG 4.48Å; P607-V642 HydrophobicContact CG-CG2 3.89Å | ||
| 608 | E | 98.3 | Very high | 98.1 | Very high | 85 Ų | 85 | 16.5 Ų | 16.5 | 40% | 0.397 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 140.2 | 173.2 | -71.2 | 87.5 | 147 | 0 | 0 | 112.3 | F602 V610 K719 Y720 | F602-E608 HydrophobicContact CD2-CG 4.01Å; F602-E608 HydrophobicContact CE2-CG 3.56Å; F602-E608 HydrophobicContact CZ-CG 3.87Å; E608-V610 PolarHBondContact O-N 3.46Å; E608-V610 VanDerWaalsContact O-N 3.16Å; E608-K719 IonicContact OE2-NZ 3.57Å; E608-K719 PolarHBondContact OE2-NZ 3.06Å; E608-Y720 WeakPolarHBondContact OE1-CE2 3.41Å; E608-Y720 PolarHBondContact OE1-OH 3.4Å |
| 609 | G | 97.5 | Very high | 98.1 | Very high | 30 Ų | 30 | 16.5 Ų | 16.5 | 31% | 0.309 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | -3.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q479 G480 A481 | Q479-G609 CarbonylContact C-O 3.56Å; G480-G609 PolarHBondContact N-O 2.87Å; A481-G609 PolarHBondContact N-O 2.93Å |
| 610 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 127.7 | -178.9 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | L477 C601 P607 E608 I634 Q638 V642 | L477-V610 HydrophobicContact CB-CG1 4.43Å; L477-V610 HydrophobicContact CD2-CG1 4.05Å; C601-V610 HydrophobicContact CB-CB 4.36Å; C601-V610 HydrophobicContact CB-CG1 4.31Å; C601-V610 WeakPolarHBondContact CB-O 3.38Å; C601-V610 PolarHBondContact N-O 3.09Å; P607-V610 HydrophobicContact CB-CG2 4.19Å; P607-V610 HydrophobicContact CG-CB 3.93Å; P607-V610 HydrophobicContact CG-CG2 3.57Å; E608-V610 PolarHBondContact O-N 3.46Å; E608-V610 VanDerWaalsContact O-N 3.16Å; V610-I634 HydrophobicContact CG1-CD1 4.3Å; V610-I634 HydrophobicContact CG1-CG1 4.12Å; V610-I634 HydrophobicContact CG1-CG2 4.15Å; V610-I634 HydrophobicContact CG2-CD1 3.93Å; V610-I634 HydrophobicContact CG2-CG1 4.47Å; V610-I634 HydrophobicContact CG2-CG2 4.12Å; V610-Q638 HydrophobicContact CG2-CB 4.41Å; V610-V642 HydrophobicContact CB-CG2 4.43Å; V610-V642 HydrophobicContact CG1-CG2 3.78Å |
| 611 | G | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 163.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L477 V478 A481 F599 | L477-G611 WeakPolarHBondContact CA-O 3.35Å; V478-G611 PolarHBondContact N-O 2.86Å; V478-G611 PolarHBondContact O-N 3.45Å; A481-G611 WeakPolarHBondContact O-CA 3.48Å; F599-G611 CarbonylContact O-C 3.45Å; F599-G611 WeakPolarHBondContact O-CA 3.36Å |
| 612 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 141 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L466 L477 A485 T598 F599 V614 | L466-A612 HydrophobicContact CD1-CB 4.44Å; L477-A612 HydrophobicContact CD2-CB 3.88Å; A485-A612 WeakPolarHBondContact CB-O 3.28Å; T598-A612 WeakPolarHBondContact CA-O 3.36Å; F599-A612 HydrophobicContact CD2-CB 4.04Å; F599-A612 HydrophobicContact CE1-CB 4.06Å; F599-A612 HydrophobicContact CE2-CB 3.49Å; F599-A612 VanDerWaalsContact CE2-CB 3.49Å; F599-A612 HydrophobicContact CZ-CB 3.51Å; F599-A612 PolarHBondContact N-O 3.28Å; F599-A612 VanDerWaalsContact N-O 3.16Å; F599-A612 PolarHBondContact O-N 3.04Å; A612-V614 HydrophobicContact CB-CG2 4.31Å |
| 613 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.1 | 164.2 | -170.6 | 0 | 0 | 0 | 0 | 107.3 | A475 A476 A485 A488 V596 S597 T598 I620 I623 | A475-V613 CarbonylContact C-O 3.53Å; A475-V613 WeakPolarHBondContact CA-O 3.43Å; A476-V613 PolarHBondContact N-O 3.4Å; A476-V613 PolarHBondContact O-N 2.89Å; A485-V613 HydrophobicContact CB-CG2 3.88Å; A485-V613 WeakPolarHBondContact O-CG2 3.42Å; A488-V613 HydrophobicContact CB-CG2 4.42Å; V596-V613 HydrophobicContact CB-CG1 3.93Å; V596-V613 HydrophobicContact CG1-CG1 3.99Å; V596-V613 HydrophobicContact CG2-CG1 4.48Å; S597-V613 WeakPolarHBondContact O-CA 3.46Å; T598-V613 HydrophobicContact CG2-CG1 4.19Å; T598-V613 HydrophobicContact CG2-CG2 4.23Å; V613-I620 HydrophobicContact CB-CD1 4.04Å; V613-I620 HydrophobicContact CG1-CD1 3.72Å; V613-I620 WeakPolarHBondContact O-CD1 3.38Å; V613-I623 HydrophobicContact CB-CD1 3.99Å; V613-I623 HydrophobicContact CG1-CD1 3.64Å; V613-I623 HydrophobicContact CG2-CD1 4.09Å |
| 614 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 129.4 | -174 | -173.2 | 0 | 0 | 0 | 0 | 109.1 | F470 A472 A475 V596 S597 F599 A612 | F470-V614 HydrophobicContact CB-CG1 4.05Å; F470-V614 HydrophobicContact CD2-CG1 4.46Å; A472-V614 HydrophobicContact CB-CG1 3.55Å; A475-V614 HydrophobicContact CB-CB 4.36Å; A475-V614 HydrophobicContact CB-CG1 4.25Å; A475-V614 HydrophobicContact CB-CG2 3.91Å; V596-V614 CarbonylContact C-O 3.49Å; V596-V614 WeakPolarHBondContact CA-O 3.27Å; S597-V614 PolarHBondContact N-O 2.74Å; S597-V614 PolarHBondContact O-N 2.89Å; F599-V614 HydrophobicContact CE1-CG2 3.78Å; F599-V614 HydrophobicContact CZ-CG2 3.96Å; A612-V614 HydrophobicContact CB-CG2 4.31Å |
| 615 | G | 98.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 30 Ų | 30 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.9 | -140.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q473 A474 N595 | Q473-G615 PolarHBondContact N-O 3.24Å; A474-G615 PolarHBondContact N-O 3.46Å; A474-G615 PolarHBondContact O-N 2.96Å; N595-G615 CarbonylContact O-C 3.54Å; N595-G615 VanDerWaalsContact O-CA 3.28Å; N595-G615 WeakPolarHBondContact O-CA 3.48Å |
| 616 | D | 98.7 | Very high | 98.4 | Very high | 36 Ų | 36 | 33.5 Ų | 33.5 | 19% | 0.193 | 19% | 0.193 | C | C | . | . | trans | -65.1 | 135.1 | -175.8 | -66.4 | -22.5 | 0 | 0 | 0 | 112 | N595 D618 V619 I620 | N595-D616 WeakPolarHBondContact CA-OD2 3.32Å; N595-D616 WeakPolarHBondContact CB-OD2 3.35Å; N595-D616 PolarHBondContact ND2-OD2 3.36Å; N595-D616 PolarHBondContact O-N 3.39Å; D616-D618 VanDerWaalsContact C-N 3.29Å; D616-D618 WeakPolarHBondContact CB-OD1 3.21Å; D616-D618 PolarHBondContact O-N 2.86Å; D616-V619 HydrophobicContact CB-CG2 4.22Å; D616-V619 PolarHBondContact O-N 3.28Å; D616-I620 WeakPolarHBondContact O-CG1 3.43Å; D616-I620 PolarHBondContact O-N 3.2Å; D616-I620 VanDerWaalsContact O-N 3.11Å | ||
| 617 | A | 98.5 | Very high | 98.3 | Very high | 29 Ų | 29 | 34.4 Ų | 34.4 | 24% | 0.24 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | -33.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q473 A474 I620 N621 | Q473-A617 HydrophobicContact CB-CB 3.94Å; A474-A617 HydrophobicContact CB-CB 4.28Å; A617-I620 PolarHBondContact O-N 3.11Å; A617-N621 VanDerWaalsContact O-CB 3.24Å; A617-N621 WeakPolarHBondContact O-CB 3.43Å; A617-N621 PolarHBondContact O-N 3.4Å; A617-N621 PolarHBondContact O-ND2 3.4Å |
| 618 | D | 98.4 | Very high | 98.1 | Very high | 80 Ų | 80 | 43.3 Ų | 43.3 | 43% | 0.428 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.9 | -39.6 | 179 | 75.4 | -52.1 | 0 | 0 | 0 | 111.8 | D616 R622 | D616-D618 VanDerWaalsContact C-N 3.29Å; D616-D618 WeakPolarHBondContact CB-OD1 3.21Å; D616-D618 PolarHBondContact O-N 2.86Å; D618-R622 WeakPolarHBondContact O-CG 3.46Å; D618-R622 PolarHBondContact O-N 3.49Å; D618-R622 VanDerWaalsContact O-N 3.17Å; D618-R622 PolarHBondContact O-NH1 2.93Å; D618-R622 IonicContact OD2-CZ 3.4Å; D618-R622 VanDerWaalsContact OD2-CZ 3.31Å; D618-R622 IonicContact OD2-NH1 3.13Å; D618-R622 PolarHBondContact OD2-NH1 3.19Å; D618-R622 IonicContact OD2-NH2 3.24Å; D618-R622 PolarHBondContact OD2-NH2 2.86Å |
| 619 | V | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.3 | -48 | 175.1 | -172.5 | 0 | 0 | 0 | 0 | 110.2 | A492 L493 V596 D616 N621 R622 I623 | A492-V619 HydrophobicContact CB-CG1 3.75Å; L493-V619 HydrophobicContact CD2-CG1 4.09Å; L493-V619 HydrophobicContact CD2-CG2 3.78Å; L493-V619 HydrophobicContact CG-CG1 4.41Å; V596-V619 HydrophobicContact CG1-CB 3.8Å; V596-V619 HydrophobicContact CG1-CG1 3.6Å; V596-V619 HydrophobicContact CG1-CG2 4.25Å; V596-V619 HydrophobicContact CG2-CG1 4.38Å; D616-V619 HydrophobicContact CB-CG2 4.22Å; D616-V619 PolarHBondContact O-N 3.28Å; V619-N621 VanDerWaalsContact C-N 3.32Å; V619-N621 PolarHBondContact O-N 3.05Å; V619-R622 WeakPolarHBondContact O-CB 3.26Å; V619-R622 PolarHBondContact O-N 3.16Å; V619-I623 HydrophobicContact CG1-CD1 4.38Å; V619-I623 WeakPolarHBondContact O-CG1 3.24Å; V619-I623 PolarHBondContact O-N 3.08Å |
| 620 | I | 98.7 | Very high | 97.8 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.015 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.6 | -39.7 | -179.8 | -61 | -56.1 | 0 | 0 | 0 | 111.5 | A474 A475 A476 V596 V613 D616 A617 R622 I623 R624 | A474-I620 HydrophobicContact CB-CB 3.8Å; A474-I620 HydrophobicContact CB-CG1 3.87Å; A474-I620 HydrophobicContact CB-CG2 3.81Å; A475-I620 WeakPolarHBondContact O-CG2 3.41Å; A476-I620 HydrophobicContact CB-CG2 4Å; V596-I620 HydrophobicContact CG1-CD1 4.33Å; V613-I620 HydrophobicContact CB-CD1 4.04Å; V613-I620 HydrophobicContact CG1-CD1 3.72Å; V613-I620 WeakPolarHBondContact O-CD1 3.38Å; D616-I620 WeakPolarHBondContact O-CG1 3.43Å; D616-I620 PolarHBondContact O-N 3.2Å; D616-I620 VanDerWaalsContact O-N 3.11Å; A617-I620 PolarHBondContact O-N 3.11Å; I620-R622 PolarHBondContact O-N 3.46Å; I620-I623 HydrophobicContact CD1-CD1 4.36Å; I620-I623 WeakPolarHBondContact O-CB 3.41Å; I620-I623 PolarHBondContact O-N 2.96Å; I620-I623 VanDerWaalsContact O-N 3.17Å; I620-R624 HydrophobicContact CG2-CG 4.45Å; I620-R624 PolarHBondContact O-N 2.89Å |
| 621 | N | 98.5 | Very high | 97.6 | Very high | 104 Ų | 104 | 45 Ų | 45 | 56% | 0.556 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.7 | -40 | 176 | -73.2 | -25.8 | 0 | 0 | 0 | 112 | A617 V619 I623 R624 A625 | A617-N621 VanDerWaalsContact O-CB 3.24Å; A617-N621 WeakPolarHBondContact O-CB 3.43Å; A617-N621 PolarHBondContact O-N 3.4Å; A617-N621 PolarHBondContact O-ND2 3.4Å; V619-N621 VanDerWaalsContact C-N 3.32Å; V619-N621 PolarHBondContact O-N 3.05Å; N621-I623 VanDerWaalsContact C-N 3.32Å; N621-I623 PolarHBondContact O-N 2.9Å; N621-R624 PolarHBondContact O-N 3.45Å; N621-A625 WeakPolarHBondContact O-CB 3.12Å; N621-A625 PolarHBondContact O-N 3.37Å |
| 622 | R | 98.6 | Very high | 97.5 | Very high | 108 Ų | 108 | 46.4 Ų | 46.4 | 41% | 0.408 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 172.4 | -74.3 | -170.7 | -68.1 | -84 | 6.6 | 111.4 | A492 D618 V619 I620 | A492-R622 HydrophobicContact CB-CB 4.12Å; A492-R622 PolarHBondContact O-NE 2.95Å; D618-R622 WeakPolarHBondContact O-CG 3.46Å; D618-R622 PolarHBondContact O-N 3.49Å; D618-R622 VanDerWaalsContact O-N 3.17Å; D618-R622 PolarHBondContact O-NH1 2.93Å; D618-R622 IonicContact OD2-CZ 3.4Å; D618-R622 VanDerWaalsContact OD2-CZ 3.31Å; D618-R622 IonicContact OD2-NH1 3.13Å; D618-R622 PolarHBondContact OD2-NH1 3.19Å; D618-R622 IonicContact OD2-NH2 3.24Å; D618-R622 PolarHBondContact OD2-NH2 2.86Å; V619-R622 WeakPolarHBondContact O-CB 3.26Å; V619-R622 PolarHBondContact O-N 3.16Å; I620-R622 PolarHBondContact O-N 3.46Å |
| 623 | I | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.015 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63 | -54.2 | 175.6 | -65.2 | 170.7 | 0 | 0 | 0 | 110.7 | A476 V478 A488 A492 V613 V619 I620 N621 A625 T626 L627 | A476-I623 HydrophobicContact CB-CG2 4.31Å; V478-I623 HydrophobicContact CG1-CG2 4.18Å; A488-I623 HydrophobicContact CB-CD1 4.29Å; A488-I623 HydrophobicContact CB-CG1 4.35Å; A488-I623 HydrophobicContact CB-CG2 3.99Å; A492-I623 HydrophobicContact CB-CD1 4.22Å; A492-I623 HydrophobicContact CB-CG1 3.59Å; V613-I623 HydrophobicContact CB-CD1 3.99Å; V613-I623 HydrophobicContact CG1-CD1 3.64Å; V613-I623 HydrophobicContact CG2-CD1 4.09Å; V619-I623 HydrophobicContact CG1-CD1 4.38Å; V619-I623 WeakPolarHBondContact O-CG1 3.24Å; V619-I623 PolarHBondContact O-N 3.08Å; I620-I623 HydrophobicContact CD1-CD1 4.36Å; I620-I623 WeakPolarHBondContact O-CB 3.41Å; I620-I623 PolarHBondContact O-N 2.96Å; I620-I623 VanDerWaalsContact O-N 3.17Å; N621-I623 VanDerWaalsContact C-N 3.32Å; N621-I623 PolarHBondContact O-N 2.9Å; I623-A625 PolarHBondContact O-N 3.45Å; I623-T626 WeakPolarHBondContact O-CB 3.4Å; I623-T626 PolarHBondContact O-N 3.3Å; I623-T626 PolarHBondContact O-OG1 2.99Å; I623-L627 HydrophobicContact CG2-CD1 4.39Å |
| 624 | R | 97.5 | Very high | 97.4 | Very high | 36 Ų | 36 | 46.7 Ų | 46.7 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.6 | -37.5 | -179.7 | -76.2 | -66.1 | -56.2 | 137 | 6 | 112.2 | L453 N454 A476 I620 N621 T626 L627 | L453-R624 PolarHBondContact O-NH2 2.82Å; N454-R624 PolarHBondContact O-NH2 3.1Å; N454-R624 VanDerWaalsContact O-NH2 3.13Å; A476-R624 HydrophobicContact CB-CG 4.35Å; I620-R624 HydrophobicContact CG2-CG 4.45Å; I620-R624 PolarHBondContact O-N 2.89Å; N621-R624 PolarHBondContact O-N 3.45Å; R624-T626 PolarHBondContact O-N 3.44Å; R624-L627 PolarHBondContact O-N 3.11Å |
| 625 | A | 97.7 | Very high | 97.4 | Very high | 84 Ų | 84 | 48.9 Ų | 48.9 | 69% | 0.694 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60.7 | -24.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | N621 I623 | N621-A625 WeakPolarHBondContact O-CB 3.12Å; N621-A625 PolarHBondContact O-N 3.37Å; I623-A625 PolarHBondContact O-N 3.45Å |
| 626 | T | 97.6 | Very high | 97.4 | Very high | 100 Ų | 100 | 48.8 Ų | 48.8 | 61% | 0.613 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -85.1 | -17.1 | 175.5 | 71.2 | 0 | 0 | 0 | 0 | 113.6 | I623 R624 Y628 | I623-T626 WeakPolarHBondContact O-CB 3.4Å; I623-T626 PolarHBondContact O-N 3.3Å; I623-T626 PolarHBondContact O-OG1 2.99Å; R624-T626 PolarHBondContact O-N 3.44Å; T626-Y628 PolarHBondContact O-N 3.19Å |
| 627 | L | 97.3 | Very high | 97.4 | Very high | 18 Ų | 18 | 49.6 Ų | 49.6 | 9% | 0.094 | 30% | 0.296 | C | S | . | . | trans | -85.2 | 61.8 | -177 | -55.7 | -180 | 0 | 0 | 0 | 110.4 | N454 V478 I623 R624 Q633 | N454-L627 PolarHBondContact ND2-O 3.05Å; N454-L627 VanDerWaalsContact ND2-O 3.15Å; V478-L627 HydrophobicContact CG1-CD1 4.21Å; I623-L627 HydrophobicContact CG2-CD1 4.39Å; R624-L627 PolarHBondContact O-N 3.11Å; L627-Q633 PolarHBondContact O-NE2 3.13Å | ||
| 628 | Y | 93 | Very high | 97.4 | Very high | 191 Ų | 191 | 50.7 Ų | 50.7 | 75% | 0.749 | 30% | 0.296 | S | S | * | . | trans | -73.3 | -40.6 | -176.7 | 173.1 | -99.4 | 0 | 0 | 0 | 113 | N454 T626 | N454-Y628 PolarHBondContact ND2-O 3.35Å; T626-Y628 PolarHBondContact O-N 3.19Å | ||
| 629 | S | 94.9 | Very high | 97.4 | Very high | 51 Ų | 51 | 46.9 Ų | 46.9 | 36% | 0.357 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -83.6 | 158.9 | -166.5 | 84.4 | 0 | 0 | 0 | 0 | 113.6 | G631 S632 Q633 | S629-G631 VanDerWaalsContact C-N 3.31Å; S629-G631 PolarHBondContact O-N 3.07Å; S629-G631 PolarHBondContact OG-N 3.18Å; S629-S632 WeakPolarHBondContact O-CB 3.45Å; S629-S632 PolarHBondContact O-N 3.36Å; S629-S632 PolarHBondContact OG-N 3.34Å; S629-S632 VanDerWaalsContact OG-N 3.07Å; S629-S632 PolarHBondContact OG-OG 3.24Å; S629-Q633 PolarHBondContact O-NE2 3.31Å |
| 630 | G | 94.1 | Very high | 97.4 | Very high | 38 Ų | 38 | 47.7 Ų | 47.7 | 39% | 0.392 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -59.3 | -39.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S632 Q633 | G630-S632 PolarHBondContact O-N 3.43Å; G630-Q633 PolarHBondContact O-N 2.95Å |
| 631 | G | 94.7 | Very high | 97.4 | Very high | 61 Ų | 61 | 49.8 Ų | 49.8 | 63% | 0.629 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -70.1 | -19.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | Q479 S629 Q633 | Q479-G631 WeakPolarHBondContact CG-O 3.43Å; Q479-G631 PolarHBondContact NE2-O 3.48Å; Q479-G631 VanDerWaalsContact NE2-O 3.16Å; S629-G631 VanDerWaalsContact C-N 3.31Å; S629-G631 PolarHBondContact O-N 3.07Å; S629-G631 PolarHBondContact OG-N 3.18Å; G631-Q633 VanDerWaalsContact C-N 3.27Å; G631-Q633 PolarHBondContact O-N 3.07Å |
| 632 | S | 97 | Very high | 97.4 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 20% | 0.203 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -72.2 | -21.3 | 174.5 | -59.1 | 0 | 0 | 0 | 0 | 112.7 | S629 G630 | S629-S632 WeakPolarHBondContact O-CB 3.45Å; S629-S632 PolarHBondContact O-N 3.36Å; S629-S632 PolarHBondContact OG-N 3.34Å; S629-S632 VanDerWaalsContact OG-N 3.07Å; S629-S632 PolarHBondContact OG-OG 3.24Å; G630-S632 PolarHBondContact O-N 3.43Å |
| 633 | Q | 97.7 | Very high | 97.4 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.019 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -85.7 | 145.3 | -173.8 | -48.8 | -44.9 | -50.9 | 0 | 0 | 112.5 | L449 N454 Q479 L627 S629 G630 G631 Q635 | L449-Q633 HydrophobicContact CD2-CG 3.48Å; L449-Q633 VanDerWaalsContact CD2-CG 3.48Å; N454-Q633 PolarHBondContact O-OE1 3.47Å; N454-Q633 VanDerWaalsContact O-OE1 3.05Å; Q479-Q633 PolarHBondContact NE2-O 3.02Å; L627-Q633 PolarHBondContact O-NE2 3.13Å; S629-Q633 PolarHBondContact O-NE2 3.31Å; G630-Q633 PolarHBondContact O-N 2.95Å; G631-Q633 VanDerWaalsContact C-N 3.27Å; G631-Q633 PolarHBondContact O-N 3.07Å; Q633-Q635 PolarHBondContact O-NE2 3.26Å |
| 634 | I | 98.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -85.4 | 126.7 | 164.4 | -57.7 | -46.7 | 0 | 0 | 0 | 108.7 | T459 L477 Q479 V610 Q638 A639 | T459-I634 HydrophobicContact CG2-CB 4.28Å; T459-I634 WeakPolarHBondContact CG2-O 3.36Å; T459-I634 PolarHBondContact OG1-O 3.46Å; L477-I634 HydrophobicContact CB-CB 4.03Å; L477-I634 HydrophobicContact CB-CG1 3.72Å; L477-I634 HydrophobicContact CB-CG2 4.38Å; L477-I634 HydrophobicContact CD1-CG2 4.2Å; Q479-I634 HydrophobicContact CG-CD1 4.06Å; V610-I634 HydrophobicContact CG1-CD1 4.3Å; V610-I634 HydrophobicContact CG1-CG1 4.12Å; V610-I634 HydrophobicContact CG1-CG2 4.15Å; V610-I634 HydrophobicContact CG2-CD1 3.93Å; V610-I634 HydrophobicContact CG2-CG1 4.47Å; V610-I634 HydrophobicContact CG2-CG2 4.12Å; I634-Q638 HydrophobicContact CG2-CB 3.66Å; I634-A639 HydrophobicContact CG2-CB 4.47Å |
| 635 | Q | 98.5 | Very high | 97.4 | Very high | 46 Ų | 46 | 45.7 Ų | 45.7 | 22% | 0.215 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 154.6 | -177.1 | -58.3 | -52.1 | -52.4 | 0 | 0 | 111.4 | L447 Q633 A637 Q638 A639 | L447-Q635 HydrophobicContact CD2-CB 3.93Å; L447-Q635 HydrophobicContact CD2-CG 4.14Å; Q633-Q635 PolarHBondContact O-NE2 3.26Å; Q635-A637 VanDerWaalsContact C-N 3.26Å; Q635-A637 PolarHBondContact O-N 3.24Å; Q635-Q638 HydrophobicContact CB-CG 4.49Å; Q635-Q638 WeakPolarHBondContact O-CB 3.5Å; Q635-Q638 PolarHBondContact O-N 2.85Å; Q635-A639 PolarHBondContact O-N 3.39Å |
| 636 | G | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56 | -39.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D446 T459 A639 L640 | D446-G636 WeakPolarHBondContact O-CA 3.32Å; D446-G636 PolarHBondContact O-N 3.08Å; T459-G636 PolarHBondContact OG1-N 3.47Å; G636-A639 PolarHBondContact O-N 3.38Å; G636-L640 WeakPolarHBondContact O-CG 3.43Å; G636-L640 PolarHBondContact O-N 3.45Å |
| 637 | A | 98.3 | Very high | 97.4 | Very high | 53 Ų | 53 | 38 Ų | 38 | 44% | 0.438 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.5 | -41.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G444 Q635 L640 E641 | G444-A637 WeakPolarHBondContact O-CB 3.41Å; Q635-A637 VanDerWaalsContact C-N 3.26Å; Q635-A637 PolarHBondContact O-N 3.24Å; A637-L640 PolarHBondContact O-N 3.37Å; A637-E641 PolarHBondContact O-N 3.48Å |
| 638 | Q | 98.6 | Very high | 97.3 | Very high | 53 Ų | 53 | 42.7 Ų | 42.7 | 25% | 0.248 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66 | -41.1 | 175.2 | -63.8 | 175.4 | -66.3 | 0 | 0 | 110.5 | P607 V610 I634 Q635 L640 E641 V642 | P607-Q638 HydrophobicContact CG-CB 4.22Å; P607-Q638 WeakPolarHBondContact CG-O 3.18Å; V610-Q638 HydrophobicContact CG2-CB 4.41Å; I634-Q638 HydrophobicContact CG2-CB 3.66Å; Q635-Q638 HydrophobicContact CB-CG 4.49Å; Q635-Q638 WeakPolarHBondContact O-CB 3.5Å; Q635-Q638 PolarHBondContact O-N 2.85Å; Q638-L640 PolarHBondContact O-N 2.91Å; Q638-E641 WeakPolarHBondContact O-CB 3.3Å; Q638-E641 PolarHBondContact O-N 2.65Å; Q638-E641 VanDerWaalsContact O-N 3.13Å; Q638-V642 WeakPolarHBondContact O-CG2 3.13Å; Q638-V642 PolarHBondContact O-N 2.96Å |
| 639 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T459 V462 L477 I634 Q635 G636 E641 V642 L643 | T459-A639 HydrophobicContact CG2-CB 4.21Å; V462-A639 HydrophobicContact CB-CB 3.95Å; V462-A639 HydrophobicContact CG1-CB 4.16Å; V462-A639 HydrophobicContact CG2-CB 3.81Å; L477-A639 HydrophobicContact CD1-CB 3.89Å; I634-A639 HydrophobicContact CG2-CB 4.47Å; Q635-A639 PolarHBondContact O-N 3.39Å; G636-A639 PolarHBondContact O-N 3.38Å; A639-E641 VanDerWaalsContact C-N 3.29Å; A639-E641 PolarHBondContact O-N 3.32Å; A639-V642 WeakPolarHBondContact O-CB 3.4Å; A639-V642 PolarHBondContact O-N 2.87Å; A639-L643 PolarHBondContact O-N 3.43Å |
| 640 | L | 98.5 | Very high | 97.2 | Very high | 17 Ų | 17 | 31.3 Ų | 31.3 | 9% | 0.089 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.4 | -35.4 | 173.3 | -69.9 | 174 | 0 | 0 | 0 | 112.3 | F441 V458 V462 G636 A637 Q638 V642 L643 R644 | F441-L640 HydrophobicContact CD2-CD2 4.18Å; F441-L640 HydrophobicContact CE2-CD2 3.95Å; V458-L640 HydrophobicContact CG1-CD1 4.06Å; V458-L640 HydrophobicContact CG1-CD2 3.8Å; V458-L640 HydrophobicContact CG1-CG 3.66Å; V462-L640 HydrophobicContact CG2-CD2 4.48Å; G636-L640 WeakPolarHBondContact O-CG 3.43Å; G636-L640 PolarHBondContact O-N 3.45Å; A637-L640 PolarHBondContact O-N 3.37Å; Q638-L640 PolarHBondContact O-N 2.91Å; L640-V642 VanDerWaalsContact C-N 3.33Å; L640-L643 PolarHBondContact O-N 3Å; L640-R644 PolarHBondContact O-N 3.49Å |
| 641 | E | 98.5 | Very high | 97.1 | Very high | 48 Ų | 48 | 30.9 Ų | 30.9 | 22% | 0.224 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.7 | -33.2 | 174.6 | -165.9 | 178.3 | 168.4 | 0 | 0 | 112.4 | P607 A637 Q638 A639 R644 G645 K719 | P607-E641 HydrophobicContact CB-CB 4.36Å; P607-E641 HydrophobicContact CB-CG 4.3Å; P607-E641 HydrophobicContact CG-CB 4.21Å; P607-E641 HydrophobicContact CG-CG 4.48Å; A637-E641 PolarHBondContact O-N 3.48Å; Q638-E641 WeakPolarHBondContact O-CB 3.3Å; Q638-E641 PolarHBondContact O-N 2.65Å; Q638-E641 VanDerWaalsContact O-N 3.13Å; A639-E641 VanDerWaalsContact C-N 3.29Å; A639-E641 PolarHBondContact O-N 3.32Å; E641-R644 PolarHBondContact O-N 3.41Å; E641-G645 PolarHBondContact O-N 3.17Å; E641-K719 IonicContact OE1-NZ 3.58Å; E641-K719 PolarHBondContact OE1-NZ 3.48Å |
| 642 | V | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58 | -50.4 | 170.2 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | L466 L477 C601 P607 V610 Q638 A639 L640 R644 G645 L646 | L466-V642 HydrophobicContact CD1-CG1 4.47Å; L477-V642 HydrophobicContact CD1-CG2 4.3Å; L477-V642 HydrophobicContact CD2-CG1 4.43Å; L477-V642 HydrophobicContact CD2-CG2 4.37Å; C601-V642 HydrophobicContact CB-CB 4.49Å; C601-V642 HydrophobicContact CB-CG1 4.08Å; C601-V642 HydrophobicContact CB-CG2 3.81Å; P607-V642 HydrophobicContact CG-CG2 3.89Å; V610-V642 HydrophobicContact CB-CG2 4.43Å; V610-V642 HydrophobicContact CG1-CG2 3.78Å; Q638-V642 WeakPolarHBondContact O-CG2 3.13Å; Q638-V642 PolarHBondContact O-N 2.96Å; A639-V642 WeakPolarHBondContact O-CB 3.4Å; A639-V642 PolarHBondContact O-N 2.87Å; L640-V642 VanDerWaalsContact C-N 3.33Å; V642-R644 VanDerWaalsContact C-N 3.35Å; V642-R644 PolarHBondContact O-N 3.37Å; V642-G645 PolarHBondContact O-N 3.46Å; V642-L646 HydrophobicContact CG1-CD1 4.16Å; V642-L646 WeakPolarHBondContact O-CB 2.91Å; V642-L646 PolarHBondContact O-N 3.06Å |
| 643 | L | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 178.5 | -69.5 | -176.3 | 0 | 0 | 0 | 111.8 | I432 F436 F441 V462 V465 L466 A639 L640 G645 L646 V647 | I432-L643 HydrophobicContact CD1-CB 4.29Å; I432-L643 HydrophobicContact CD1-CD1 4.12Å; I432-L643 HydrophobicContact CD1-CD2 4.45Å; I432-L643 HydrophobicContact CG1-CD1 4.04Å; I432-L643 HydrophobicContact CG1-CD2 4.48Å; F436-L643 HydrophobicContact CE2-CD1 4.35Å; F441-L643 HydrophobicContact CE2-CD1 4.1Å; V462-L643 HydrophobicContact CB-CD1 4.33Å; V462-L643 HydrophobicContact CB-CG 4.41Å; V462-L643 HydrophobicContact CG1-CD1 4.24Å; V462-L643 HydrophobicContact CG1-CD2 3.97Å; V462-L643 HydrophobicContact CG1-CG 3.78Å; V462-L643 HydrophobicContact CG2-CD1 3.61Å; V462-L643 HydrophobicContact CG2-CG 3.98Å; V465-L643 HydrophobicContact CB-CD2 4.31Å; V465-L643 HydrophobicContact CG1-CD2 3.72Å; L466-L643 HydrophobicContact CD2-CD2 4.3Å; A639-L643 PolarHBondContact O-N 3.43Å; L640-L643 PolarHBondContact O-N 3Å; L643-G645 VanDerWaalsContact C-N 3.31Å; L643-G645 PolarHBondContact O-N 2.96Å; L643-L646 PolarHBondContact O-N 3.47Å; L643-V647 VanDerWaalsContact O-CG2 3.25Å; L643-V647 WeakPolarHBondContact O-CG2 3.37Å; L643-V647 PolarHBondContact O-N 3.5Å |
| 644 | R | 98.4 | Very high | 95.9 | Very high | 161 Ų | 161 | 30.5 Ų | 30.5 | 61% | 0.608 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -56.9 | -46.6 | 177.5 | -172.9 | -176.2 | -60.7 | 152.8 | 3.4 | 111.4 | L640 E641 V642 F648 | L640-R644 PolarHBondContact O-N 3.49Å; E641-R644 PolarHBondContact O-N 3.41Å; V642-R644 VanDerWaalsContact C-N 3.35Å; V642-R644 PolarHBondContact O-N 3.37Å; R644-F648 HydrophobicContact CG-CD2 4.4Å; R644-F648 HydrophobicContact CG-CE2 4.07Å; R644-F648 WeakPolarHBondContact O-CD2 3.44Å |
| 645 | G | 97.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.2 | -48.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L604 E641 V642 L643 V647 F648 A649 | L604-G645 CarbonylContact O-C 3.52Å; L604-G645 WeakPolarHBondContact O-CA 3.45Å; E641-G645 PolarHBondContact O-N 3.17Å; V642-G645 PolarHBondContact O-N 3.46Å; L643-G645 VanDerWaalsContact C-N 3.31Å; L643-G645 PolarHBondContact O-N 2.96Å; G645-V647 VanDerWaalsContact C-N 3.3Å; G645-V647 PolarHBondContact O-N 3.41Å; G645-F648 PolarHBondContact O-N 2.94Å; G645-F648 VanDerWaalsContact O-N 3.08Å; G645-A649 PolarHBondContact O-N 2.98Å |
| 646 | L | 97 | Very high | 95 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.4 | -36.2 | -180 | -111.9 | 75.3 | 0 | 0 | 0 | 113.2 | L428 L466 F470 M583 L604 V642 L643 F648 A649 P650 | L428-L646 HydrophobicContact CD2-CB 3.74Å; L428-L646 HydrophobicContact CD2-CD2 4.38Å; L466-L646 HydrophobicContact CD2-CD2 3.53Å; F470-L646 HydrophobicContact CE2-CD2 3.9Å; F470-L646 HydrophobicContact CZ-CD2 4.02Å; M583-L646 HydrophobicContact CE-CB 4.45Å; M583-L646 HydrophobicContact CE-CD2 3.86Å; M583-L646 HydrophobicContact CE-CG 4.04Å; L604-L646 HydrophobicContact CB-CD1 3.8Å; L604-L646 HydrophobicContact CD1-CD1 3.67Å; L604-L646 HydrophobicContact CG-CD1 4.36Å; V642-L646 HydrophobicContact CG1-CD1 4.16Å; V642-L646 WeakPolarHBondContact O-CB 2.91Å; V642-L646 PolarHBondContact O-N 3.06Å; L643-L646 PolarHBondContact O-N 3.47Å; L646-F648 VanDerWaalsContact C-N 3.29Å; L646-F648 PolarHBondContact O-N 2.89Å; L646-A649 PolarHBondContact O-N 3.13Å; L646-P650 WeakPolarHBondContact O-CD 3.48Å |
| 647 | V | 97.8 | Very high | 94.4 | Very high | 24 Ų | 24 | 33.3 Ų | 33.3 | 15% | 0.145 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.1 | -35.1 | 177 | 169 | 0 | 0 | 0 | 0 | 111.3 | Q425 L428 V429 I432 L643 G645 | Q425-V647 HydrophobicContact CG-CG1 4.01Å; Q425-V647 WeakPolarHBondContact CG-O 3.24Å; L428-V647 HydrophobicContact CD2-CB 4.44Å; L428-V647 HydrophobicContact CD2-CG2 3.64Å; L428-V647 HydrophobicContact CG-CG2 4.12Å; V429-V647 HydrophobicContact CG2-CG1 4.02Å; V429-V647 HydrophobicContact CG2-CG2 4.04Å; I432-V647 HydrophobicContact CD1-CG2 3.98Å; L643-V647 VanDerWaalsContact O-CG2 3.25Å; L643-V647 WeakPolarHBondContact O-CG2 3.37Å; L643-V647 PolarHBondContact O-N 3.5Å; G645-V647 VanDerWaalsContact C-N 3.3Å; G645-V647 PolarHBondContact O-N 3.41Å |
| 648 | F | 96.2 | Very high | 93.6 | Very high | 116 Ų | 116 | 31 Ų | 31 | 51% | 0.509 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -81.4 | -30.2 | 176.9 | -73.8 | -60.6 | 0 | 0 | 0 | 113.7 | F605 R644 G645 L646 M652 | F605-F648 HydrophobicContact CD2-CB 3.93Å; F605-F648 HydrophobicContact CE2-CB 4.36Å; R644-F648 HydrophobicContact CG-CD2 4.4Å; R644-F648 HydrophobicContact CG-CE2 4.07Å; R644-F648 WeakPolarHBondContact O-CD2 3.44Å; G645-F648 PolarHBondContact O-N 2.94Å; G645-F648 VanDerWaalsContact O-N 3.08Å; L646-F648 VanDerWaalsContact C-N 3.29Å; L646-F648 PolarHBondContact O-N 2.89Å; F648-M652 HydrophobicContact CB-CG 4.46Å; F648-M652 WeakPolarHBondContact O-CB 3.41Å; F648-M652 VanDerWaalsContact O-CG 3.28Å; F648-M652 WeakPolarHBondContact O-CG 3.37Å; F648-M652 PolarHBondContact O-N 3.24Å |
| 649 | A | 94.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -48.5 | -55 | -173 | 0 | 0 | 0 | 0 | 0 | 115 | M583 L604 F605 G645 L646 V651 M652 H653 | M583-A649 HydrophobicContact CB-CB 3.89Å; M583-A649 HydrophobicContact CG-CB 4.07Å; L604-A649 HydrophobicContact CB-CB 4.49Å; L604-A649 HydrophobicContact CD2-CB 4.18Å; F605-A649 HydrophobicContact CD2-CB 4.38Å; F605-A649 HydrophobicContact CE2-CB 4.37Å; G645-A649 PolarHBondContact O-N 2.98Å; L646-A649 PolarHBondContact O-N 3.13Å; A649-V651 PolarHBondContact O-N 2.8Å; A649-M652 PolarHBondContact O-N 3.43Å; A649-H653 WeakPolarHBondContact O-CB 3.28Å; A649-H653 PolarHBondContact O-CD2 2.97Å; A649-H653 PolarHBondContact O-N 3.11Å |
| 650 | P | 91.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.013 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.1 | -47.9 | -169.3 | 24.6 | -34.1 | 0 | 0 | 0 | 112.5 | A421 K424 Q425 M583 L646 H653 A654 | A421-P650 HydrophobicContact CB-CB 3.98Å; A421-P650 WeakPolarHBondContact CB-O 3.46Å; K424-P650 HydrophobicContact CB-CB 4.25Å; K424-P650 HydrophobicContact CB-CG 4.48Å; Q425-P650 HydrophobicContact CB-CG 4.03Å; M583-P650 HydrophobicContact CB-CB 4.1Å; M583-P650 WeakPolarHBondContact O-CA 3.46Å; M583-P650 HydrophobicContact SD-CB 4.41Å; M583-P650 HydrophobicContact SD-CG 4.33Å; L646-P650 WeakPolarHBondContact O-CD 3.48Å; P650-H653 PolarHBondContact O-N 3.01Å; P650-A654 WeakPolarHBondContact O-CB 3.41Å; P650-A654 PolarHBondContact O-N 3.08Å |
| 651 | V | 90.7 | Very high | 92 | Very high | 29 Ų | 29 | 29.5 Ų | 29.5 | 18% | 0.176 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.8 | -43.8 | -177.2 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | I418 A421 Q422 Q425 A649 H653 A654 V655 | I418-V651 HydrophobicContact CD1-CB 4.46Å; I418-V651 HydrophobicContact CD1-CG1 3.78Å; A421-V651 HydrophobicContact CB-CG2 4.17Å; Q422-V651 HydrophobicContact CG-CG2 3.96Å; Q425-V651 HydrophobicContact CB-CG2 4.43Å; A649-V651 PolarHBondContact O-N 2.8Å; V651-H653 VanDerWaalsContact C-N 3.32Å; V651-H653 PolarHBondContact O-N 3.48Å; V651-A654 PolarHBondContact O-N 3.4Å; V651-V655 WeakPolarHBondContact O-CG2 3.22Å; V651-V655 PolarHBondContact O-N 2.88Å |
| 652 | M | 92 | Very high | 91.5 | Very high | 67 Ų | 67 | 32 Ų | 32 | 33% | 0.33 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -66.4 | -35.3 | 179.5 | -63.5 | -53.5 | -61.9 | 0 | 0 | 112.2 | F605 F648 A649 Q656 | F605-M652 HydrophobicContact CE2-CB 3.84Å; F605-M652 HydrophobicContact CE2-CG 4.19Å; F605-M652 HydrophobicContact CZ-CB 4.08Å; F648-M652 HydrophobicContact CB-CG 4.46Å; F648-M652 WeakPolarHBondContact O-CB 3.41Å; F648-M652 VanDerWaalsContact O-CG 3.28Å; F648-M652 WeakPolarHBondContact O-CG 3.37Å; F648-M652 PolarHBondContact O-N 3.24Å; A649-M652 PolarHBondContact O-N 3.43Å; M652-Q656 WeakPolarHBondContact O-CB 3.26Å; M652-Q656 PolarHBondContact O-N 3.44Å |
| 653 | H | 88.7 | Confident | 91.1 | Very high | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -72.8 | -34.4 | 174.1 | -72.7 | -51.2 | 0 | 0 | 0 | 113 | K584 A649 P650 V651 V655 Q656 A657 E717 | K584-H653 HydrophobicContact CD-CB 4.15Å; K584-H653 VanDerWaalsContact CE-CE1 3.49Å; K584-H653 WeakPolarHBondContact CE-CE1 3.31Å; K584-H653 WeakPolarHBondContact CE-ND1 3.37Å; K584-H653 HydrophobicContact CG-CB 3.87Å; A649-H653 WeakPolarHBondContact O-CB 3.28Å; A649-H653 PolarHBondContact O-CD2 2.97Å; A649-H653 PolarHBondContact O-N 3.11Å; P650-H653 PolarHBondContact O-N 3.01Å; V651-H653 VanDerWaalsContact C-N 3.32Å; V651-H653 PolarHBondContact O-N 3.48Å; H653-V655 VanDerWaalsContact C-N 3.34Å; H653-Q656 PolarHBondContact ND1-OE1 3.48Å; H653-Q656 PolarHBondContact O-N 3.18Å; H653-A657 WeakPolarHBondContact O-CB 3.35Å; H653-A657 PolarHBondContact O-N 2.82Å; H653-E717 IonicContact CE1-OE2 3.45Å; H653-E717 PolarHBondContact CE1-OE2 3.31Å |
| 654 | A | 84.8 | Confident | 90.7 | Very high | 11 Ų | 11 | 33.1 Ų | 33.1 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I418 A421 P650 V651 A657 G658 | I418-A654 HydrophobicContact CD1-CB 3.78Å; A421-A654 HydrophobicContact CB-CB 3.67Å; P650-A654 WeakPolarHBondContact O-CB 3.41Å; P650-A654 PolarHBondContact O-N 3.08Å; V651-A654 PolarHBondContact O-N 3.4Å; A654-A657 PolarHBondContact O-N 3.36Å; A654-G658 PolarHBondContact O-N 3.44Å |
| 655 | V | 88.6 | Confident | 90 | Very high | 71 Ų | 71 | 28.2 Ų | 28.2 | 43% | 0.43 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60 | -48.5 | 172.1 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | I418 V651 H653 A657 G658 V659 | I418-V655 HydrophobicContact CD1-CG2 3.92Å; V651-V655 WeakPolarHBondContact O-CG2 3.22Å; V651-V655 PolarHBondContact O-N 2.88Å; H653-V655 VanDerWaalsContact C-N 3.34Å; V655-A657 VanDerWaalsContact C-N 3.32Å; V655-A657 PolarHBondContact O-N 2.89Å; V655-G658 PolarHBondContact O-N 2.92Å; V655-V659 WeakPolarHBondContact O-CG2 3.17Å; V655-V659 PolarHBondContact O-N 2.9Å |
| 656 | Q | 90 | Very high | 89.7 | Confident | 11 Ų | 11 | 31 Ų | 31 | 5% | 0.051 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.8 | -38.6 | 177.4 | -179 | -167.8 | -24.1 | 0 | 0 | 112.7 | M652 H653 V659 S660 N748 N750 | M652-Q656 WeakPolarHBondContact O-CB 3.26Å; M652-Q656 PolarHBondContact O-N 3.44Å; H653-Q656 PolarHBondContact ND1-OE1 3.48Å; H653-Q656 PolarHBondContact O-N 3.18Å; Q656-V659 PolarHBondContact O-N 3.49Å; Q656-S660 PolarHBondContact O-N 3.48Å; Q656-S660 PolarHBondContact O-OG 3.47Å; Q656-N748 PolarHBondContact NE2-OD1 3.16Å; Q656-N750 WeakPolarHBondContact CG-O 3.4Å |
| 657 | A | 84.4 | Confident | 89.5 | Confident | 25 Ų | 25 | 31.3 Ų | 31.3 | 21% | 0.207 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.2 | -47.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | H653 A654 V655 V659 S660 E661 | H653-A657 WeakPolarHBondContact O-CB 3.35Å; H653-A657 PolarHBondContact O-N 2.82Å; A654-A657 PolarHBondContact O-N 3.36Å; V655-A657 VanDerWaalsContact C-N 3.32Å; V655-A657 PolarHBondContact O-N 2.89Å; A657-V659 VanDerWaalsContact C-N 3.33Å; A657-V659 PolarHBondContact O-N 3.17Å; A657-S660 WeakPolarHBondContact O-CB 3.2Å; A657-S660 PolarHBondContact O-N 2.84Å; A657-S660 VanDerWaalsContact O-N 3.09Å; A657-E661 WeakPolarHBondContact O-CG 3.38Å; A657-E661 PolarHBondContact O-N 2.96Å |
| 658 | G | 82.5 | Confident | 89 | Confident | 6 Ų | 6 | 34.9 Ų | 34.9 | 6% | 0.062 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.6 | -40 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A654 V655 S660 R662 | A654-G658 PolarHBondContact O-N 3.44Å; V655-G658 PolarHBondContact O-N 2.92Å; G658-S660 VanDerWaalsContact C-N 3.34Å; G658-R662 WeakPolarHBondContact O-CG 3.42Å; G658-R662 PolarHBondContact O-N 3.03Å; G658-R662 VanDerWaalsContact O-N 3.09Å; G658-R662 PolarHBondContact O-NH1 2.87Å |
| 659 | V | 90.3 | Very high | 88.6 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.03 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.2 | -45 | 172.8 | 170 | 0 | 0 | 0 | 0 | 111.1 | V655 Q656 A657 R662 L663 P749 E754 | V655-V659 WeakPolarHBondContact O-CG2 3.17Å; V655-V659 PolarHBondContact O-N 2.9Å; Q656-V659 PolarHBondContact O-N 3.49Å; A657-V659 VanDerWaalsContact C-N 3.33Å; A657-V659 PolarHBondContact O-N 3.17Å; V659-R662 PolarHBondContact O-N 3.31Å; V659-L663 VanDerWaalsContact O-CB 3.24Å; V659-L663 WeakPolarHBondContact O-CB 3.35Å; V659-L663 PolarHBondContact O-N 3.06Å; V659-P749 HydrophobicContact CG1-CB 3.75Å; V659-P749 HydrophobicContact CG1-CG 4.06Å; V659-E754 HydrophobicContact CG1-CB 4.11Å |
| 660 | S | 89.6 | Confident | 88.5 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63 | -44.8 | -178.7 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | Q656 A657 G658 L663 L664 | Q656-S660 PolarHBondContact O-N 3.48Å; Q656-S660 PolarHBondContact O-OG 3.47Å; A657-S660 WeakPolarHBondContact O-CB 3.2Å; A657-S660 PolarHBondContact O-N 2.84Å; A657-S660 VanDerWaalsContact O-N 3.09Å; G658-S660 VanDerWaalsContact C-N 3.34Å; S660-L663 PolarHBondContact O-N 3.13Å; S660-L664 WeakPolarHBondContact O-CB 3.47Å; S660-L664 PolarHBondContact O-N 3.21Å |
| 661 | E | 82.9 | Confident | 88.6 | Confident | 30 Ų | 30 | 35.9 Ų | 35.9 | 14% | 0.14 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.6 | -45.4 | 177.9 | -62.7 | -63 | 164.2 | 0 | 0 | 111.7 | A657 L663 L664 A665 I680 K686 | A657-E661 WeakPolarHBondContact O-CG 3.38Å; A657-E661 PolarHBondContact O-N 2.96Å; E661-L663 PolarHBondContact O-N 3.3Å; E661-L664 WeakPolarHBondContact O-CB 3.36Å; E661-L664 PolarHBondContact O-N 3.17Å; E661-A665 PolarHBondContact O-N 2.91Å; E661-I680 VanDerWaalsContact CD-CD1 3.45Å; E661-I680 HydrophobicContact CG-CD1 4.26Å; E661-I680 WeakPolarHBondContact OE2-CD1 3.44Å; E661-K686 IonicContact OE1-NZ 3.9Å; E661-K686 PolarHBondContact OE1-NZ 2.83Å |
| 662 | R | 87 | Confident | 88.8 | Confident | 101 Ų | 101 | 34.6 Ų | 34.6 | 38% | 0.381 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.8 | -41.1 | 177.1 | -70 | -170.2 | -57.6 | -83.6 | -6.4 | 112.1 | G658 V659 A665 L666 E754 | G658-R662 WeakPolarHBondContact O-CG 3.42Å; G658-R662 PolarHBondContact O-N 3.03Å; G658-R662 VanDerWaalsContact O-N 3.09Å; G658-R662 PolarHBondContact O-NH1 2.87Å; V659-R662 PolarHBondContact O-N 3.31Å; R662-A665 PolarHBondContact O-N 3.4Å; R662-L666 WeakPolarHBondContact O-CG 3.29Å; R662-L666 PolarHBondContact O-N 3.27Å; R662-E754 HydrophobicContact CB-CG 4.22Å; R662-E754 IonicContact CZ-OE1 2.81Å; R662-E754 IonicContact CZ-OE2 3.9Å; R662-E754 VanDerWaalsContact NE-CD 3.32Å; R662-E754 IonicContact NE-OE1 2.76Å; R662-E754 PolarHBondContact NE-OE1 3.34Å; R662-E754 IonicContact NE-OE2 3.64Å; R662-E754 IonicContact NH2-OE1 3.15Å; R662-E754 PolarHBondContact NH2-OE1 2.97Å; R662-E754 IonicContact NH2-OE2 2.78Å; R662-E754 PolarHBondContact NH2-OE2 2.86Å |
| 663 | L | 91.1 | Very high | 89 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.1 | -42.7 | 175.1 | -179.8 | 62.5 | 0 | 0 | 0 | 111.8 | V659 S660 E661 A665 L666 L667 L688 E754 V757 L758 | V659-L663 VanDerWaalsContact O-CB 3.24Å; V659-L663 WeakPolarHBondContact O-CB 3.35Å; V659-L663 PolarHBondContact O-N 3.06Å; S660-L663 PolarHBondContact O-N 3.13Å; E661-L663 PolarHBondContact O-N 3.3Å; L663-A665 PolarHBondContact O-N 3.14Å; L663-L666 PolarHBondContact O-N 2.95Å; L663-L667 HydrophobicContact CD1-CD1 4.27Å; L663-L667 HydrophobicContact CD1-CG 4.25Å; L663-L667 HydrophobicContact CG-CD1 4.1Å; L663-L667 HydrophobicContact CG-CG 4.48Å; L663-L667 VanDerWaalsContact O-CG 3.31Å; L663-L667 WeakPolarHBondContact O-CG 3.24Å; L663-L667 PolarHBondContact O-N 3.42Å; L663-L688 HydrophobicContact CB-CD2 4.23Å; L663-L688 HydrophobicContact CD2-CD2 3.71Å; L663-L688 HydrophobicContact CG-CD2 3.72Å; L663-E754 HydrophobicContact CB-CB 3.95Å; L663-E754 HydrophobicContact CD1-CB 4.43Å; L663-V757 HydrophobicContact CD1-CB 4.36Å; L663-V757 HydrophobicContact CD1-CG1 4.2Å; L663-V757 HydrophobicContact CD2-CB 3.97Å; L663-V757 HydrophobicContact CD2-CG1 3.44Å; L663-V757 VanDerWaalsContact CD2-CG1 3.44Å; L663-V757 HydrophobicContact CD2-CG2 4.44Å; L663-V757 HydrophobicContact CG-CG1 4.48Å; L663-L758 HydrophobicContact CD1-CB 4.48Å; L663-L758 HydrophobicContact CD1-CD1 4.41Å |
| 664 | L | 90.3 | Very high | 89.4 | Confident | 23 Ų | 23 | 39.8 Ų | 39.8 | 12% | 0.12 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59 | -47.1 | 175.7 | 177.5 | 67.9 | 0 | 0 | 0 | 111.1 | S660 E661 L666 L667 N668 A678 I680 L688 | S660-L664 WeakPolarHBondContact O-CB 3.47Å; S660-L664 PolarHBondContact O-N 3.21Å; E661-L664 WeakPolarHBondContact O-CB 3.36Å; E661-L664 PolarHBondContact O-N 3.17Å; L664-L666 VanDerWaalsContact C-N 3.35Å; L664-L666 PolarHBondContact O-N 3.03Å; L664-L667 PolarHBondContact O-N 3.47Å; L664-N668 WeakPolarHBondContact CD1-ND2 3.35Å; L664-N668 WeakPolarHBondContact O-CB 3.36Å; L664-N668 PolarHBondContact O-N 2.99Å; L664-A678 HydrophobicContact CD1-CB 3.85Å; L664-A678 WeakPolarHBondContact CD1-O 2.96Å; L664-I680 HydrophobicContact CB-CD1 4Å; L664-I680 HydrophobicContact CB-CG1 4.22Å; L664-I680 HydrophobicContact CD2-CB 4.3Å; L664-I680 HydrophobicContact CD2-CD1 3.71Å; L664-I680 HydrophobicContact CD2-CG1 3.84Å; L664-I680 HydrophobicContact CG-CD1 4.43Å; L664-I680 HydrophobicContact CG-CG1 4.43Å; L664-L688 HydrophobicContact CB-CD2 4.37Å |
| 665 | A | 83.4 | Confident | 89.9 | Confident | 58 Ų | 58 | 40 Ų | 40 | 48% | 0.479 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E661 R662 L663 G669 | E661-A665 PolarHBondContact O-N 2.91Å; R662-A665 PolarHBondContact O-N 3.4Å; L663-A665 PolarHBondContact O-N 3.14Å; A665-G669 PolarHBondContact O-N 3.44Å |
| 666 | L | 90.9 | Very high | 90.1 | Very high | 63 Ų | 63 | 42.1 Ų | 42.1 | 33% | 0.33 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 176 | -71.9 | 167.9 | 0 | 0 | 0 | 111.9 | R662 L663 L664 G669 G670 A671 E754 | R662-L666 WeakPolarHBondContact O-CG 3.29Å; R662-L666 PolarHBondContact O-N 3.27Å; L663-L666 PolarHBondContact O-N 2.95Å; L664-L666 VanDerWaalsContact C-N 3.35Å; L664-L666 PolarHBondContact O-N 3.03Å; L666-G669 CarbonylContact O-C 3.59Å; L666-G669 PolarHBondContact O-N 3.35Å; L666-G670 PolarHBondContact O-N 2.89Å; L666-A671 HydrophobicContact CB-CB 4.16Å; L666-A671 WeakPolarHBondContact O-CB 3.37Å; L666-A671 PolarHBondContact O-N 3.36Å; L666-E754 HydrophobicContact CD1-CG 4.17Å |
| 667 | L | 92.2 | Very high | 90.2 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.1 | -47.7 | 179.7 | -70 | 174.5 | 0 | 0 | 0 | 111.7 | L663 L664 G669 G670 V672 V675 A678 L688 V690 L758 L761 | L663-L667 HydrophobicContact CD1-CD1 4.27Å; L663-L667 HydrophobicContact CD1-CG 4.25Å; L663-L667 HydrophobicContact CG-CD1 4.1Å; L663-L667 HydrophobicContact CG-CG 4.48Å; L663-L667 VanDerWaalsContact O-CG 3.31Å; L663-L667 WeakPolarHBondContact O-CG 3.24Å; L663-L667 PolarHBondContact O-N 3.42Å; L664-L667 PolarHBondContact O-N 3.47Å; L667-G669 PolarHBondContact O-N 3.5Å; L667-G670 PolarHBondContact O-N 2.81Å; L667-V672 HydrophobicContact CD2-CB 4.26Å; L667-V672 HydrophobicContact CD2-CG2 3.84Å; L667-V675 HydrophobicContact CD2-CG2 4.28Å; L667-A678 HydrophobicContact CB-CB 3.71Å; L667-A678 HydrophobicContact CD1-CB 3.8Å; L667-A678 HydrophobicContact CG-CB 4.42Å; L667-L688 HydrophobicContact CD1-CD2 3.81Å; L667-V690 HydrophobicContact CD1-CG2 3.81Å; L667-L758 HydrophobicContact CD2-CD1 3.98Å; L667-L761 HydrophobicContact CD2-CD1 4.46Å |
| 668 | N | 86.8 | Confident | 90.5 | Very high | 100 Ų | 100 | 43 Ų | 43 | 54% | 0.535 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.5 | -21.4 | 176.9 | -73.5 | -20.5 | 0 | 0 | 0 | 112.8 | L664 G670 A678 | L664-N668 WeakPolarHBondContact CD1-ND2 3.35Å; L664-N668 WeakPolarHBondContact O-CB 3.36Å; L664-N668 PolarHBondContact O-N 2.99Å; N668-G670 PolarHBondContact O-N 3.37Å; N668-A678 PolarHBondContact ND2-O 3.31Å; N668-A678 PolarHBondContact OD1-N 2.77Å; N668-A678 PolarHBondContact OD1-O 3.47Å |
| 669 | G | 89.3 | Confident | 90.7 | Very high | 68 Ų | 68 | 46.2 Ų | 46.2 | 70% | 0.701 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 2.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A665 L666 L667 | A665-G669 PolarHBondContact O-N 3.44Å; L666-G669 CarbonylContact O-C 3.59Å; L666-G669 PolarHBondContact O-N 3.35Å; L667-G669 PolarHBondContact O-N 3.5Å |
| 670 | G | 91.6 | Very high | 90.2 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 51% | 0.505 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 21.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L666 L667 N668 V672 | L666-G670 PolarHBondContact O-N 2.89Å; L667-G670 PolarHBondContact O-N 2.81Å; N668-G670 PolarHBondContact O-N 3.37Å; G670-V672 PolarHBondContact O-N 3.11Å; G670-V672 VanDerWaalsContact O-N 3.14Å |
| 671 | A | 93.2 | Very high | 89.6 | Confident | 22 Ų | 22 | 48.6 Ų | 48.6 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -62 | -19.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L666 L758 R762 | L666-A671 HydrophobicContact CB-CB 4.16Å; L666-A671 WeakPolarHBondContact O-CB 3.37Å; L666-A671 PolarHBondContact O-N 3.36Å; A671-L758 HydrophobicContact CB-CD1 4.09Å; A671-L758 HydrophobicContact CB-CD2 4.2Å; A671-R762 PolarHBondContact O-NE 3.27Å; A671-R762 VanDerWaalsContact O-NE 3.11Å; A671-R762 PolarHBondContact O-NH2 3.33Å |
| 672 | V | 96.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -132.6 | 102.1 | 173.9 | -174.5 | 0 | 0 | 0 | 0 | 108.2 | L667 G670 E674 V675 L758 L761 R762 I765 | L667-V672 HydrophobicContact CD2-CB 4.26Å; L667-V672 HydrophobicContact CD2-CG2 3.84Å; G670-V672 PolarHBondContact O-N 3.11Å; G670-V672 VanDerWaalsContact O-N 3.14Å; V672-E674 WeakPolarHBondContact CG1-OE2 3.41Å; V672-E674 PolarHBondContact O-N 3.31Å; V672-E674 VanDerWaalsContact O-N 3.15Å; V672-V675 HydrophobicContact CB-CB 4.3Å; V672-V675 HydrophobicContact CB-CG2 3.78Å; V672-V675 HydrophobicContact CG1-CG2 3.73Å; V672-V675 WeakPolarHBondContact O-CB 3.32Å; V672-V675 PolarHBondContact O-N 2.96Å; V672-L758 HydrophobicContact CG2-CD1 3.57Å; V672-L761 HydrophobicContact CG1-CD2 3.95Å; V672-L761 HydrophobicContact CG2-CD2 4.27Å; V672-R762 HydrophobicContact CG2-CG 4.04Å; V672-I765 HydrophobicContact CG1-CD1 3.69Å |
| 673 | P | 94.8 | Very high | 88.2 | Confident | 100 Ų | 100 | 46.3 Ų | 46.3 | 65% | 0.649 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -26.4 | -174.6 | -26 | 34.9 | 0 | 0 | 0 | 114.9 | V675 H693 | P673-V675 VanDerWaalsContact C-N 3.27Å; P673-V675 PolarHBondContact O-N 2.84Å; P673-H693 PolarHBondContact O-CD2 2.63Å |
| 674 | E | 96.9 | Very high | 87.1 | Confident | 85 Ų | 85 | 48.4 Ų | 48.4 | 40% | 0.397 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -11.9 | -179.5 | -58.3 | 81 | -178 | 0 | 0 | 112.9 | V672 F692 H693 I765 | V672-E674 WeakPolarHBondContact CG1-OE2 3.41Å; V672-E674 PolarHBondContact O-N 3.31Å; V672-E674 VanDerWaalsContact O-N 3.15Å; E674-F692 WeakPolarHBondContact O-CA 3.46Å; E674-H693 PolarHBondContact O-N 3.17Å; E674-I765 HydrophobicContact CB-CD1 4.16Å; E674-I765 HydrophobicContact CB-CG2 4.16Å; E674-I765 HydrophobicContact CG-CG2 3.71Å |
| 675 | V | 95.9 | Very high | 86.6 | Confident | 16 Ų | 16 | 47.7 Ų | 47.7 | 10% | 0.097 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 118.7 | 174.1 | 173 | 0 | 0 | 0 | 0 | 109.1 | L667 V672 P673 A678 V690 E691 F692 L761 | L667-V675 HydrophobicContact CD2-CG2 4.28Å; V672-V675 HydrophobicContact CB-CB 4.3Å; V672-V675 HydrophobicContact CB-CG2 3.78Å; V672-V675 HydrophobicContact CG1-CG2 3.73Å; V672-V675 WeakPolarHBondContact O-CB 3.32Å; V672-V675 PolarHBondContact O-N 2.96Å; P673-V675 VanDerWaalsContact C-N 3.27Å; P673-V675 PolarHBondContact O-N 2.84Å; V675-A678 HydrophobicContact CG1-CB 4.49Å; V675-V690 HydrophobicContact CB-CG1 4.36Å; V675-V690 HydrophobicContact CG1-CG1 3.75Å; V675-V690 HydrophobicContact CG2-CG1 3.66Å; V675-E691 CarbonylContact C-O 3.51Å; V675-F692 HydrophobicContact CG2-CD1 4.02Å; V675-F692 HydrophobicContact CG2-CE1 3.9Å; V675-L761 HydrophobicContact CG2-CD2 4.31Å |
| 676 | K | 93.8 | Very high | 86.5 | Confident | 114 Ų | 114 | 47.8 Ų | 47.8 | 50% | 0.496 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | -43.9 | 177.4 | 174.9 | -176.3 | 163.5 | -152.7 | 0 | 111.6 | E691 H693 | K676-E691 HydrophobicContact CD-CG 4.42Å; K676-E691 WeakPolarHBondContact CE-OE2 3.33Å; K676-E691 PolarHBondContact N-O 3.4Å; K676-E691 VanDerWaalsContact NZ-CD 3.33Å; K676-E691 IonicContact NZ-OE1 2.71Å; K676-E691 PolarHBondContact NZ-OE1 2.96Å; K676-E691 IonicContact NZ-OE2 3.33Å; K676-E691 PolarHBondContact NZ-OE2 2.74Å; K676-H693 WeakPolarHBondContact CA-NE2 3.3Å |
| 677 | S | 91 | Very high | 86.4 | Confident | 47 Ų | 47 | 45.3 Ų | 45.3 | 33% | 0.329 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 147.4 | 179.9 | 73.3 | 0 | 0 | 0 | 0 | 110.8 | E691 | S677-E691 PolarHBondContact N-O 2.67Å; S677-E691 PolarHBondContact O-N 3Å; S677-E691 WeakPolarHBondContact OG-CB 3.43Å; S677-E691 PolarHBondContact OG-OE2 2.62Å |
| 678 | A | 90.5 | Very high | 86.4 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 6% | 0.058 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 138.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L664 L667 N668 V675 I689 | L664-A678 HydrophobicContact CD1-CB 3.85Å; L664-A678 WeakPolarHBondContact CD1-O 2.96Å; L667-A678 HydrophobicContact CB-CB 3.71Å; L667-A678 HydrophobicContact CD1-CB 3.8Å; L667-A678 HydrophobicContact CG-CB 4.42Å; N668-A678 PolarHBondContact ND2-O 3.31Å; N668-A678 PolarHBondContact OD1-N 2.77Å; N668-A678 PolarHBondContact OD1-O 3.47Å; V675-A678 HydrophobicContact CG1-CB 4.49Å; A678-I689 WeakPolarHBondContact CA-O 3.37Å |
| 679 | V | 86.4 | Confident | 86.6 | Confident | 75 Ų | 75 | 41 Ų | 41 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 140.5 | 177.5 | 65.8 | 0 | 0 | 0 | 0 | 110.4 | L688 I689 | V679-L688 WeakPolarHBondContact O-CA 3.36Å; V679-I689 HydrophobicContact CG1-CB 4Å; V679-I689 PolarHBondContact N-O 3.41Å; V679-I689 PolarHBondContact O-N 2.89Å |
| 680 | I | 81 | Confident | 86.9 | Confident | 31 Ų | 31 | 37.7 Ų | 37.7 | 16% | 0.159 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 122.4 | 166.2 | -74.4 | 170.1 | 0 | 0 | 0 | 107.8 | E661 L664 K686 V687 L688 | E661-I680 VanDerWaalsContact CD-CD1 3.45Å; E661-I680 HydrophobicContact CG-CD1 4.26Å; E661-I680 WeakPolarHBondContact OE2-CD1 3.44Å; L664-I680 HydrophobicContact CB-CD1 4Å; L664-I680 HydrophobicContact CB-CG1 4.22Å; L664-I680 HydrophobicContact CD2-CB 4.3Å; L664-I680 HydrophobicContact CD2-CD1 3.71Å; L664-I680 HydrophobicContact CD2-CG1 3.84Å; L664-I680 HydrophobicContact CG-CD1 4.43Å; L664-I680 HydrophobicContact CG-CG1 4.43Å; I680-K686 HydrophobicContact CG2-CD 4.12Å; I680-K686 HydrophobicContact CG2-CG 3.65Å; I680-V687 WeakPolarHBondContact CA-O 3.1Å; I680-L688 HydrophobicContact CD1-CD1 4.18Å; I680-L688 HydrophobicContact CG1-CD1 3.56Å; I680-L688 HydrophobicContact CG1-CG 4.01Å |
| 681 | A | 76.1 | Confident | 87 | Confident | 26 Ų | 26 | 37.5 Ų | 37.5 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | A683 V687 I689 | A681-A683 PolarHBondContact O-N 2.88Å; A681-V687 PolarHBondContact N-O 3.44Å; A681-V687 PolarHBondContact O-N 3.1Å; A681-I689 HydrophobicContact CB-CD1 3.74Å; A681-I689 HydrophobicContact CB-CG1 4.22Å |
| 682 | N | 73.3 | Confident | 87.2 | Confident | 68 Ų | 68 | 36.6 Ų | 36.6 | 36% | 0.364 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 74.6 | 163.7 | -83.8 | 40.1 | 0 | 0 | 0 | 108.7 | R551 Q684 S685 K686 | R551-N682 HydrophobicContact CB-CB 3.98Å; R551-N682 HydrophobicContact CG-CB 3.71Å; N682-Q684 PolarHBondContact O-N 3.48Å; N682-S685 WeakPolarHBondContact CA-O 3.29Å; N682-K686 WeakPolarHBondContact OD1-CB 3.38Å |
| 683 | A | 67.5 | Low | 87.2 | Confident | 15 Ų | 15 | 42 Ų | 42 | 12% | 0.124 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -78.7 | 62.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | A681 S685 V687 | A681-A683 PolarHBondContact O-N 2.88Å; A683-S685 PolarHBondContact N-O 3.24Å; A683-S685 VanDerWaalsContact N-O 3.12Å; A683-S685 PolarHBondContact O-N 2.8Å; A683-V687 HydrophobicContact CB-CG2 3.98Å |
| 684 | Q | 68.4 | Low | 87.2 | Confident | 43 Ų | 43 | 43.2 Ų | 43.2 | 20% | 0.201 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 70.7 | -70.5 | -157.9 | -53.7 | 175 | -30.2 | 0 | 0 | 112.7 | T550 Y580 N682 | T550-Q684 WeakPolarHBondContact CB-O 3.47Å; T550-Q684 WeakPolarHBondContact CG2-O 3.38Å; Y580-Q684 HydrophobicContact CD2-CB 4.3Å; Y580-Q684 HydrophobicContact CE2-CB 4.35Å; N682-Q684 PolarHBondContact O-N 3.48Å |
| 685 | S | 80.4 | Confident | 87.2 | Confident | 8 Ų | 8 | 43 Ų | 43 | 6% | 0.056 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -86.2 | 156.5 | 167.3 | -166.4 | 0 | 0 | 0 | 0 | 110.9 | K584 N682 A683 V687 E717 | K584-S685 PolarHBondContact NZ-OG 3.3Å; N682-S685 WeakPolarHBondContact CA-O 3.29Å; A683-S685 PolarHBondContact N-O 3.24Å; A683-S685 VanDerWaalsContact N-O 3.12Å; A683-S685 PolarHBondContact O-N 2.8Å; S685-V687 PolarHBondContact O-N 2.67Å; S685-V687 VanDerWaalsContact O-N 3.17Å; S685-E717 PolarHBondContact OG-OE1 3.03Å |
| 686 | K | 81.3 | Confident | 87.2 | Confident | 61 Ų | 61 | 42.9 Ų | 42.9 | 27% | 0.265 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 106.1 | 172.5 | -169.2 | 175.7 | 178.1 | -174.5 | 0 | 108.6 | E661 I680 N682 | E661-K686 IonicContact OE1-NZ 3.9Å; E661-K686 PolarHBondContact OE1-NZ 2.83Å; I680-K686 HydrophobicContact CG2-CD 4.12Å; I680-K686 HydrophobicContact CG2-CG 3.65Å; N682-K686 WeakPolarHBondContact OD1-CB 3.38Å |
| 687 | V | 88.8 | Confident | 87.3 | Confident | 11 Ų | 11 | 37.5 Ų | 37.5 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 164.5 | -176.7 | -62.9 | 0 | 0 | 0 | 0 | 110.7 | I680 A681 A683 S685 R746 N748 | I680-V687 WeakPolarHBondContact CA-O 3.1Å; A681-V687 PolarHBondContact N-O 3.44Å; A681-V687 PolarHBondContact O-N 3.1Å; A683-V687 HydrophobicContact CB-CG2 3.98Å; S685-V687 PolarHBondContact O-N 2.67Å; S685-V687 VanDerWaalsContact O-N 3.17Å; V687-R746 HydrophobicContact CG2-CG 4.37Å; V687-N748 HydrophobicContact CG1-CB 3.88Å |
| 688 | L | 90.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 135.3 | 168.7 | -92.5 | 77 | 0 | 0 | 0 | 110.3 | L663 L664 L667 V679 I680 V690 R746 I747 | L663-L688 HydrophobicContact CB-CD2 4.23Å; L663-L688 HydrophobicContact CD2-CD2 3.71Å; L663-L688 HydrophobicContact CG-CD2 3.72Å; L664-L688 HydrophobicContact CB-CD2 4.37Å; L667-L688 HydrophobicContact CD1-CD2 3.81Å; V679-L688 WeakPolarHBondContact O-CA 3.36Å; I680-L688 HydrophobicContact CD1-CD1 4.18Å; I680-L688 HydrophobicContact CG1-CD1 3.56Å; I680-L688 HydrophobicContact CG1-CG 4.01Å; L688-V690 HydrophobicContact CB-CG2 4.36Å; L688-R746 CarbonylContact O-C 3.6Å; L688-R746 VanDerWaalsContact O-CA 3.3Å; L688-R746 WeakPolarHBondContact O-CA 3.46Å; L688-I747 HydrophobicContact CB-CB 4.34Å; L688-I747 PolarHBondContact N-O 3.36Å; L688-I747 PolarHBondContact O-N 3.44Å |
| 689 | I | 91.5 | Very high | 87.9 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 7% | 0.067 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.1 | 161.5 | -60.3 | 178.5 | 0 | 0 | 0 | 106.6 | A678 V679 A681 L729 F733 A744 I745 R746 | A678-I689 WeakPolarHBondContact CA-O 3.37Å; V679-I689 HydrophobicContact CG1-CB 4Å; V679-I689 PolarHBondContact N-O 3.41Å; V679-I689 PolarHBondContact O-N 2.89Å; A681-I689 HydrophobicContact CB-CD1 3.74Å; A681-I689 HydrophobicContact CB-CG1 4.22Å; I689-L729 HydrophobicContact CG2-CD2 4.04Å; I689-F733 HydrophobicContact CD1-CE2 4.08Å; I689-F733 HydrophobicContact CD1-CZ 4.33Å; I689-A744 HydrophobicContact CG2-CB 4.3Å; I689-I745 WeakPolarHBondContact CA-O 3.33Å; I689-R746 HydrophobicContact CG1-CG 4.29Å |
| 690 | V | 95.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 120.1 | 179.8 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | L667 V675 L688 F692 A744 I745 I747 | L667-V690 HydrophobicContact CD1-CG2 3.81Å; V675-V690 HydrophobicContact CB-CG1 4.36Å; V675-V690 HydrophobicContact CG1-CG1 3.75Å; V675-V690 HydrophobicContact CG2-CG1 3.66Å; L688-V690 HydrophobicContact CB-CG2 4.36Å; V690-F692 HydrophobicContact CG1-CE1 4.07Å; V690-F692 HydrophobicContact CG1-CZ 4.24Å; V690-A744 CarbonylContact O-C 3.48Å; V690-A744 WeakPolarHBondContact O-CA 3.47Å; V690-I745 HydrophobicContact CB-CG1 4.2Å; V690-I745 PolarHBondContact N-O 2.77Å; V690-I745 PolarHBondContact O-N 3.39Å; V690-I747 HydrophobicContact CG2-CD1 3.77Å; V690-I747 HydrophobicContact CG2-CG1 4.4Å |
| 691 | E | 94.6 | Very high | 89.3 | Confident | 45 Ų | 45 | 41 Ų | 41 | 21% | 0.21 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 134.1 | 177.2 | -167.5 | -167.7 | -170 | 0 | 0 | 110 | V675 K676 S677 C743 A744 | V675-E691 CarbonylContact C-O 3.51Å; K676-E691 HydrophobicContact CD-CG 4.42Å; K676-E691 WeakPolarHBondContact CE-OE2 3.33Å; K676-E691 PolarHBondContact N-O 3.4Å; K676-E691 VanDerWaalsContact NZ-CD 3.33Å; K676-E691 IonicContact NZ-OE1 2.71Å; K676-E691 PolarHBondContact NZ-OE1 2.96Å; K676-E691 IonicContact NZ-OE2 3.33Å; K676-E691 PolarHBondContact NZ-OE2 2.74Å; S677-E691 PolarHBondContact N-O 2.67Å; S677-E691 PolarHBondContact O-N 3Å; S677-E691 WeakPolarHBondContact OG-CB 3.43Å; S677-E691 PolarHBondContact OG-OE2 2.62Å; E691-C743 CarbonylContact C-O 3.57Å; E691-C743 WeakPolarHBondContact CA-O 2.9Å; E691-C743 HydrophobicContact CG-CB 4.26Å; E691-A744 HydrophobicContact CB-CB 4.3Å; E691-A744 HydrophobicContact CG-CB 4.38Å |
| 692 | F | 96.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 154.7 | 178 | -56.4 | -66.7 | 0 | 0 | 0 | 111.7 | E674 V675 V690 Q694 I696 A697 V700 C743 I745 L761 I765 | E674-F692 WeakPolarHBondContact O-CA 3.46Å; V675-F692 HydrophobicContact CG2-CD1 4.02Å; V675-F692 HydrophobicContact CG2-CE1 3.9Å; V690-F692 HydrophobicContact CG1-CE1 4.07Å; V690-F692 HydrophobicContact CG1-CZ 4.24Å; F692-Q694 VanDerWaalsContact C-N 3.29Å; F692-Q694 WeakPolarHBondContact CB-O 3.46Å; F692-Q694 PolarHBondContact O-N 3.12Å; F692-I696 HydrophobicContact CB-CD1 4.06Å; F692-I696 HydrophobicContact CB-CG1 3.74Å; F692-I696 HydrophobicContact CD1-CD1 4.05Å; F692-I696 HydrophobicContact CD1-CG1 4.39Å; F692-I696 HydrophobicContact CD2-CD1 4.4Å; F692-I696 HydrophobicContact CD2-CG1 3.9Å; F692-I696 HydrophobicContact CG-CD1 3.91Å; F692-I696 HydrophobicContact CG-CG1 3.75Å; F692-A697 HydrophobicContact CD2-CB 4.38Å; F692-A697 HydrophobicContact CE2-CB 4.47Å; F692-V700 HydrophobicContact CE2-CB 4.37Å; F692-V700 HydrophobicContact CE2-CG1 4.39Å; F692-V700 HydrophobicContact CE2-CG2 4.29Å; F692-V700 HydrophobicContact CZ-CB 4.38Å; F692-V700 HydrophobicContact CZ-CG1 3.98Å; F692-V700 HydrophobicContact CZ-CG2 4.24Å; F692-C743 VanDerWaalsContact CD2-O 3.23Å; F692-C743 WeakPolarHBondContact CD2-O 3.34Å; F692-C743 PolarHBondContact N-O 3.46Å; F692-I745 HydrophobicContact CE2-CD1 4.03Å; F692-I745 HydrophobicContact CE2-CG1 3.95Å; F692-I745 HydrophobicContact CE2-CG2 4.14Å; F692-I745 HydrophobicContact CZ-CD1 3.8Å; F692-I745 HydrophobicContact CZ-CG1 4.06Å; F692-L761 HydrophobicContact CE1-CD2 4.07Å; F692-I765 HydrophobicContact CD1-CD1 4.27Å; F692-I765 HydrophobicContact CE1-CD1 3.85Å |
| 693 | H | 95.3 | Very high | 91.5 | Very high | 116 Ų | 116 | 43 Ų | 43 | 54% | 0.537 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -65.8 | -33.1 | 172.4 | -79 | -71.4 | 0 | 0 | 0 | 113 | P673 E674 K676 | P673-H693 PolarHBondContact O-CD2 2.63Å; E674-H693 PolarHBondContact O-N 3.17Å; K676-H693 WeakPolarHBondContact CA-NE2 3.3Å |
| 694 | Q | 95.6 | Very high | 93 | Very high | 125 Ų | 125 | 42.3 Ų | 42.3 | 58% | 0.584 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -108.9 | 155.5 | -178.9 | -63.6 | -65.6 | -19.3 | 0 | 0 | 110.3 | F692 I696 | F692-Q694 VanDerWaalsContact C-N 3.29Å; F692-Q694 WeakPolarHBondContact CB-O 3.46Å; F692-Q694 PolarHBondContact O-N 3.12Å; Q694-I696 HydrophobicContact CB-CG1 4.48Å; Q694-I696 HydrophobicContact CB-CG2 3.81Å; Q694-I696 WeakPolarHBondContact O-CG1 3.38Å; Q694-I696 PolarHBondContact O-N 2.89Å |
| 695 | P | 96.1 | Very high | 94.4 | Very high | 80 Ų | 80 | 44.7 Ų | 44.7 | 52% | 0.519 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -75.6 | 66.7 | 176.5 | 32 | -35.6 | 0 | 0 | 0 | 111.4 | H742 | P695-H742 CarbonylContact C-O 3.19Å; P695-H742 WeakPolarHBondContact CA-O 3.31Å; P695-H742 HydrophobicContact CB-CB 4.03Å |
| 696 | I | 97.1 | Very high | 95.2 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 7% | 0.072 | 25% | 0.247 | C | C | . | . | trans | -108.6 | -0.6 | -173.8 | 57.1 | 166.5 | 0 | 0 | 0 | 113.4 | F692 Q694 A698 R699 V700 H742 I765 I768 | F692-I696 HydrophobicContact CB-CD1 4.06Å; F692-I696 HydrophobicContact CB-CG1 3.74Å; F692-I696 HydrophobicContact CD1-CD1 4.05Å; F692-I696 HydrophobicContact CD1-CG1 4.39Å; F692-I696 HydrophobicContact CD2-CD1 4.4Å; F692-I696 HydrophobicContact CD2-CG1 3.9Å; F692-I696 HydrophobicContact CG-CD1 3.91Å; F692-I696 HydrophobicContact CG-CG1 3.75Å; Q694-I696 HydrophobicContact CB-CG1 4.48Å; Q694-I696 HydrophobicContact CB-CG2 3.81Å; Q694-I696 WeakPolarHBondContact O-CG1 3.38Å; Q694-I696 PolarHBondContact O-N 2.89Å; I696-A698 PolarHBondContact O-N 3.43Å; I696-R699 PolarHBondContact O-N 3.1Å; I696-R699 VanDerWaalsContact O-N 3.08Å; I696-V700 HydrophobicContact CB-CG2 4.27Å; I696-V700 HydrophobicContact CD1-CG2 3.86Å; I696-V700 HydrophobicContact CG1-CG2 4.05Å; I696-V700 WeakPolarHBondContact O-CG2 3.5Å; I696-V700 PolarHBondContact O-N 2.7Å; I696-H742 PolarHBondContact N-O 3Å; I696-I765 HydrophobicContact CD1-CG1 4.29Å; I696-I768 HydrophobicContact CB-CD1 3.6Å; I696-I768 HydrophobicContact CD1-CD1 3.64Å; I696-I768 HydrophobicContact CG1-CD1 4.18Å; I696-I768 HydrophobicContact CG2-CD1 3.76Å | ||
| 697 | A | 96.6 | Very high | 96 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -52.8 | -48.5 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F692 R699 V700 L701 H742 I745 | F692-A697 HydrophobicContact CD2-CB 4.38Å; F692-A697 HydrophobicContact CE2-CB 4.47Å; A697-R699 PolarHBondContact O-N 3.49Å; A697-V700 PolarHBondContact O-N 3.29Å; A697-L701 WeakPolarHBondContact O-CG 3.06Å; A697-L701 PolarHBondContact O-N 2.94Å; A697-H742 WeakPolarHBondContact CB-O 3.18Å; A697-H742 PolarHBondContact N-O 3.33Å; A697-I745 HydrophobicContact CB-CG2 3.75Å |
| 698 | A | 95.8 | Very high | 96.4 | Very high | 76 Ų | 76 | 51.2 Ų | 51.2 | 63% | 0.628 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.8 | -41.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I696 L701 E702 | I696-A698 PolarHBondContact O-N 3.43Å; A698-L701 PolarHBondContact O-N 3.31Å; A698-E702 PolarHBondContact O-N 3.43Å; A698-E702 VanDerWaalsContact O-N 3.1Å |
| 699 | R | 97.5 | Very high | 96.8 | Very high | 119 Ų | 119 | 51.4 Ų | 51.4 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 178 | -68.6 | -177.2 | -82.6 | 164.3 | -9.4 | 111.3 | I696 A697 L701 E702 E703 I768 | I696-R699 PolarHBondContact O-N 3.1Å; I696-R699 VanDerWaalsContact O-N 3.08Å; A697-R699 PolarHBondContact O-N 3.49Å; R699-L701 VanDerWaalsContact C-N 3.34Å; R699-L701 PolarHBondContact O-N 2.97Å; R699-E702 PolarHBondContact O-N 2.89Å; R699-E703 WeakPolarHBondContact O-CG 3.4Å; R699-E703 PolarHBondContact O-N 3.15Å; R699-I768 HydrophobicContact CB-CB 4.38Å; R699-I768 HydrophobicContact CB-CG2 3.65Å; R699-I768 PolarHBondContact NH1-O 3.4Å |
| 700 | V | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 173.4 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | F692 I696 A697 E702 E703 A704 I745 I765 I768 | F692-V700 HydrophobicContact CE2-CB 4.37Å; F692-V700 HydrophobicContact CE2-CG1 4.39Å; F692-V700 HydrophobicContact CE2-CG2 4.29Å; F692-V700 HydrophobicContact CZ-CB 4.38Å; F692-V700 HydrophobicContact CZ-CG1 3.98Å; F692-V700 HydrophobicContact CZ-CG2 4.24Å; I696-V700 HydrophobicContact CB-CG2 4.27Å; I696-V700 HydrophobicContact CD1-CG2 3.86Å; I696-V700 HydrophobicContact CG1-CG2 4.05Å; I696-V700 WeakPolarHBondContact O-CG2 3.5Å; I696-V700 PolarHBondContact O-N 2.7Å; A697-V700 PolarHBondContact O-N 3.29Å; V700-E702 PolarHBondContact O-N 3.48Å; V700-E703 PolarHBondContact O-N 3.47Å; V700-A704 WeakPolarHBondContact O-CB 3.45Å; V700-A704 PolarHBondContact O-N 3.15Å; V700-I745 HydrophobicContact CG1-CD1 4.23Å; V700-I765 HydrophobicContact CG2-CG1 3.9Å; V700-I768 HydrophobicContact CG2-CD1 3.85Å |
| 701 | L | 97.8 | Very high | 97.2 | Very high | 37 Ų | 37 | 55.1 Ų | 55.1 | 19% | 0.194 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 176.7 | -69.3 | 178.9 | 0 | 0 | 0 | 112.3 | A697 A698 R699 Q705 F726 R728 I745 | A697-L701 WeakPolarHBondContact O-CG 3.06Å; A697-L701 PolarHBondContact O-N 2.94Å; A698-L701 PolarHBondContact O-N 3.31Å; R699-L701 VanDerWaalsContact C-N 3.34Å; R699-L701 PolarHBondContact O-N 2.97Å; L701-Q705 PolarHBondContact O-N 2.92Å; L701-F726 VanDerWaalsContact CD2-C 3.47Å; L701-F726 HydrophobicContact CD2-CB 3.83Å; L701-R728 HydrophobicContact CD1-CB 4.44Å; L701-I745 HydrophobicContact CD1-CG2 4.09Å; L701-I745 HydrophobicContact CD2-CB 4.06Å; L701-I745 HydrophobicContact CD2-CD1 4.39Å; L701-I745 HydrophobicContact CD2-CG2 3.69Å; L701-I745 HydrophobicContact CG-CG2 3.74Å |
| 702 | E | 98 | Very high | 97.2 | Very high | 111 Ų | 111 | 60.2 Ų | 60.2 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.8 | -46.9 | 177.3 | -168.6 | -168.7 | 149.8 | 0 | 0 | 111.6 | A698 R699 V700 Q705 K706 | A698-E702 PolarHBondContact O-N 3.43Å; A698-E702 VanDerWaalsContact O-N 3.1Å; R699-E702 PolarHBondContact O-N 2.89Å; V700-E702 PolarHBondContact O-N 3.48Å; E702-Q705 PolarHBondContact O-N 3.39Å; E702-K706 PolarHBondContact O-N 2.85Å; E702-K706 IonicContact OE1-NZ 3.33Å; E702-K706 PolarHBondContact OE1-NZ 2.89Å |
| 703 | E | 98.5 | Very high | 97.1 | Very high | 27 Ų | 27 | 62.3 Ų | 62.3 | 13% | 0.126 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70 | -34.4 | 179.9 | -70.9 | -52.5 | 128.3 | 0 | 0 | 112.9 | R699 V700 Q705 K706 R707 S767 I768 | R699-E703 WeakPolarHBondContact O-CG 3.4Å; R699-E703 PolarHBondContact O-N 3.15Å; V700-E703 PolarHBondContact O-N 3.47Å; E703-Q705 VanDerWaalsContact C-N 3.31Å; E703-Q705 PolarHBondContact O-N 3.44Å; E703-K706 PolarHBondContact O-N 3.38Å; E703-K706 IonicContact OE1-NZ 3.46Å; E703-K706 PolarHBondContact OE1-NZ 3.03Å; E703-R707 WeakPolarHBondContact O-CD 3.25Å; E703-R707 PolarHBondContact O-N 3.06Å; E703-R707 PolarHBondContact O-NH1 3.09Å; E703-R707 IonicContact OE2-CZ 2.91Å; E703-R707 IonicContact OE2-NH1 2.99Å; E703-R707 PolarHBondContact OE2-NH1 3.13Å; E703-R707 IonicContact OE2-NH2 3.22Å; E703-S767 PolarHBondContact OE2-OG 3.33Å; E703-I768 HydrophobicContact CG-CG2 3.88Å |
| 704 | A | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.1 | -36.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V700 K706 R707 G708 A709 F726 I760 S764 | V700-A704 WeakPolarHBondContact O-CB 3.45Å; V700-A704 PolarHBondContact O-N 3.15Å; A704-K706 VanDerWaalsContact C-N 3.33Å; A704-K706 PolarHBondContact O-N 3.41Å; A704-R707 CarbonylContact O-C 3.26Å; A704-R707 WeakPolarHBondContact O-CA 3.15Å; A704-R707 PolarHBondContact O-N 3.48Å; A704-G708 PolarHBondContact O-N 3.33Å; A704-A709 HydrophobicContact CB-CB 3.94Å; A704-A709 VanDerWaalsContact O-CB 3.31Å; A704-A709 WeakPolarHBondContact O-CB 3.43Å; A704-A709 PolarHBondContact O-N 3.45Å; A704-F726 HydrophobicContact CB-CB 4.26Å; A704-F726 HydrophobicContact CB-CD1 3.75Å; A704-F726 HydrophobicContact CB-CE1 4.3Å; A704-F726 HydrophobicContact CB-CG 4.09Å; A704-I760 HydrophobicContact CB-CG2 3.81Å; A704-S764 WeakPolarHBondContact CA-OG 3.31Å; A704-S764 PolarHBondContact N-OG 3.32Å |
| 705 | Q | 97.9 | Very high | 96.3 | Very high | 93 Ų | 93 | 55.8 Ų | 55.8 | 44% | 0.435 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 175.6 | 179.8 | -81.4 | -37.9 | 0 | 0 | 111.5 | L701 E702 E703 R707 G708 P711 | L701-Q705 PolarHBondContact O-N 2.92Å; E702-Q705 PolarHBondContact O-N 3.39Å; E703-Q705 VanDerWaalsContact C-N 3.31Å; E703-Q705 PolarHBondContact O-N 3.44Å; Q705-R707 PolarHBondContact O-N 2.82Å; Q705-R707 VanDerWaalsContact O-N 3.14Å; Q705-G708 PolarHBondContact O-N 3.41Å; Q705-G708 VanDerWaalsContact O-N 3.16Å; Q705-P711 HydrophobicContact CB-CB 4.23Å; Q705-P711 HydrophobicContact CG-CB 3.81Å; Q705-P711 HydrophobicContact CG-CG 3.82Å |
| 706 | K | 98.1 | Very high | 95.7 | Very high | 113 Ų | 113 | 52.6 Ų | 52.6 | 49% | 0.491 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.3 | -20.1 | 176.2 | -61.7 | 170.3 | -168.9 | 164.8 | 0 | 112.5 | E702 E703 A704 | E702-K706 PolarHBondContact O-N 2.85Å; E702-K706 IonicContact OE1-NZ 3.33Å; E702-K706 PolarHBondContact OE1-NZ 2.89Å; E703-K706 PolarHBondContact O-N 3.38Å; E703-K706 IonicContact OE1-NZ 3.46Å; E703-K706 PolarHBondContact OE1-NZ 3.03Å; A704-K706 VanDerWaalsContact C-N 3.33Å; A704-K706 PolarHBondContact O-N 3.41Å |
| 707 | R | 98.1 | Very high | 95.5 | Very high | 60 Ų | 60 | 52 Ų | 52 | 23% | 0.226 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 14.1 | -178.5 | -67.5 | 161.7 | 179.9 | 75.3 | -4.7 | 113.7 | E703 A704 Q705 I760 E763 S767 | E703-R707 WeakPolarHBondContact O-CD 3.25Å; E703-R707 PolarHBondContact O-N 3.06Å; E703-R707 PolarHBondContact O-NH1 3.09Å; E703-R707 IonicContact OE2-CZ 2.91Å; E703-R707 IonicContact OE2-NH1 2.99Å; E703-R707 PolarHBondContact OE2-NH1 3.13Å; E703-R707 IonicContact OE2-NH2 3.22Å; A704-R707 CarbonylContact O-C 3.26Å; A704-R707 WeakPolarHBondContact O-CA 3.15Å; A704-R707 PolarHBondContact O-N 3.48Å; Q705-R707 PolarHBondContact O-N 2.82Å; Q705-R707 VanDerWaalsContact O-N 3.14Å; R707-I760 HydrophobicContact CB-CG1 4.34Å; R707-I760 HydrophobicContact CB-CG2 4.22Å; R707-E763 VanDerWaalsContact NE-C 3.34Å; R707-E763 PolarHBondContact NE-O 3.35Å; R707-E763 IonicContact NE-OE2 2.71Å; R707-E763 PolarHBondContact NH2-O 3.24Å; R707-S767 PolarHBondContact NH2-OG 3.32Å; R707-S767 VanDerWaalsContact NH2-OG 3.13Å |
| 708 | G | 97.3 | Very high | 95.4 | Very high | 43 Ų | 43 | 52 Ų | 52 | 44% | 0.443 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | 3.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A704 Q705 P723 | A704-G708 PolarHBondContact O-N 3.33Å; Q705-G708 PolarHBondContact O-N 3.41Å; Q705-G708 VanDerWaalsContact O-N 3.16Å; G708-P723 WeakPolarHBondContact O-CB 3.43Å |
| 709 | A | 98.2 | Very high | 95.4 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.033 | 26% | 0.26 | C | S | . | . | trans | -69.8 | 142.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A704 P711 P724 F726 I760 | A704-A709 HydrophobicContact CB-CB 3.94Å; A704-A709 VanDerWaalsContact O-CB 3.31Å; A704-A709 WeakPolarHBondContact O-CB 3.43Å; A704-A709 PolarHBondContact O-N 3.45Å; A709-P711 WeakPolarHBondContact O-CD 3.31Å; A709-P724 CarbonylContact C-O 3.56Å; A709-P724 VanDerWaalsContact CA-O 3.31Å; A709-P724 WeakPolarHBondContact CA-O 3.15Å; A709-F726 HydrophobicContact CB-CB 3.95Å; A709-F726 HydrophobicContact CB-CD2 3.73Å; A709-F726 HydrophobicContact CB-CE2 4.45Å; A709-F726 HydrophobicContact CB-CG 3.95Å; A709-I760 HydrophobicContact CB-CG2 4.37Å | ||
| 710 | L | 98.3 | Very high | 95.4 | Very high | 39 Ų | 39 | 51.3 Ų | 51.3 | 20% | 0.204 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -69 | 130.8 | 171.3 | -57.1 | 180 | 0 | 0 | 0 | 108.8 | E721 P723 P724 L725 F726 | L710-E721 HydrophobicContact CD1-CB 3.95Å; L710-E721 HydrophobicContact CD1-CG 3.93Å; L710-P723 HydrophobicContact CD2-CB 4.29Å; L710-P723 HydrophobicContact CD2-CG 4.09Å; L710-P723 HydrophobicContact CG-CB 4.2Å; L710-P723 HydrophobicContact CG-CG 4.45Å; L710-P724 PolarHBondContact N-O 3.25Å; L710-L725 HydrophobicContact CB-CB 4.32Å; L710-L725 HydrophobicContact CB-CD1 4Å; L710-L725 WeakPolarHBondContact O-CD1 3.17Å; L710-F726 PolarHBondContact O-N 3.19Å; L710-F726 VanDerWaalsContact O-N 3.12Å |
| 711 | P | 96.7 | Very high | 95.3 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 34% | 0.344 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -88.8 | -10.9 | -179.1 | 31.4 | -32.9 | 0 | 0 | 0 | 114 | Q705 A709 Y727 | Q705-P711 HydrophobicContact CB-CB 4.23Å; Q705-P711 HydrophobicContact CG-CB 3.81Å; Q705-P711 HydrophobicContact CG-CG 3.82Å; A709-P711 WeakPolarHBondContact O-CD 3.31Å; P711-Y727 WeakPolarHBondContact O-CD2 3.25Å; P711-Y727 VanDerWaalsContact O-CE2 3.25Å; P711-Y727 WeakPolarHBondContact O-CE2 3.41Å |
| 712 | Y | 95.5 | Very high | 95.3 | Very high | 152 Ų | 152 | 54.6 Ų | 54.6 | 60% | 0.596 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -157.2 | 153.6 | 178.1 | 46.8 | -102.5 | 0 | 0 | 0 | 110.9 | L725 | Y712-L725 VanDerWaalsContact C-CD1 3.5Š|
| 713 | P | 93.7 | Very high | 95.3 | Very high | 46 Ų | 46 | 51.8 Ų | 51.8 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | trans | -78.3 | 157.8 | 177.2 | 32.1 | -35.3 | 0 | 0 | 0 | 112.5 | A716 E721 L725 Y727 | P713-A716 HydrophobicContact CB-CB 4.01Å; P713-E721 WeakPolarHBondContact CA-OE1 3.48Å; P713-L725 HydrophobicContact CB-CD2 4.17Å; P713-Y727 HydrophobicContact CG-CE1 4.19Å | ||
| 714 | V | 93 | Very high | 95.3 | Very high | 88 Ų | 88 | 50.7 Ų | 50.7 | 53% | 0.533 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -104.7 | -68.7 | 172.9 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | F602 Y720 E721 | F602-V714 HydrophobicContact CE1-CG1 4.07Å; F602-V714 HydrophobicContact CZ-CG1 3.98Å; V714-Y720 HydrophobicContact CG1-CD2 4.28Å; V714-E721 HydrophobicContact CB-CG 4.28Å; V714-E721 HydrophobicContact CG2-CG 4.27Å; V714-E721 PolarHBondContact N-OE1 3.47Å |
| 715 | G | 82.2 | Confident | 95.2 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 17% | 0.165 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -91.8 | -23.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y580 K603 E721 | Y580-G715 PolarHBondContact OH-O 3.21Å; K603-G715 WeakPolarHBondContact CE-O 3.2Å; G715-E721 PolarHBondContact N-OE2 3.46Å; G715-E721 VanDerWaalsContact N-OE2 3.1Å |
| 716 | A | 83.5 | Confident | 95.2 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 11% | 0.107 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 55.5 | 125.4 | -132.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y580 P713 S718 E721 | Y580-A716 HydrophobicContact CE1-CB 3.82Å; Y580-A716 WeakPolarHBondContact OH-CB 3.43Å; P713-A716 HydrophobicContact CB-CB 4.01Å; A716-S718 VanDerWaalsContact C-N 3.27Å; A716-S718 PolarHBondContact O-N 2.91Å; A716-E721 WeakPolarHBondContact CA-OE1 3.35Å; A716-E721 WeakPolarHBondContact CA-OE2 3.48Å; A716-E721 PolarHBondContact N-OE1 2.99Å; A716-E721 PolarHBondContact N-OE2 2.84Å |
| 717 | E | 91.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 64.5 | 23.1 | 179.7 | -54.3 | 173.4 | 174.4 | 0 | 0 | 115.2 | K584 F605 H653 S685 E721 N748 | K584-E717 VanDerWaalsContact CE-OE2 3.29Å; K584-E717 WeakPolarHBondContact CE-OE2 3.47Å; K584-E717 IonicContact NZ-OE1 2.97Å; K584-E717 PolarHBondContact NZ-OE1 3.37Å; K584-E717 IonicContact NZ-OE2 2.75Å; K584-E717 PolarHBondContact NZ-OE2 3.3Å; F605-E717 VanDerWaalsContact CD1-O 3.28Å; F605-E717 WeakPolarHBondContact CD1-O 3.43Å; F605-E717 WeakPolarHBondContact CE1-O 3.4Å; H653-E717 IonicContact CE1-OE2 3.45Å; H653-E717 PolarHBondContact CE1-OE2 3.31Å; S685-E717 PolarHBondContact OG-OE1 3.03Å; E717-E721 PolarHBondContact N-OE2 2.89Å; E717-N748 PolarHBondContact OE1-ND2 3.44Å |
| 718 | S | 96 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -71.7 | 171 | 171.9 | 70.3 | 0 | 0 | 0 | 0 | 112.7 | F602 A716 Y720 E721 | F602-S718 VanDerWaalsContact O-CA 3.31Å; F602-S718 WeakPolarHBondContact O-CA 3.27Å; F602-S718 WeakPolarHBondContact O-CB 3.43Å; A716-S718 VanDerWaalsContact C-N 3.27Å; A716-S718 PolarHBondContact O-N 2.91Å; S718-Y720 PolarHBondContact O-N 3.49Å; S718-Y720 VanDerWaalsContact O-N 3.09Å; S718-Y720 PolarHBondContact OG-N 2.84Å; S718-E721 VanDerWaalsContact CB-OE2 3.26Å; S718-E721 WeakPolarHBondContact CB-OE2 3.45Å; S718-E721 PolarHBondContact N-OE2 2.83Å; S718-E721 PolarHBondContact O-N 2.96Å; S718-E721 VanDerWaalsContact O-N 3.11Å; S718-E721 PolarHBondContact OG-OE2 3.35Å | ||
| 719 | K | 96.1 | Very high | 94.2 | Very high | 66 Ų | 66 | 45.1 Ų | 45.1 | 29% | 0.287 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -19 | 174.2 | 64.1 | -173.5 | 173.5 | -174.8 | 0 | 113.9 | F605 E608 E641 | F605-K719 HydrophobicContact CB-CB 4.36Å; E608-K719 IonicContact OE2-NZ 3.57Å; E608-K719 PolarHBondContact OE2-NZ 3.06Å; E641-K719 IonicContact OE1-NZ 3.58Å; E641-K719 PolarHBondContact OE1-NZ 3.48Å |
| 720 | Y | 97.1 | Very high | 93.2 | Very high | 116 Ų | 116 | 45.5 Ų | 45.5 | 46% | 0.455 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -24.6 | 178.8 | -57.2 | -60.4 | 0 | 0 | 0 | 113.6 | F602 E608 V714 S718 I722 | F602-Y720 HydrophobicContact CE2-CD2 4.05Å; F602-Y720 AromaticContact CE2-CE2 3.74Å; F602-Y720 HydrophobicContact CE2-CE2 3.74Å; F602-Y720 AromaticContact CZ-CD2 3.85Å; F602-Y720 HydrophobicContact CZ-CD2 3.85Å; F602-Y720 AromaticContact CZ-CE2 3.79Å; F602-Y720 HydrophobicContact CZ-CE2 3.79Å; E608-Y720 WeakPolarHBondContact OE1-CE2 3.41Å; E608-Y720 PolarHBondContact OE1-OH 3.4Å; V714-Y720 HydrophobicContact CG1-CD2 4.28Å; S718-Y720 PolarHBondContact O-N 3.49Å; S718-Y720 VanDerWaalsContact O-N 3.09Å; S718-Y720 PolarHBondContact OG-N 2.84Å; Y720-I722 PolarHBondContact O-N 3.19Å |
| 721 | E | 96.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | trans | -90.3 | 77.7 | -169 | -68.3 | 163.8 | 103.5 | 0 | 0 | 109.2 | L710 P713 V714 G715 A716 E717 S718 N750 R751 | L710-E721 HydrophobicContact CD1-CB 3.95Å; L710-E721 HydrophobicContact CD1-CG 3.93Å; P713-E721 WeakPolarHBondContact CA-OE1 3.48Å; V714-E721 HydrophobicContact CB-CG 4.28Å; V714-E721 HydrophobicContact CG2-CG 4.27Å; V714-E721 PolarHBondContact N-OE1 3.47Å; G715-E721 PolarHBondContact N-OE2 3.46Å; G715-E721 VanDerWaalsContact N-OE2 3.1Å; A716-E721 WeakPolarHBondContact CA-OE1 3.35Å; A716-E721 WeakPolarHBondContact CA-OE2 3.48Å; A716-E721 PolarHBondContact N-OE1 2.99Å; A716-E721 PolarHBondContact N-OE2 2.84Å; E717-E721 PolarHBondContact N-OE2 2.89Å; S718-E721 VanDerWaalsContact CB-OE2 3.26Å; S718-E721 WeakPolarHBondContact CB-OE2 3.45Å; S718-E721 PolarHBondContact N-OE2 2.83Å; S718-E721 PolarHBondContact O-N 2.96Å; S718-E721 VanDerWaalsContact O-N 3.11Å; S718-E721 PolarHBondContact OG-OE2 3.35Å; E721-N750 VanDerWaalsContact O-CB 3.32Å; E721-N750 WeakPolarHBondContact O-CB 3.33Å; E721-R751 PolarHBondContact O-NH1 3.42Å | ||
| 722 | I | 96.9 | Very high | 90.7 | Very high | 104 Ų | 104 | 44.9 Ų | 44.9 | 53% | 0.533 | 23% | 0.23 | S | C | . | . | trans | -89 | -53.7 | 178.7 | -57.5 | 172.8 | 0 | 0 | 0 | 111.5 | Y720 N750 R751 | Y720-I722 PolarHBondContact O-N 3.19Å; I722-N750 WeakPolarHBondContact O-CB 3.46Å; I722-R751 HydrophobicContact CB-CG 4.42Å; I722-R751 HydrophobicContact CG2-CB 3.87Å; I722-R751 HydrophobicContact CG2-CG 4.17Å; I722-R751 WeakPolarHBondContact O-CB 3.21Å; I722-R751 PolarHBondContact O-N 3.43Å | ||
| 723 | P | 98.2 | Very high | 89.6 | Confident | 52 Ų | 52 | 39.8 Ų | 39.8 | 34% | 0.338 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -67.2 | 163.5 | 177.5 | -15.5 | 31.8 | 0 | 0 | 0 | 112.1 | G708 L710 N750 | G708-P723 WeakPolarHBondContact O-CB 3.43Å; L710-P723 HydrophobicContact CD2-CB 4.29Å; L710-P723 HydrophobicContact CD2-CG 4.09Å; L710-P723 HydrophobicContact CG-CB 4.2Å; L710-P723 HydrophobicContact CG-CG 4.45Å; P723-N750 WeakPolarHBondContact O-CB 3.48Å; P723-N750 PolarHBondContact O-ND2 2.88Å |
| 724 | P | 97.7 | Very high | 88.8 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.019 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 140.1 | 179.3 | 28.7 | -31.7 | 0 | 0 | 0 | 111.1 | A709 L710 F726 N748 S752 V757 I760 | A709-P724 CarbonylContact C-O 3.56Å; A709-P724 VanDerWaalsContact CA-O 3.31Å; A709-P724 WeakPolarHBondContact CA-O 3.15Å; L710-P724 PolarHBondContact N-O 3.25Å; P724-F726 HydrophobicContact CB-CD2 4.31Å; P724-F726 HydrophobicContact CB-CE2 4.1Å; P724-F726 HydrophobicContact CG-CE2 4.26Å; P724-N748 CarbonylContact C-O 3.02Å; P724-N748 WeakPolarHBondContact CA-O 3.49Å; P724-S752 WeakPolarHBondContact CB-OG 3.48Å; P724-V757 HydrophobicContact CB-CG2 4.02Å; P724-V757 HydrophobicContact CG-CG2 4.34Å; P724-I760 HydrophobicContact CG-CD1 3.94Å |
| 725 | L | 97.6 | Very high | 87.8 | Confident | 15 Ų | 15 | 44.9 Ų | 44.9 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 120.2 | 172.1 | 170.9 | 73.3 | 0 | 0 | 0 | 109.3 | L710 Y712 P713 Y727 I747 N748 | L710-L725 HydrophobicContact CB-CB 4.32Å; L710-L725 HydrophobicContact CB-CD1 4Å; L710-L725 WeakPolarHBondContact O-CD1 3.17Å; Y712-L725 VanDerWaalsContact C-CD1 3.5Å; P713-L725 HydrophobicContact CB-CD2 4.17Å; L725-Y727 HydrophobicContact CD1-CG 4.35Å; L725-I747 WeakPolarHBondContact O-CA 3.39Å; L725-N748 HydrophobicContact CB-CB 4.2Å; L725-N748 HydrophobicContact CD2-CB 4.47Å; L725-N748 PolarHBondContact N-O 3.5Å; L725-N748 PolarHBondContact O-N 3.02Å |
| 726 | F | 97.5 | Very high | 87.3 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 115.1 | 169.3 | -83.6 | -127.8 | 0 | 0 | 0 | 107 | L701 A704 A709 L710 P724 I745 I747 V757 I760 L761 | L701-F726 VanDerWaalsContact CD2-C 3.47Å; L701-F726 HydrophobicContact CD2-CB 3.83Å; A704-F726 HydrophobicContact CB-CB 4.26Å; A704-F726 HydrophobicContact CB-CD1 3.75Å; A704-F726 HydrophobicContact CB-CE1 4.3Å; A704-F726 HydrophobicContact CB-CG 4.09Å; A709-F726 HydrophobicContact CB-CB 3.95Å; A709-F726 HydrophobicContact CB-CD2 3.73Å; A709-F726 HydrophobicContact CB-CE2 4.45Å; A709-F726 HydrophobicContact CB-CG 3.95Å; L710-F726 PolarHBondContact O-N 3.19Å; L710-F726 VanDerWaalsContact O-N 3.12Å; P724-F726 HydrophobicContact CB-CD2 4.31Å; P724-F726 HydrophobicContact CB-CE2 4.1Å; P724-F726 HydrophobicContact CG-CE2 4.26Å; F726-I745 HydrophobicContact CD1-CD1 3.72Å; F726-I745 HydrophobicContact CE1-CD1 4.1Å; F726-I747 HydrophobicContact CD1-CD1 4.23Å; F726-I747 HydrophobicContact CD1-CG1 4.18Å; F726-I747 HydrophobicContact CD2-CG1 4.25Å; F726-I747 HydrophobicContact CD2-CG2 4.14Å; F726-I747 HydrophobicContact CE1-CD1 3.66Å; F726-I747 HydrophobicContact CE1-CG1 4.09Å; F726-I747 HydrophobicContact CE2-CD1 4.13Å; F726-I747 HydrophobicContact CE2-CG1 4.17Å; F726-I747 HydrophobicContact CE2-CG2 3.78Å; F726-I747 HydrophobicContact CG-CG1 4.26Å; F726-I747 HydrophobicContact CZ-CD1 3.61Å; F726-I747 HydrophobicContact CZ-CG1 4.09Å; F726-I747 HydrophobicContact CZ-CG2 4.29Å; F726-V757 HydrophobicContact CE2-CG1 3.94Å; F726-V757 HydrophobicContact CZ-CG1 3.83Å; F726-I760 HydrophobicContact CE1-CG2 4.39Å; F726-I760 HydrophobicContact CE2-CG2 4.46Å; F726-I760 HydrophobicContact CZ-CG2 4.14Å; F726-L761 HydrophobicContact CE1-CB 4.28Å; F726-L761 HydrophobicContact CE1-CD1 4.31Å; F726-L761 HydrophobicContact CE1-CG 4.12Å; F726-L761 HydrophobicContact CZ-CB 4.36Å; F726-L761 HydrophobicContact CZ-CD1 4.48Å |
| 727 | Y | 95.4 | Very high | 86.9 | Confident | 40 Ų | 40 | 51 Ų | 51 | 16% | 0.157 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 157.5 | -169.1 | -158 | -133.7 | 0 | 0 | 0 | 113.5 | P711 P713 L725 R746 | P711-Y727 WeakPolarHBondContact O-CD2 3.25Å; P711-Y727 VanDerWaalsContact O-CE2 3.25Å; P711-Y727 WeakPolarHBondContact O-CE2 3.41Å; P713-Y727 HydrophobicContact CG-CE1 4.19Å; L725-Y727 HydrophobicContact CD1-CG 4.35Å; Y727-R746 PolarHBondContact N-O 3.32Å; Y727-R746 PolarHBondContact O-N 3.06Å |
| 728 | R | 91.3 | Very high | 86.3 | Confident | 132 Ų | 132 | 54.9 Ų | 54.9 | 50% | 0.498 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 157.6 | 173.4 | 64.9 | 178.4 | -176.5 | -99.8 | 2.1 | 111.8 | L701 R746 | L701-R728 HydrophobicContact CD1-CB 4.44Å; R728-R746 VanDerWaalsContact O-CZ 3.24Å; R728-R746 PolarHBondContact O-NE 3.42Å; R728-R746 PolarHBondContact O-NH2 3.01Å |
| 729 | L | 84.8 | Confident | 85.6 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 156.6 | 172.4 | -63.3 | 179.1 | 0 | 0 | 0 | 112.4 | I689 F733 R734 A744 R746 | I689-L729 HydrophobicContact CG2-CD2 4.04Å; L729-F733 HydrophobicContact CB-CB 4.5Å; L729-F733 HydrophobicContact CD1-CD1 3.76Å; L729-F733 HydrophobicContact CD1-CE1 4.19Å; L729-R734 HydrophobicContact CB-CG 3.74Å; L729-R734 PolarHBondContact O-NE 3.09Å; L729-A744 HydrophobicContact CD1-CB 3.96Å; L729-A744 HydrophobicContact CD2-CB 4.09Å; L729-A744 HydrophobicContact CG-CB 4.3Å; L729-R746 HydrophobicContact CD2-CG 4.03Å |
| 730 | S | 77.9 | Confident | 84.9 | Confident | 11 Ų | 11 | 60 Ų | 60 | 8% | 0.077 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 157.2 | 179.4 | 70.3 | 0 | 0 | 0 | 0 | 111.2 | T732 F733 R734 | S730-T732 PolarHBondContact O-N 3.31Å; S730-T732 PolarHBondContact OG-OG1 3.27Å; S730-F733 PolarHBondContact O-N 2.78Å; S730-F733 WeakPolarHBondContact OG-CB 3.39Å; S730-F733 PolarHBondContact OG-N 3.4Å; S730-F733 VanDerWaalsContact OG-N 3.15Å; S730-R734 WeakPolarHBondContact O-CG 3.21Å; S730-R734 PolarHBondContact O-N 3.12Å |
| 731 | G | 75.4 | Confident | 84.5 | Confident | 36 Ų | 36 | 58.2 Ų | 58.2 | 37% | 0.371 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.9 | -40.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R734 Q735 | G731-R734 PolarHBondContact O-N 3.21Å; G731-Q735 WeakPolarHBondContact O-CG 3.49Å; G731-Q735 PolarHBondContact O-N 2.74Å; G731-Q735 VanDerWaalsContact O-N 3.08Å |
| 732 | T | 67.8 | Low | 84.3 | Confident | 43 Ų | 43 | 62.3 Ų | 62.3 | 26% | 0.264 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 177.7 | 51.5 | 0 | 0 | 0 | 0 | 112 | P506 S730 R734 Q735 A736 | P506-T732 HydrophobicContact CB-CG2 3.5Å; P506-T732 HydrophobicContact CG-CG2 3.78Å; S730-T732 PolarHBondContact O-N 3.31Å; S730-T732 PolarHBondContact OG-OG1 3.27Å; T732-R734 VanDerWaalsContact C-N 3.35Å; T732-R734 PolarHBondContact O-N 3.49Å; T732-Q735 PolarHBondContact O-N 3.24Å; T732-A736 PolarHBondContact O-N 3.49Å; T732-A736 VanDerWaalsContact O-N 3.14Å |
| 733 | F | 72.4 | Confident | 84.1 | Confident | 46 Ų | 46 | 58.8 Ų | 58.8 | 20% | 0.202 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.8 | -36 | -179.8 | -153.9 | -80.6 | 0 | 0 | 0 | 112.1 | P554 I689 L729 S730 A736 N737 | P554-F733 HydrophobicContact CG-CD2 3.89Å; P554-F733 HydrophobicContact CG-CE2 3.54Å; I689-F733 HydrophobicContact CD1-CE2 4.08Å; I689-F733 HydrophobicContact CD1-CZ 4.33Å; L729-F733 HydrophobicContact CB-CB 4.5Å; L729-F733 HydrophobicContact CD1-CD1 3.76Å; L729-F733 HydrophobicContact CD1-CE1 4.19Å; S730-F733 PolarHBondContact O-N 2.78Å; S730-F733 WeakPolarHBondContact OG-CB 3.39Å; S730-F733 PolarHBondContact OG-N 3.4Å; S730-F733 VanDerWaalsContact OG-N 3.15Å; F733-A736 PolarHBondContact O-N 3.49Å; F733-N737 PolarHBondContact O-N 3.35Å |
| 734 | R | 77.1 | Confident | 84 | Confident | 80 Ų | 80 | 56.6 Ų | 56.6 | 30% | 0.302 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.8 | -32.1 | 176.1 | -66.5 | -176.4 | -55.5 | 110.5 | 5.4 | 113 | L729 S730 G731 T732 N737 P738 E741 | L729-R734 HydrophobicContact CB-CG 3.74Å; L729-R734 PolarHBondContact O-NE 3.09Å; S730-R734 WeakPolarHBondContact O-CG 3.21Å; S730-R734 PolarHBondContact O-N 3.12Å; G731-R734 PolarHBondContact O-N 3.21Å; T732-R734 VanDerWaalsContact C-N 3.35Å; T732-R734 PolarHBondContact O-N 3.49Å; R734-N737 CarbonylContact O-C 3.59Å; R734-P738 VanDerWaalsContact O-CA 3.23Å; R734-P738 WeakPolarHBondContact O-CA 3.41Å; R734-P738 VanDerWaalsContact O-N 3.15Å; R734-E741 WeakPolarHBondContact CD-OE2 3.48Å; R734-E741 HydrophobicContact CG-CB 4.08Å; R734-E741 IonicContact NH1-OE2 3.18Å; R734-E741 PolarHBondContact NH1-OE2 3.42Å |
| 735 | Q | 72.6 | Confident | 83.9 | Confident | 161 Ų | 161 | 56.4 Ų | 56.4 | 75% | 0.752 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -68.1 | -39.5 | 173.2 | -77.1 | 179.3 | -6.4 | 0 | 0 | 111.7 | G731 T732 | G731-Q735 WeakPolarHBondContact O-CG 3.49Å; G731-Q735 PolarHBondContact O-N 2.74Å; G731-Q735 VanDerWaalsContact O-N 3.08Å; T732-Q735 PolarHBondContact O-N 3.24Å |
| 736 | A | 70.4 | Confident | 83.7 | Confident | 71 Ų | 71 | 57.7 Ų | 57.7 | 59% | 0.587 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -71 | -40.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | T732 F733 | T732-A736 PolarHBondContact O-N 3.49Å; T732-A736 VanDerWaalsContact O-N 3.14Å; F733-A736 PolarHBondContact O-N 3.49Å |
| 737 | N | 75.7 | Confident | 83.6 | Confident | 87 Ų | 87 | 57.5 Ų | 57.5 | 47% | 0.465 | 30% | 0.298 | S | S | . | . | trans | -133.5 | 86 | 179 | -76.8 | -53.8 | 0 | 0 | 0 | 111.4 | F733 R734 Q739 S740 | F733-N737 PolarHBondContact O-N 3.35Å; R734-N737 CarbonylContact O-C 3.59Å; N737-Q739 VanDerWaalsContact C-N 3.28Å; N737-Q739 PolarHBondContact O-N 3.09Å; N737-S740 WeakPolarHBondContact CB-OG 3.44Å; N737-S740 WeakPolarHBondContact O-CB 3.29Å; N737-S740 PolarHBondContact O-N 3.49Å; N737-S740 VanDerWaalsContact O-N 3.13Å | ||
| 738 | P | 79 | Confident | 83.6 | Confident | 81 Ų | 81 | 55.9 Ų | 55.9 | 53% | 0.526 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -37.8 | -177.3 | -26.1 | 34.7 | 0 | 0 | 0 | 113.4 | R734 S740 E741 | R734-P738 VanDerWaalsContact O-CA 3.23Å; R734-P738 WeakPolarHBondContact O-CA 3.41Å; R734-P738 VanDerWaalsContact O-N 3.15Å; P738-S740 VanDerWaalsContact C-N 3.27Å; P738-S740 PolarHBondContact O-N 3.16Å; P738-E741 WeakPolarHBondContact O-CG 3.49Å; P738-E741 PolarHBondContact O-N 3.35Å |
| 739 | Q | 80.8 | Confident | 83.8 | Confident | 147 Ų | 147 | 49.6 Ų | 49.6 | 69% | 0.687 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -24.4 | -178.8 | -65.9 | -63.1 | -35.5 | 0 | 0 | 113.2 | N737 E741 H742 | N737-Q739 VanDerWaalsContact C-N 3.28Å; N737-Q739 PolarHBondContact O-N 3.09Å; Q739-E741 PolarHBondContact O-N 3.28Å; Q739-H742 PolarHBondContact O-N 3.16Å |
| 740 | S | 82.1 | Confident | 84.3 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 19% | 0.189 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.1 | -21.6 | -177.7 | -64.2 | 0 | 0 | 0 | 0 | 112.7 | N737 P738 H742 C743 A744 | N737-S740 WeakPolarHBondContact CB-OG 3.44Å; N737-S740 WeakPolarHBondContact O-CB 3.29Å; N737-S740 PolarHBondContact O-N 3.49Å; N737-S740 VanDerWaalsContact O-N 3.13Å; P738-S740 VanDerWaalsContact C-N 3.27Å; P738-S740 PolarHBondContact O-N 3.16Å; S740-H742 PolarHBondContact O-N 3.38Å; S740-C743 PolarHBondContact O-N 3.43Å; S740-A744 WeakPolarHBondContact O-CB 3.43Å; S740-A744 PolarHBondContact O-N 3.02Å |
| 741 | E | 87 | Confident | 85.1 | Confident | 79 Ų | 79 | 52 Ų | 52 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.2 | -25.2 | 179.5 | 81.5 | 175 | -158.7 | 0 | 0 | 113.3 | R734 P738 Q739 | R734-E741 WeakPolarHBondContact CD-OE2 3.48Å; R734-E741 HydrophobicContact CG-CB 4.08Å; R734-E741 IonicContact NH1-OE2 3.18Å; R734-E741 PolarHBondContact NH1-OE2 3.42Å; P738-E741 WeakPolarHBondContact O-CG 3.49Å; P738-E741 PolarHBondContact O-N 3.35Å; Q739-E741 PolarHBondContact O-N 3.28Å |
| 742 | H | 92.1 | Very high | 86.1 | Confident | 88 Ų | 88 | 51 Ų | 51 | 41% | 0.407 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -80.7 | -24.4 | 178.8 | -58 | -49 | 0 | 0 | 0 | 112.5 | P695 I696 A697 Q739 S740 | P695-H742 CarbonylContact C-O 3.19Å; P695-H742 WeakPolarHBondContact CA-O 3.31Å; P695-H742 HydrophobicContact CB-CB 4.03Å; I696-H742 PolarHBondContact N-O 3Å; A697-H742 WeakPolarHBondContact CB-O 3.18Å; A697-H742 PolarHBondContact N-O 3.33Å; Q739-H742 PolarHBondContact O-N 3.16Å; S740-H742 PolarHBondContact O-N 3.38Å |
| 743 | C | 94.3 | Very high | 87.4 | Confident | 30 Ų | 30 | 50.5 Ų | 50.5 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -114.6 | -14.6 | -172.9 | -58.6 | 0 | 0 | 0 | 0 | 113.7 | E691 F692 S740 | E691-C743 CarbonylContact C-O 3.57Å; E691-C743 WeakPolarHBondContact CA-O 2.9Å; E691-C743 HydrophobicContact CG-CB 4.26Å; F692-C743 VanDerWaalsContact CD2-O 3.23Å; F692-C743 WeakPolarHBondContact CD2-O 3.34Å; F692-C743 PolarHBondContact N-O 3.46Å; S740-C743 PolarHBondContact O-N 3.43Å |
| 744 | A | 94.3 | Very high | 88.4 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 144.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I689 V690 E691 L729 S740 | I689-A744 HydrophobicContact CG2-CB 4.3Å; V690-A744 CarbonylContact O-C 3.48Å; V690-A744 WeakPolarHBondContact O-CA 3.47Å; E691-A744 HydrophobicContact CB-CB 4.3Å; E691-A744 HydrophobicContact CG-CB 4.38Å; L729-A744 HydrophobicContact CD1-CB 3.96Å; L729-A744 HydrophobicContact CD2-CB 4.09Å; L729-A744 HydrophobicContact CG-CB 4.3Å; S740-A744 WeakPolarHBondContact O-CB 3.43Å; S740-A744 PolarHBondContact O-N 3.02Å |
| 745 | I | 95.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 157.8 | 176 | 63.3 | 172.1 | 0 | 0 | 0 | 110.7 | I689 V690 F692 A697 V700 L701 F726 I747 | I689-I745 WeakPolarHBondContact CA-O 3.33Å; V690-I745 HydrophobicContact CB-CG1 4.2Å; V690-I745 PolarHBondContact N-O 2.77Å; V690-I745 PolarHBondContact O-N 3.39Å; F692-I745 HydrophobicContact CE2-CD1 4.03Å; F692-I745 HydrophobicContact CE2-CG1 3.95Å; F692-I745 HydrophobicContact CE2-CG2 4.14Å; F692-I745 HydrophobicContact CZ-CD1 3.8Å; F692-I745 HydrophobicContact CZ-CG1 4.06Å; A697-I745 HydrophobicContact CB-CG2 3.75Å; V700-I745 HydrophobicContact CG1-CD1 4.23Å; L701-I745 HydrophobicContact CD1-CG2 4.09Å; L701-I745 HydrophobicContact CD2-CB 4.06Å; L701-I745 HydrophobicContact CD2-CD1 4.39Å; L701-I745 HydrophobicContact CD2-CG2 3.69Å; L701-I745 HydrophobicContact CG-CG2 3.74Å; F726-I745 HydrophobicContact CD1-CD1 3.72Å; F726-I745 HydrophobicContact CE1-CD1 4.1Å; I745-I747 HydrophobicContact CD1-CD1 4.16Å; I745-I747 HydrophobicContact CD1-CG1 4.13Å; I745-I747 HydrophobicContact CG1-CG1 4.35Å |
| 746 | R | 94.3 | Very high | 90.5 | Very high | 42 Ų | 42 | 46.7 Ų | 46.7 | 16% | 0.158 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 136.5 | 167.9 | -72 | -176.6 | -65.5 | 166.3 | 0.8 | 109.9 | V687 L688 I689 Y727 R728 L729 | V687-R746 HydrophobicContact CG2-CG 4.37Å; L688-R746 CarbonylContact O-C 3.6Å; L688-R746 VanDerWaalsContact O-CA 3.3Å; L688-R746 WeakPolarHBondContact O-CA 3.46Å; I689-R746 HydrophobicContact CG1-CG 4.29Å; Y727-R746 PolarHBondContact N-O 3.32Å; Y727-R746 PolarHBondContact O-N 3.06Å; R728-R746 VanDerWaalsContact O-CZ 3.24Å; R728-R746 PolarHBondContact O-NE 3.42Å; R728-R746 PolarHBondContact O-NH2 3.01Å; L729-R746 HydrophobicContact CD2-CG 4.03Å |
| 747 | I | 96.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 119.7 | 173.5 | -57.9 | 177.5 | 0 | 0 | 0 | 108.8 | L688 V690 L725 F726 I745 V757 L761 | L688-I747 HydrophobicContact CB-CB 4.34Å; L688-I747 PolarHBondContact N-O 3.36Å; L688-I747 PolarHBondContact O-N 3.44Å; V690-I747 HydrophobicContact CG2-CD1 3.77Å; V690-I747 HydrophobicContact CG2-CG1 4.4Å; L725-I747 WeakPolarHBondContact O-CA 3.39Å; F726-I747 HydrophobicContact CD1-CD1 4.23Å; F726-I747 HydrophobicContact CD1-CG1 4.18Å; F726-I747 HydrophobicContact CD2-CG1 4.25Å; F726-I747 HydrophobicContact CD2-CG2 4.14Å; F726-I747 HydrophobicContact CE1-CD1 3.66Å; F726-I747 HydrophobicContact CE1-CG1 4.09Å; F726-I747 HydrophobicContact CE2-CD1 4.13Å; F726-I747 HydrophobicContact CE2-CG1 4.17Å; F726-I747 HydrophobicContact CE2-CG2 3.78Å; F726-I747 HydrophobicContact CG-CG1 4.26Å; F726-I747 HydrophobicContact CZ-CD1 3.61Å; F726-I747 HydrophobicContact CZ-CG1 4.09Å; F726-I747 HydrophobicContact CZ-CG2 4.29Å; I745-I747 HydrophobicContact CD1-CD1 4.16Å; I745-I747 HydrophobicContact CD1-CG1 4.13Å; I745-I747 HydrophobicContact CG1-CG1 4.35Å; I747-V757 HydrophobicContact CD1-CG1 4.3Å; I747-V757 HydrophobicContact CG2-CG1 3.78Å; I747-L761 HydrophobicContact CD1-CD1 3.66Å |
| 748 | N | 94.6 | Very high | 92.8 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.032 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 112 | 164.2 | -175.4 | -23.3 | 0 | 0 | 0 | 108.1 | Q656 V687 E717 P724 L725 N750 | Q656-N748 PolarHBondContact NE2-OD1 3.16Å; V687-N748 HydrophobicContact CG1-CB 3.88Å; E717-N748 PolarHBondContact OE1-ND2 3.44Å; P724-N748 CarbonylContact C-O 3.02Å; P724-N748 WeakPolarHBondContact CA-O 3.49Å; L725-N748 HydrophobicContact CB-CB 4.2Å; L725-N748 HydrophobicContact CD2-CB 4.47Å; L725-N748 PolarHBondContact N-O 3.5Å; L725-N748 PolarHBondContact O-N 3.02Å; N748-N750 PolarHBondContact O-N 2.94Å; N748-N750 VanDerWaalsContact O-N 3.12Å; N748-N750 PolarHBondContact OD1-N 2.89Å; N748-N750 PolarHBondContact OD1-OD1 3.05Å |
| 749 | P | 95.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -61.9 | -19.8 | -178.3 | -25.2 | 35.2 | 0 | 0 | 0 | 114.4 | V659 R751 S752 V757 | V659-P749 HydrophobicContact CG1-CB 3.75Å; V659-P749 HydrophobicContact CG1-CG 4.06Å; P749-R751 PolarHBondContact O-N 3.15Å; P749-S752 WeakPolarHBondContact O-CB 3.41Å; P749-S752 PolarHBondContact O-N 2.96Å; P749-S752 PolarHBondContact O-OG 2.82Å; P749-V757 HydrophobicContact CB-CG2 4.35Å | ||
| 750 | N | 94.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.011 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | -111.5 | -173.6 | -72.6 | -38.1 | 0 | 0 | 0 | 111.8 | Q656 E721 I722 P723 N748 | Q656-N750 WeakPolarHBondContact CG-O 3.4Å; E721-N750 VanDerWaalsContact O-CB 3.32Å; E721-N750 WeakPolarHBondContact O-CB 3.33Å; I722-N750 WeakPolarHBondContact O-CB 3.46Å; P723-N750 WeakPolarHBondContact O-CB 3.48Å; P723-N750 PolarHBondContact O-ND2 2.88Å; N748-N750 PolarHBondContact O-N 2.94Å; N748-N750 VanDerWaalsContact O-N 3.12Å; N748-N750 PolarHBondContact OD1-N 2.89Å; N748-N750 PolarHBondContact OD1-OD1 3.05Å |
| 751 | R | 95.1 | Very high | 95.3 | Very high | 60 Ų | 60 | 32.5 Ų | 32.5 | 23% | 0.226 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 5.6 | 179.8 | -52 | -58.9 | 92.3 | 70.4 | -2.9 | 113.2 | E721 I722 P749 | E721-R751 PolarHBondContact O-NH1 3.42Å; I722-R751 HydrophobicContact CB-CG 4.42Å; I722-R751 HydrophobicContact CG2-CB 3.87Å; I722-R751 HydrophobicContact CG2-CG 4.17Å; I722-R751 WeakPolarHBondContact O-CB 3.21Å; I722-R751 PolarHBondContact O-N 3.43Å; P749-R751 PolarHBondContact O-N 3.15Å |
| 752 | S | 96.4 | Very high | 95.9 | Very high | 17 Ų | 17 | 34.3 Ų | 34.3 | 12% | 0.119 | 16% | 0.164 | C | C | . | . | trans | -81.6 | 155.8 | 177.9 | 68.3 | 0 | 0 | 0 | 0 | 112.1 | P724 P749 V757 | P724-S752 WeakPolarHBondContact CB-OG 3.48Å; P749-S752 WeakPolarHBondContact O-CB 3.41Å; P749-S752 PolarHBondContact O-N 2.96Å; P749-S752 PolarHBondContact O-OG 2.82Å; S752-V757 WeakPolarHBondContact OG-CG2 3.28Å | ||
| 753 | G | 94.8 | Very high | 96.2 | Very high | 31 Ų | 31 | 33.7 Ų | 33.7 | 32% | 0.32 | 16% | 0.162 | S | C | . | . | trans | -86.1 | 160.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E755 T756 V757 | G753-E755 VanDerWaalsContact C-N 3.28Å; G753-E755 PolarHBondContact O-N 3Å; G753-T756 WeakPolarHBondContact O-CB 3.09Å; G753-T756 PolarHBondContact O-N 3.31Å; G753-T756 VanDerWaalsContact O-N 3.13Å; G753-V757 PolarHBondContact O-N 3.48Å | ||
| 754 | E | 94.6 | Very high | 96.3 | Very high | 34 Ų | 34 | 32.2 Ų | 32.2 | 16% | 0.159 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59 | -36 | -176.2 | 57.1 | -83.1 | -165.9 | 0 | 0 | 113.2 | V659 R662 L663 L666 T756 V757 L758 | V659-E754 HydrophobicContact CG1-CB 4.11Å; R662-E754 HydrophobicContact CB-CG 4.22Å; R662-E754 IonicContact CZ-OE1 2.81Å; R662-E754 IonicContact CZ-OE2 3.9Å; R662-E754 VanDerWaalsContact NE-CD 3.32Å; R662-E754 IonicContact NE-OE1 2.76Å; R662-E754 PolarHBondContact NE-OE1 3.34Å; R662-E754 IonicContact NE-OE2 3.64Å; R662-E754 IonicContact NH2-OE1 3.15Å; R662-E754 PolarHBondContact NH2-OE1 2.97Å; R662-E754 IonicContact NH2-OE2 2.78Å; R662-E754 PolarHBondContact NH2-OE2 2.86Å; L663-E754 HydrophobicContact CB-CB 3.95Å; L663-E754 HydrophobicContact CD1-CB 4.43Å; L666-E754 HydrophobicContact CD1-CG 4.17Å; E754-T756 PolarHBondContact O-N 2.83Å; E754-V757 PolarHBondContact O-N 2.68Å; E754-L758 WeakPolarHBondContact O-CB 3.48Å; E754-L758 PolarHBondContact O-N 3.43Å |
| 755 | E | 95.6 | Very high | 96.5 | Very high | 118 Ų | 118 | 32.7 Ų | 32.7 | 55% | 0.551 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -63.1 | -39.5 | 177.5 | -67.4 | -59.5 | 153.2 | 0 | 0 | 112.4 | G753 L758 R759 | G753-E755 VanDerWaalsContact C-N 3.28Å; G753-E755 PolarHBondContact O-N 3Å; E755-L758 PolarHBondContact O-N 3.3Å; E755-R759 VanDerWaalsContact O-CB 3.26Å; E755-R759 WeakPolarHBondContact O-CB 3.22Å; E755-R759 PolarHBondContact O-N 3.37Å |
| 756 | T | 98.2 | Very high | 96.6 | Very high | 56 Ų | 56 | 36.8 Ų | 36.8 | 34% | 0.344 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.4 | -43.3 | 175.9 | -66.7 | 0 | 0 | 0 | 0 | 110.7 | G753 E754 R759 I760 | G753-T756 WeakPolarHBondContact O-CB 3.09Å; G753-T756 PolarHBondContact O-N 3.31Å; G753-T756 VanDerWaalsContact O-N 3.13Å; E754-T756 PolarHBondContact O-N 2.83Å; T756-R759 PolarHBondContact O-N 3.46Å; T756-I760 HydrophobicContact CG2-CD1 4.01Å; T756-I760 WeakPolarHBondContact O-CG1 3.37Å; T756-I760 PolarHBondContact O-N 3.42Å |
| 757 | V | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -46.8 | 177.7 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | L663 P724 F726 I747 P749 S752 G753 E754 R759 I760 L761 | L663-V757 HydrophobicContact CD1-CB 4.36Å; L663-V757 HydrophobicContact CD1-CG1 4.2Å; L663-V757 HydrophobicContact CD2-CB 3.97Å; L663-V757 HydrophobicContact CD2-CG1 3.44Å; L663-V757 VanDerWaalsContact CD2-CG1 3.44Å; L663-V757 HydrophobicContact CD2-CG2 4.44Å; L663-V757 HydrophobicContact CG-CG1 4.48Å; P724-V757 HydrophobicContact CB-CG2 4.02Å; P724-V757 HydrophobicContact CG-CG2 4.34Å; F726-V757 HydrophobicContact CE2-CG1 3.94Å; F726-V757 HydrophobicContact CZ-CG1 3.83Å; I747-V757 HydrophobicContact CD1-CG1 4.3Å; I747-V757 HydrophobicContact CG2-CG1 3.78Å; P749-V757 HydrophobicContact CB-CG2 4.35Å; S752-V757 WeakPolarHBondContact OG-CG2 3.28Å; G753-V757 PolarHBondContact O-N 3.48Å; E754-V757 PolarHBondContact O-N 2.68Å; V757-R759 PolarHBondContact O-N 3.26Å; V757-I760 PolarHBondContact O-N 2.86Å; V757-L761 WeakPolarHBondContact O-CB 3.42Å; V757-L761 PolarHBondContact O-N 3.33Å |
| 758 | L | 97.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.5 | -41.8 | -179.9 | -166.4 | 70.3 | 0 | 0 | 0 | 112 | L663 L667 A671 V672 E754 E755 L761 R762 | L663-L758 HydrophobicContact CD1-CB 4.48Å; L663-L758 HydrophobicContact CD1-CD1 4.41Å; L667-L758 HydrophobicContact CD2-CD1 3.98Å; A671-L758 HydrophobicContact CB-CD1 4.09Å; A671-L758 HydrophobicContact CB-CD2 4.2Å; V672-L758 HydrophobicContact CG2-CD1 3.57Å; E754-L758 WeakPolarHBondContact O-CB 3.48Å; E754-L758 PolarHBondContact O-N 3.43Å; E755-L758 PolarHBondContact O-N 3.3Å; L758-L761 PolarHBondContact O-N 3.36Å; L758-R762 WeakPolarHBondContact O-CG 3.27Å; L758-R762 PolarHBondContact O-N 3.04Å |
| 759 | R | 98.5 | Very high | 96.6 | Very high | 108 Ų | 108 | 43.4 Ų | 43.4 | 41% | 0.408 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.6 | -50.9 | 175.3 | -177.7 | -174 | 61.6 | 70.4 | 4.8 | 111.6 | E755 T756 V757 L761 R762 E763 | E755-R759 VanDerWaalsContact O-CB 3.26Å; E755-R759 WeakPolarHBondContact O-CB 3.22Å; E755-R759 PolarHBondContact O-N 3.37Å; T756-R759 PolarHBondContact O-N 3.46Å; V757-R759 PolarHBondContact O-N 3.26Å; R759-L761 PolarHBondContact O-N 3.19Å; R759-R762 PolarHBondContact O-N 2.87Å; R759-E763 VanDerWaalsContact CD-OE1 3.3Å; R759-E763 WeakPolarHBondContact CD-OE1 3.21Å; R759-E763 HydrophobicContact CG-CG 4.28Å; R759-E763 WeakPolarHBondContact CG-OE1 3.47Å; R759-E763 IonicContact CZ-OE1 2.82Å; R759-E763 VanDerWaalsContact NH1-CD 3.28Å; R759-E763 IonicContact NH1-OE1 2.7Å; R759-E763 PolarHBondContact NH1-OE1 3.2Å; R759-E763 IonicContact NH1-OE2 3.45Å; R759-E763 PolarHBondContact NH1-OE2 2.94Å; R759-E763 WeakPolarHBondContact O-CB 3.26Å; R759-E763 WeakPolarHBondContact O-CG 3.34Å; R759-E763 PolarHBondContact O-N 3.32Å |
| 760 | I | 98.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.2 | -43.7 | 177.8 | -70 | 170.1 | 0 | 0 | 0 | 110.1 | A704 R707 A709 P724 F726 T756 V757 S764 | A704-I760 HydrophobicContact CB-CG2 3.81Å; R707-I760 HydrophobicContact CB-CG1 4.34Å; R707-I760 HydrophobicContact CB-CG2 4.22Å; A709-I760 HydrophobicContact CB-CG2 4.37Å; P724-I760 HydrophobicContact CG-CD1 3.94Å; F726-I760 HydrophobicContact CE1-CG2 4.39Å; F726-I760 HydrophobicContact CE2-CG2 4.46Å; F726-I760 HydrophobicContact CZ-CG2 4.14Å; T756-I760 HydrophobicContact CG2-CD1 4.01Å; T756-I760 WeakPolarHBondContact O-CG1 3.37Å; T756-I760 PolarHBondContact O-N 3.42Å; V757-I760 PolarHBondContact O-N 2.86Å; I760-S764 VanDerWaalsContact O-CB 3.26Å; I760-S764 WeakPolarHBondContact O-CB 3.44Å; I760-S764 PolarHBondContact O-N 3.48Å; I760-S764 PolarHBondContact O-OG 3.32Å |
| 761 | L | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.7 | -48.4 | -178.4 | -151.8 | 161.9 | 0 | 0 | 0 | 111.2 | L667 V672 V675 F692 F726 I747 V757 L758 R759 S764 I765 | L667-L761 HydrophobicContact CD2-CD1 4.46Å; V672-L761 HydrophobicContact CG1-CD2 3.95Å; V672-L761 HydrophobicContact CG2-CD2 4.27Å; V675-L761 HydrophobicContact CG2-CD2 4.31Å; F692-L761 HydrophobicContact CE1-CD2 4.07Å; F726-L761 HydrophobicContact CE1-CB 4.28Å; F726-L761 HydrophobicContact CE1-CD1 4.31Å; F726-L761 HydrophobicContact CE1-CG 4.12Å; F726-L761 HydrophobicContact CZ-CB 4.36Å; F726-L761 HydrophobicContact CZ-CD1 4.48Å; I747-L761 HydrophobicContact CD1-CD1 3.66Å; V757-L761 WeakPolarHBondContact O-CB 3.42Å; V757-L761 PolarHBondContact O-N 3.33Å; L758-L761 PolarHBondContact O-N 3.36Å; R759-L761 PolarHBondContact O-N 3.19Å; L761-S764 PolarHBondContact O-N 3.33Å; L761-I765 HydrophobicContact CD2-CD1 3.41Å; L761-I765 VanDerWaalsContact CD2-CD1 3.41Å; L761-I765 HydrophobicContact CD2-CG1 4.3Å; L761-I765 WeakPolarHBondContact O-CG1 3.26Å; L761-I765 PolarHBondContact O-N 3.4Å |
| 762 | R | 97.8 | Very high | 96.9 | Very high | 116 Ų | 116 | 47.4 Ų | 47.4 | 44% | 0.438 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.1 | -48.9 | 176.4 | -73.7 | 173.7 | 174.1 | 159.4 | -4.5 | 112.9 | A671 V672 L758 R759 S764 I765 A766 | A671-R762 PolarHBondContact O-NE 3.27Å; A671-R762 VanDerWaalsContact O-NE 3.11Å; A671-R762 PolarHBondContact O-NH2 3.33Å; V672-R762 HydrophobicContact CG2-CG 4.04Å; L758-R762 WeakPolarHBondContact O-CG 3.27Å; L758-R762 PolarHBondContact O-N 3.04Å; R759-R762 PolarHBondContact O-N 2.87Å; R762-S764 PolarHBondContact O-N 3.33Å; R762-I765 PolarHBondContact O-N 2.53Å; R762-A766 WeakPolarHBondContact O-CB 3.44Å; R762-A766 PolarHBondContact O-N 2.83Å |
| 763 | E | 98.5 | Very high | 97 | Very high | 75 Ų | 75 | 49.3 Ų | 49.3 | 35% | 0.35 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.4 | -29.4 | -179.4 | -71.3 | 174.2 | -168.1 | 0 | 0 | 112.4 | R707 R759 S767 | R707-E763 VanDerWaalsContact NE-C 3.34Å; R707-E763 PolarHBondContact NE-O 3.35Å; R707-E763 IonicContact NE-OE2 2.71Å; R707-E763 PolarHBondContact NH2-O 3.24Å; R759-E763 VanDerWaalsContact CD-OE1 3.3Å; R759-E763 WeakPolarHBondContact CD-OE1 3.21Å; R759-E763 HydrophobicContact CG-CG 4.28Å; R759-E763 WeakPolarHBondContact CG-OE1 3.47Å; R759-E763 IonicContact CZ-OE1 2.82Å; R759-E763 VanDerWaalsContact NH1-CD 3.28Å; R759-E763 IonicContact NH1-OE1 2.7Å; R759-E763 PolarHBondContact NH1-OE1 3.2Å; R759-E763 IonicContact NH1-OE2 3.45Å; R759-E763 PolarHBondContact NH1-OE2 2.94Å; R759-E763 WeakPolarHBondContact O-CB 3.26Å; R759-E763 WeakPolarHBondContact O-CG 3.34Å; R759-E763 PolarHBondContact O-N 3.32Å; E763-S767 WeakPolarHBondContact O-CB 3.29Å |
| 764 | S | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.3 | -42.7 | 175.8 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | A704 I760 L761 R762 S767 | A704-S764 WeakPolarHBondContact CA-OG 3.31Å; A704-S764 PolarHBondContact N-OG 3.32Å; I760-S764 VanDerWaalsContact O-CB 3.26Å; I760-S764 WeakPolarHBondContact O-CB 3.44Å; I760-S764 PolarHBondContact O-N 3.48Å; I760-S764 PolarHBondContact O-OG 3.32Å; L761-S764 PolarHBondContact O-N 3.33Å; R762-S764 PolarHBondContact O-N 3.33Å; S764-S767 PolarHBondContact O-N 3.24Å |
| 765 | I | 97.6 | Very high | 97.3 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.3 | -36.4 | 176.5 | -68.3 | 173.1 | 0 | 0 | 0 | 111.6 | V672 E674 F692 I696 V700 L761 R762 S767 I768 | V672-I765 HydrophobicContact CG1-CD1 3.69Å; E674-I765 HydrophobicContact CB-CD1 4.16Å; E674-I765 HydrophobicContact CB-CG2 4.16Å; E674-I765 HydrophobicContact CG-CG2 3.71Å; F692-I765 HydrophobicContact CD1-CD1 4.27Å; F692-I765 HydrophobicContact CE1-CD1 3.85Å; I696-I765 HydrophobicContact CD1-CG1 4.29Å; V700-I765 HydrophobicContact CG2-CG1 3.9Å; L761-I765 HydrophobicContact CD2-CD1 3.41Å; L761-I765 VanDerWaalsContact CD2-CD1 3.41Å; L761-I765 HydrophobicContact CD2-CG1 4.3Å; L761-I765 WeakPolarHBondContact O-CG1 3.26Å; L761-I765 PolarHBondContact O-N 3.4Å; R762-I765 PolarHBondContact O-N 2.53Å; I765-S767 PolarHBondContact O-N 2.63Å; I765-S767 VanDerWaalsContact O-N 3.14Å; I765-I768 WeakPolarHBondContact O-CG1 3.14Å; I765-I768 PolarHBondContact O-N 3.42Å |
| 766 | A | 97 | Very high | 97.4 | Very high | 87 Ų | 87 | 46.5 Ų | 46.5 | 72% | 0.719 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -8.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R762 | R762-A766 WeakPolarHBondContact O-CB 3.44Å; R762-A766 PolarHBondContact O-N 2.83Å |
| 767 | S | 96.6 | Very high | 97.3 | Very high | 59 Ų | 59 | 45.8 Ų | 45.8 | 41% | 0.413 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 8.6 | -174.5 | -165.7 | 0 | 0 | 0 | 0 | 113.7 | E703 R707 E763 S764 I765 | E703-S767 PolarHBondContact OE2-OG 3.33Å; R707-S767 PolarHBondContact NH2-OG 3.32Å; R707-S767 VanDerWaalsContact NH2-OG 3.13Å; E763-S767 WeakPolarHBondContact O-CB 3.29Å; S764-S767 PolarHBondContact O-N 3.24Å; I765-S767 PolarHBondContact O-N 2.63Å; I765-S767 VanDerWaalsContact O-N 3.14Å |
| 768 | I | 93 | Very high | 97.3 | Very high | 83 Ų | 83 | 49.9 Ų | 49.9 | 43% | 0.426 | 26% | 0.26 | S | S | . | . | trans | -126 | 0 | -177.3 | 56.6 | 161.5 | 0 | 0 | 0 | 111.2 | I696 R699 V700 E703 I765 | I696-I768 HydrophobicContact CB-CD1 3.6Å; I696-I768 HydrophobicContact CD1-CD1 3.64Å; I696-I768 HydrophobicContact CG1-CD1 4.18Å; I696-I768 HydrophobicContact CG2-CD1 3.76Å; R699-I768 HydrophobicContact CB-CB 4.38Å; R699-I768 HydrophobicContact CB-CG2 3.65Å; R699-I768 PolarHBondContact NH1-O 3.4Å; V700-I768 HydrophobicContact CG2-CD1 3.85Å; E703-I768 HydrophobicContact CG-CG2 3.88Å; I765-I768 WeakPolarHBondContact O-CG1 3.14Å; I765-I768 PolarHBondContact O-N 3.42Å |
Retrieved 768 of 768 residues in 685.3 ms
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