| 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 | 49.4 | Very low | 82.3 | Confident | 188 Ų | 188 | 47.5 Ų | 47.5 | 93% | 0.926 | 25% | 0.247 | S | C | * | . | 0 | 91.8 | 0 | -86 | 169.2 | -179.7 | 0 | 0 | 111.8 | E21 | M1-E21 WeakPolarHBondContact CA-OE1 3.5Å; M1-E21 VanDerWaalsContact CE-OE2 3.23Å; M1-E21 WeakPolarHBondContact CE-OE2 3.41Å; M1-E21 WeakPolarHBondContact CG-OE1 3.36Å | |||
| 2 | V | 58.7 | Low | 83.1 | Confident | 74 Ų | 74 | 46.5 Ų | 46.5 | 45% | 0.448 | 25% | 0.245 | S | C | . | . | trans | -83.3 | 120.4 | 157.1 | 170.9 | 0 | 0 | 0 | 0 | 105.4 | L4 L92 | V2-L4 PolarHBondContact O-N 3.07Å; V2-L92 HydrophobicContact CG1-CB 3.94Å | ||
| 3 | L | 71.3 | Confident | 83.8 | Confident | 82 Ų | 82 | 42.9 Ų | 42.9 | 43% | 0.429 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 97 | 179.1 | -70.9 | 170.1 | 0 | 0 | 0 | 109 | H5 L92 | L3-H5 PolarHBondContact O-N 3.29Å; L3-H5 PolarHBondContact O-ND1 3.19Å; L3-L92 PolarHBondContact O-N 3.36Å |
| 4 | L | 84 | Confident | 84.5 | Confident | 32 Ų | 32 | 40.1 Ų | 40.1 | 17% | 0.168 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 114.9 | 173.2 | -177.9 | 59.4 | 0 | 0 | 0 | 109.5 | V2 L19 L92 I118 | V2-L4 PolarHBondContact O-N 3.07Å; L4-L19 HydrophobicContact CB-CD1 4.49Å; L4-L19 HydrophobicContact CD2-CD1 3.57Å; L4-L19 HydrophobicContact CG-CD1 3.83Å; L4-L19 PolarHBondContact O-N 3.43Å; L4-L92 WeakPolarHBondContact CA-O 3.37Å; L4-L92 HydrophobicContact CD1-CB 3.85Å; L4-L92 HydrophobicContact CD1-CD2 4.09Å; L4-L92 HydrophobicContact CD1-CG 3.98Å; L4-I118 HydrophobicContact CD1-CD1 4.41Å |
| 5 | H | 88.4 | Confident | 85.1 | Confident | 14 Ų | 14 | 37.4 Ų | 37.4 | 7% | 0.065 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 151.2 | 169.5 | -66.2 | 71.6 | 0 | 0 | 0 | 108.8 | L3 L16 L17 L84 L92 L93 G94 | L3-H5 PolarHBondContact O-N 3.29Å; L3-H5 PolarHBondContact O-ND1 3.19Å; H5-L16 HydrophobicContact CB-CD1 4.08Å; H5-L17 CarbonylContact C-O 3.44Å; H5-L17 VanDerWaalsContact CA-O 3.24Å; H5-L17 WeakPolarHBondContact CA-O 3.15Å; H5-L84 HydrophobicContact CB-CD2 3.99Å; H5-L92 PolarHBondContact N-O 3.31Å; H5-L93 HydrophobicContact CB-CD1 4.07Å; H5-L93 CarbonylContact O-C 3.53Å; H5-L93 WeakPolarHBondContact O-CA 3.34Å; H5-G94 PolarHBondContact O-N 2.91Å |
| 6 | V | 90.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 127 | 176.6 | 177.1 | 0 | 0 | 0 | 0 | 108.5 | L17 L19 G94 I121 L122 | V6-L17 PolarHBondContact N-O 3Å; V6-L17 PolarHBondContact O-N 3.24Å; V6-L19 HydrophobicContact CG2-CD1 3.64Å; V6-L19 HydrophobicContact CG2-CG 4.06Å; V6-G94 WeakPolarHBondContact CA-O 3.35Å; V6-I121 HydrophobicContact CG2-CG2 4.25Å; V6-L122 HydrophobicContact CG1-CD2 3.39Å; V6-L122 HydrophobicContact CG1-CG 3.82Å |
| 7 | L | 93 | Very high | 85.8 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 122.1 | 172 | 176.7 | 66.9 | 0 | 0 | 0 | 109.1 | L76 L79 L93 G94 I104 L122 | L7-L76 HydrophobicContact CD1-CD1 3.73Å; L7-L76 HydrophobicContact CD2-CD1 3.73Å; L7-L76 HydrophobicContact CD2-CD2 4.3Å; L7-L76 HydrophobicContact CG-CD1 4.37Å; L7-L79 HydrophobicContact CD1-CD2 4.07Å; L7-L93 HydrophobicContact CB-CD1 4.31Å; L7-G94 PolarHBondContact N-O 3.47Å; L7-I104 HydrophobicContact CD2-CD1 3.99Å; L7-L122 WeakPolarHBondContact O-CD2 3.3Å |
| 8 | F | 93.1 | Very high | 86 | Confident | 10 Ų | 10 | 32.3 Ų | 32.3 | 4% | 0.044 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 116.7 | 173.3 | -176.7 | -99.9 | 0 | 0 | 0 | 110.3 | H10 A15 L17 L122 V125 R126 F129 | F8-H10 HydrophobicContact CD1-CB 4.24Å; F8-H10 HydrophobicContact CE1-CB 3.87Å; F8-A15 HydrophobicContact CB-CB 4.41Å; F8-A15 PolarHBondContact N-O 3.34Å; F8-A15 PolarHBondContact O-N 3.15Å; F8-L17 HydrophobicContact CB-CD1 3.8Å; F8-L122 HydrophobicContact CB-CD2 4.27Å; F8-L122 HydrophobicContact CD2-CD2 3.83Å; F8-V125 HydrophobicContact CB-CG1 3.94Å; F8-V125 HydrophobicContact CD1-CG1 3.8Å; F8-V125 HydrophobicContact CD2-CB 4.17Å; F8-V125 HydrophobicContact CD2-CG1 3.65Å; F8-V125 HydrophobicContact CE1-CG1 4.18Å; F8-V125 HydrophobicContact CE2-CB 4.46Å; F8-V125 HydrophobicContact CE2-CG1 4.06Å; F8-V125 HydrophobicContact CG-CB 4.47Å; F8-V125 HydrophobicContact CG-CG1 3.51Å; F8-V125 HydrophobicContact CZ-CG1 4.3Å; F8-R126 HydrophobicContact CE2-CB 3.93Å; F8-R126 HydrophobicContact CZ-CB 4.04Å; F8-R126 HydrophobicContact CZ-CG 4.31Å; F8-F129 AromaticContact CD1-CD2 3.53Å; F8-F129 HydrophobicContact CD1-CD2 3.53Å; F8-F129 AromaticContact CD1-CE2 3.44Å; F8-F129 HydrophobicContact CD1-CE2 3.44Å; F8-F129 VanDerWaalsContact CD1-CE2 3.44Å; F8-F129 HydrophobicContact CD1-CG 4.3Å; F8-F129 HydrophobicContact CD1-CZ 4.15Å; F8-F129 HydrophobicContact CE1-CB 4.27Å; F8-F129 HydrophobicContact CE1-CD1 4.19Å; F8-F129 AromaticContact CE1-CD2 3.35Å; F8-F129 HydrophobicContact CE1-CD2 3.35Å; F8-F129 HydrophobicContact CE1-CE1 4.43Å; F8-F129 AromaticContact CE1-CE2 3.64Å; F8-F129 HydrophobicContact CE1-CE2 3.64Å; F8-F129 AromaticContact CE1-CG 3.66Å; F8-F129 HydrophobicContact CE1-CG 3.66Å; F8-F129 HydrophobicContact CE1-CZ 4.17Å; F8-F129 HydrophobicContact CZ-CD2 4.36Å; F8-F129 HydrophobicContact CZ-CG 4.47Å |
| 9 | E | 92 | Very high | 85.9 | Confident | 76 Ų | 76 | 31.6 Ų | 31.6 | 36% | 0.355 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 131.1 | 173.5 | 62.6 | -160.2 | -162 | 0 | 0 | 110.9 | Y14 V67 | E9-Y14 HydrophobicContact CB-CD1 3.93Å; E9-Y14 HydrophobicContact CB-CE1 3.97Å; E9-V67 WeakPolarHBondContact OE2-CG1 3.23Å |
| 10 | H | 92 | Very high | 85.6 | Confident | 23 Ų | 23 | 35.9 Ų | 35.9 | 11% | 0.106 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 158.2 | 177.6 | -169.2 | -104.3 | 0 | 0 | 0 | 110.9 | F8 V12 G13 F54 F129 Q145 | F8-H10 HydrophobicContact CD1-CB 4.24Å; F8-H10 HydrophobicContact CE1-CB 3.87Å; H10-V12 PolarHBondContact ND1-N 2.91Å; H10-V12 PolarHBondContact O-N 3.19Å; H10-G13 WeakPolarHBondContact CB-O 3.42Å; H10-G13 PolarHBondContact N-O 2.85Å; H10-G13 PolarHBondContact O-N 3.34Å; H10-G13 VanDerWaalsContact O-O 3.06Å; H10-F54 WeakPolarHBondContact O-CE2 3.37Å; H10-F129 HydrophobicContact CB-CD1 4.35Å; H10-F129 HydrophobicContact CB-CE1 3.68Å; H10-F129 HydrophobicContact CB-CZ 3.81Å; H10-F129 AromaticContact CD2-CD1 3.79Å; H10-F129 AromaticContact CD2-CE1 3.92Å; H10-F129 AromaticContact CE1-CE1 3.96Å; H10-F129 AromaticContact CG-CD1 3.72Å; H10-F129 AromaticContact CG-CE1 3.34Å; H10-F129 AromaticContact ND1-CD1 3.86Å; H10-F129 AromaticContact ND1-CE1 3.38Å; H10-F129 WeakPolarHBondContact ND1-CE1 3.49Å; H10-Q145 PolarHBondContact NE2-NE2 3.45Å |
| 11 | A | 92.3 | Very high | 84.6 | Confident | 19 Ų | 19 | 40.4 Ų | 40.4 | 16% | 0.157 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -12.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q145 L148 | A11-Q145 HydrophobicContact CB-CB 4.29Å; A11-Q145 HydrophobicContact CB-CG 3.73Å; A11-L148 HydrophobicContact CB-CB 4.29Å; A11-L148 HydrophobicContact CB-CD2 3.67Å |
| 12 | V | 92.2 | Very high | 85.2 | Confident | 36 Ų | 36 | 33.9 Ų | 33.9 | 22% | 0.218 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -21.3 | 178 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | H10 F51 P53 F54 L136 A144 | H10-V12 PolarHBondContact ND1-N 2.91Å; H10-V12 PolarHBondContact O-N 3.19Å; V12-F51 HydrophobicContact CB-CZ 4.28Å; V12-F51 HydrophobicContact CG1-CZ 3.89Å; V12-P53 CarbonylContact O-C 3.53Å; V12-P53 VanDerWaalsContact O-CA 3.3Å; V12-P53 WeakPolarHBondContact O-CA 3.47Å; V12-F54 PolarHBondContact O-N 3.16Å; V12-L136 HydrophobicContact CG2-CD1 4.15Å; V12-A144 HydrophobicContact CG2-CB 3.62Å |
| 13 | G | 92.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.8 | -178.9 | -172 | 0 | 0 | 0 | 0 | 0 | 113.2 | H10 C52 | H10-G13 WeakPolarHBondContact CB-O 3.42Å; H10-G13 PolarHBondContact N-O 2.85Å; H10-G13 PolarHBondContact O-N 3.34Å; H10-G13 VanDerWaalsContact O-O 3.06Å; G13-C52 CarbonylContact C-O 3.54Å; G13-C52 WeakPolarHBondContact CA-O 3.44Å |
| 14 | Y | 93.7 | Very high | 85.2 | Confident | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 136.4 | 175 | -59.7 | -67.6 | 0 | 0 | 0 | 111.3 | E9 F51 C52 F54 N63 V67 D75 L76 | E9-Y14 HydrophobicContact CB-CD1 3.93Å; E9-Y14 HydrophobicContact CB-CE1 3.97Å; Y14-F51 WeakPolarHBondContact O-CA 3.25Å; Y14-F51 WeakPolarHBondContact O-CD2 3.26Å; Y14-C52 PolarHBondContact N-O 3.26Å; Y14-C52 PolarHBondContact O-N 3.43Å; Y14-F54 AromaticContact CD2-CE1 3.88Å; Y14-F54 HydrophobicContact CD2-CE1 3.88Å; Y14-F54 HydrophobicContact CD2-CZ 4.18Å; Y14-F54 HydrophobicContact CE1-CZ 4.39Å; Y14-F54 AromaticContact CE2-CE1 3.56Å; Y14-F54 HydrophobicContact CE2-CE1 3.56Å; Y14-F54 AromaticContact CE2-CZ 3.86Å; Y14-F54 HydrophobicContact CE2-CZ 3.86Å; Y14-F54 AromaticContact CZ-CZ 3.95Å; Y14-N63 WeakPolarHBondContact CE2-OD1 3.26Å; Y14-N63 WeakPolarHBondContact OH-CB 3.4Å; Y14-N63 PolarHBondContact OH-OD1 3.49Å; Y14-V67 HydrophobicContact CE1-CG2 4.1Å; Y14-V67 WeakPolarHBondContact OH-CG2 3.44Å; Y14-D75 HydrophobicContact CE2-CB 4.46Å; Y14-L76 HydrophobicContact CD1-CD1 4.16Å; Y14-L76 HydrophobicContact CD2-CB 4.29Å; Y14-L76 HydrophobicContact CD2-CD1 4.2Å; Y14-L76 HydrophobicContact CE1-CD1 4.33Å; Y14-L76 HydrophobicContact CE1-CD2 4.5Å; Y14-L76 HydrophobicContact CE2-CB 3.78Å; Y14-L76 HydrophobicContact CE2-CD1 4.34Å; Y14-L76 HydrophobicContact CG-CD1 4.11Å |
| 15 | A | 92.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 132.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110.2 | F8 L17 L48 A50 F51 F129 | F8-A15 HydrophobicContact CB-CB 4.41Å; F8-A15 PolarHBondContact N-O 3.34Å; F8-A15 PolarHBondContact O-N 3.15Å; A15-L17 HydrophobicContact CB-CD1 4.1Å; A15-L48 HydrophobicContact CB-CD1 3.93Å; A15-A50 WeakPolarHBondContact CA-O 3.41Å; A15-F51 HydrophobicContact CB-CD2 4.06Å; A15-F129 HydrophobicContact CB-CE2 3.83Å; A15-F129 HydrophobicContact CB-CZ 4.33Å |
| 16 | L | 92.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 121.3 | 169.5 | -171.6 | 70.6 | 0 | 0 | 0 | 108.5 | H5 V49 A50 L80 H83 L84 L93 | H5-L16 HydrophobicContact CB-CD1 4.08Å; L16-V49 WeakPolarHBondContact O-CB 3.29Å; L16-V49 PolarHBondContact O-N 3.42Å; L16-A50 HydrophobicContact CB-CB 4.37Å; L16-A50 PolarHBondContact N-O 3.07Å; L16-A50 PolarHBondContact O-N 3.28Å; L16-A50 VanDerWaalsContact O-N 3.14Å; L16-L80 HydrophobicContact CD1-CD2 4.48Å; L16-H83 HydrophobicContact CD2-CB 3.64Å; L16-L84 HydrophobicContact CD1-CD2 4.3Å; L16-L84 HydrophobicContact CD2-CD2 3.88Å; L16-L84 HydrophobicContact CD2-CG 4.25Å; L16-L93 HydrophobicContact CD1-CD1 3.96Å |
| 17 | L | 90.9 | Very high | 81.9 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 140 | -178.5 | -52.2 | 104.4 | 0 | 0 | 0 | 109.7 | H5 V6 F8 A15 V46 R47 L48 V125 L132 | H5-L17 CarbonylContact C-O 3.44Å; H5-L17 VanDerWaalsContact CA-O 3.24Å; H5-L17 WeakPolarHBondContact CA-O 3.15Å; V6-L17 PolarHBondContact N-O 3Å; V6-L17 PolarHBondContact O-N 3.24Å; F8-L17 HydrophobicContact CB-CD1 3.8Å; A15-L17 HydrophobicContact CB-CD1 4.1Å; L17-V46 HydrophobicContact CB-CG1 3.63Å; L17-V46 HydrophobicContact CD2-CG1 3.54Å; L17-V46 HydrophobicContact CG-CG1 4.18Å; L17-R47 CarbonylContact C-O 3.54Å; L17-R47 WeakPolarHBondContact CA-O 3.37Å; L17-L48 HydrophobicContact CD2-CB 4.47Å; L17-L48 HydrophobicContact CD2-CD1 4.12Å; L17-L48 HydrophobicContact CG-CD1 4.04Å; L17-V125 HydrophobicContact CD1-CG1 4.09Å; L17-V125 HydrophobicContact CD1-CG2 4.3Å; L17-V125 HydrophobicContact CD2-CG1 4.37Å; L17-V125 HydrophobicContact CD2-CG2 4.22Å; L17-L132 HydrophobicContact CD2-CD1 4.04Å |
| 18 | A | 88.3 | Confident | 80.7 | Confident | 20 Ų | 20 | 52.2 Ų | 52.2 | 17% | 0.165 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 137.9 | 171 | 0 | 0 | 0 | 0 | 0 | 109.4 | R47 V49 | A18-R47 PolarHBondContact N-O 2.98Å; A18-R47 PolarHBondContact O-N 3.42Å; A18-V49 HydrophobicContact CB-CG2 3.46Å; A18-V49 VanDerWaalsContact CB-CG2 3.46Å |
| 19 | L | 85 | Confident | 79.9 | Confident | 19 Ų | 19 | 56 Ų | 56 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 137.7 | 172.9 | -63 | 175.1 | 0 | 0 | 0 | 110.1 | L4 V6 I45 V46 I121 | L4-L19 HydrophobicContact CB-CD1 4.49Å; L4-L19 HydrophobicContact CD2-CD1 3.57Å; L4-L19 HydrophobicContact CG-CD1 3.83Å; L4-L19 PolarHBondContact O-N 3.43Å; V6-L19 HydrophobicContact CG2-CD1 3.64Å; V6-L19 HydrophobicContact CG2-CG 4.06Å; L19-I45 HydrophobicContact CD2-CG2 4.28Å; L19-V46 HydrophobicContact CD2-CB 4.23Å; L19-V46 HydrophobicContact CD2-CG1 4.13Å; L19-V46 HydrophobicContact CD2-CG2 3.66Å; L19-I121 HydrophobicContact CD1-CD1 3.39Å; L19-I121 HydrophobicContact CD1-CG2 4.21Å; L19-I121 HydrophobicContact CD2-CD1 3.99Å; L19-I121 HydrophobicContact CD2-CG2 3.77Å; L19-I121 HydrophobicContact CG-CD1 4.33Å |
| 20 | K | 78.3 | Confident | 79.2 | Confident | 117 Ų | 117 | 56.6 Ų | 56.6 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 147.9 | 158.1 | -59.5 | -171.4 | -161.2 | 144.2 | 0 | 107.7 | V22 N44 I45 | K20-V22 WeakPolarHBondContact O-CG2 3.45Å; K20-V22 PolarHBondContact O-N 3.4Å; K20-N44 VanDerWaalsContact CD-O 3.29Å; K20-N44 WeakPolarHBondContact CD-O 3.49Å; K20-N44 WeakPolarHBondContact CE-O 3.41Å; K20-N44 PolarHBondContact NZ-O 3.4Å; K20-I45 PolarHBondContact N-O 2.91Å |
| 21 | E | 65.8 | Low | 78.4 | Confident | 130 Ų | 130 | 62.1 Ų | 62.1 | 61% | 0.607 | 32% | 0.319 | S | S | * | . | trans | -55.2 | 115.3 | -174.7 | -67.1 | 179.7 | 142.6 | 0 | 0 | 110.4 | M1 | M1-E21 WeakPolarHBondContact CA-OE1 3.5Å; M1-E21 VanDerWaalsContact CE-OE2 3.23Å; M1-E21 WeakPolarHBondContact CE-OE2 3.41Å; M1-E21 WeakPolarHBondContact CG-OE1 3.36Å | ||
| 22 | V | 61.4 | Low | 77.4 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 32% | 0.315 | 32% | 0.32 | S | S | . | . | trans | -112.4 | 131.7 | 171.8 | -166.7 | 0 | 0 | 0 | 0 | 107.3 | K20 E24 L27 I45 | K20-V22 WeakPolarHBondContact O-CG2 3.45Å; K20-V22 PolarHBondContact O-N 3.4Å; V22-E24 PolarHBondContact O-N 3.07Å; V22-L27 HydrophobicContact CB-CD1 3.93Å; V22-L27 HydrophobicContact CG1-CD1 3.45Å; V22-L27 VanDerWaalsContact CG1-CD1 3.45Å; V22-L27 HydrophobicContact CG1-CD2 4.3Å; V22-L27 HydrophobicContact CG1-CG 3.73Å; V22-I45 HydrophobicContact CG2-CG2 3.73Å | ||
| 23 | E | 65.8 | Low | 76.6 | Confident | 142 Ų | 142 | 65.5 Ų | 65.5 | 66% | 0.664 | 33% | 0.331 | S | S | * | . | trans | -66.7 | 123.1 | 174 | -63.9 | 175.7 | 155.7 | 0 | 0 | 110 | I25 S26 | E23-I25 PolarHBondContact O-N 2.62Å; E23-I25 VanDerWaalsContact O-N 3.15Å; E23-S26 PolarHBondContact O-N 3.14Å; E23-S26 PolarHBondContact OE2-OG 3.02Å | ||
| 24 | E | 64.7 | Low | 75.9 | Confident | 121 Ų | 121 | 71.5 Ų | 71.5 | 57% | 0.565 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -33.2 | -175.3 | -58.7 | -173.1 | 145.1 | 0 | 0 | 112.8 | V22 S26 V117 | V22-E24 PolarHBondContact O-N 3.07Å; E24-S26 VanDerWaalsContact C-N 3.33Å; E24-S26 PolarHBondContact O-N 3.5Å; E24-V117 HydrophobicContact CB-CG2 3.98Å; E24-V117 HydrophobicContact CG-CG2 4.14Å |
| 25 | I | 62.3 | Low | 75.1 | Confident | 143 Ų | 143 | 72 Ų | 72 | 73% | 0.733 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -34.9 | 179.8 | -56.2 | 174 | 0 | 0 | 0 | 111.3 | E23 | E23-I25 PolarHBondContact O-N 2.62Å; E23-I25 VanDerWaalsContact O-N 3.15Å |
| 26 | S | 66.2 | Low | 74.6 | Confident | 27 Ų | 27 | 72.8 Ų | 72.8 | 19% | 0.189 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -77.4 | -24.7 | -171.7 | -61.6 | 0 | 0 | 0 | 0 | 112.5 | E23 E24 L28 Q29 V32 | E23-S26 PolarHBondContact O-N 3.14Å; E23-S26 PolarHBondContact OE2-OG 3.02Å; E24-S26 VanDerWaalsContact C-N 3.33Å; E24-S26 PolarHBondContact O-N 3.5Å; S26-L28 VanDerWaalsContact C-N 3.3Å; S26-L28 PolarHBondContact O-N 3.15Å; S26-Q29 WeakPolarHBondContact O-CB 3.35Å; S26-Q29 PolarHBondContact O-N 3.36Å; S26-Q29 VanDerWaalsContact O-N 3.15Å; S26-V32 WeakPolarHBondContact O-CB 3.29Å; S26-V32 WeakPolarHBondContact O-CG2 3.32Å |
| 27 | L | 66.4 | Low | 74.2 | Confident | 12 Ų | 12 | 78.4 Ų | 78.4 | 6% | 0.063 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -67.4 | -23 | -179.8 | -81.3 | 137.6 | 0 | 0 | 0 | 115 | V22 Q29 V32 V117 | V22-L27 HydrophobicContact CB-CD1 3.93Å; V22-L27 HydrophobicContact CG1-CD1 3.45Å; V22-L27 VanDerWaalsContact CG1-CD1 3.45Å; V22-L27 HydrophobicContact CG1-CD2 4.3Å; V22-L27 HydrophobicContact CG1-CG 3.73Å; L27-Q29 VanDerWaalsContact C-N 3.25Å; L27-Q29 PolarHBondContact O-N 3.04Å; L27-V32 HydrophobicContact CD2-CG1 4.01Å; L27-V32 HydrophobicContact CG-CG1 4.17Å; L27-V117 HydrophobicContact CD1-CB 4.21Å; L27-V117 HydrophobicContact CD1-CG1 3.5Å; L27-V117 HydrophobicContact CD1-CG2 3.81Å |
| 28 | L | 67.6 | Low | 74 | Confident | 146 Ų | 146 | 82.5 Ų | 82.5 | 76% | 0.764 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -82.8 | 0.7 | 175.1 | -69.2 | 171.2 | 0 | 0 | 0 | 113.2 | S26 | S26-L28 VanDerWaalsContact C-N 3.3Å; S26-L28 PolarHBondContact O-N 3.15Å |
| 29 | Q | 75.5 | Confident | 73.8 | Confident | 90 Ų | 90 | 84.8 Ų | 84.8 | 42% | 0.421 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -82.8 | 135.9 | 173.7 | -60.8 | -176.4 | -1.3 | 0 | 0 | 109.8 | S26 L27 Q31 V32 E33 | S26-Q29 WeakPolarHBondContact O-CB 3.35Å; S26-Q29 PolarHBondContact O-N 3.36Å; S26-Q29 VanDerWaalsContact O-N 3.15Å; L27-Q29 VanDerWaalsContact C-N 3.25Å; L27-Q29 PolarHBondContact O-N 3.04Å; Q29-Q31 PolarHBondContact O-N 3.39Å; Q29-Q31 VanDerWaalsContact O-N 3.07Å; Q29-V32 HydrophobicContact CB-CG2 4.5Å; Q29-V32 PolarHBondContact O-N 3.23Å; Q29-E33 PolarHBondContact O-N 3.36Å |
| 30 | P | 77.1 | Confident | 73.8 | Confident | 87 Ų | 87 | 86 Ų | 86 | 57% | 0.565 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.1 | -28.2 | -178.5 | 22.6 | -33.6 | 0 | 0 | 0 | 112.8 | V32 E33 E34 | P30-V32 VanDerWaalsContact C-N 3.25Å; P30-V32 PolarHBondContact O-N 2.88Å; P30-E33 PolarHBondContact O-N 3.14Å; P30-E34 WeakPolarHBondContact O-CG 3.38Å; P30-E34 PolarHBondContact O-N 3.07Å |
| 31 | Q | 74.7 | Confident | 74.1 | Confident | 139 Ų | 139 | 85.5 Ų | 85.5 | 65% | 0.65 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.6 | -29.9 | 174 | -61.7 | 179 | 2.2 | 0 | 0 | 113.2 | Q29 S35 | Q29-Q31 PolarHBondContact O-N 3.39Å; Q29-Q31 VanDerWaalsContact O-N 3.07Å; Q31-S35 PolarHBondContact O-N 3.43Å |
| 32 | V | 71.3 | Confident | 75 | Confident | 29 Ų | 29 | 79.4 Ų | 79.4 | 18% | 0.176 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -87 | -33.8 | 177 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | S26 L27 Q29 P30 S35 V36 | S26-V32 WeakPolarHBondContact O-CB 3.29Å; S26-V32 WeakPolarHBondContact O-CG2 3.32Å; L27-V32 HydrophobicContact CD2-CG1 4.01Å; L27-V32 HydrophobicContact CG-CG1 4.17Å; Q29-V32 HydrophobicContact CB-CG2 4.5Å; Q29-V32 PolarHBondContact O-N 3.23Å; P30-V32 VanDerWaalsContact C-N 3.25Å; P30-V32 PolarHBondContact O-N 2.88Å; V32-S35 WeakPolarHBondContact O-CA 3.04Å; V32-S35 VanDerWaalsContact O-CB 3.26Å; V32-S35 WeakPolarHBondContact O-CB 3.16Å; V32-S35 PolarHBondContact O-N 2.85Å; V32-S35 PolarHBondContact O-OG 2.93Å; V32-V36 PolarHBondContact O-N 3.43Å; V32-V36 VanDerWaalsContact O-N 3.14Å |
| 33 | E | 75.4 | Confident | 76.1 | Confident | 97 Ų | 97 | 82.4 Ų | 82.4 | 45% | 0.453 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58 | -47.2 | 167.6 | -60.7 | -174.3 | 164.5 | 0 | 0 | 111.4 | Q29 P30 S35 V36 L37 | Q29-E33 PolarHBondContact O-N 3.36Å; P30-E33 PolarHBondContact O-N 3.14Å; E33-S35 PolarHBondContact O-N 3.23Å; E33-V36 WeakPolarHBondContact O-CB 3.45Å; E33-V36 PolarHBondContact O-N 3.36Å; E33-L37 PolarHBondContact O-N 2.98Å |
| 34 | E | 78.9 | Confident | 77 | Confident | 126 Ų | 126 | 80.5 Ų | 80.5 | 59% | 0.589 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -59 | -29.9 | 171.4 | -75.3 | -179.5 | -172.9 | 0 | 0 | 112.8 | P30 V36 L37 | P30-E34 WeakPolarHBondContact O-CG 3.38Å; P30-E34 PolarHBondContact O-N 3.07Å; E34-V36 VanDerWaalsContact C-N 3.34Å; E34-L37 PolarHBondContact O-N 3.03Å |
| 35 | S | 76.9 | Confident | 77.9 | Confident | 15 Ų | 15 | 75.9 Ų | 75.9 | 11% | 0.105 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69.6 | -31.4 | 176.3 | 89.5 | 0 | 0 | 0 | 0 | 112.8 | Q31 V32 E33 L37 N38 K41 | Q31-S35 PolarHBondContact O-N 3.43Å; V32-S35 WeakPolarHBondContact O-CA 3.04Å; V32-S35 VanDerWaalsContact O-CB 3.26Å; V32-S35 WeakPolarHBondContact O-CB 3.16Å; V32-S35 PolarHBondContact O-N 2.85Å; V32-S35 PolarHBondContact O-OG 2.93Å; E33-S35 PolarHBondContact O-N 3.23Å; S35-L37 VanDerWaalsContact C-N 3.34Å; S35-N38 PolarHBondContact O-N 2.83Å; S35-K41 WeakPolarHBondContact O-CB 3.14Å |
| 36 | V | 81.3 | Confident | 79.1 | Confident | 15 Ų | 15 | 69.1 Ų | 69.1 | 9% | 0.091 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71.2 | -31.4 | 176.6 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | V32 E33 E34 N38 F42 H128 | V32-V36 PolarHBondContact O-N 3.43Å; V32-V36 VanDerWaalsContact O-N 3.14Å; E33-V36 WeakPolarHBondContact O-CB 3.45Å; E33-V36 PolarHBondContact O-N 3.36Å; E34-V36 VanDerWaalsContact C-N 3.34Å; V36-N38 VanDerWaalsContact C-N 3.29Å; V36-N38 PolarHBondContact O-N 3.44Å; V36-F42 HydrophobicContact CB-CD2 4.31Å; V36-F42 HydrophobicContact CG1-CD2 3.97Å; V36-F42 HydrophobicContact CG1-CE2 3.97Å; V36-F42 HydrophobicContact CG2-CD2 4.3Å; V36-F42 HydrophobicContact CG2-CE2 4.46Å; V36-H128 PolarHBondContact O-CD2 3.05Å; V36-H128 PolarHBondContact O-NE2 3.28Å |
| 37 | L | 85 | Confident | 80.1 | Confident | 119 Ų | 119 | 76.3 Ų | 76.3 | 62% | 0.623 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -68 | -27.5 | 175.7 | -61.2 | 179.1 | 0 | 0 | 0 | 113 | E33 E34 S35 L127 H128 | E33-L37 PolarHBondContact O-N 2.98Å; E34-L37 PolarHBondContact O-N 3.03Å; S35-L37 VanDerWaalsContact C-N 3.34Å; L37-L127 HydrophobicContact CD2-CD2 3.95Å; L37-H128 PolarHBondContact O-CE1 3.06Å; L37-H128 VanDerWaalsContact O-CE1 3.23Å; L37-H128 PolarHBondContact O-NE2 3.05Å |
| 38 | N | 85.9 | Confident | 81.1 | Confident | 87 Ų | 87 | 78.1 Ų | 78.1 | 47% | 0.465 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -94 | 114.3 | -178 | -172 | -55.4 | 0 | 0 | 0 | 111.8 | S35 V36 G40 K41 F42 | S35-N38 PolarHBondContact O-N 2.83Å; V36-N38 VanDerWaalsContact C-N 3.29Å; V36-N38 PolarHBondContact O-N 3.44Å; N38-G40 VanDerWaalsContact C-N 3.27Å; N38-G40 PolarHBondContact O-N 3.39Å; N38-G40 VanDerWaalsContact O-N 3.14Å; N38-G40 PolarHBondContact OD1-N 3.22Å; N38-K41 HydrophobicContact CB-CB 4.31Å; N38-K41 HydrophobicContact CB-CD 4.29Å; N38-K41 HydrophobicContact CB-CG 4.33Å; N38-K41 PolarHBondContact O-N 3.23Å; N38-K41 VanDerWaalsContact O-N 3.07Å; N38-F42 WeakPolarHBondContact O-CB 3.44Å; N38-F42 PolarHBondContact O-N 3.15Å |
| 39 | L | 84.7 | Confident | 82.1 | Confident | 67 Ų | 67 | 74.3 Ų | 74.3 | 35% | 0.351 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -49.1 | -42.9 | -178.9 | 179.1 | 66 | 0 | 0 | 0 | 113.8 | F42 H43 H128 N131 | L39-F42 PolarHBondContact O-N 2.81Å; L39-H43 WeakPolarHBondContact O-CB 3.42Å; L39-H43 PolarHBondContact O-N 3.32Å; L39-H128 HydrophobicContact CD1-CB 3.84Å; L39-N131 HydrophobicContact CD1-CB 3.75Å; L39-N131 HydrophobicContact CD2-CB 3.97Å |
| 40 | G | 85.3 | Confident | 82.8 | Confident | 45 Ų | 45 | 70.4 Ų | 70.4 | 46% | 0.464 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.9 | -36.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | N38 N44 | N38-G40 VanDerWaalsContact C-N 3.27Å; N38-G40 PolarHBondContact O-N 3.39Å; N38-G40 VanDerWaalsContact O-N 3.14Å; N38-G40 PolarHBondContact OD1-N 3.22Å; G40-N44 PolarHBondContact O-ND2 2.91Å |
| 41 | K | 83.1 | Confident | 83.5 | Confident | 107 Ų | 107 | 69 Ų | 69 | 47% | 0.465 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -72.1 | -42.3 | 172.1 | -67.7 | -177.8 | 179 | -178.9 | 0 | 110.6 | S35 N38 H43 N44 | S35-K41 WeakPolarHBondContact O-CB 3.14Å; N38-K41 HydrophobicContact CB-CB 4.31Å; N38-K41 HydrophobicContact CB-CD 4.29Å; N38-K41 HydrophobicContact CB-CG 4.33Å; N38-K41 PolarHBondContact O-N 3.23Å; N38-K41 VanDerWaalsContact O-N 3.07Å; K41-H43 PolarHBondContact O-N 3.04Å; K41-N44 WeakPolarHBondContact O-CB 3.39Å; K41-N44 PolarHBondContact O-N 3.47Å |
| 42 | F | 85.4 | Confident | 84.3 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.2 | -39.5 | -179.6 | -167.2 | -108.8 | 0 | 0 | 0 | 113.4 | V36 N38 L39 N44 I45 V46 V125 H128 L132 | V36-F42 HydrophobicContact CB-CD2 4.31Å; V36-F42 HydrophobicContact CG1-CD2 3.97Å; V36-F42 HydrophobicContact CG1-CE2 3.97Å; V36-F42 HydrophobicContact CG2-CD2 4.3Å; V36-F42 HydrophobicContact CG2-CE2 4.46Å; N38-F42 WeakPolarHBondContact O-CB 3.44Å; N38-F42 PolarHBondContact O-N 3.15Å; L39-F42 PolarHBondContact O-N 2.81Å; F42-N44 PolarHBondContact O-N 3.18Å; F42-I45 WeakPolarHBondContact O-CB 3.38Å; F42-I45 PolarHBondContact O-N 2.87Å; F42-V46 HydrophobicContact CD1-CG2 4.37Å; F42-V46 HydrophobicContact CD2-CG2 4.3Å; F42-V46 HydrophobicContact CE1-CB 4.21Å; F42-V46 HydrophobicContact CE1-CG2 3.77Å; F42-V46 HydrophobicContact CE2-CG2 3.69Å; F42-V46 HydrophobicContact CZ-CB 4.3Å; F42-V46 HydrophobicContact CZ-CG2 3.39Å; F42-V46 PolarHBondContact O-N 3.34Å; F42-V125 HydrophobicContact CE1-CG2 4.07Å; F42-V125 HydrophobicContact CZ-CB 4.49Å; F42-V125 HydrophobicContact CZ-CG2 3.82Å; F42-H128 HydrophobicContact CD1-CB 4.23Å; F42-H128 AromaticContact CD1-CD2 3.68Å; F42-H128 AromaticContact CG-CD2 3.87Å; F42-L132 HydrophobicContact CE1-CD1 4.28Å |
| 43 | H | 85 | Confident | 85.3 | Confident | 115 Ų | 115 | 66.7 Ų | 66.7 | 53% | 0.532 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.1 | -17.6 | 174.5 | -168.9 | -71.9 | 0 | 0 | 0 | 113.2 | L39 K41 | L39-H43 WeakPolarHBondContact O-CB 3.42Å; L39-H43 PolarHBondContact O-N 3.32Å; K41-H43 PolarHBondContact O-N 3.04Å |
| 44 | N | 83.7 | Confident | 86.1 | Confident | 103 Ų | 103 | 63.6 Ų | 63.6 | 55% | 0.551 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -76.4 | -32 | 170.6 | -71.6 | -32.7 | 0 | 0 | 0 | 112.2 | K20 G40 K41 F42 | K20-N44 VanDerWaalsContact CD-O 3.29Å; K20-N44 WeakPolarHBondContact CD-O 3.49Å; K20-N44 WeakPolarHBondContact CE-O 3.41Å; K20-N44 PolarHBondContact NZ-O 3.4Å; G40-N44 PolarHBondContact O-ND2 2.91Å; K41-N44 WeakPolarHBondContact O-CB 3.39Å; K41-N44 PolarHBondContact O-N 3.47Å; F42-N44 PolarHBondContact O-N 3.18Å |
| 45 | I | 84 | Confident | 86.7 | Confident | 24 Ų | 24 | 62.5 Ų | 62.5 | 12% | 0.123 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -77.8 | -49.6 | 179.5 | -59.4 | 169 | 0 | 0 | 0 | 110.7 | L19 K20 V22 F42 | L19-I45 HydrophobicContact CD2-CG2 4.28Å; K20-I45 PolarHBondContact N-O 2.91Å; V22-I45 HydrophobicContact CG2-CG2 3.73Å; F42-I45 WeakPolarHBondContact O-CB 3.38Å; F42-I45 PolarHBondContact O-N 2.87Å |
| 46 | V | 86.9 | Confident | 87.4 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131.5 | -168.9 | -166.7 | 0 | 0 | 0 | 0 | 111.6 | L17 L19 F42 I121 V125 | L17-V46 HydrophobicContact CB-CG1 3.63Å; L17-V46 HydrophobicContact CD2-CG1 3.54Å; L17-V46 HydrophobicContact CG-CG1 4.18Å; L19-V46 HydrophobicContact CD2-CB 4.23Å; L19-V46 HydrophobicContact CD2-CG1 4.13Å; L19-V46 HydrophobicContact CD2-CG2 3.66Å; F42-V46 HydrophobicContact CD1-CG2 4.37Å; F42-V46 HydrophobicContact CD2-CG2 4.3Å; F42-V46 HydrophobicContact CE1-CB 4.21Å; F42-V46 HydrophobicContact CE1-CG2 3.77Å; F42-V46 HydrophobicContact CE2-CG2 3.69Å; F42-V46 HydrophobicContact CZ-CB 4.3Å; F42-V46 HydrophobicContact CZ-CG2 3.39Å; F42-V46 PolarHBondContact O-N 3.34Å; V46-I121 HydrophobicContact CG2-CG2 4.37Å; V46-V125 HydrophobicContact CG1-CG2 4.32Å |
| 47 | R | 87.5 | Confident | 87.9 | Confident | 177 Ų | 177 | 67.5 Ų | 67.5 | 67% | 0.668 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 122.9 | 173 | -179.1 | 177.8 | 178.2 | 172.2 | 1.2 | 110.5 | L17 A18 V49 | L17-R47 CarbonylContact C-O 3.54Å; L17-R47 WeakPolarHBondContact CA-O 3.37Å; A18-R47 PolarHBondContact N-O 2.98Å; A18-R47 PolarHBondContact O-N 3.42Å; R47-V49 PolarHBondContact O-N 3.13Å |
| 48 | L | 89 | Confident | 88.2 | Confident | 51 Ų | 51 | 68.5 Ų | 68.5 | 27% | 0.267 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 124.8 | 169.6 | -174.2 | 65.9 | 0 | 0 | 0 | 109.8 | A15 L17 A50 F51 L132 V133 | A15-L48 HydrophobicContact CB-CD1 3.93Å; L17-L48 HydrophobicContact CD2-CB 4.47Å; L17-L48 HydrophobicContact CD2-CD1 4.12Å; L17-L48 HydrophobicContact CG-CD1 4.04Å; L48-A50 WeakPolarHBondContact CD1-O 3.2Å; L48-F51 HydrophobicContact CD2-CB 4.39Å; L48-L132 WeakPolarHBondContact CD2-O 3.48Å; L48-V133 HydrophobicContact CD2-CG2 4.27Å |
| 49 | V | 88.7 | Confident | 88.6 | Confident | 65 Ų | 65 | 66 Ų | 66 | 39% | 0.394 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -49.4 | 175.8 | 176.4 | 0 | 0 | 0 | 0 | 109.8 | L16 A18 R47 | L16-V49 WeakPolarHBondContact O-CB 3.29Å; L16-V49 PolarHBondContact O-N 3.42Å; A18-V49 HydrophobicContact CB-CG2 3.46Å; A18-V49 VanDerWaalsContact CB-CG2 3.46Å; R47-V49 PolarHBondContact O-N 3.13Å |
| 50 | A | 90 | Very high | 89 | Confident | 9 Ų | 9 | 63.1 Ų | 63.1 | 7% | 0.074 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 151 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A15 L16 L48 L79 H83 | A15-A50 WeakPolarHBondContact CA-O 3.41Å; L16-A50 HydrophobicContact CB-CB 4.37Å; L16-A50 PolarHBondContact N-O 3.07Å; L16-A50 PolarHBondContact O-N 3.28Å; L16-A50 VanDerWaalsContact O-N 3.14Å; L48-A50 WeakPolarHBondContact CD1-O 3.2Å; A50-L79 HydrophobicContact CB-CD1 4.19Å; A50-H83 HydrophobicContact CB-CB 4.28Å; A50-H83 WeakPolarHBondContact CB-CD2 3.39Å; A50-H83 WeakPolarHBondContact CB-NE2 3.48Å |
| 51 | F | 91.3 | Very high | 89.4 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 25% | 0.25 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 119.5 | 171.4 | 175.9 | -115.9 | 0 | 0 | 0 | 108.3 | V12 Y14 A15 L48 P53 F129 V133 | V12-F51 HydrophobicContact CB-CZ 4.28Å; V12-F51 HydrophobicContact CG1-CZ 3.89Å; Y14-F51 WeakPolarHBondContact O-CA 3.25Å; Y14-F51 WeakPolarHBondContact O-CD2 3.26Å; A15-F51 HydrophobicContact CB-CD2 4.06Å; L48-F51 HydrophobicContact CD2-CB 4.39Å; F51-P53 HydrophobicContact CE1-CB 3.85Å; F51-P53 HydrophobicContact CE1-CG 4.3Å; F51-P53 HydrophobicContact CZ-CB 4.17Å; F51-P53 WeakPolarHBondContact O-CD 3.41Å; F51-F129 HydrophobicContact CD2-CZ 4.45Å; F51-F129 AromaticContact CE2-CZ 3.99Å; F51-F129 HydrophobicContact CE2-CZ 3.99Å; F51-V133 HydrophobicContact CD1-CG1 3.64Å; F51-V133 HydrophobicContact CD2-CG2 4.22Å; F51-V133 HydrophobicContact CE1-CG1 3.68Å; F51-V133 HydrophobicContact CE2-CG2 4.43Å; F51-V133 HydrophobicContact CG-CG1 4.14Å; F51-V133 HydrophobicContact CG-CG2 4.29Å; F51-V133 HydrophobicContact CZ-CG1 4.23Å |
| 52 | C | 91.4 | Very high | 89.9 | Confident | 45 Ų | 45 | 62.8 Ų | 62.8 | 30% | 0.304 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 101 | 175.5 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | G13 Y14 L79 | G13-C52 CarbonylContact C-O 3.54Å; G13-C52 WeakPolarHBondContact CA-O 3.44Å; Y14-C52 PolarHBondContact N-O 3.26Å; Y14-C52 PolarHBondContact O-N 3.43Å; C52-L79 HydrophobicContact CB-CD1 3.71Å |
| 53 | P | 92.1 | Very high | 90.3 | Very high | 74 Ų | 74 | 62.8 Ų | 62.8 | 48% | 0.481 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 143.5 | 174.2 | 29.9 | -33.5 | 0 | 0 | 0 | 111.1 | V12 F51 A55 | V12-P53 CarbonylContact O-C 3.53Å; V12-P53 VanDerWaalsContact O-CA 3.3Å; V12-P53 WeakPolarHBondContact O-CA 3.47Å; F51-P53 HydrophobicContact CE1-CB 3.85Å; F51-P53 HydrophobicContact CE1-CG 4.3Å; F51-P53 HydrophobicContact CZ-CB 4.17Å; F51-P53 WeakPolarHBondContact O-CD 3.41Å; P53-A55 PolarHBondContact O-N 3.32Å |
| 54 | F | 93.2 | Very high | 90.7 | Very high | 33 Ų | 33 | 58.4 Ų | 58.4 | 15% | 0.145 | 33% | 0.327 | C | S | . | . | trans | -68.1 | 130.2 | 173.4 | -60.1 | -49.8 | 0 | 0 | 0 | 110.7 | H10 V12 Y14 S56 V59 A60 N63 | H10-F54 WeakPolarHBondContact O-CE2 3.37Å; V12-F54 PolarHBondContact O-N 3.16Å; Y14-F54 AromaticContact CD2-CE1 3.88Å; Y14-F54 HydrophobicContact CD2-CE1 3.88Å; Y14-F54 HydrophobicContact CD2-CZ 4.18Å; Y14-F54 HydrophobicContact CE1-CZ 4.39Å; Y14-F54 AromaticContact CE2-CE1 3.56Å; Y14-F54 HydrophobicContact CE2-CE1 3.56Å; Y14-F54 AromaticContact CE2-CZ 3.86Å; Y14-F54 HydrophobicContact CE2-CZ 3.86Å; Y14-F54 AromaticContact CZ-CZ 3.95Å; F54-S56 VanDerWaalsContact C-N 3.27Å; F54-S56 PolarHBondContact O-N 2.93Å; F54-V59 HydrophobicContact CD1-CG1 4.3Å; F54-A60 HydrophobicContact CB-CB 3.97Å; F54-A60 HydrophobicContact CD2-CB 3.47Å; F54-A60 VanDerWaalsContact CD2-CB 3.47Å; F54-A60 HydrophobicContact CE2-CB 4.19Å; F54-A60 HydrophobicContact CG-CB 3.9Å; F54-N63 HydrophobicContact CD1-CB 4.44Å; F54-N63 HydrophobicContact CE1-CB 3.65Å; F54-N63 WeakPolarHBondContact CE1-ND2 3.47Å; F54-N63 HydrophobicContact CE2-CB 4.45Å; F54-N63 HydrophobicContact CZ-CB 3.65Å | ||
| 55 | A | 90.7 | Very high | 91.1 | Very high | 103 Ų | 103 | 55.2 Ų | 55.2 | 85% | 0.851 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -67.8 | -23.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P53 | P53-A55 PolarHBondContact O-N 3.32Š|
| 56 | S | 92.4 | Very high | 91.6 | Very high | 46 Ų | 46 | 54.8 Ų | 54.8 | 32% | 0.322 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -152.8 | 155.2 | -176.7 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | F54 Q58 V59 A60 | F54-S56 VanDerWaalsContact C-N 3.27Å; F54-S56 PolarHBondContact O-N 2.93Å; S56-Q58 PolarHBondContact O-N 3.37Å; S56-Q58 PolarHBondContact OG-N 2.92Å; S56-V59 PolarHBondContact O-N 3.34Å; S56-A60 PolarHBondContact O-N 2.84Å |
| 57 | S | 90.2 | Very high | 91.8 | Very high | 88 Ų | 88 | 55.8 Ų | 55.8 | 62% | 0.615 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.1 | -21.5 | 172.9 | 58.1 | 0 | 0 | 0 | 0 | 113.4 | L61 | S57-L61 WeakPolarHBondContact O-CB 3.4Å; S57-L61 PolarHBondContact O-N 3.12Å; S57-L61 VanDerWaalsContact O-N 3.1Å |
| 58 | Q | 92 | Very high | 92 | Very high | 140 Ų | 140 | 50 Ų | 50 | 65% | 0.654 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -69.1 | -51.5 | 171.8 | -69.8 | 174.1 | -38.3 | 0 | 0 | 110.9 | S56 A60 L61 E62 | S56-Q58 PolarHBondContact O-N 3.37Å; S56-Q58 PolarHBondContact OG-N 2.92Å; Q58-A60 VanDerWaalsContact C-N 3.29Å; Q58-A60 PolarHBondContact O-N 3.08Å; Q58-L61 WeakPolarHBondContact O-CA 3.25Å; Q58-L61 WeakPolarHBondContact O-CB 3.36Å; Q58-L61 PolarHBondContact O-N 2.88Å; Q58-E62 WeakPolarHBondContact O-CG 3.24Å; Q58-E62 PolarHBondContact O-N 3.48Å |
| 59 | V | 93.3 | Very high | 92.1 | Very high | 35 Ų | 35 | 53.4 Ų | 53.4 | 21% | 0.212 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 175.5 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | F54 S56 L61 E62 N63 D75 | F54-V59 HydrophobicContact CD1-CG1 4.3Å; S56-V59 PolarHBondContact O-N 3.34Å; V59-L61 VanDerWaalsContact C-N 3.31Å; V59-L61 PolarHBondContact O-N 2.91Å; V59-E62 PolarHBondContact O-N 3.38Å; V59-N63 WeakPolarHBondContact CG1-ND2 3.24Å; V59-N63 WeakPolarHBondContact O-CB 3.32Å; V59-N63 PolarHBondContact O-N 2.88Å; V59-N63 PolarHBondContact O-ND2 3.28Å; V59-D75 VanDerWaalsContact CG1-OD2 3.24Å; V59-D75 WeakPolarHBondContact CG1-OD2 3.41Å |
| 60 | A | 93.8 | Very high | 92.1 | Very high | 7 Ų | 7 | 50.9 Ų | 50.9 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.6 | -37 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F54 S56 Q58 A64 L148 | F54-A60 HydrophobicContact CB-CB 3.97Å; F54-A60 HydrophobicContact CD2-CB 3.47Å; F54-A60 VanDerWaalsContact CD2-CB 3.47Å; F54-A60 HydrophobicContact CE2-CB 4.19Å; F54-A60 HydrophobicContact CG-CB 3.9Å; S56-A60 PolarHBondContact O-N 2.84Å; Q58-A60 VanDerWaalsContact C-N 3.29Å; Q58-A60 PolarHBondContact O-N 3.08Å; A60-A64 VanDerWaalsContact O-CB 3.23Å; A60-A64 WeakPolarHBondContact O-CB 3.38Å; A60-A64 PolarHBondContact O-N 3.39Å; A60-L148 HydrophobicContact CB-CD1 4.12Å |
| 61 | L | 93.6 | Very high | 92.2 | Very high | 38 Ų | 38 | 54.2 Ų | 54.2 | 20% | 0.199 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.4 | -40.5 | 175.8 | 175.1 | 62.4 | 0 | 0 | 0 | 112.2 | S57 Q58 V59 A64 N65 L148 Y152 A155 | S57-L61 WeakPolarHBondContact O-CB 3.4Å; S57-L61 PolarHBondContact O-N 3.12Å; S57-L61 VanDerWaalsContact O-N 3.1Å; Q58-L61 WeakPolarHBondContact O-CA 3.25Å; Q58-L61 WeakPolarHBondContact O-CB 3.36Å; Q58-L61 PolarHBondContact O-N 2.88Å; V59-L61 VanDerWaalsContact C-N 3.31Å; V59-L61 PolarHBondContact O-N 2.91Å; L61-A64 PolarHBondContact O-N 2.76Å; L61-N65 PolarHBondContact O-N 2.96Å; L61-N65 PolarHBondContact O-ND2 3.37Å; L61-L148 HydrophobicContact CB-CD1 4.37Å; L61-Y152 HydrophobicContact CD1-CD2 4.38Å; L61-A155 HydrophobicContact CD1-CB 4.38Å; L61-A155 HydrophobicContact CD2-CB 4.37Å |
| 62 | E | 93.4 | Very high | 92.2 | Very high | 107 Ų | 107 | 52 Ų | 52 | 50% | 0.5 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.4 | -49.2 | 175.5 | -72.7 | 162.4 | 176.5 | 0 | 0 | 110.8 | Q58 V59 A64 N65 A66 | Q58-E62 WeakPolarHBondContact O-CG 3.24Å; Q58-E62 PolarHBondContact O-N 3.48Å; V59-E62 PolarHBondContact O-N 3.38Å; E62-A64 PolarHBondContact O-N 2.92Å; E62-N65 PolarHBondContact O-N 2.85Å; E62-A66 PolarHBondContact O-N 3.1Å |
| 63 | N | 93.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.4 | -46.6 | 172.2 | -82.8 | -83.8 | 0 | 0 | 0 | 112.3 | Y14 F54 V59 N65 A66 V67 H73 D75 | Y14-N63 WeakPolarHBondContact CE2-OD1 3.26Å; Y14-N63 WeakPolarHBondContact OH-CB 3.4Å; Y14-N63 PolarHBondContact OH-OD1 3.49Å; F54-N63 HydrophobicContact CD1-CB 4.44Å; F54-N63 HydrophobicContact CE1-CB 3.65Å; F54-N63 WeakPolarHBondContact CE1-ND2 3.47Å; F54-N63 HydrophobicContact CE2-CB 4.45Å; F54-N63 HydrophobicContact CZ-CB 3.65Å; V59-N63 WeakPolarHBondContact CG1-ND2 3.24Å; V59-N63 WeakPolarHBondContact O-CB 3.32Å; V59-N63 PolarHBondContact O-N 2.88Å; V59-N63 PolarHBondContact O-ND2 3.28Å; N63-N65 VanDerWaalsContact C-N 3.31Å; N63-N65 PolarHBondContact O-N 3.43Å; N63-A66 PolarHBondContact O-N 2.74Å; N63-V67 WeakPolarHBondContact O-CB 3.28Å; N63-V67 VanDerWaalsContact O-CG2 3.29Å; N63-V67 WeakPolarHBondContact O-CG2 3.42Å; N63-V67 PolarHBondContact O-N 2.94Å; N63-H73 PolarHBondContact ND2-CE1 3.17Å; N63-H73 PolarHBondContact ND2-ND1 2.9Å; N63-H73 VanDerWaalsContact OD1-CB 3.3Å; N63-H73 WeakPolarHBondContact OD1-CB 3.46Å; N63-H73 VanDerWaalsContact OD1-CG 3.31Å; N63-H73 PolarHBondContact OD1-ND1 2.91Å; N63-D75 PolarHBondContact ND2-OD2 3.36Å |
| 64 | A | 93.4 | Very high | 92.1 | Very high | 23 Ų | 23 | 55.7 Ų | 55.7 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.1 | -33 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A60 L61 E62 S68 L148 | A60-A64 VanDerWaalsContact O-CB 3.23Å; A60-A64 WeakPolarHBondContact O-CB 3.38Å; A60-A64 PolarHBondContact O-N 3.39Å; L61-A64 PolarHBondContact O-N 2.76Å; E62-A64 PolarHBondContact O-N 2.92Å; A64-S68 VanDerWaalsContact O-CB 3.22Å; A64-S68 WeakPolarHBondContact O-CB 3.48Å; A64-S68 PolarHBondContact O-N 2.87Å; A64-L148 HydrophobicContact CB-CD1 4.08Å; A64-L148 HydrophobicContact CB-CD2 4.23Å; A64-L148 HydrophobicContact CB-CG 4.44Å |
| 65 | N | 93.3 | Very high | 92 | Very high | 36 Ų | 36 | 56.3 Ų | 56.3 | 19% | 0.193 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.5 | -44.8 | 172.3 | -72.7 | -48.3 | 0 | 0 | 0 | 111.4 | L61 E62 N63 S68 E69 Y152 | L61-N65 PolarHBondContact O-N 2.96Å; L61-N65 PolarHBondContact O-ND2 3.37Å; E62-N65 PolarHBondContact O-N 2.85Å; N63-N65 VanDerWaalsContact C-N 3.31Å; N63-N65 PolarHBondContact O-N 3.43Å; N65-S68 PolarHBondContact O-N 3.14Å; N65-E69 WeakPolarHBondContact O-CB 3.38Å; N65-E69 WeakPolarHBondContact O-CG 3.5Å; N65-E69 PolarHBondContact O-N 3.15Å; N65-Y152 WeakPolarHBondContact OD1-CD2 3.49Å; N65-Y152 WeakPolarHBondContact OD1-CE2 3.26Å |
| 66 | A | 92.8 | Very high | 92 | Very high | 15 Ų | 15 | 51.5 Ų | 51.5 | 12% | 0.124 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.3 | -49.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E62 N63 S68 E69 G70 V71 H73 | E62-A66 PolarHBondContact O-N 3.1Å; N63-A66 PolarHBondContact O-N 2.74Å; A66-S68 PolarHBondContact O-N 2.97Å; A66-E69 CarbonylContact O-C 3.36Å; A66-E69 PolarHBondContact O-N 2.74Å; A66-E69 VanDerWaalsContact O-N 3.09Å; A66-G70 PolarHBondContact O-N 3.25Å; A66-V71 CarbonylContact C-O 3.42Å; A66-V71 HydrophobicContact CB-CB 4.5Å; A66-V71 PolarHBondContact O-N 3.07Å; A66-H73 HydrophobicContact CB-CB 4.16Å |
| 67 | V | 92.5 | Very high | 91.9 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -53.2 | -50.6 | 171.1 | 163.5 | 0 | 0 | 0 | 0 | 110.9 | E9 Y14 N63 E69 G70 I100 | E9-V67 WeakPolarHBondContact OE2-CG1 3.23Å; Y14-V67 HydrophobicContact CE1-CG2 4.1Å; Y14-V67 WeakPolarHBondContact OH-CG2 3.44Å; N63-V67 WeakPolarHBondContact O-CB 3.28Å; N63-V67 VanDerWaalsContact O-CG2 3.29Å; N63-V67 WeakPolarHBondContact O-CG2 3.42Å; N63-V67 PolarHBondContact O-N 2.94Å; V67-E69 PolarHBondContact O-N 3.09Å; V67-G70 PolarHBondContact O-N 3.2Å; V67-G70 VanDerWaalsContact O-N 3.15Å; V67-I100 HydrophobicContact CB-CD1 4.11Å; V67-I100 HydrophobicContact CG1-CD1 3.7Å; V67-I100 HydrophobicContact CG2-CD1 4.26Å |
| 68 | S | 91.3 | Very high | 92 | Very high | 55 Ų | 55 | 54.6 Ų | 54.6 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.3 | -23.7 | 178.7 | 176.9 | 0 | 0 | 0 | 0 | 114.4 | A64 N65 A66 Y152 | A64-S68 VanDerWaalsContact O-CB 3.22Å; A64-S68 WeakPolarHBondContact O-CB 3.48Å; A64-S68 PolarHBondContact O-N 2.87Å; N65-S68 PolarHBondContact O-N 3.14Å; A66-S68 PolarHBondContact O-N 2.97Å; S68-Y152 PolarHBondContact OG-OH 3.03Å |
| 69 | E | 90.4 | Very high | 91.9 | Very high | 123 Ų | 123 | 48.2 Ų | 48.2 | 58% | 0.575 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -97.3 | -10.5 | -179.8 | -72.7 | 168.9 | -164.3 | 0 | 0 | 112 | N65 A66 V67 V71 K156 | N65-E69 WeakPolarHBondContact O-CB 3.38Å; N65-E69 WeakPolarHBondContact O-CG 3.5Å; N65-E69 PolarHBondContact O-N 3.15Å; A66-E69 CarbonylContact O-C 3.36Å; A66-E69 PolarHBondContact O-N 2.74Å; A66-E69 VanDerWaalsContact O-N 3.09Å; V67-E69 PolarHBondContact O-N 3.09Å; E69-V71 HydrophobicContact CB-CG2 4.49Å; E69-K156 IonicContact OE1-NZ 3.1Å; E69-K156 PolarHBondContact OE1-NZ 2.92Å |
| 70 | G | 89.8 | Confident | 91.7 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 18.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A66 V67 A103 | A66-G70 PolarHBondContact O-N 3.25Å; V67-G70 PolarHBondContact O-N 3.2Å; V67-G70 VanDerWaalsContact O-N 3.15Å; G70-A103 VanDerWaalsContact O-CB 3.3Å; G70-A103 WeakPolarHBondContact O-CB 3.49Å |
| 71 | V | 91.5 | Very high | 91.4 | Very high | 80 Ų | 80 | 51.5 Ų | 51.5 | 49% | 0.485 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -101.7 | 138.6 | -177.1 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | A66 E69 H73 | A66-V71 CarbonylContact C-O 3.42Å; A66-V71 HydrophobicContact CB-CB 4.5Å; A66-V71 PolarHBondContact O-N 3.07Å; E69-V71 HydrophobicContact CB-CG2 4.49Å; V71-H73 PolarHBondContact O-N 3.15Å |
| 72 | V | 90.5 | Very high | 91.2 | Very high | 9 Ų | 9 | 53.9 Ų | 53.9 | 6% | 0.055 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 117.1 | 176.6 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | L76 R77 A103 I104 E107 | V72-L76 HydrophobicContact CG1-CB 4.31Å; V72-L76 HydrophobicContact CG1-CD2 4.3Å; V72-L76 HydrophobicContact CG1-CG 4.28Å; V72-R77 HydrophobicContact CG1-CB 4.15Å; V72-A103 HydrophobicContact CG2-CB 3.89Å; V72-I104 HydrophobicContact CG2-CG1 3.76Å; V72-E107 WeakPolarHBondContact CB-OE2 3.49Å |
| 73 | H | 92.1 | Very high | 90.9 | Very high | 43 Ų | 43 | 52.6 Ų | 52.6 | 20% | 0.199 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 155.4 | 174.2 | -166.9 | -106.6 | 0 | 0 | 0 | 111.8 | N63 A66 V71 D75 L76 R77 | N63-H73 PolarHBondContact ND2-CE1 3.17Å; N63-H73 PolarHBondContact ND2-ND1 2.9Å; N63-H73 VanDerWaalsContact OD1-CB 3.3Å; N63-H73 WeakPolarHBondContact OD1-CB 3.46Å; N63-H73 VanDerWaalsContact OD1-CG 3.31Å; N63-H73 PolarHBondContact OD1-ND1 2.91Å; A66-H73 HydrophobicContact CB-CB 4.16Å; V71-H73 PolarHBondContact O-N 3.15Å; H73-D75 VanDerWaalsContact C-N 3.3Å; H73-D75 IonicContact CE1-OD2 3.84Å; H73-D75 PolarHBondContact CE1-OD2 3.47Å; H73-D75 PolarHBondContact ND1-N 2.87Å; H73-D75 IonicContact ND1-OD2 3.07Å; H73-D75 PolarHBondContact ND1-OD2 3.37Å; H73-D75 PolarHBondContact O-N 3.18Å; H73-L76 WeakPolarHBondContact O-CB 3.47Å; H73-L76 PolarHBondContact O-N 3.39Å; H73-R77 PolarHBondContact O-N 3.08Å |
| 74 | E | 90.8 | Very high | 90.4 | Very high | 154 Ų | 154 | 53 Ų | 53 | 72% | 0.72 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -57.4 | -40.1 | -179.1 | -64.1 | -173.8 | 169.3 | 0 | 0 | 112.6 | L76 R77 L78 | E74-L76 VanDerWaalsContact C-N 3.31Å; E74-L76 PolarHBondContact O-N 2.89Å; E74-R77 PolarHBondContact O-N 3.17Å; E74-L78 WeakPolarHBondContact O-CB 3.11Å; E74-L78 PolarHBondContact O-N 3.03Å |
| 75 | D | 91 | Very high | 89.5 | Confident | 46 Ų | 46 | 53.9 Ų | 53.9 | 25% | 0.246 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 175.2 | -60.7 | -47.7 | 0 | 0 | 0 | 112.7 | Y14 V59 N63 H73 L79 | Y14-D75 HydrophobicContact CE2-CB 4.46Å; V59-D75 VanDerWaalsContact CG1-OD2 3.24Å; V59-D75 WeakPolarHBondContact CG1-OD2 3.41Å; N63-D75 PolarHBondContact ND2-OD2 3.36Å; H73-D75 VanDerWaalsContact C-N 3.3Å; H73-D75 IonicContact CE1-OD2 3.84Å; H73-D75 PolarHBondContact CE1-OD2 3.47Å; H73-D75 PolarHBondContact ND1-N 2.87Å; H73-D75 IonicContact ND1-OD2 3.07Å; H73-D75 PolarHBondContact ND1-OD2 3.37Å; H73-D75 PolarHBondContact O-N 3.18Å; D75-L79 WeakPolarHBondContact O-CB 3.41Å; D75-L79 PolarHBondContact O-N 3.14Å |
| 76 | L | 91 | Very high | 88.3 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71.6 | -41.4 | 179.3 | 179.6 | 57.3 | 0 | 0 | 0 | 110.3 | L7 Y14 V72 H73 E74 L79 L80 I100 I104 | L7-L76 HydrophobicContact CD1-CD1 3.73Å; L7-L76 HydrophobicContact CD2-CD1 3.73Å; L7-L76 HydrophobicContact CD2-CD2 4.3Å; L7-L76 HydrophobicContact CG-CD1 4.37Å; Y14-L76 HydrophobicContact CD1-CD1 4.16Å; Y14-L76 HydrophobicContact CD2-CB 4.29Å; Y14-L76 HydrophobicContact CD2-CD1 4.2Å; Y14-L76 HydrophobicContact CE1-CD1 4.33Å; Y14-L76 HydrophobicContact CE1-CD2 4.5Å; Y14-L76 HydrophobicContact CE2-CB 3.78Å; Y14-L76 HydrophobicContact CE2-CD1 4.34Å; Y14-L76 HydrophobicContact CG-CD1 4.11Å; V72-L76 HydrophobicContact CG1-CB 4.31Å; V72-L76 HydrophobicContact CG1-CD2 4.3Å; V72-L76 HydrophobicContact CG1-CG 4.28Å; H73-L76 WeakPolarHBondContact O-CB 3.47Å; H73-L76 PolarHBondContact O-N 3.39Å; E74-L76 VanDerWaalsContact C-N 3.31Å; E74-L76 PolarHBondContact O-N 2.89Å; L76-L79 HydrophobicContact CD1-CD2 4.34Å; L76-L79 PolarHBondContact O-N 3.45Å; L76-L80 HydrophobicContact CD1-CD1 4.01Å; L76-L80 HydrophobicContact CD1-CG 4.15Å; L76-L80 HydrophobicContact CG-CD1 4Å; L76-L80 VanDerWaalsContact O-CG 3.25Å; L76-L80 WeakPolarHBondContact O-CG 3.21Å; L76-L80 PolarHBondContact O-N 2.88Å; L76-I100 HydrophobicContact CD2-CG2 4.41Å; L76-I104 HydrophobicContact CD2-CD1 4.44Å |
| 77 | R | 90.3 | Very high | 87 | Confident | 92 Ų | 92 | 62.4 Ų | 62.4 | 35% | 0.347 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.4 | -49.2 | 173.7 | -165.5 | -177.5 | -69.8 | 162 | 1 | 110.7 | V72 H73 E74 L79 L80 E81 E107 L108 | V72-R77 HydrophobicContact CG1-CB 4.15Å; H73-R77 PolarHBondContact O-N 3.08Å; E74-R77 PolarHBondContact O-N 3.17Å; R77-L79 PolarHBondContact O-N 3.3Å; R77-L80 PolarHBondContact O-N 3.08Å; R77-E81 HydrophobicContact CG-CG 4.45Å; R77-E81 WeakPolarHBondContact O-CB 3.48Å; R77-E81 WeakPolarHBondContact O-CG 3.25Å; R77-E81 PolarHBondContact O-N 2.84Å; R77-E107 IonicContact CZ-OE2 2.71Å; R77-E107 IonicContact NE-OE2 3.69Å; R77-E107 PolarHBondContact NE-OE2 2.97Å; R77-E107 VanDerWaalsContact NE-OE2 3.13Å; R77-E107 IonicContact NH2-OE1 2.73Å; R77-E107 PolarHBondContact NH2-OE1 2.95Å; R77-E107 VanDerWaalsContact NH2-OE1 3.07Å; R77-E107 IonicContact NH2-OE2 3.5Å; R77-E107 PolarHBondContact NH2-OE2 3Å; R77-L108 HydrophobicContact CG-CD1 4.34Å; R77-L108 HydrophobicContact CG-CD2 3.95Å; R77-L108 HydrophobicContact CG-CG 4.44Å |
| 78 | L | 90.8 | Very high | 85.4 | Confident | 107 Ų | 107 | 71 Ų | 71 | 56% | 0.56 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.1 | -43.3 | 178.7 | -178.5 | 63.7 | 0 | 0 | 0 | 112.5 | E74 T82 | E74-L78 WeakPolarHBondContact O-CB 3.11Å; E74-L78 PolarHBondContact O-N 3.03Å; L78-T82 WeakPolarHBondContact O-CB 3.5Å; L78-T82 PolarHBondContact O-N 2.85Å; L78-T82 PolarHBondContact O-OG1 2.89Å |
| 79 | L | 90.1 | Very high | 84.1 | Confident | 7 Ų | 7 | 75 Ų | 75 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.8 | -49.4 | 175 | 178.3 | 84 | 0 | 0 | 0 | 111.4 | L7 A50 C52 D75 L76 R77 T82 H83 | L7-L79 HydrophobicContact CD1-CD2 4.07Å; A50-L79 HydrophobicContact CB-CD1 4.19Å; C52-L79 HydrophobicContact CB-CD1 3.71Å; D75-L79 WeakPolarHBondContact O-CB 3.41Å; D75-L79 PolarHBondContact O-N 3.14Å; L76-L79 HydrophobicContact CD1-CD2 4.34Å; L76-L79 PolarHBondContact O-N 3.45Å; R77-L79 PolarHBondContact O-N 3.3Å; L79-T82 PolarHBondContact O-N 3.03Å; L79-H83 PolarHBondContact O-CD2 3.06Å; L79-H83 PolarHBondContact O-N 3.48Å; L79-H83 VanDerWaalsContact O-N 3.09Å |
| 80 | L | 88.9 | Confident | 83 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.7 | -44.5 | -175.9 | -66.9 | 170.6 | 0 | 0 | 0 | 111 | L16 L76 R77 T82 L84 L93 I104 L108 | L16-L80 HydrophobicContact CD1-CD2 4.48Å; L76-L80 HydrophobicContact CD1-CD1 4.01Å; L76-L80 HydrophobicContact CD1-CG 4.15Å; L76-L80 HydrophobicContact CG-CD1 4Å; L76-L80 VanDerWaalsContact O-CG 3.25Å; L76-L80 WeakPolarHBondContact O-CG 3.21Å; L76-L80 PolarHBondContact O-N 2.88Å; R77-L80 PolarHBondContact O-N 3.08Å; L80-T82 PolarHBondContact O-N 3.4Å; L80-L84 HydrophobicContact CB-CD1 4.16Å; L80-L84 HydrophobicContact CD2-CD1 3.71Å; L80-L84 HydrophobicContact CD2-CG 4.39Å; L80-L84 VanDerWaalsContact O-CB 3.25Å; L80-L84 WeakPolarHBondContact O-CB 3.44Å; L80-L84 PolarHBondContact O-N 3.23Å; L80-L93 HydrophobicContact CD2-CD1 4.48Å; L80-L93 HydrophobicContact CD2-CD2 3.95Å; L80-I104 HydrophobicContact CD1-CD1 3.87Å; L80-I104 HydrophobicContact CD1-CG1 4.04Å; L80-I104 HydrophobicContact CD1-CG2 4.13Å; L80-L108 HydrophobicContact CB-CD1 3.81Å; L80-L108 HydrophobicContact CD1-CD1 3.65Å; L80-L108 HydrophobicContact CG-CD1 4.39Å |
| 81 | E | 87.8 | Confident | 82.5 | Confident | 111 Ų | 111 | 77.6 Ų | 77.6 | 52% | 0.519 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.7 | -35.8 | 176.2 | -71.5 | 180 | 175 | 0 | 0 | 113.2 | R77 L108 | R77-E81 HydrophobicContact CG-CG 4.45Å; R77-E81 WeakPolarHBondContact O-CB 3.48Å; R77-E81 WeakPolarHBondContact O-CG 3.25Å; R77-E81 PolarHBondContact O-N 2.84Å; E81-L108 HydrophobicContact CG-CD2 3.76Å; E81-L108 WeakPolarHBondContact OE1-CD2 3.18Å |
| 82 | T | 89.5 | Confident | 82.2 | Confident | 88 Ų | 88 | 76 Ų | 76 | 54% | 0.54 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -74.4 | -36 | -178.9 | -58.7 | 0 | 0 | 0 | 0 | 112.6 | L78 L79 L80 | L78-T82 WeakPolarHBondContact O-CB 3.5Å; L78-T82 PolarHBondContact O-N 2.85Å; L78-T82 PolarHBondContact O-OG1 2.89Å; L79-T82 PolarHBondContact O-N 3.03Å; L80-T82 PolarHBondContact O-N 3.4Å |
| 83 | H | 86.4 | Confident | 82.2 | Confident | 80 Ų | 80 | 75.5 Ų | 75.5 | 37% | 0.37 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -112.5 | -18.8 | -168.5 | -65.1 | -67 | 0 | 0 | 0 | 115.8 | L16 A50 L79 | L16-H83 HydrophobicContact CD2-CB 3.64Å; A50-H83 HydrophobicContact CB-CB 4.28Å; A50-H83 WeakPolarHBondContact CB-CD2 3.39Å; A50-H83 WeakPolarHBondContact CB-NE2 3.48Å; L79-H83 PolarHBondContact O-CD2 3.06Å; L79-H83 PolarHBondContact O-N 3.48Å; L79-H83 VanDerWaalsContact O-N 3.09Å |
| 84 | L | 83.4 | Confident | 82 | Confident | 9 Ų | 9 | 73.5 Ų | 73.5 | 5% | 0.047 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -87 | 133.2 | 174.4 | -64.5 | 176.6 | 0 | 0 | 0 | 111.1 | H5 L16 L80 V91 L93 Y110 | H5-L84 HydrophobicContact CB-CD2 3.99Å; L16-L84 HydrophobicContact CD1-CD2 4.3Å; L16-L84 HydrophobicContact CD2-CD2 3.88Å; L16-L84 HydrophobicContact CD2-CG 4.25Å; L80-L84 HydrophobicContact CB-CD1 4.16Å; L80-L84 HydrophobicContact CD2-CD1 3.71Å; L80-L84 HydrophobicContact CD2-CG 4.39Å; L80-L84 VanDerWaalsContact O-CB 3.25Å; L80-L84 WeakPolarHBondContact O-CB 3.44Å; L80-L84 PolarHBondContact O-N 3.23Å; L84-V91 HydrophobicContact CD2-CG1 4.2Å; L84-L93 HydrophobicContact CD1-CD1 4.44Å; L84-L93 HydrophobicContact CD1-CD2 4.47Å; L84-Y110 HydrophobicContact CB-CE1 3.82Å; L84-Y110 HydrophobicContact CB-CE2 4.43Å; L84-Y110 HydrophobicContact CD1-CD1 4.06Å; L84-Y110 HydrophobicContact CD1-CD2 3.87Å; L84-Y110 HydrophobicContact CD1-CE1 3.93Å; L84-Y110 HydrophobicContact CD1-CE2 3.74Å; L84-Y110 HydrophobicContact CD1-CG 4.05Å |
| 85 | P | 75.1 | Confident | 82 | Confident | 42 Ų | 42 | 66.2 Ų | 66.2 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 151 | -179.7 | 27 | -31.7 | 0 | 0 | 0 | 111.7 | V91 | P85-V91 HydrophobicContact CG-CG2 3.68Š|
| 86 | S | 68.9 | Low | 81.8 | Confident | 90 Ų | 90 | 66.4 Ų | 66.4 | 63% | 0.629 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -49.3 | 143.3 | -175.5 | -173.5 | 0 | 0 | 0 | 0 | 114 | K88 K89 | S86-K88 PolarHBondContact O-N 3.38Å; S86-K89 PolarHBondContact O-N 3.09Å; S86-K89 VanDerWaalsContact O-N 3.15Å |
| 87 | K | 64.7 | Low | 81.7 | Confident | 140 Ų | 140 | 68.7 Ų | 68.7 | 61% | 0.609 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -11.8 | -168.7 | -50.2 | -169.9 | -171.3 | -165.4 | 0 | 116.8 | K89 L108 | K87-K89 VanDerWaalsContact C-N 3.32Å; K87-L108 WeakPolarHBondContact CE-O 3.42Å; K87-L108 PolarHBondContact NZ-O 3.48Å |
| 88 | K | 58.7 | Low | 81.7 | Confident | 203 Ų | 203 | 68.2 Ų | 68.2 | 88% | 0.883 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -21.6 | 176.2 | -63.1 | -175.2 | 179.9 | -178.7 | 0 | 113.8 | S86 | S86-K88 PolarHBondContact O-N 3.38Š|
| 89 | K | 63.9 | Low | 81.7 | Confident | 138 Ų | 138 | 69.3 Ų | 69.3 | 60% | 0.6 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -91.3 | 137.8 | 171.9 | -68 | -176.8 | 179.2 | 179.7 | 0 | 109.2 | S86 K87 V91 | S86-K89 PolarHBondContact O-N 3.09Å; S86-K89 VanDerWaalsContact O-N 3.15Å; K87-K89 VanDerWaalsContact C-N 3.32Å; K89-V91 VanDerWaalsContact C-N 3.27Å; K89-V91 HydrophobicContact CB-CG2 4.36Å; K89-V91 PolarHBondContact O-N 2.69Å |
| 90 | K | 68 | Low | 81.7 | Confident | 177 Ų | 177 | 69 Ų | 69 | 77% | 0.77 | 35% | 0.354 | S | S | * | . | trans | -68.5 | 86.2 | 171 | -68.7 | -173.8 | 179.6 | -176.4 | 0 | 109.3 | ||||
| 91 | V | 79.2 | Confident | 81.7 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 7% | 0.067 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 137 | 170.3 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | L84 P85 K89 | L84-V91 HydrophobicContact CD2-CG1 4.2Å; P85-V91 HydrophobicContact CG-CG2 3.68Å; K89-V91 VanDerWaalsContact C-N 3.27Å; K89-V91 HydrophobicContact CB-CG2 4.36Å; K89-V91 PolarHBondContact O-N 2.69Å |
| 92 | L | 85.7 | Confident | 81.9 | Confident | 46 Ų | 46 | 66.5 Ų | 66.5 | 24% | 0.241 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 133.7 | 171.9 | -160.9 | 66 | 0 | 0 | 0 | 107.3 | V2 L3 L4 H5 N111 Q113 | V2-L92 HydrophobicContact CG1-CB 3.94Å; L3-L92 PolarHBondContact O-N 3.36Å; L4-L92 WeakPolarHBondContact CA-O 3.37Å; L4-L92 HydrophobicContact CD1-CB 3.85Å; L4-L92 HydrophobicContact CD1-CD2 4.09Å; L4-L92 HydrophobicContact CD1-CG 3.98Å; H5-L92 PolarHBondContact N-O 3.31Å; L92-N111 HydrophobicContact CD1-CB 3.88Å; L92-Q113 HydrophobicContact CD1-CB 4.35Å; L92-Q113 HydrophobicContact CD2-CB 4.26Å; L92-Q113 HydrophobicContact CG-CB 4.16Å |
| 93 | L | 88.9 | Confident | 82 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 114.5 | 179.9 | -174 | 67.8 | 0 | 0 | 0 | 109.9 | H5 L7 L16 L80 L84 V95 I104 N111 C112 Q113 | H5-L93 HydrophobicContact CB-CD1 4.07Å; H5-L93 CarbonylContact O-C 3.53Å; H5-L93 WeakPolarHBondContact O-CA 3.34Å; L7-L93 HydrophobicContact CB-CD1 4.31Å; L16-L93 HydrophobicContact CD1-CD1 3.96Å; L80-L93 HydrophobicContact CD2-CD1 4.48Å; L80-L93 HydrophobicContact CD2-CD2 3.95Å; L84-L93 HydrophobicContact CD1-CD1 4.44Å; L84-L93 HydrophobicContact CD1-CD2 4.47Å; L93-V95 HydrophobicContact CD2-CG2 3.99Å; L93-V95 HydrophobicContact CG-CG2 3.95Å; L93-I104 HydrophobicContact CD2-CD1 4.21Å; L93-I104 HydrophobicContact CD2-CG2 3.96Å; L93-N111 PolarHBondContact N-O 3.42Å; L93-C112 CarbonylContact O-C 3.53Å; L93-C112 VanDerWaalsContact O-CA 3.24Å; L93-C112 WeakPolarHBondContact O-CA 3.41Å; L93-Q113 PolarHBondContact O-N 2.98Å |
| 94 | G | 88.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 122.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | H5 V6 L7 Q113 | H5-G94 PolarHBondContact O-N 2.91Å; V6-G94 WeakPolarHBondContact CA-O 3.35Å; L7-G94 PolarHBondContact N-O 3.47Å; G94-Q113 WeakPolarHBondContact CA-O 3.42Å |
| 95 | V | 91.1 | Very high | 82.4 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | trans | -123.4 | 147.2 | 177.7 | -173.2 | 0 | 0 | 0 | 0 | 109.3 | L93 D97 I100 I104 C112 Q113 T114 | L93-V95 HydrophobicContact CD2-CG2 3.99Å; L93-V95 HydrophobicContact CG-CG2 3.95Å; V95-D97 WeakPolarHBondContact CG1-O 3.28Å; V95-I100 HydrophobicContact CG1-CB 4.11Å; V95-I100 HydrophobicContact CG1-CG2 4.1Å; V95-I104 HydrophobicContact CG2-CD1 4.29Å; V95-C112 HydrophobicContact CG2-CB 4.4Å; V95-Q113 PolarHBondContact N-O 3.03Å; V95-Q113 VanDerWaalsContact N-O 3.15Å; V95-T114 HydrophobicContact CB-CG2 4.25Å; V95-T114 WeakPolarHBondContact O-CG2 3.4Å | ||
| 96 | G | 87.4 | Confident | 83.1 | Confident | 49 Ų | 49 | 69.5 Ų | 69.5 | 51% | 0.505 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -74.1 | -45.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L122 | G96-L122 VanDerWaalsContact CA-CD1 3.49Š|
| 97 | D | 89 | Confident | 83.9 | Confident | 51 Ų | 51 | 69.2 Ų | 69.2 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -97.8 | 125.4 | 178 | -167.4 | -38.3 | 0 | 0 | 0 | 111 | V95 K99 I100 G101 | V95-D97 WeakPolarHBondContact CG1-O 3.28Å; D97-K99 PolarHBondContact O-N 2.93Å; D97-K99 VanDerWaalsContact OD1-CB 3.31Å; D97-K99 WeakPolarHBondContact OD1-CB 3.44Å; D97-K99 WeakPolarHBondContact OD1-CG 3.33Å; D97-K99 PolarHBondContact OD1-N 2.94Å; D97-I100 HydrophobicContact CB-CB 4.42Å; D97-I100 HydrophobicContact CB-CD1 4.02Å; D97-I100 HydrophobicContact CB-CG1 4.15Å; D97-I100 PolarHBondContact O-N 3.28Å; D97-G101 PolarHBondContact O-N 3.36Å; D97-G101 VanDerWaalsContact O-N 3.07Å |
| 98 | P | 89.7 | Confident | 84.9 | Confident | 81 Ų | 81 | 63 Ų | 63 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.2 | -26.8 | 175.3 | 25.5 | -35.4 | 0 | 0 | 0 | 114.4 | G101 A102 T114 | P98-G101 PolarHBondContact O-N 3.07Å; P98-A102 PolarHBondContact O-N 3.47Å; P98-T114 HydrophobicContact CB-CG2 4.37Å |
| 99 | K | 91.3 | Very high | 86 | Confident | 130 Ų | 130 | 55.3 Ų | 55.3 | 57% | 0.565 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67.7 | -47.2 | 177.4 | -64.7 | 177.8 | 178.8 | 178.2 | 0 | 111.7 | D97 G101 A102 A103 | D97-K99 PolarHBondContact O-N 2.93Å; D97-K99 VanDerWaalsContact OD1-CB 3.31Å; D97-K99 WeakPolarHBondContact OD1-CB 3.44Å; D97-K99 WeakPolarHBondContact OD1-CG 3.33Å; D97-K99 PolarHBondContact OD1-N 2.94Å; K99-G101 VanDerWaalsContact C-N 3.29Å; K99-G101 PolarHBondContact O-N 2.88Å; K99-A102 PolarHBondContact O-N 3.21Å; K99-A103 PolarHBondContact O-N 3.37Å |
| 100 | I | 90.1 | Very high | 86.9 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 176.5 | -59.4 | 173.6 | 0 | 0 | 0 | 109.5 | V67 L76 V95 D97 A102 A103 I104 | V67-I100 HydrophobicContact CB-CD1 4.11Å; V67-I100 HydrophobicContact CG1-CD1 3.7Å; V67-I100 HydrophobicContact CG2-CD1 4.26Å; L76-I100 HydrophobicContact CD2-CG2 4.41Å; V95-I100 HydrophobicContact CG1-CB 4.11Å; V95-I100 HydrophobicContact CG1-CG2 4.1Å; D97-I100 HydrophobicContact CB-CB 4.42Å; D97-I100 HydrophobicContact CB-CD1 4.02Å; D97-I100 HydrophobicContact CB-CG1 4.15Å; D97-I100 PolarHBondContact O-N 3.28Å; I100-A102 PolarHBondContact O-N 2.95Å; I100-A103 PolarHBondContact O-N 3.49Å; I100-I104 HydrophobicContact CG2-CD1 3.73Å; I100-I104 HydrophobicContact CG2-CG1 4.26Å; I100-I104 WeakPolarHBondContact O-CB 3.45Å; I100-I104 VanDerWaalsContact O-CG1 3.28Å; I100-I104 WeakPolarHBondContact O-CG1 3.49Å; I100-I104 PolarHBondContact O-N 3.32Å |
| 101 | G | 89.1 | Confident | 87.7 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.1 | -45.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D97 P98 K99 Q105 C112 | D97-G101 PolarHBondContact O-N 3.36Å; D97-G101 VanDerWaalsContact O-N 3.07Å; P98-G101 PolarHBondContact O-N 3.07Å; K99-G101 VanDerWaalsContact C-N 3.29Å; K99-G101 PolarHBondContact O-N 2.88Å; G101-Q105 WeakPolarHBondContact O-CB 3.21Å; G101-Q105 PolarHBondContact O-N 3.47Å; G101-C112 PolarHBondContact O-SG 3.34Å; G101-C112 VanDerWaalsContact O-SG 3.37Å |
| 102 | A | 90.5 | Very high | 88.1 | Confident | 55 Ų | 55 | 46.4 Ų | 46.4 | 46% | 0.455 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P98 K99 I100 Q105 E106 | P98-A102 PolarHBondContact O-N 3.47Å; K99-A102 PolarHBondContact O-N 3.21Å; I100-A102 PolarHBondContact O-N 2.95Å; A102-Q105 PolarHBondContact O-N 2.98Å; A102-E106 PolarHBondContact O-N 2.97Å |
| 103 | A | 91.2 | Very high | 88.1 | Confident | 17 Ų | 17 | 47 Ų | 47 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G70 V72 K99 I100 Q105 E106 E107 | G70-A103 VanDerWaalsContact O-CB 3.3Å; G70-A103 WeakPolarHBondContact O-CB 3.49Å; V72-A103 HydrophobicContact CG2-CB 3.89Å; K99-A103 PolarHBondContact O-N 3.37Å; I100-A103 PolarHBondContact O-N 3.49Å; A103-Q105 VanDerWaalsContact C-N 3.31Å; A103-Q105 PolarHBondContact O-N 3.43Å; A103-E106 PolarHBondContact O-N 3.47Å; A103-E107 WeakPolarHBondContact O-CG 3.3Å; A103-E107 PolarHBondContact O-N 2.94Å |
| 104 | I | 90.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.3 | -39 | 172.3 | -68.9 | 168.6 | 0 | 0 | 0 | 110.8 | L7 V72 L76 L80 L93 V95 I100 L108 G109 Y110 | L7-I104 HydrophobicContact CD2-CD1 3.99Å; V72-I104 HydrophobicContact CG2-CG1 3.76Å; L76-I104 HydrophobicContact CD2-CD1 4.44Å; L80-I104 HydrophobicContact CD1-CD1 3.87Å; L80-I104 HydrophobicContact CD1-CG1 4.04Å; L80-I104 HydrophobicContact CD1-CG2 4.13Å; L93-I104 HydrophobicContact CD2-CD1 4.21Å; L93-I104 HydrophobicContact CD2-CG2 3.96Å; V95-I104 HydrophobicContact CG2-CD1 4.29Å; I100-I104 HydrophobicContact CG2-CD1 3.73Å; I100-I104 HydrophobicContact CG2-CG1 4.26Å; I100-I104 WeakPolarHBondContact O-CB 3.45Å; I100-I104 VanDerWaalsContact O-CG1 3.28Å; I100-I104 WeakPolarHBondContact O-CG1 3.49Å; I100-I104 PolarHBondContact O-N 3.32Å; I104-L108 HydrophobicContact CG2-CB 4.49Å; I104-L108 HydrophobicContact CG2-CD1 4.33Å; I104-L108 WeakPolarHBondContact O-CA 3.37Å; I104-L108 WeakPolarHBondContact O-CB 3.46Å; I104-L108 PolarHBondContact O-N 2.94Å; I104-G109 PolarHBondContact O-N 3.24Å; I104-Y110 HydrophobicContact CG2-CD2 4.42Å |
| 105 | Q | 89.1 | Confident | 87.5 | Confident | 92 Ų | 92 | 51.6 Ų | 51.6 | 43% | 0.43 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.4 | -37 | 177.4 | -173.6 | 170.2 | 7.9 | 0 | 0 | 112.2 | G101 A102 A103 G109 Y110 | G101-Q105 WeakPolarHBondContact O-CB 3.21Å; G101-Q105 PolarHBondContact O-N 3.47Å; A102-Q105 PolarHBondContact O-N 2.98Å; A103-Q105 VanDerWaalsContact C-N 3.31Å; A103-Q105 PolarHBondContact O-N 3.43Å; Q105-G109 WeakPolarHBondContact O-CA 3.46Å; Q105-G109 PolarHBondContact O-N 3.35Å; Q105-G109 VanDerWaalsContact O-N 3.13Å; Q105-Y110 WeakPolarHBondContact CA-O 3.17Å |
| 106 | E | 88.8 | Confident | 87 | Confident | 173 Ų | 173 | 54.6 Ų | 54.6 | 81% | 0.808 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -70.7 | -51 | 176.2 | -173.1 | 173.5 | 179.1 | 0 | 0 | 112.3 | A102 A103 | A102-E106 PolarHBondContact O-N 2.97Å; A103-E106 PolarHBondContact O-N 3.47Å |
| 107 | E | 86.9 | Confident | 86.8 | Confident | 84 Ų | 84 | 53.5 Ų | 53.5 | 39% | 0.393 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -75.4 | -46 | -175.9 | -66.8 | -166.5 | 166.1 | 0 | 0 | 113.5 | V72 R77 A103 | V72-E107 WeakPolarHBondContact CB-OE2 3.49Å; R77-E107 IonicContact CZ-OE2 2.71Å; R77-E107 IonicContact NE-OE2 3.69Å; R77-E107 PolarHBondContact NE-OE2 2.97Å; R77-E107 VanDerWaalsContact NE-OE2 3.13Å; R77-E107 IonicContact NH2-OE1 2.73Å; R77-E107 PolarHBondContact NH2-OE1 2.95Å; R77-E107 VanDerWaalsContact NH2-OE1 3.07Å; R77-E107 IonicContact NH2-OE2 3.5Å; R77-E107 PolarHBondContact NH2-OE2 3Å; A103-E107 WeakPolarHBondContact O-CG 3.3Å; A103-E107 PolarHBondContact O-N 2.94Å |
| 108 | L | 84.8 | Confident | 86.6 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -104 | -17.8 | -170.7 | -69.2 | 170.2 | 0 | 0 | 0 | 112.9 | R77 L80 E81 K87 I104 Y110 | R77-L108 HydrophobicContact CG-CD1 4.34Å; R77-L108 HydrophobicContact CG-CD2 3.95Å; R77-L108 HydrophobicContact CG-CG 4.44Å; L80-L108 HydrophobicContact CB-CD1 3.81Å; L80-L108 HydrophobicContact CD1-CD1 3.65Å; L80-L108 HydrophobicContact CG-CD1 4.39Å; E81-L108 HydrophobicContact CG-CD2 3.76Å; E81-L108 WeakPolarHBondContact OE1-CD2 3.18Å; K87-L108 WeakPolarHBondContact CE-O 3.42Å; K87-L108 PolarHBondContact NZ-O 3.48Å; I104-L108 HydrophobicContact CG2-CB 4.49Å; I104-L108 HydrophobicContact CG2-CD1 4.33Å; I104-L108 WeakPolarHBondContact O-CA 3.37Å; I104-L108 WeakPolarHBondContact O-CB 3.46Å; I104-L108 PolarHBondContact O-N 2.94Å; L108-Y110 VanDerWaalsContact C-N 3.33Å; L108-Y110 HydrophobicContact CB-CD2 3.52Å; L108-Y110 HydrophobicContact CB-CE2 3.73Å; L108-Y110 HydrophobicContact CD1-CD2 4.29Å; L108-Y110 HydrophobicContact CD1-CE2 4.21Å; L108-Y110 HydrophobicContact CG-CD2 4.49Å; L108-Y110 HydrophobicContact CG-CE2 4.41Å |
| 109 | G | 82.2 | Confident | 86.4 | Confident | 43 Ų | 43 | 49.5 Ų | 49.5 | 44% | 0.443 | 30% | 0.3 | S | S | . | . | trans | 71.5 | 23.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I104 Q105 | I104-G109 PolarHBondContact O-N 3.24Å; Q105-G109 WeakPolarHBondContact O-CA 3.46Å; Q105-G109 PolarHBondContact O-N 3.35Å; Q105-G109 VanDerWaalsContact O-N 3.13Å | ||
| 110 | Y | 83 | Confident | 86 | Confident | 19 Ų | 19 | 46.4 Ų | 46.4 | 8% | 0.075 | 29% | 0.288 | C | S | . | . | trans | -86 | 135.8 | 170.3 | -65.8 | -70.4 | 0 | 0 | 0 | 110.3 | L84 I104 Q105 L108 C112 | L84-Y110 HydrophobicContact CB-CE1 3.82Å; L84-Y110 HydrophobicContact CB-CE2 4.43Å; L84-Y110 HydrophobicContact CD1-CD1 4.06Å; L84-Y110 HydrophobicContact CD1-CD2 3.87Å; L84-Y110 HydrophobicContact CD1-CE1 3.93Å; L84-Y110 HydrophobicContact CD1-CE2 3.74Å; L84-Y110 HydrophobicContact CD1-CG 4.05Å; I104-Y110 HydrophobicContact CG2-CD2 4.42Å; Q105-Y110 WeakPolarHBondContact CA-O 3.17Å; L108-Y110 VanDerWaalsContact C-N 3.33Å; L108-Y110 HydrophobicContact CB-CD2 3.52Å; L108-Y110 HydrophobicContact CB-CE2 3.73Å; L108-Y110 HydrophobicContact CD1-CD2 4.29Å; L108-Y110 HydrophobicContact CD1-CE2 4.21Å; L108-Y110 HydrophobicContact CG-CD2 4.49Å; L108-Y110 HydrophobicContact CG-CE2 4.41Å; Y110-C112 PolarHBondContact O-N 3.13Å; Y110-C112 VanDerWaalsContact O-N 3.14Å; Y110-C112 PolarHBondContact O-SG 2.83Å | ||
| 111 | N | 85.4 | Confident | 85.9 | Confident | 95 Ų | 95 | 46.5 Ų | 46.5 | 51% | 0.508 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 112 | 173.5 | -72.6 | -21.2 | 0 | 0 | 0 | 109.1 | L92 L93 | L92-N111 HydrophobicContact CD1-CB 3.88Å; L93-N111 PolarHBondContact N-O 3.42Å |
| 112 | C | 86.1 | Confident | 85.9 | Confident | 24 Ų | 24 | 47.2 Ų | 47.2 | 16% | 0.162 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 133.9 | 178.7 | -63.5 | 0 | 0 | 0 | 0 | 110.4 | L93 V95 G101 Y110 | L93-C112 CarbonylContact O-C 3.53Å; L93-C112 VanDerWaalsContact O-CA 3.24Å; L93-C112 WeakPolarHBondContact O-CA 3.41Å; V95-C112 HydrophobicContact CG2-CB 4.4Å; G101-C112 PolarHBondContact O-SG 3.34Å; G101-C112 VanDerWaalsContact O-SG 3.37Å; Y110-C112 PolarHBondContact O-N 3.13Å; Y110-C112 VanDerWaalsContact O-N 3.14Å; Y110-C112 PolarHBondContact O-SG 2.83Å |
| 113 | Q | 86 | Confident | 85.7 | Confident | 60 Ų | 60 | 52.2 Ų | 52.2 | 28% | 0.28 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 140.9 | 171.6 | -172.5 | -174 | 12.8 | 0 | 0 | 108.2 | L92 L93 G94 V95 I118 | L92-Q113 HydrophobicContact CD1-CB 4.35Å; L92-Q113 HydrophobicContact CD2-CB 4.26Å; L92-Q113 HydrophobicContact CG-CB 4.16Å; L93-Q113 PolarHBondContact O-N 2.98Å; G94-Q113 WeakPolarHBondContact CA-O 3.42Å; V95-Q113 PolarHBondContact N-O 3.03Å; V95-Q113 VanDerWaalsContact N-O 3.15Å; Q113-I118 HydrophobicContact CB-CD1 3.53Å; Q113-I118 HydrophobicContact CG-CD1 3.53Å |
| 114 | T | 84.4 | Confident | 85.6 | Confident | 58 Ų | 58 | 51.4 Ų | 51.4 | 36% | 0.356 | 29% | 0.292 | S | S | . | . | trans | -134.2 | 151.5 | 176.9 | 60.8 | 0 | 0 | 0 | 0 | 110 | V95 P98 | V95-T114 HydrophobicContact CB-CG2 4.25Å; V95-T114 WeakPolarHBondContact O-CG2 3.4Å; P98-T114 HydrophobicContact CB-CG2 4.37Å | ||
| 115 | G | 81.5 | Confident | 85.6 | Confident | 38 Ų | 38 | 51.4 Ų | 51.4 | 39% | 0.392 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 79.4 | -177.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V117 I118 | G115-V117 PolarHBondContact O-N 2.97Å; G115-I118 PolarHBondContact O-N 3.02Å |
| 116 | G | 81.1 | Confident | 85.6 | Confident | 64 Ų | 64 | 56 Ų | 56 | 66% | 0.66 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | -130.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | I118 A119 | G116-I118 PolarHBondContact O-N 3.39Å; G116-I118 VanDerWaalsContact O-N 3.13Å; G116-A119 WeakPolarHBondContact O-CB 3.49Å; G116-A119 PolarHBondContact O-N 3.01Å |
| 117 | V | 81.5 | Confident | 85.7 | Confident | 27 Ų | 27 | 52 Ų | 52 | 16% | 0.164 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -46.3 | -41.9 | 178.2 | 169.4 | 0 | 0 | 0 | 0 | 113.4 | E24 L27 G115 A119 E120 I121 | E24-V117 HydrophobicContact CB-CG2 3.98Å; E24-V117 HydrophobicContact CG-CG2 4.14Å; L27-V117 HydrophobicContact CD1-CB 4.21Å; L27-V117 HydrophobicContact CD1-CG1 3.5Å; L27-V117 HydrophobicContact CD1-CG2 3.81Å; G115-V117 PolarHBondContact O-N 2.97Å; V117-A119 VanDerWaalsContact C-N 3.29Å; V117-A119 PolarHBondContact O-N 3.28Å; V117-E120 PolarHBondContact O-N 3.4Å; V117-I121 HydrophobicContact CG1-CD1 3.61Å; V117-I121 HydrophobicContact CG1-CG1 4.39Å; V117-I121 WeakPolarHBondContact O-CG1 3.5Å; V117-I121 PolarHBondContact O-N 2.71Å; V117-I121 VanDerWaalsContact O-N 3.08Å |
| 118 | I | 85.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.2 | -31 | -176.5 | -71.6 | 149.5 | 0 | 0 | 0 | 111.5 | L4 Q113 G115 G116 L122 | L4-I118 HydrophobicContact CD1-CD1 4.41Å; Q113-I118 HydrophobicContact CB-CD1 3.53Å; Q113-I118 HydrophobicContact CG-CD1 3.53Å; G115-I118 PolarHBondContact O-N 3.02Å; G116-I118 PolarHBondContact O-N 3.39Å; G116-I118 VanDerWaalsContact O-N 3.13Å; I118-L122 HydrophobicContact CG2-CD1 3.73Å; I118-L122 HydrophobicContact CG2-CG 4.25Å; I118-L122 VanDerWaalsContact O-CB 3.29Å; I118-L122 WeakPolarHBondContact O-CB 3.43Å; I118-L122 WeakPolarHBondContact O-CD1 3.48Å; I118-L122 WeakPolarHBondContact O-CG 3.41Å; I118-L122 PolarHBondContact O-N 3.47Å |
| 119 | A | 86.3 | Confident | 85.9 | Confident | 47 Ų | 47 | 48.6 Ų | 48.6 | 39% | 0.388 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.7 | -45.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | G116 V117 L122 R123 | G116-A119 WeakPolarHBondContact O-CB 3.49Å; G116-A119 PolarHBondContact O-N 3.01Å; V117-A119 VanDerWaalsContact C-N 3.29Å; V117-A119 PolarHBondContact O-N 3.28Å; A119-L122 PolarHBondContact O-N 3.44Å; A119-R123 WeakPolarHBondContact O-CB 3.44Å; A119-R123 PolarHBondContact O-N 3.43Å |
| 120 | E | 83.3 | Confident | 86.1 | Confident | 66 Ų | 66 | 48.8 Ų | 48.8 | 31% | 0.308 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.5 | -34.9 | 176.8 | -69.4 | -52.9 | 137.9 | 0 | 0 | 112.2 | V117 R123 G124 | V117-E120 PolarHBondContact O-N 3.4Å; E120-R123 WeakPolarHBondContact O-CB 3.23Å; E120-R123 PolarHBondContact O-N 3.01Å; E120-R123 IonicContact OE1-NH1 3.34Å; E120-R123 PolarHBondContact OE1-NH1 3.49Å; E120-R123 WeakPolarHBondContact OE2-CD 3.45Å; E120-R123 IonicContact OE2-CZ 3.79Å; E120-R123 IonicContact OE2-NE 3.9Å; E120-R123 IonicContact OE2-NH1 2.91Å; E120-R123 PolarHBondContact OE2-NH1 3.48Å; E120-G124 PolarHBondContact O-N 3.44Å |
| 121 | I | 86.3 | Confident | 86.3 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.4 | -45.5 | 173.5 | -69.8 | 176.8 | 0 | 0 | 0 | 111.1 | V6 L19 V46 V117 R123 G124 V125 | V6-I121 HydrophobicContact CG2-CG2 4.25Å; L19-I121 HydrophobicContact CD1-CD1 3.39Å; L19-I121 HydrophobicContact CD1-CG2 4.21Å; L19-I121 HydrophobicContact CD2-CD1 3.99Å; L19-I121 HydrophobicContact CD2-CG2 3.77Å; L19-I121 HydrophobicContact CG-CD1 4.33Å; V46-I121 HydrophobicContact CG2-CG2 4.37Å; V117-I121 HydrophobicContact CG1-CD1 3.61Å; V117-I121 HydrophobicContact CG1-CG1 4.39Å; V117-I121 WeakPolarHBondContact O-CG1 3.5Å; V117-I121 PolarHBondContact O-N 2.71Å; V117-I121 VanDerWaalsContact O-N 3.08Å; I121-R123 VanDerWaalsContact C-N 3.26Å; I121-R123 PolarHBondContact O-N 2.83Å; I121-G124 PolarHBondContact O-N 3.23Å; I121-G124 VanDerWaalsContact O-N 3.16Å; I121-V125 WeakPolarHBondContact O-CG2 3.31Å; I121-V125 PolarHBondContact O-N 3.3Å |
| 122 | L | 89.4 | Confident | 86.2 | Confident | 18 Ų | 18 | 48.5 Ų | 48.5 | 9% | 0.094 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.8 | -34.1 | 174.7 | -76.3 | 168.1 | 0 | 0 | 0 | 112.3 | V6 L7 F8 G96 I118 A119 V125 R126 | V6-L122 HydrophobicContact CG1-CD2 3.39Å; V6-L122 HydrophobicContact CG1-CG 3.82Å; L7-L122 WeakPolarHBondContact O-CD2 3.3Å; F8-L122 HydrophobicContact CB-CD2 4.27Å; F8-L122 HydrophobicContact CD2-CD2 3.83Å; G96-L122 VanDerWaalsContact CA-CD1 3.49Å; I118-L122 HydrophobicContact CG2-CD1 3.73Å; I118-L122 HydrophobicContact CG2-CG 4.25Å; I118-L122 VanDerWaalsContact O-CB 3.29Å; I118-L122 WeakPolarHBondContact O-CB 3.43Å; I118-L122 WeakPolarHBondContact O-CD1 3.48Å; I118-L122 WeakPolarHBondContact O-CG 3.41Å; I118-L122 PolarHBondContact O-N 3.47Å; A119-L122 PolarHBondContact O-N 3.44Å; L122-V125 PolarHBondContact O-N 2.89Å; L122-R126 WeakPolarHBondContact O-CB 3.34Å; L122-R126 PolarHBondContact O-N 2.78Å |
| 123 | R | 87.6 | Confident | 86.2 | Confident | 159 Ų | 159 | 47.8 Ų | 47.8 | 60% | 0.6 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -64.7 | -44.3 | 172.5 | -174.7 | -170.5 | -175.3 | -179.5 | -1.3 | 111.5 | A119 E120 I121 R126 L127 | A119-R123 WeakPolarHBondContact O-CB 3.44Å; A119-R123 PolarHBondContact O-N 3.43Å; E120-R123 WeakPolarHBondContact O-CB 3.23Å; E120-R123 PolarHBondContact O-N 3.01Å; E120-R123 IonicContact OE1-NH1 3.34Å; E120-R123 PolarHBondContact OE1-NH1 3.49Å; E120-R123 WeakPolarHBondContact OE2-CD 3.45Å; E120-R123 IonicContact OE2-CZ 3.79Å; E120-R123 IonicContact OE2-NE 3.9Å; E120-R123 IonicContact OE2-NH1 2.91Å; E120-R123 PolarHBondContact OE2-NH1 3.48Å; I121-R123 VanDerWaalsContact C-N 3.26Å; I121-R123 PolarHBondContact O-N 2.83Å; R123-R126 WeakPolarHBondContact O-CB 3.29Å; R123-R126 PolarHBondContact O-N 3.45Å; R123-L127 PolarHBondContact O-N 3.15Å; R123-L127 VanDerWaalsContact O-N 3.07Å |
| 124 | G | 88.4 | Confident | 85.9 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E120 I121 R126 L127 H128 | E120-G124 PolarHBondContact O-N 3.44Å; I121-G124 PolarHBondContact O-N 3.23Å; I121-G124 VanDerWaalsContact O-N 3.16Å; G124-R126 VanDerWaalsContact C-N 3.31Å; G124-R126 PolarHBondContact O-N 3.04Å; G124-L127 PolarHBondContact O-N 3.2Å; G124-H128 PolarHBondContact O-CD2 3.04Å; G124-H128 PolarHBondContact O-N 3.19Å; G124-H128 VanDerWaalsContact O-N 3.1Å |
| 125 | V | 89.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 175.1 | 174.2 | 0 | 0 | 0 | 0 | 109.9 | F8 L17 F42 V46 I121 L122 L127 H128 F129 L132 | F8-V125 HydrophobicContact CB-CG1 3.94Å; F8-V125 HydrophobicContact CD1-CG1 3.8Å; F8-V125 HydrophobicContact CD2-CB 4.17Å; F8-V125 HydrophobicContact CD2-CG1 3.65Å; F8-V125 HydrophobicContact CE1-CG1 4.18Å; F8-V125 HydrophobicContact CE2-CB 4.46Å; F8-V125 HydrophobicContact CE2-CG1 4.06Å; F8-V125 HydrophobicContact CG-CB 4.47Å; F8-V125 HydrophobicContact CG-CG1 3.51Å; F8-V125 HydrophobicContact CZ-CG1 4.3Å; L17-V125 HydrophobicContact CD1-CG1 4.09Å; L17-V125 HydrophobicContact CD1-CG2 4.3Å; L17-V125 HydrophobicContact CD2-CG1 4.37Å; L17-V125 HydrophobicContact CD2-CG2 4.22Å; F42-V125 HydrophobicContact CE1-CG2 4.07Å; F42-V125 HydrophobicContact CZ-CB 4.49Å; F42-V125 HydrophobicContact CZ-CG2 3.82Å; V46-V125 HydrophobicContact CG1-CG2 4.32Å; I121-V125 WeakPolarHBondContact O-CG2 3.31Å; I121-V125 PolarHBondContact O-N 3.3Å; L122-V125 PolarHBondContact O-N 2.89Å; V125-L127 VanDerWaalsContact C-N 3.35Å; V125-L127 PolarHBondContact O-N 2.96Å; V125-H128 PolarHBondContact O-N 2.89Å; V125-F129 HydrophobicContact CG1-CD2 4.06Å; V125-F129 VanDerWaalsContact O-CA 3.26Å; V125-F129 WeakPolarHBondContact O-CA 3.45Å; V125-F129 VanDerWaalsContact O-CB 3.25Å; V125-F129 WeakPolarHBondContact O-CB 3.39Å; V125-F129 PolarHBondContact O-N 2.91Å; V125-L132 HydrophobicContact CG1-CD1 4.09Å |
| 126 | R | 89.7 | Confident | 85.7 | Confident | 188 Ų | 188 | 55.3 Ų | 55.3 | 71% | 0.709 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.8 | -40.4 | 177.9 | -171.1 | 178.8 | -64.5 | -174.5 | -0.3 | 112.9 | F8 L122 R123 G124 | F8-R126 HydrophobicContact CE2-CB 3.93Å; F8-R126 HydrophobicContact CZ-CB 4.04Å; F8-R126 HydrophobicContact CZ-CG 4.31Å; L122-R126 WeakPolarHBondContact O-CB 3.34Å; L122-R126 PolarHBondContact O-N 2.78Å; R123-R126 WeakPolarHBondContact O-CB 3.29Å; R123-R126 PolarHBondContact O-N 3.45Å; G124-R126 VanDerWaalsContact C-N 3.31Å; G124-R126 PolarHBondContact O-N 3.04Å |
| 127 | L | 89.4 | Confident | 86 | Confident | 89 Ų | 89 | 56 Ų | 56 | 47% | 0.466 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 178.5 | -179.9 | 61.6 | 0 | 0 | 0 | 112 | L37 R123 G124 V125 | L37-L127 HydrophobicContact CD2-CD2 3.95Å; R123-L127 PolarHBondContact O-N 3.15Å; R123-L127 VanDerWaalsContact O-N 3.07Å; G124-L127 PolarHBondContact O-N 3.2Å; V125-L127 VanDerWaalsContact C-N 3.35Å; V125-L127 PolarHBondContact O-N 2.96Å |
| 128 | H | 88.6 | Confident | 86.2 | Confident | 15 Ų | 15 | 58.8 Ų | 58.8 | 7% | 0.069 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -100.1 | 7 | -173.1 | -63 | -61.3 | 0 | 0 | 0 | 114.5 | V36 L37 L39 F42 G124 V125 H130 N131 L132 | V36-H128 PolarHBondContact O-CD2 3.05Å; V36-H128 PolarHBondContact O-NE2 3.28Å; L37-H128 PolarHBondContact O-CE1 3.06Å; L37-H128 VanDerWaalsContact O-CE1 3.23Å; L37-H128 PolarHBondContact O-NE2 3.05Å; L39-H128 HydrophobicContact CD1-CB 3.84Å; F42-H128 HydrophobicContact CD1-CB 4.23Å; F42-H128 AromaticContact CD1-CD2 3.68Å; F42-H128 AromaticContact CG-CD2 3.87Å; G124-H128 PolarHBondContact O-CD2 3.04Å; G124-H128 PolarHBondContact O-N 3.19Å; G124-H128 VanDerWaalsContact O-N 3.1Å; V125-H128 PolarHBondContact O-N 2.89Å; H128-H130 VanDerWaalsContact C-N 3.3Å; H128-H130 PolarHBondContact O-N 3.46Å; H128-H130 VanDerWaalsContact O-N 3.17Å; H128-N131 PolarHBondContact O-N 3.38Å; H128-L132 PolarHBondContact O-N 2.86Å |
| 129 | F | 87.6 | Confident | 86.4 | Confident | 6 Ų | 6 | 65 Ų | 65 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -55.6 | -41.2 | -167.1 | -170.7 | -110.7 | 0 | 0 | 0 | 113.8 | F8 H10 A15 F51 V125 N131 L132 V133 L136 | F8-F129 AromaticContact CD1-CD2 3.53Å; F8-F129 HydrophobicContact CD1-CD2 3.53Å; F8-F129 AromaticContact CD1-CE2 3.44Å; F8-F129 HydrophobicContact CD1-CE2 3.44Å; F8-F129 VanDerWaalsContact CD1-CE2 3.44Å; F8-F129 HydrophobicContact CD1-CG 4.3Å; F8-F129 HydrophobicContact CD1-CZ 4.15Å; F8-F129 HydrophobicContact CE1-CB 4.27Å; F8-F129 HydrophobicContact CE1-CD1 4.19Å; F8-F129 AromaticContact CE1-CD2 3.35Å; F8-F129 HydrophobicContact CE1-CD2 3.35Å; F8-F129 HydrophobicContact CE1-CE1 4.43Å; F8-F129 AromaticContact CE1-CE2 3.64Å; F8-F129 HydrophobicContact CE1-CE2 3.64Å; F8-F129 AromaticContact CE1-CG 3.66Å; F8-F129 HydrophobicContact CE1-CG 3.66Å; F8-F129 HydrophobicContact CE1-CZ 4.17Å; F8-F129 HydrophobicContact CZ-CD2 4.36Å; F8-F129 HydrophobicContact CZ-CG 4.47Å; H10-F129 HydrophobicContact CB-CD1 4.35Å; H10-F129 HydrophobicContact CB-CE1 3.68Å; H10-F129 HydrophobicContact CB-CZ 3.81Å; H10-F129 AromaticContact CD2-CD1 3.79Å; H10-F129 AromaticContact CD2-CE1 3.92Å; H10-F129 AromaticContact CE1-CE1 3.96Å; H10-F129 AromaticContact CG-CD1 3.72Å; H10-F129 AromaticContact CG-CE1 3.34Å; H10-F129 AromaticContact ND1-CD1 3.86Å; H10-F129 AromaticContact ND1-CE1 3.38Å; H10-F129 WeakPolarHBondContact ND1-CE1 3.49Å; A15-F129 HydrophobicContact CB-CE2 3.83Å; A15-F129 HydrophobicContact CB-CZ 4.33Å; F51-F129 HydrophobicContact CD2-CZ 4.45Å; F51-F129 AromaticContact CE2-CZ 3.99Å; F51-F129 HydrophobicContact CE2-CZ 3.99Å; V125-F129 HydrophobicContact CG1-CD2 4.06Å; V125-F129 VanDerWaalsContact O-CA 3.26Å; V125-F129 WeakPolarHBondContact O-CA 3.45Å; V125-F129 VanDerWaalsContact O-CB 3.25Å; V125-F129 WeakPolarHBondContact O-CB 3.39Å; V125-F129 PolarHBondContact O-N 2.91Å; F129-N131 PolarHBondContact O-N 3.23Å; F129-L132 PolarHBondContact O-N 2.76Å; F129-L132 VanDerWaalsContact O-N 3.15Å; F129-V133 HydrophobicContact CE1-CG2 4.2Å; F129-V133 HydrophobicContact CE2-CG2 3.86Å; F129-V133 HydrophobicContact CZ-CG2 3.69Å; F129-V133 PolarHBondContact O-N 2.95Å; F129-L136 HydrophobicContact CD1-CD2 3.58Å; F129-L136 HydrophobicContact CE1-CD2 3.45Å; F129-L136 VanDerWaalsContact CE1-CD2 3.45Å |
| 130 | H | 87.4 | Confident | 86.6 | Confident | 48 Ų | 48 | 64.9 Ų | 64.9 | 22% | 0.222 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.8 | -28.7 | 178.1 | 57.8 | -103.1 | 0 | 0 | 0 | 112.8 | H128 L136 D138 | H128-H130 VanDerWaalsContact C-N 3.3Å; H128-H130 PolarHBondContact O-N 3.46Å; H128-H130 VanDerWaalsContact O-N 3.17Å; H130-L136 VanDerWaalsContact O-O 3.1Å; H130-D138 HydrophobicContact CB-CB 4.23Å; H130-D138 IonicContact CE1-OD1 3.81Å; H130-D138 IonicContact CG-OD1 2.67Å; H130-D138 IonicContact ND1-OD1 3.12Å; H130-D138 PolarHBondContact ND1-OD1 3.39Å; H130-D138 VanDerWaalsContact ND1-OD1 3.12Å |
| 131 | N | 86.4 | Confident | 86.8 | Confident | 90 Ų | 90 | 62 Ų | 62 | 48% | 0.481 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -86.6 | -21.8 | 176.5 | -64.9 | -44.2 | 0 | 0 | 0 | 113.3 | L39 H128 F129 | L39-N131 HydrophobicContact CD1-CB 3.75Å; L39-N131 HydrophobicContact CD2-CB 3.97Å; H128-N131 PolarHBondContact O-N 3.38Å; F129-N131 PolarHBondContact O-N 3.23Å |
| 132 | L | 84.8 | Confident | 87 | Confident | 17 Ų | 17 | 64.5 Ų | 64.5 | 9% | 0.089 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -77.1 | -33.8 | -179.6 | -66.9 | 172.6 | 0 | 0 | 0 | 112.5 | L17 F42 L48 V125 H128 F129 | L17-L132 HydrophobicContact CD2-CD1 4.04Å; F42-L132 HydrophobicContact CE1-CD1 4.28Å; L48-L132 WeakPolarHBondContact CD2-O 3.48Å; V125-L132 HydrophobicContact CG1-CD1 4.09Å; H128-L132 PolarHBondContact O-N 2.86Å; F129-L132 PolarHBondContact O-N 2.76Å; F129-L132 VanDerWaalsContact O-N 3.15Å |
| 133 | V | 84.2 | Confident | 87.2 | Confident | 10 Ų | 10 | 71.2 Ų | 71.2 | 6% | 0.061 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -98.4 | 112.4 | -178.7 | -178.6 | 0 | 0 | 0 | 0 | 110.2 | L48 F51 F129 G135 L136 | L48-V133 HydrophobicContact CD2-CG2 4.27Å; F51-V133 HydrophobicContact CD1-CG1 3.64Å; F51-V133 HydrophobicContact CD2-CG2 4.22Å; F51-V133 HydrophobicContact CE1-CG1 3.68Å; F51-V133 HydrophobicContact CE2-CG2 4.43Å; F51-V133 HydrophobicContact CG-CG1 4.14Å; F51-V133 HydrophobicContact CG-CG2 4.29Å; F51-V133 HydrophobicContact CZ-CG1 4.23Å; F129-V133 HydrophobicContact CE1-CG2 4.2Å; F129-V133 HydrophobicContact CE2-CG2 3.86Å; F129-V133 HydrophobicContact CZ-CG2 3.69Å; F129-V133 PolarHBondContact O-N 2.95Å; V133-G135 PolarHBondContact O-N 3.43Å; V133-L136 HydrophobicContact CB-CB 3.99Å; V133-L136 HydrophobicContact CB-CD2 4.28Å; V133-L136 HydrophobicContact CG1-CB 4.13Å; V133-L136 PolarHBondContact O-N 3.07Å; V133-L136 VanDerWaalsContact O-N 3.09Å |
| 134 | K | 80.9 | Confident | 87.4 | Confident | 209 Ų | 209 | 65.1 Ų | 65.1 | 91% | 0.909 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 122.4 | 178.2 | -65.5 | -174.8 | 179.7 | -176.4 | 0 | 111.1 | ||
| 135 | G | 78.7 | Confident | 87.6 | Confident | 81 Ų | 81 | 69.7 Ų | 69.7 | 84% | 0.835 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | -3.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | V133 | V133-G135 PolarHBondContact O-N 3.43Š|
| 136 | L | 82.6 | Confident | 87.8 | Confident | 24 Ų | 24 | 74.7 Ų | 74.7 | 13% | 0.126 | 40% | 0.395 | C | S | . | . | trans | -81.2 | 135.2 | 166.7 | -169.6 | 62.5 | 0 | 0 | 0 | 108.9 | V12 F129 H130 V133 A141 | V12-L136 HydrophobicContact CG2-CD1 4.15Å; F129-L136 HydrophobicContact CD1-CD2 3.58Å; F129-L136 HydrophobicContact CE1-CD2 3.45Å; F129-L136 VanDerWaalsContact CE1-CD2 3.45Å; H130-L136 VanDerWaalsContact O-O 3.1Å; V133-L136 HydrophobicContact CB-CB 3.99Å; V133-L136 HydrophobicContact CB-CD2 4.28Å; V133-L136 HydrophobicContact CG1-CB 4.13Å; V133-L136 PolarHBondContact O-N 3.07Å; V133-L136 VanDerWaalsContact O-N 3.09Å; L136-A141 HydrophobicContact CD1-CB 4.15Å; L136-A141 HydrophobicContact CD2-CB 4.25Å; L136-A141 HydrophobicContact CG-CB 4.22Å | ||
| 137 | T | 87.2 | Confident | 88 | Confident | 77 Ų | 77 | 67.4 Ų | 67.4 | 47% | 0.472 | 38% | 0.378 | S | S | . | . | trans | -112 | 154.3 | 170.4 | 64.3 | 0 | 0 | 0 | 0 | 108.4 | L139 S140 A141 | T137-L139 PolarHBondContact O-N 3.24Å; T137-S140 PolarHBondContact N-OG 2.92Å; T137-S140 PolarHBondContact O-N 2.82Å; T137-S140 VanDerWaalsContact O-N 3.08Å; T137-S140 PolarHBondContact O-OG 2.96Å; T137-S140 VanDerWaalsContact O-OG 3.08Å; T137-S140 WeakPolarHBondContact OG1-CB 3.24Å; T137-S140 PolarHBondContact OG1-N 2.78Å; T137-S140 PolarHBondContact OG1-OG 3.23Å; T137-A141 WeakPolarHBondContact O-CB 3.36Å; T137-A141 PolarHBondContact O-N 2.9Å | ||
| 138 | D | 86.5 | Confident | 88.2 | Confident | 86 Ų | 86 | 64.5 Ų | 64.5 | 46% | 0.46 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.2 | -38.7 | 178.3 | -166 | 55.1 | 0 | 0 | 0 | 111.4 | H130 S140 A141 C142 | H130-D138 HydrophobicContact CB-CB 4.23Å; H130-D138 IonicContact CE1-OD1 3.81Å; H130-D138 IonicContact CG-OD1 2.67Å; H130-D138 IonicContact ND1-OD1 3.12Å; H130-D138 PolarHBondContact ND1-OD1 3.39Å; H130-D138 VanDerWaalsContact ND1-OD1 3.12Å; D138-S140 PolarHBondContact O-N 3.5Å; D138-A141 PolarHBondContact O-N 3.32Å; D138-C142 WeakPolarHBondContact O-CB 3.44Å; D138-C142 PolarHBondContact O-N 3.37Å; D138-C142 PolarHBondContact O-SG 3.44Å |
| 139 | L | 89.8 | Confident | 88.5 | Confident | 130 Ų | 130 | 65.3 Ų | 65.3 | 68% | 0.681 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.7 | -40.1 | 173.5 | -64.9 | 176.2 | 0 | 0 | 0 | 113.4 | T137 K143 | T137-L139 PolarHBondContact O-N 3.24Å; L139-K143 WeakPolarHBondContact O-CB 3.37Å; L139-K143 VanDerWaalsContact O-CG 3.28Å; L139-K143 WeakPolarHBondContact O-CG 3.3Å; L139-K143 PolarHBondContact O-N 3.27Å |
| 140 | S | 89.5 | Confident | 88.7 | Confident | 46 Ų | 46 | 69.5 Ų | 69.5 | 32% | 0.322 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -76.4 | -34.6 | 178.5 | 64.5 | 0 | 0 | 0 | 0 | 112.1 | T137 D138 K143 A144 | T137-S140 PolarHBondContact N-OG 2.92Å; T137-S140 PolarHBondContact O-N 2.82Å; T137-S140 VanDerWaalsContact O-N 3.08Å; T137-S140 PolarHBondContact O-OG 2.96Å; T137-S140 VanDerWaalsContact O-OG 3.08Å; T137-S140 WeakPolarHBondContact OG1-CB 3.24Å; T137-S140 PolarHBondContact OG1-N 2.78Å; T137-S140 PolarHBondContact OG1-OG 3.23Å; D138-S140 PolarHBondContact O-N 3.5Å; S140-K143 PolarHBondContact O-N 2.95Å; S140-A144 WeakPolarHBondContact O-CB 3.4Å; S140-A144 PolarHBondContact O-N 2.7Å |
| 141 | A | 88.3 | Confident | 88.9 | Confident | 4 Ų | 4 | 69.1 Ų | 69.1 | 3% | 0.033 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.4 | -49.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L136 T137 D138 K143 A144 Q145 | L136-A141 HydrophobicContact CD1-CB 4.15Å; L136-A141 HydrophobicContact CD2-CB 4.25Å; L136-A141 HydrophobicContact CG-CB 4.22Å; T137-A141 WeakPolarHBondContact O-CB 3.36Å; T137-A141 PolarHBondContact O-N 2.9Å; D138-A141 PolarHBondContact O-N 3.32Å; A141-K143 PolarHBondContact O-N 3.29Å; A141-A144 PolarHBondContact O-N 3.13Å; A141-Q145 WeakPolarHBondContact O-CG 3.29Å; A141-Q145 PolarHBondContact O-N 3.04Å |
| 142 | C | 91.2 | Very high | 89.3 | Confident | 57 Ų | 57 | 68 Ų | 68 | 39% | 0.385 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 176.4 | -68.4 | 0 | 0 | 0 | 0 | 112.5 | D138 A144 Q145 L146 | D138-C142 WeakPolarHBondContact O-CB 3.44Å; D138-C142 PolarHBondContact O-N 3.37Å; D138-C142 PolarHBondContact O-SG 3.44Å; C142-A144 VanDerWaalsContact C-N 3.35Å; C142-A144 PolarHBondContact O-N 3.4Å; C142-Q145 PolarHBondContact O-N 3.1Å; C142-L146 WeakPolarHBondContact O-CB 3.34Å; C142-L146 PolarHBondContact O-N 3.06Å |
| 143 | K | 92.6 | Very high | 89.7 | Confident | 158 Ų | 158 | 70.5 Ų | 70.5 | 69% | 0.687 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.4 | -41.3 | 175.7 | -77.2 | 173.9 | -178.9 | 179.5 | 0 | 111.7 | L139 S140 A141 L146 G147 | L139-K143 WeakPolarHBondContact O-CB 3.37Å; L139-K143 VanDerWaalsContact O-CG 3.28Å; L139-K143 WeakPolarHBondContact O-CG 3.3Å; L139-K143 PolarHBondContact O-N 3.27Å; S140-K143 PolarHBondContact O-N 2.95Å; A141-K143 PolarHBondContact O-N 3.29Å; K143-L146 PolarHBondContact O-N 3.41Å; K143-G147 PolarHBondContact O-N 2.95Å |
| 144 | A | 91.4 | Very high | 90 | Very high | 32 Ų | 32 | 77.1 Ų | 77.1 | 26% | 0.264 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66 | -44.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V12 S140 A141 C142 L146 G147 L148 | V12-A144 HydrophobicContact CG2-CB 3.62Å; S140-A144 WeakPolarHBondContact O-CB 3.4Å; S140-A144 PolarHBondContact O-N 2.7Å; A141-A144 PolarHBondContact O-N 3.13Å; C142-A144 VanDerWaalsContact C-N 3.35Å; C142-A144 PolarHBondContact O-N 3.4Å; A144-L146 PolarHBondContact O-N 2.93Å; A144-G147 PolarHBondContact O-N 2.9Å; A144-L148 WeakPolarHBondContact O-CB 3.44Å; A144-L148 PolarHBondContact O-N 2.74Å |
| 145 | Q | 93.1 | Very high | 90.3 | Very high | 96 Ų | 96 | 69.3 Ų | 69.3 | 45% | 0.449 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 174.7 | -71.2 | 173.1 | 7.6 | 0 | 0 | 112 | H10 A11 A141 C142 L148 G149 | H10-Q145 PolarHBondContact NE2-NE2 3.45Å; A11-Q145 HydrophobicContact CB-CB 4.29Å; A11-Q145 HydrophobicContact CB-CG 3.73Å; A141-Q145 WeakPolarHBondContact O-CG 3.29Å; A141-Q145 PolarHBondContact O-N 3.04Å; C142-Q145 PolarHBondContact O-N 3.1Å; Q145-L148 PolarHBondContact O-N 2.95Å; Q145-G149 PolarHBondContact O-N 3.11Å |
| 146 | L | 94 | Very high | 90.9 | Very high | 106 Ų | 106 | 70 Ų | 70 | 56% | 0.555 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.3 | -44.5 | 176.6 | -178.1 | 65.5 | 0 | 0 | 0 | 112 | C142 K143 A144 H150 | C142-L146 WeakPolarHBondContact O-CB 3.34Å; C142-L146 PolarHBondContact O-N 3.06Å; K143-L146 PolarHBondContact O-N 3.41Å; A144-L146 PolarHBondContact O-N 2.93Å; L146-H150 VanDerWaalsContact CD1-CE1 3.5Å; L146-H150 WeakPolarHBondContact CD1-CE1 3.22Å; L146-H150 WeakPolarHBondContact O-CB 3.32Å; L146-H150 PolarHBondContact O-N 2.92Å; L146-H150 PolarHBondContact O-ND1 3.09Å |
| 147 | G | 93.1 | Very high | 91.1 | Very high | 34 Ų | 34 | 74.2 Ų | 74.2 | 35% | 0.351 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K143 A144 S151 | K143-G147 PolarHBondContact O-N 2.95Å; A144-G147 PolarHBondContact O-N 2.9Å; G147-S151 WeakPolarHBondContact O-CB 3.39Å; G147-S151 PolarHBondContact O-N 2.95Å; G147-S151 VanDerWaalsContact O-N 3.11Å; G147-S151 PolarHBondContact O-OG 2.95Å |
| 148 | L | 94.2 | Very high | 91 | Very high | 28 Ų | 28 | 79.2 Ų | 79.2 | 15% | 0.147 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.7 | -45.8 | 177.4 | -176.8 | 59.3 | 0 | 0 | 0 | 111.4 | A11 A60 L61 A64 A144 Q145 H150 S151 Y152 | A11-L148 HydrophobicContact CB-CB 4.29Å; A11-L148 HydrophobicContact CB-CD2 3.67Å; A60-L148 HydrophobicContact CB-CD1 4.12Å; L61-L148 HydrophobicContact CB-CD1 4.37Å; A64-L148 HydrophobicContact CB-CD1 4.08Å; A64-L148 HydrophobicContact CB-CD2 4.23Å; A64-L148 HydrophobicContact CB-CG 4.44Å; A144-L148 WeakPolarHBondContact O-CB 3.44Å; A144-L148 PolarHBondContact O-N 2.74Å; Q145-L148 PolarHBondContact O-N 2.95Å; L148-H150 PolarHBondContact O-N 3.23Å; L148-S151 PolarHBondContact O-N 2.93Å; L148-Y152 WeakPolarHBondContact O-CB 3.48Å; L148-Y152 PolarHBondContact O-N 3.07Å |
| 149 | G | 94.5 | Very high | 90.5 | Very high | 33 Ų | 33 | 80.9 Ų | 80.9 | 34% | 0.34 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.2 | -46.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q145 S151 S153 | Q145-G149 PolarHBondContact O-N 3.11Å; G149-S151 VanDerWaalsContact C-N 3.33Å; G149-S151 PolarHBondContact O-N 2.81Å; G149-S153 WeakPolarHBondContact O-CB 3.43Å; G149-S153 PolarHBondContact O-N 3.1Å; G149-S153 PolarHBondContact O-OG 3.44Å |
| 150 | H | 93.2 | Very high | 89.6 | Confident | 94 Ų | 94 | 78.1 Ų | 78.1 | 44% | 0.435 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.5 | -41.4 | 172.6 | -76.2 | 157.1 | 0 | 0 | 0 | 112.9 | L146 L148 R154 | L146-H150 VanDerWaalsContact CD1-CE1 3.5Å; L146-H150 WeakPolarHBondContact CD1-CE1 3.22Å; L146-H150 WeakPolarHBondContact O-CB 3.32Å; L146-H150 PolarHBondContact O-N 2.92Å; L146-H150 PolarHBondContact O-ND1 3.09Å; L148-H150 PolarHBondContact O-N 3.23Å; H150-R154 VanDerWaalsContact O-CB 3.31Å; H150-R154 WeakPolarHBondContact O-CB 3.31Å; H150-R154 WeakPolarHBondContact O-CD 3.42Å; H150-R154 WeakPolarHBondContact O-CG 3.37Å; H150-R154 PolarHBondContact O-N 3.42Å |
| 151 | S | 91.8 | Very high | 88.7 | Confident | 39 Ų | 39 | 81.1 Ų | 81.1 | 27% | 0.273 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.2 | -45.2 | -177.9 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | G147 L148 G149 R154 A155 | G147-S151 WeakPolarHBondContact O-CB 3.39Å; G147-S151 PolarHBondContact O-N 2.95Å; G147-S151 VanDerWaalsContact O-N 3.11Å; G147-S151 PolarHBondContact O-OG 2.95Å; L148-S151 PolarHBondContact O-N 2.93Å; G149-S151 VanDerWaalsContact C-N 3.33Å; G149-S151 PolarHBondContact O-N 2.81Å; S151-R154 PolarHBondContact O-N 3.01Å; S151-A155 WeakPolarHBondContact O-CB 3.42Å; S151-A155 PolarHBondContact O-N 3.44Å |
| 152 | Y | 94 | Very high | 87.6 | Confident | 68 Ų | 68 | 85.8 Ų | 85.8 | 27% | 0.267 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.3 | -49.3 | 175.8 | 179.2 | -98.7 | 0 | 0 | 0 | 112 | L61 N65 S68 L148 R154 A155 K156 | L61-Y152 HydrophobicContact CD1-CD2 4.38Å; N65-Y152 WeakPolarHBondContact OD1-CD2 3.49Å; N65-Y152 WeakPolarHBondContact OD1-CE2 3.26Å; S68-Y152 PolarHBondContact OG-OH 3.03Å; L148-Y152 WeakPolarHBondContact O-CB 3.48Å; L148-Y152 PolarHBondContact O-N 3.07Å; Y152-R154 PolarHBondContact O-N 3.02Å; Y152-A155 PolarHBondContact O-N 2.99Å; Y152-K156 HydrophobicContact CD1-CG 4.48Å; Y152-K156 HydrophobicContact CE1-CG 4.12Å; Y152-K156 HydrophobicContact CE2-CD 4.47Å; Y152-K156 HydrophobicContact CE2-CG 4.13Å; Y152-K156 PolarHBondContact O-N 3.49Å; Y152-K156 VanDerWaalsContact OH-CE 3.29Å; Y152-K156 WeakPolarHBondContact OH-CE 3.13Å |
| 153 | S | 92.7 | Very high | 86.6 | Confident | 69 Ų | 69 | 86.6 Ų | 86.6 | 48% | 0.483 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 176.8 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | G149 A155 V157 | G149-S153 WeakPolarHBondContact O-CB 3.43Å; G149-S153 PolarHBondContact O-N 3.1Å; G149-S153 PolarHBondContact O-OG 3.44Å; S153-A155 VanDerWaalsContact C-N 3.35Å; S153-A155 PolarHBondContact O-N 2.91Å; S153-V157 VanDerWaalsContact O-CB 3.31Å; S153-V157 WeakPolarHBondContact O-CB 3.39Å; S153-V157 VanDerWaalsContact O-CG2 3.26Å; S153-V157 WeakPolarHBondContact O-CG2 3.5Å; S153-V157 PolarHBondContact O-N 3.31Å |
| 154 | R | 90.1 | Very high | 85.8 | Confident | 149 Ų | 149 | 80.7 Ų | 80.7 | 56% | 0.562 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.9 | -39 | 176.5 | -74.7 | 169.1 | -172.7 | -177.8 | 3.8 | 112.3 | H150 S151 Y152 K158 F159 | H150-R154 VanDerWaalsContact O-CB 3.31Å; H150-R154 WeakPolarHBondContact O-CB 3.31Å; H150-R154 WeakPolarHBondContact O-CD 3.42Å; H150-R154 WeakPolarHBondContact O-CG 3.37Å; H150-R154 PolarHBondContact O-N 3.42Å; S151-R154 PolarHBondContact O-N 3.01Å; Y152-R154 PolarHBondContact O-N 3.02Å; R154-K158 PolarHBondContact O-N 3.4Å; R154-K158 VanDerWaalsContact O-N 3.14Å; R154-F159 HydrophobicContact CB-CB 4.22Å; R154-F159 HydrophobicContact CG-CB 4.27Å; R154-F159 PolarHBondContact O-N 3.38Å |
| 155 | A | 88.7 | Confident | 85.7 | Confident | 44 Ų | 44 | 80.6 Ų | 80.6 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.5 | -52.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L61 S151 Y152 S153 V157 K158 | L61-A155 HydrophobicContact CD1-CB 4.38Å; L61-A155 HydrophobicContact CD2-CB 4.37Å; S151-A155 WeakPolarHBondContact O-CB 3.42Å; S151-A155 PolarHBondContact O-N 3.44Å; Y152-A155 PolarHBondContact O-N 2.99Å; S153-A155 VanDerWaalsContact C-N 3.35Å; S153-A155 PolarHBondContact O-N 2.91Å; A155-V157 VanDerWaalsContact C-N 3.34Å; A155-V157 PolarHBondContact O-N 3.26Å; A155-K158 PolarHBondContact O-N 2.95Å |
| 156 | K | 89.7 | Confident | 85.5 | Confident | 97 Ų | 97 | 79.6 Ų | 79.6 | 42% | 0.422 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.4 | -37.7 | 179.4 | -70.7 | -79.4 | 177.7 | 178.5 | 0 | 112.6 | E69 Y152 K158 | E69-K156 IonicContact OE1-NZ 3.1Å; E69-K156 PolarHBondContact OE1-NZ 2.92Å; Y152-K156 HydrophobicContact CD1-CG 4.48Å; Y152-K156 HydrophobicContact CE1-CG 4.12Å; Y152-K156 HydrophobicContact CE2-CD 4.47Å; Y152-K156 HydrophobicContact CE2-CG 4.13Å; Y152-K156 PolarHBondContact O-N 3.49Å; Y152-K156 VanDerWaalsContact OH-CE 3.29Å; Y152-K156 WeakPolarHBondContact OH-CE 3.13Å; K156-K158 VanDerWaalsContact C-N 3.28Å; K156-K158 PolarHBondContact O-N 3Å |
| 157 | V | 88.1 | Confident | 85.4 | Confident | 111 Ų | 111 | 78.5 Ų | 78.5 | 67% | 0.673 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -6.5 | 176.7 | 177.5 | 0 | 0 | 0 | 0 | 112.8 | S153 A155 F159 | S153-V157 VanDerWaalsContact O-CB 3.31Å; S153-V157 WeakPolarHBondContact O-CB 3.39Å; S153-V157 VanDerWaalsContact O-CG2 3.26Å; S153-V157 WeakPolarHBondContact O-CG2 3.5Å; S153-V157 PolarHBondContact O-N 3.31Å; A155-V157 VanDerWaalsContact C-N 3.34Å; A155-V157 PolarHBondContact O-N 3.26Å; V157-F159 VanDerWaalsContact C-N 3.28Å; V157-F159 PolarHBondContact O-N 2.91Å |
| 158 | K | 83.9 | Confident | 85.4 | Confident | 182 Ų | 182 | 77 Ų | 77 | 79% | 0.791 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 46.8 | -171.9 | -59.8 | -179.3 | -179.6 | 176.4 | 0 | 112.2 | R154 A155 K156 N160 | R154-K158 PolarHBondContact O-N 3.4Å; R154-K158 VanDerWaalsContact O-N 3.14Å; A155-K158 PolarHBondContact O-N 2.95Å; K156-K158 VanDerWaalsContact C-N 3.28Å; K156-K158 PolarHBondContact O-N 3Å; K158-N160 PolarHBondContact O-N 3.1Å |
| 159 | F | 77.7 | Confident | 85.3 | Confident | 122 Ų | 122 | 76.9 Ų | 76.9 | 54% | 0.535 | 40% | 0.397 | S | S | . | . | trans | -60.2 | 104.7 | -174.1 | -175.5 | -92.7 | 0 | 0 | 0 | 111.7 | R154 V157 V161 V164 | R154-F159 HydrophobicContact CB-CB 4.22Å; R154-F159 HydrophobicContact CG-CB 4.27Å; R154-F159 PolarHBondContact O-N 3.38Å; V157-F159 VanDerWaalsContact C-N 3.28Å; V157-F159 PolarHBondContact O-N 2.91Å; F159-V161 PolarHBondContact O-N 2.69Å; F159-V164 HydrophobicContact CE1-CG2 4.05Å; F159-V164 HydrophobicContact CZ-CG2 4.16Å | ||
| 160 | N | 70.6 | Confident | 85.3 | Confident | 72 Ų | 72 | 80.7 Ų | 80.7 | 39% | 0.385 | 41% | 0.406 | S | S | . | . | trans | -81.8 | 107.3 | -173.8 | -172 | -16.3 | 0 | 0 | 0 | 111 | K158 N162 R163 | K158-N160 PolarHBondContact O-N 3.1Å; N160-N162 PolarHBondContact O-N 3.12Å; N160-N162 VanDerWaalsContact O-N 3.09Å; N160-N162 VanDerWaalsContact OD1-CB 3.3Å; N160-N162 WeakPolarHBondContact OD1-CB 3.46Å; N160-N162 PolarHBondContact OD1-N 3.1Å; N160-R163 HydrophobicContact CB-CB 4.45Å; N160-R163 HydrophobicContact CB-CG 4.13Å; N160-R163 WeakPolarHBondContact O-CB 3.37Å; N160-R163 PolarHBondContact O-N 3.25Å | ||
| 161 | V | 70.2 | Confident | 85.3 | Confident | 109 Ų | 109 | 76.8 Ų | 76.8 | 66% | 0.661 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -57.7 | -24.5 | 178.4 | -175.7 | 0 | 0 | 0 | 0 | 112.6 | F159 R163 V164 | F159-V161 PolarHBondContact O-N 2.69Å; V161-R163 VanDerWaalsContact C-N 3.27Å; V161-R163 PolarHBondContact O-N 3.09Å; V161-V164 VanDerWaalsContact O-CG2 3.23Å; V161-V164 WeakPolarHBondContact O-CG2 3.5Å; V161-V164 PolarHBondContact O-N 3.02Å |
| 162 | N | 65.7 | Low | 85.5 | Confident | 101 Ų | 101 | 75 Ų | 75 | 54% | 0.54 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -74.6 | -15.8 | 176.6 | -59.2 | -41.8 | 0 | 0 | 0 | 113.3 | N160 V164 V292 | N160-N162 PolarHBondContact O-N 3.12Å; N160-N162 VanDerWaalsContact O-N 3.09Å; N160-N162 VanDerWaalsContact OD1-CB 3.3Å; N160-N162 WeakPolarHBondContact OD1-CB 3.46Å; N160-N162 PolarHBondContact OD1-N 3.1Å; N162-V164 VanDerWaalsContact C-N 3.34Å; N162-V292 WeakPolarHBondContact O-CG2 3.44Å |
| 163 | R | 68.9 | Low | 85.5 | Confident | 75 Ų | 75 | 75.3 Ų | 75.3 | 28% | 0.283 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -91.9 | 12.6 | 176.3 | -66.4 | -173.8 | 173.4 | -130.7 | -12.3 | 113.9 | N160 V161 D165 C384 S386 E387 | N160-R163 HydrophobicContact CB-CB 4.45Å; N160-R163 HydrophobicContact CB-CG 4.13Å; N160-R163 WeakPolarHBondContact O-CB 3.37Å; N160-R163 PolarHBondContact O-N 3.25Å; V161-R163 VanDerWaalsContact C-N 3.27Å; V161-R163 PolarHBondContact O-N 3.09Å; R163-D165 VanDerWaalsContact C-N 3.31Å; R163-D165 PolarHBondContact O-N 3.49Å; R163-C384 PolarHBondContact NH1-O 2.81Å; R163-S386 PolarHBondContact NH1-O 3.46Å; R163-S386 PolarHBondContact NH2-O 3.39Å; R163-E387 PolarHBondContact NH2-O 2.87Å |
| 164 | V | 76.6 | Confident | 85.7 | Confident | 34 Ų | 34 | 75.4 Ų | 75.4 | 21% | 0.206 | 38% | 0.383 | C | S | . | . | trans | -73.6 | 88 | -179.7 | 179 | 0 | 0 | 0 | 0 | 109.9 | F159 V161 N162 N166 M167 | F159-V164 HydrophobicContact CE1-CG2 4.05Å; F159-V164 HydrophobicContact CZ-CG2 4.16Å; V161-V164 VanDerWaalsContact O-CG2 3.23Å; V161-V164 WeakPolarHBondContact O-CG2 3.5Å; V161-V164 PolarHBondContact O-N 3.02Å; N162-V164 VanDerWaalsContact C-N 3.34Å; V164-N166 HydrophobicContact CG1-CB 3.9Å; V164-N166 PolarHBondContact O-N 3.33Å; V164-M167 HydrophobicContact CB-CG 4.46Å; V164-M167 HydrophobicContact CG1-CE 4.25Å; V164-M167 HydrophobicContact CG1-CG 4.06Å; V164-M167 PolarHBondContact O-N 2.88Å | ||
| 165 | D | 88.3 | Confident | 85.9 | Confident | 29 Ų | 29 | 68.8 Ų | 68.8 | 16% | 0.155 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -29.3 | 172.7 | 60.6 | -10.8 | 0 | 0 | 0 | 113.2 | R163 M167 I168 I169 I309 S314 L315 | R163-D165 VanDerWaalsContact C-N 3.31Å; R163-D165 PolarHBondContact O-N 3.49Å; D165-M167 PolarHBondContact O-N 3.37Å; D165-M167 VanDerWaalsContact O-N 3.12Å; D165-I168 WeakPolarHBondContact O-CA 3.48Å; D165-I168 VanDerWaalsContact O-CB 3.32Å; D165-I168 WeakPolarHBondContact O-CB 3.31Å; D165-I168 PolarHBondContact O-N 3.25Å; D165-I169 WeakPolarHBondContact O-CG1 3.31Å; D165-I169 PolarHBondContact O-N 3.47Å; D165-I169 VanDerWaalsContact O-N 3.08Å; D165-I309 HydrophobicContact CB-CG2 4.39Å; D165-S314 WeakPolarHBondContact OD2-CA 3.4Å; D165-S314 VanDerWaalsContact OD2-CB 3.27Å; D165-S314 WeakPolarHBondContact OD2-CB 3.39Å; D165-S314 PolarHBondContact OD2-OG 3.26Å; D165-L315 HydrophobicContact CB-CB 4.22Å; D165-L315 PolarHBondContact OD2-N 3.45Å |
| 166 | N | 89.7 | Confident | 86.1 | Confident | 75 Ų | 75 | 68.9 Ų | 68.9 | 40% | 0.401 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -51.3 | -35.8 | 173 | -169.1 | 9.1 | 0 | 0 | 0 | 112.6 | V164 I168 I169 Q170 | V164-N166 HydrophobicContact CG1-CB 3.9Å; V164-N166 PolarHBondContact O-N 3.33Å; N166-I168 VanDerWaalsContact C-N 3.29Å; N166-I168 PolarHBondContact O-N 3.29Å; N166-I169 PolarHBondContact O-N 3.02Å; N166-Q170 WeakPolarHBondContact O-CG 3.49Å; N166-Q170 PolarHBondContact O-N 3.28Å; N166-Q170 PolarHBondContact OD1-NE2 2.92Å |
| 167 | M | 91.2 | Very high | 86.4 | Confident | 84 Ų | 84 | 68.2 Ų | 68.2 | 41% | 0.414 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63 | -35.6 | 175.8 | -62.4 | -62.1 | 102.3 | 0 | 0 | 112.3 | V164 D165 S171 | V164-M167 HydrophobicContact CB-CG 4.46Å; V164-M167 HydrophobicContact CG1-CE 4.25Å; V164-M167 HydrophobicContact CG1-CG 4.06Å; V164-M167 PolarHBondContact O-N 2.88Å; D165-M167 PolarHBondContact O-N 3.37Å; D165-M167 VanDerWaalsContact O-N 3.12Å; M167-S171 VanDerWaalsContact O-CB 3.27Å; M167-S171 WeakPolarHBondContact O-CB 3.43Å; M167-S171 PolarHBondContact O-N 3.3Å; M167-S171 PolarHBondContact O-OG 2.95Å |
| 168 | I | 92.7 | Very high | 86.8 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.6 | -43.9 | 175.7 | -66.3 | 174.6 | 0 | 0 | 0 | 109.9 | D165 N166 S171 I172 L285 K288 M289 V292 A306 | D165-I168 WeakPolarHBondContact O-CA 3.48Å; D165-I168 VanDerWaalsContact O-CB 3.32Å; D165-I168 WeakPolarHBondContact O-CB 3.31Å; D165-I168 PolarHBondContact O-N 3.25Å; N166-I168 VanDerWaalsContact C-N 3.29Å; N166-I168 PolarHBondContact O-N 3.29Å; I168-S171 PolarHBondContact O-N 3.38Å; I168-I172 WeakPolarHBondContact O-CG2 3.29Å; I168-I172 PolarHBondContact O-N 3.14Å; I168-L285 HydrophobicContact CG2-CD1 3.94Å; I168-K288 HydrophobicContact CG1-CB 4.29Å; I168-M289 HydrophobicContact CD1-CE 4.18Å; I168-M289 HydrophobicContact CD1-SD 4.26Å; I168-M289 HydrophobicContact CG2-CE 3.65Å; I168-V292 HydrophobicContact CD1-CB 3.69Å; I168-V292 HydrophobicContact CD1-CG1 3.99Å; I168-V292 HydrophobicContact CD1-CG2 3.85Å; I168-A306 HydrophobicContact CG2-CB 3.86Å |
| 169 | I | 93.4 | Very high | 87.2 | Confident | 27 Ų | 27 | 57.2 Ų | 57.2 | 14% | 0.138 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60 | -48.4 | 179.6 | -59.8 | 176.8 | 0 | 0 | 0 | 111 | D165 N166 I172 S173 I309 A310 G313 | D165-I169 WeakPolarHBondContact O-CG1 3.31Å; D165-I169 PolarHBondContact O-N 3.47Å; D165-I169 VanDerWaalsContact O-N 3.08Å; N166-I169 PolarHBondContact O-N 3.02Å; I169-I172 WeakPolarHBondContact O-CG2 3.31Å; I169-S173 WeakPolarHBondContact O-CB 3.25Å; I169-S173 PolarHBondContact O-N 3.37Å; I169-S173 VanDerWaalsContact O-N 3.12Å; I169-I309 HydrophobicContact CD1-CG2 4.34Å; I169-I309 HydrophobicContact CG1-CG2 4.03Å; I169-A310 HydrophobicContact CG1-CB 4.47Å; I169-A310 HydrophobicContact CG2-CB 4.1Å; I169-G313 WeakPolarHBondContact CD1-O 3.44Å |
| 170 | Q | 93.7 | Very high | 88.1 | Confident | 113 Ų | 113 | 57.3 Ų | 57.3 | 53% | 0.528 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 176.6 | -59.8 | -53.3 | -34.9 | 0 | 0 | 111.8 | N166 I172 S173 L174 | N166-Q170 WeakPolarHBondContact O-CG 3.49Å; N166-Q170 PolarHBondContact O-N 3.28Å; N166-Q170 PolarHBondContact OD1-NE2 2.92Å; Q170-I172 PolarHBondContact O-N 2.88Å; Q170-S173 PolarHBondContact O-N 3Å; Q170-L174 VanDerWaalsContact O-CB 3.29Å; Q170-L174 WeakPolarHBondContact O-CB 3.21Å; Q170-L174 PolarHBondContact O-N 3.13Å |
| 171 | S | 94.4 | Very high | 89.2 | Confident | 11 Ų | 11 | 56.1 Ų | 56.1 | 8% | 0.077 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | -179.5 | -61.3 | 0 | 0 | 0 | 0 | 112.9 | M167 I168 L175 Y284 | M167-S171 VanDerWaalsContact O-CB 3.27Å; M167-S171 WeakPolarHBondContact O-CB 3.43Å; M167-S171 PolarHBondContact O-N 3.3Å; M167-S171 PolarHBondContact O-OG 2.95Å; I168-S171 PolarHBondContact O-N 3.38Å; S171-L175 WeakPolarHBondContact O-CB 3.43Å; S171-L175 PolarHBondContact O-N 3.01Å; S171-Y284 WeakPolarHBondContact OG-CE1 3.08Å |
| 172 | I | 94.7 | Very high | 90.4 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.6 | -36.8 | 178.2 | -169.2 | 60.3 | 0 | 0 | 0 | 112 | I168 I169 Q170 L174 L175 D176 L285 A306 R307 A310 | I168-I172 WeakPolarHBondContact O-CG2 3.29Å; I168-I172 PolarHBondContact O-N 3.14Å; I169-I172 WeakPolarHBondContact O-CG2 3.31Å; Q170-I172 PolarHBondContact O-N 2.88Å; I172-L174 VanDerWaalsContact C-N 3.3Å; I172-L174 PolarHBondContact O-N 3.27Å; I172-L175 PolarHBondContact O-N 3.45Å; I172-D176 WeakPolarHBondContact O-CB 3.4Å; I172-D176 PolarHBondContact O-N 3.07Å; I172-L285 HydrophobicContact CD1-CD2 4.01Å; I172-A306 HydrophobicContact CB-CB 3.9Å; I172-A306 HydrophobicContact CD1-CB 4.22Å; I172-A306 HydrophobicContact CG1-CB 3.94Å; I172-A306 HydrophobicContact CG2-CB 4.26Å; I172-R307 HydrophobicContact CD1-CG 4.03Å; I172-R307 HydrophobicContact CG1-CG 3.65Å; I172-A310 HydrophobicContact CG2-CB 3.64Å |
| 173 | S | 94.8 | Very high | 91.7 | Very high | 74 Ų | 74 | 51.1 Ų | 51.1 | 52% | 0.517 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.6 | -36.3 | 174.2 | -169.7 | 0 | 0 | 0 | 0 | 112 | I169 Q170 Q177 | I169-S173 WeakPolarHBondContact O-CB 3.25Å; I169-S173 PolarHBondContact O-N 3.37Å; I169-S173 VanDerWaalsContact O-N 3.12Å; Q170-S173 PolarHBondContact O-N 3Å; S173-Q177 WeakPolarHBondContact O-CB 3.18Å; S173-Q177 PolarHBondContact O-N 3.03Å |
| 174 | L | 96.1 | Very high | 93 | Very high | 71 Ų | 71 | 51.4 Ų | 51.4 | 37% | 0.372 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.7 | -41.3 | 174.2 | 179.7 | 59.9 | 0 | 0 | 0 | 111.4 | Q170 I172 Q177 L178 Y277 L281 | Q170-L174 VanDerWaalsContact O-CB 3.29Å; Q170-L174 WeakPolarHBondContact O-CB 3.21Å; Q170-L174 PolarHBondContact O-N 3.13Å; I172-L174 VanDerWaalsContact C-N 3.3Å; I172-L174 PolarHBondContact O-N 3.27Å; L174-Q177 PolarHBondContact O-N 2.98Å; L174-L178 HydrophobicContact CD1-CD1 4.32Å; L174-L178 HydrophobicContact CD1-CG 4.2Å; L174-L178 HydrophobicContact CG-CD1 4.03Å; L174-L178 HydrophobicContact CG-CG 4.37Å; L174-L178 WeakPolarHBondContact O-CB 3.27Å; L174-L178 VanDerWaalsContact O-CG 3.29Å; L174-L178 WeakPolarHBondContact O-CG 3.42Å; L174-L178 PolarHBondContact O-N 3.36Å; L174-Y277 HydrophobicContact CD2-CE1 4.32Å; L174-L281 HydrophobicContact CB-CD2 4.12Å; L174-L281 HydrophobicContact CD2-CD2 3.8Å; L174-L281 HydrophobicContact CG-CD2 3.79Å |
| 175 | L | 95 | Very high | 93.8 | Very high | 10 Ų | 10 | 53.2 Ų | 53.2 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 176.7 | -167.4 | 158.2 | 0 | 0 | 0 | 111.6 | S171 I172 Q177 L178 D179 L281 H282 L285 | S171-L175 WeakPolarHBondContact O-CB 3.43Å; S171-L175 PolarHBondContact O-N 3.01Å; I172-L175 PolarHBondContact O-N 3.45Å; L175-Q177 PolarHBondContact O-N 3.17Å; L175-L178 PolarHBondContact O-N 3.02Å; L175-D179 PolarHBondContact O-N 3.06Å; L175-L281 HydrophobicContact CB-CD2 4.17Å; L175-H282 HydrophobicContact CD1-CB 4.07Å; L175-L285 HydrophobicContact CD1-CD2 4.32Å |
| 176 | D | 93.6 | Very high | 94 | Very high | 45 Ų | 45 | 51.8 Ų | 51.8 | 24% | 0.241 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.8 | -18.4 | 177.4 | -74.3 | -11.7 | 0 | 0 | 0 | 113.2 | I172 K180 R307 | I172-D176 WeakPolarHBondContact O-CB 3.4Å; I172-D176 PolarHBondContact O-N 3.07Å; D176-K180 VanDerWaalsContact O-CE 3.29Å; D176-K180 WeakPolarHBondContact O-CE 3.43Å; D176-R307 IonicContact OD1-CZ 2.95Å; D176-R307 IonicContact OD1-NE 2.7Å; D176-R307 PolarHBondContact OD1-NE 2.82Å; D176-R307 IonicContact OD1-NH2 3.32Å; D176-R307 PolarHBondContact OD1-NH2 2.88Å; D176-R307 IonicContact OD2-CZ 3.93Å; D176-R307 IonicContact OD2-NE 2.81Å; D176-R307 PolarHBondContact OD2-NE 3.26Å; D176-R307 VanDerWaalsContact OD2-NE 3.11Å; D176-R307 IonicContact OD2-NH2 3.48Å |
| 177 | Q | 95.7 | Very high | 94.1 | Very high | 83 Ų | 83 | 52.1 Ų | 52.1 | 39% | 0.388 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -86 | -47.6 | 171.7 | -175.6 | 55.3 | 40.9 | 0 | 0 | 111.5 | S173 L174 L175 D179 K180 D181 | S173-Q177 WeakPolarHBondContact O-CB 3.18Å; S173-Q177 PolarHBondContact O-N 3.03Å; L174-Q177 PolarHBondContact O-N 2.98Å; L175-Q177 PolarHBondContact O-N 3.17Å; Q177-D179 VanDerWaalsContact C-N 3.25Å; Q177-D179 PolarHBondContact O-N 3.17Å; Q177-K180 WeakPolarHBondContact O-CB 3.32Å; Q177-K180 PolarHBondContact O-N 3.49Å; Q177-D181 WeakPolarHBondContact CG-OD2 3.48Å; Q177-D181 VanDerWaalsContact NE2-CG 3.26Å; Q177-D181 PolarHBondContact NE2-OD1 3.23Å; Q177-D181 PolarHBondContact NE2-OD2 3.08Å; Q177-D181 PolarHBondContact O-N 3.23Å |
| 178 | L | 95.1 | Very high | 94.2 | Very high | 13 Ų | 13 | 55.9 Ų | 55.9 | 7% | 0.068 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.7 | -38.9 | 175.5 | -74.9 | 171.4 | 0 | 0 | 0 | 112.1 | L174 L175 K180 D181 I182 L274 Y277 L281 | L174-L178 HydrophobicContact CD1-CD1 4.32Å; L174-L178 HydrophobicContact CD1-CG 4.2Å; L174-L178 HydrophobicContact CG-CD1 4.03Å; L174-L178 HydrophobicContact CG-CG 4.37Å; L174-L178 WeakPolarHBondContact O-CB 3.27Å; L174-L178 VanDerWaalsContact O-CG 3.29Å; L174-L178 WeakPolarHBondContact O-CG 3.42Å; L174-L178 PolarHBondContact O-N 3.36Å; L175-L178 PolarHBondContact O-N 3.02Å; L178-K180 VanDerWaalsContact C-N 3.29Å; L178-K180 PolarHBondContact O-N 2.81Å; L178-D181 PolarHBondContact O-N 2.97Å; L178-I182 HydrophobicContact CB-CD1 4.36Å; L178-I182 VanDerWaalsContact O-CB 3.26Å; L178-I182 WeakPolarHBondContact O-CB 3.49Å; L178-I182 WeakPolarHBondContact O-CD1 3.41Å; L178-I182 WeakPolarHBondContact O-CG1 3.47Å; L178-I182 PolarHBondContact O-N 3.36Å; L178-L274 HydrophobicContact CD2-CD2 4.06Å; L178-Y277 HydrophobicContact CD1-CD1 3.79Å; L178-Y277 HydrophobicContact CD1-CE1 3.88Å; L178-L281 HydrophobicContact CD1-CD2 3.9Å |
| 179 | D | 93.4 | Very high | 94.2 | Very high | 49 Ų | 49 | 55.8 Ų | 55.8 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.2 | -36.5 | 177.6 | -78.5 | 19.8 | 0 | 0 | 0 | 112.5 | L175 Q177 N183 R278 | L175-D179 PolarHBondContact O-N 3.06Å; Q177-D179 VanDerWaalsContact C-N 3.25Å; Q177-D179 PolarHBondContact O-N 3.17Å; D179-N183 WeakPolarHBondContact O-CB 3.29Å; D179-N183 PolarHBondContact O-N 3.47Å; D179-R278 VanDerWaalsContact CG-NH2 3.33Å; D179-R278 IonicContact OD1-CZ 3Å; D179-R278 IonicContact OD1-NE 3.44Å; D179-R278 PolarHBondContact OD1-NE 3.07Å; D179-R278 IonicContact OD1-NH2 3.89Å; D179-R278 PolarHBondContact OD1-NH2 2.82Å; D179-R278 IonicContact OD2-CZ 3.13Å; D179-R278 IonicContact OD2-NE 3.35Å; D179-R278 IonicContact OD2-NH2 3.9Å; D179-R278 PolarHBondContact OD2-NH2 3.17Å |
| 180 | K | 95.4 | Very high | 94.1 | Very high | 124 Ų | 124 | 56.1 Ų | 56.1 | 54% | 0.539 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -74.5 | -42.5 | 175.7 | -61.5 | 169.3 | -167.1 | 156 | 0 | 111.5 | D176 Q177 L178 N183 T184 | D176-K180 VanDerWaalsContact O-CE 3.29Å; D176-K180 WeakPolarHBondContact O-CE 3.43Å; Q177-K180 WeakPolarHBondContact O-CB 3.32Å; Q177-K180 PolarHBondContact O-N 3.49Å; L178-K180 VanDerWaalsContact C-N 3.29Å; L178-K180 PolarHBondContact O-N 2.81Å; K180-N183 PolarHBondContact O-N 2.61Å; K180-T184 WeakPolarHBondContact O-CB 3.27Å; K180-T184 PolarHBondContact O-N 2.87Å; K180-T184 PolarHBondContact O-OG1 2.87Å |
| 181 | D | 95.4 | Very high | 93.9 | Very high | 48 Ų | 48 | 56.2 Ų | 56.2 | 26% | 0.257 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68 | -44.3 | -177.9 | -65.7 | -22.6 | 0 | 0 | 0 | 110.7 | Q177 L178 N183 T184 F185 | Q177-D181 WeakPolarHBondContact CG-OD2 3.48Å; Q177-D181 VanDerWaalsContact NE2-CG 3.26Å; Q177-D181 PolarHBondContact NE2-OD1 3.23Å; Q177-D181 PolarHBondContact NE2-OD2 3.08Å; Q177-D181 PolarHBondContact O-N 3.23Å; L178-D181 PolarHBondContact O-N 2.97Å; D181-N183 VanDerWaalsContact C-N 3.34Å; D181-N183 PolarHBondContact O-N 3.12Å; D181-T184 PolarHBondContact O-N 3.12Å; D181-F185 HydrophobicContact CB-CD2 4.35Å; D181-F185 HydrophobicContact CB-CE2 3.92Å; D181-F185 HydrophobicContact CB-CZ 4.3Å; D181-F185 VanDerWaalsContact O-CB 3.31Å; D181-F185 WeakPolarHBondContact O-CB 3.23Å; D181-F185 VanDerWaalsContact O-CD2 3.22Å; D181-F185 WeakPolarHBondContact O-CD2 3.47Å; D181-F185 WeakPolarHBondContact O-CG 3.44Å; D181-F185 PolarHBondContact O-N 3.17Å |
| 182 | I | 94.3 | Very high | 93.8 | Very high | 22 Ų | 22 | 60.2 Ų | 60.2 | 11% | 0.113 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.9 | -45.2 | 173.2 | -69.9 | 163.6 | 0 | 0 | 0 | 110.5 | L178 S186 L274 R278 | L178-I182 HydrophobicContact CB-CD1 4.36Å; L178-I182 VanDerWaalsContact O-CB 3.26Å; L178-I182 WeakPolarHBondContact O-CB 3.49Å; L178-I182 WeakPolarHBondContact O-CD1 3.41Å; L178-I182 WeakPolarHBondContact O-CG1 3.47Å; L178-I182 PolarHBondContact O-N 3.36Å; I182-S186 VanDerWaalsContact O-CB 3.22Å; I182-S186 WeakPolarHBondContact O-CB 3.34Å; I182-S186 PolarHBondContact O-N 3.05Å; I182-S186 PolarHBondContact O-OG 2.66Å; I182-L274 HydrophobicContact CD1-CB 4.46Å; I182-L274 HydrophobicContact CG1-CB 4.08Å; I182-R278 HydrophobicContact CD1-CB 3.85Å; I182-R278 HydrophobicContact CD1-CG 4.12Å |
| 183 | N | 93.4 | Very high | 93.6 | Very high | 82 Ų | 82 | 60.1 Ų | 60.1 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 177.8 | -173.5 | 55.6 | 0 | 0 | 0 | 111.9 | D179 K180 D181 F185 S186 M187 N207 | D179-N183 WeakPolarHBondContact O-CB 3.29Å; D179-N183 PolarHBondContact O-N 3.47Å; K180-N183 PolarHBondContact O-N 2.61Å; D181-N183 VanDerWaalsContact C-N 3.34Å; D181-N183 PolarHBondContact O-N 3.12Å; N183-F185 PolarHBondContact O-N 3.47Å; N183-S186 PolarHBondContact O-N 2.91Å; N183-M187 WeakPolarHBondContact O-CG 3.45Å; N183-M187 PolarHBondContact O-N 3.41Å; N183-N207 PolarHBondContact OD1-ND2 3.3Å |
| 184 | T | 95.1 | Very high | 93.4 | Very high | 82 Ų | 82 | 57.3 Ų | 57.3 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 179.7 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | K180 D181 R188 | K180-T184 WeakPolarHBondContact O-CB 3.27Å; K180-T184 PolarHBondContact O-N 2.87Å; K180-T184 PolarHBondContact O-OG1 2.87Å; D181-T184 PolarHBondContact O-N 3.12Å; T184-R188 PolarHBondContact O-N 3.09Å |
| 185 | F | 94.6 | Very high | 93.1 | Very high | 71 Ų | 71 | 61.5 Ų | 61.5 | 31% | 0.311 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -71.5 | -38.4 | 177.2 | -59.9 | -27.5 | 0 | 0 | 0 | 112 | D181 N183 M187 R188 V189 F267 V271 L274 | D181-F185 HydrophobicContact CB-CD2 4.35Å; D181-F185 HydrophobicContact CB-CE2 3.92Å; D181-F185 HydrophobicContact CB-CZ 4.3Å; D181-F185 VanDerWaalsContact O-CB 3.31Å; D181-F185 WeakPolarHBondContact O-CB 3.23Å; D181-F185 VanDerWaalsContact O-CD2 3.22Å; D181-F185 WeakPolarHBondContact O-CD2 3.47Å; D181-F185 WeakPolarHBondContact O-CG 3.44Å; D181-F185 PolarHBondContact O-N 3.17Å; N183-F185 PolarHBondContact O-N 3.47Å; F185-M187 PolarHBondContact O-N 2.93Å; F185-R188 CarbonylContact O-C 3.57Å; F185-R188 WeakPolarHBondContact O-CA 3.45Å; F185-R188 WeakPolarHBondContact O-CB 3.42Å; F185-R188 PolarHBondContact O-N 2.97Å; F185-R188 VanDerWaalsContact O-N 3.08Å; F185-V189 WeakPolarHBondContact O-CG2 3.3Å; F185-V189 PolarHBondContact O-N 2.85Å; F185-F267 HydrophobicContact CB-CE1 4.43Å; F185-F267 HydrophobicContact CB-CE2 4.37Å; F185-F267 HydrophobicContact CB-CZ 3.72Å; F185-F267 HydrophobicContact CD1-CE2 4.3Å; F185-F267 AromaticContact CD1-CZ 3.93Å; F185-F267 HydrophobicContact CD1-CZ 3.93Å; F185-F267 HydrophobicContact CG-CE2 4.28Å; F185-F267 AromaticContact CG-CZ 3.96Å; F185-F267 HydrophobicContact CG-CZ 3.96Å; F185-V271 HydrophobicContact CB-CG2 3.52Å; F185-V271 HydrophobicContact CG-CG2 4.5Å; F185-L274 HydrophobicContact CD2-CD1 3.96Å; F185-L274 HydrophobicContact CE2-CD1 3.99Å |
| 186 | S | 92.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 174.7 | -58 | 0 | 0 | 0 | 0 | 111.8 | I182 N183 R188 V189 R190 N207 | I182-S186 VanDerWaalsContact O-CB 3.22Å; I182-S186 WeakPolarHBondContact O-CB 3.34Å; I182-S186 PolarHBondContact O-N 3.05Å; I182-S186 PolarHBondContact O-OG 2.66Å; N183-S186 PolarHBondContact O-N 2.91Å; S186-R188 VanDerWaalsContact C-N 3.3Å; S186-R188 PolarHBondContact O-N 2.95Å; S186-V189 PolarHBondContact O-N 3.07Å; S186-R190 WeakPolarHBondContact O-CG 3.34Å; S186-R190 PolarHBondContact O-N 3.49Å; S186-N207 WeakPolarHBondContact CB-OD1 3.44Å |
| 187 | M | 91.9 | Very high | 92.5 | Very high | 81 Ų | 81 | 59 Ų | 59 | 40% | 0.399 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 171.5 | -70.3 | -59.9 | -61.9 | 0 | 0 | 111.5 | N183 F185 R190 E191 | N183-M187 WeakPolarHBondContact O-CG 3.45Å; N183-M187 PolarHBondContact O-N 3.41Å; F185-M187 PolarHBondContact O-N 2.93Å; M187-R190 PolarHBondContact O-N 2.92Å; M187-E191 WeakPolarHBondContact O-CG 3.25Å; M187-E191 PolarHBondContact O-N 3.5Å |
| 188 | R | 92.3 | Very high | 92.2 | Very high | 163 Ų | 163 | 57.4 Ų | 57.4 | 62% | 0.615 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -65.7 | -38.7 | 174.7 | -173.4 | 62.3 | 60.1 | 169.4 | 0.8 | 112.8 | T184 F185 S186 W192 F267 | T184-R188 PolarHBondContact O-N 3.09Å; F185-R188 CarbonylContact O-C 3.57Å; F185-R188 WeakPolarHBondContact O-CA 3.45Å; F185-R188 WeakPolarHBondContact O-CB 3.42Å; F185-R188 PolarHBondContact O-N 2.97Å; F185-R188 VanDerWaalsContact O-N 3.08Å; S186-R188 VanDerWaalsContact C-N 3.3Å; S186-R188 PolarHBondContact O-N 2.95Å; R188-W192 VanDerWaalsContact O-CB 3.27Å; R188-W192 WeakPolarHBondContact O-CB 3.44Å; R188-W192 PolarHBondContact O-N 2.88Å; R188-F267 HydrophobicContact CB-CE1 3.9Å; R188-F267 HydrophobicContact CB-CZ 4.25Å; R188-F267 HydrophobicContact CG-CE1 3.82Å; R188-F267 HydrophobicContact CG-CZ 4.21Å |
| 189 | V | 92.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63 | -43.3 | 173 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | F185 S186 W192 Y193 Y210 F267 V271 | F185-V189 WeakPolarHBondContact O-CG2 3.3Å; F185-V189 PolarHBondContact O-N 2.85Å; S186-V189 PolarHBondContact O-N 3.07Å; V189-W192 PolarHBondContact O-N 3.39Å; V189-Y193 WeakPolarHBondContact O-CB 3.44Å; V189-Y193 PolarHBondContact O-N 3.12Å; V189-Y210 HydrophobicContact CG1-CD1 4.29Å; V189-Y210 HydrophobicContact CG1-CE1 4.11Å; V189-F267 HydrophobicContact CG2-CD1 3.47Å; V189-F267 VanDerWaalsContact CG2-CD1 3.47Å; V189-F267 HydrophobicContact CG2-CE1 3.57Å; V189-F267 HydrophobicContact CG2-CG 4.48Å; V189-V271 HydrophobicContact CG2-CG2 4.08Å |
| 190 | R | 91.6 | Very high | 91.7 | Very high | 33 Ų | 33 | 56.4 Ų | 56.4 | 13% | 0.125 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 177.4 | -77 | 174.1 | 171.2 | -173.6 | -2 | 113.4 | S186 M187 G194 V201 I204 N205 D206 N207 Y210 | S186-R190 WeakPolarHBondContact O-CG 3.34Å; S186-R190 PolarHBondContact O-N 3.49Å; M187-R190 PolarHBondContact O-N 2.92Å; R190-G194 VanDerWaalsContact O-CA 3.23Å; R190-G194 WeakPolarHBondContact O-CA 3.44Å; R190-G194 PolarHBondContact O-N 3.1Å; R190-V201 HydrophobicContact CB-CG2 4.49Å; R190-I204 PolarHBondContact NH2-O 2.84Å; R190-N205 PolarHBondContact NH2-O 3.29Å; R190-D206 PolarHBondContact NH2-O 2.96Å; R190-N207 PolarHBondContact NE-OD1 3.21Å; R190-N207 PolarHBondContact NH1-OD1 2.91Å; R190-N207 PolarHBondContact NH2-OD1 3.39Å; R190-Y210 HydrophobicContact CB-CE1 4.18Å; R190-Y210 HydrophobicContact CG-CD1 3.61Å; R190-Y210 HydrophobicContact CG-CD2 4.23Å; R190-Y210 HydrophobicContact CG-CE1 3.59Å; R190-Y210 HydrophobicContact CG-CE2 4.19Å; R190-Y210 HydrophobicContact CG-CG 3.96Å |
| 191 | E | 91 | Very high | 91.4 | Very high | 116 Ų | 116 | 53 Ų | 53 | 54% | 0.542 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 176.3 | -67.5 | -61 | 134.5 | 0 | 0 | 111 | M187 G194 Y195 | M187-E191 WeakPolarHBondContact O-CG 3.25Å; M187-E191 PolarHBondContact O-N 3.5Å; E191-G194 PolarHBondContact O-N 3.18Å; E191-Y195 WeakPolarHBondContact O-CD2 3.36Å; E191-Y195 PolarHBondContact O-N 3.25Å |
| 192 | W | 90.5 | Very high | 91 | Very high | 95 Ų | 95 | 59 Ų | 59 | 36% | 0.36 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.4 | -45.7 | -174.6 | -161.5 | -2.2 | 0 | 0 | 0 | 112.6 | R188 V189 N263 I264 F267 | R188-W192 VanDerWaalsContact O-CB 3.27Å; R188-W192 WeakPolarHBondContact O-CB 3.44Å; R188-W192 PolarHBondContact O-N 2.88Å; V189-W192 PolarHBondContact O-N 3.39Å; W192-N263 HydrophobicContact CH2-CB 3.89Å; W192-N263 HydrophobicContact CZ2-CB 4.06Å; W192-I264 HydrophobicContact CB-CD1 4.43Å; W192-I264 HydrophobicContact CB-CG1 4.43Å; W192-I264 HydrophobicContact CD2-CD1 4.16Å; W192-I264 HydrophobicContact CD2-CG1 3.52Å; W192-I264 HydrophobicContact CE3-CG1 4.01Å; W192-I264 HydrophobicContact CG-CD1 3.82Å; W192-I264 HydrophobicContact CG-CG1 3.7Å; W192-I264 HydrophobicContact CZ2-CG1 4.17Å; W192-F267 HydrophobicContact CE3-CD1 4.18Å; W192-F267 HydrophobicContact CZ3-CB 4.27Å; W192-F267 HydrophobicContact CZ3-CD1 4.22Å; W192-F267 HydrophobicContact CZ3-CG 4.37Å |
| 193 | Y | 91.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -77.3 | -24.7 | 175.6 | -165 | -102.2 | 0 | 0 | 0 | 112.5 | V189 Y195 H196 F197 L200 A214 I217 G218 L261 I264 | V189-Y193 WeakPolarHBondContact O-CB 3.44Å; V189-Y193 PolarHBondContact O-N 3.12Å; Y193-Y195 PolarHBondContact O-N 3.48Å; Y193-H196 WeakPolarHBondContact O-CA 3.25Å; Y193-H196 WeakPolarHBondContact O-CB 3.38Å; Y193-H196 PolarHBondContact O-N 2.73Å; Y193-F197 HydrophobicContact CD1-CB 4.37Å; Y193-F197 HydrophobicContact CE1-CB 3.86Å; Y193-F197 HydrophobicContact CE1-CD1 4.19Å; Y193-F197 PolarHBondContact O-N 3.47Å; Y193-L200 HydrophobicContact CD1-CD2 3.97Å; Y193-L200 HydrophobicContact CE1-CD2 3.72Å; Y193-A214 HydrophobicContact CD1-CB 4.25Å; Y193-A214 HydrophobicContact CD2-CB 4.39Å; Y193-A214 HydrophobicContact CE1-CB 4.44Å; Y193-A214 HydrophobicContact CG-CB 4.22Å; Y193-I217 WeakPolarHBondContact OH-CG2 3.29Å; Y193-G218 WeakPolarHBondContact CE2-O 3.45Å; Y193-G218 PolarHBondContact OH-O 2.97Å; Y193-L261 HydrophobicContact CE2-CD1 4.21Å; Y193-I264 HydrophobicContact CD2-CD1 4.41Å; Y193-I264 HydrophobicContact CD2-CG2 3.96Å |
| 194 | G | 90.1 | Very high | 90.3 | Very high | 15 Ų | 15 | 56.2 Ų | 56.2 | 16% | 0.155 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62 | -24.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R190 E191 H196 P198 | R190-G194 VanDerWaalsContact O-CA 3.23Å; R190-G194 WeakPolarHBondContact O-CA 3.44Å; R190-G194 PolarHBondContact O-N 3.1Å; E191-G194 PolarHBondContact O-N 3.18Å; G194-H196 VanDerWaalsContact C-N 3.27Å; G194-H196 PolarHBondContact O-N 3.26Å; G194-P198 VanDerWaalsContact O-CA 3.26Å; G194-P198 WeakPolarHBondContact O-CA 3.34Å; G194-P198 VanDerWaalsContact O-CB 3.27Å; G194-P198 WeakPolarHBondContact O-CB 3.39Å; G194-P198 VanDerWaalsContact O-CD 3.27Å; G194-P198 WeakPolarHBondContact O-CD 3.24Å; G194-P198 VanDerWaalsContact O-N 3.17Å |
| 195 | Y | 89.2 | Confident | 89.9 | Confident | 159 Ų | 159 | 59 Ų | 59 | 62% | 0.624 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -30.5 | 169 | -76.8 | -78.3 | 0 | 0 | 0 | 113.1 | E191 Y193 M254 | E191-Y195 WeakPolarHBondContact O-CD2 3.36Å; E191-Y195 PolarHBondContact O-N 3.25Å; Y193-Y195 PolarHBondContact O-N 3.48Å; Y195-M254 PolarHBondContact O-N 2.79Å |
| 196 | H | 87.9 | Confident | 89.6 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -44.7 | 179.2 | -176.8 | 54.6 | 0 | 0 | 0 | 112.3 | Y193 G194 R220 M254 I256 | Y193-H196 WeakPolarHBondContact O-CA 3.25Å; Y193-H196 WeakPolarHBondContact O-CB 3.38Å; Y193-H196 PolarHBondContact O-N 2.73Å; G194-H196 VanDerWaalsContact C-N 3.27Å; G194-H196 PolarHBondContact O-N 3.26Å; H196-R220 VanDerWaalsContact CE1-CD 3.41Å; H196-R220 WeakPolarHBondContact CE1-CD 3.49Å; H196-R220 PolarHBondContact CE1-NE 3.05Å; H196-R220 WeakPolarHBondContact NE2-CG 3.46Å; H196-R220 PolarHBondContact NE2-N 2.93Å; H196-R220 PolarHBondContact O-NH1 2.94Å; H196-R220 VanDerWaalsContact O-NH1 3.16Å; H196-M254 WeakPolarHBondContact CA-O 3.34Å; H196-M254 PolarHBondContact ND1-O 3.49Å; H196-I256 HydrophobicContact CB-CB 4.36Å; H196-I256 HydrophobicContact CB-CG2 4.48Å |
| 197 | F | 88.7 | Confident | 89.3 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -137.6 | 75.6 | -176.8 | -168.5 | -161.8 | 0 | 0 | 0 | 111.5 | Y193 E199 L200 I217 I244 A247 | Y193-F197 HydrophobicContact CD1-CB 4.37Å; Y193-F197 HydrophobicContact CE1-CB 3.86Å; Y193-F197 HydrophobicContact CE1-CD1 4.19Å; Y193-F197 PolarHBondContact O-N 3.47Å; F197-E199 VanDerWaalsContact C-N 3.26Å; F197-E199 HydrophobicContact CD2-CB 4.23Å; F197-E199 VanDerWaalsContact CD2-OE2 3.25Å; F197-E199 WeakPolarHBondContact CD2-OE2 3.47Å; F197-E199 HydrophobicContact CE2-CB 3.86Å; F197-E199 PolarHBondContact O-N 2.97Å; F197-L200 HydrophobicContact CD1-CB 3.74Å; F197-L200 HydrophobicContact CD1-CD1 4.18Å; F197-L200 HydrophobicContact CD1-CD2 4.22Å; F197-L200 HydrophobicContact CD1-CG 4.27Å; F197-L200 HydrophobicContact CE1-CB 4Å; F197-L200 HydrophobicContact CE1-CD1 3.83Å; F197-L200 HydrophobicContact CE1-CG 4.38Å; F197-L200 HydrophobicContact CG-CB 4.07Å; F197-L200 WeakPolarHBondContact O-CB 3.4Å; F197-L200 PolarHBondContact O-N 3.2Å; F197-I217 HydrophobicContact CE1-CD1 4.42Å; F197-I244 HydrophobicContact CE1-CG2 4.04Å; F197-I244 HydrophobicContact CZ-CG2 4.31Å; F197-A247 HydrophobicContact CE2-CB 3.89Å; F197-A247 HydrophobicContact CZ-CB 3.91Å | ||
| 198 | P | 89.5 | Confident | 89 | Confident | 50 Ų | 50 | 58.4 Ų | 58.4 | 33% | 0.325 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -25.5 | -174.5 | 23.9 | -32.1 | 0 | 0 | 0 | 113.4 | G194 L200 V201 | G194-P198 VanDerWaalsContact O-CA 3.26Å; G194-P198 WeakPolarHBondContact O-CA 3.34Å; G194-P198 VanDerWaalsContact O-CB 3.27Å; G194-P198 WeakPolarHBondContact O-CB 3.39Å; G194-P198 VanDerWaalsContact O-CD 3.27Å; G194-P198 WeakPolarHBondContact O-CD 3.24Å; G194-P198 VanDerWaalsContact O-N 3.17Å; P198-L200 VanDerWaalsContact C-N 3.29Å; P198-L200 PolarHBondContact O-N 3.26Å; P198-V201 PolarHBondContact O-N 3.21Å |
| 199 | E | 88.7 | Confident | 88.8 | Confident | 42 Ų | 42 | 52.2 Ų | 52.2 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.9 | -31.2 | 179.7 | -60.9 | 76.3 | -164 | 0 | 0 | 112.2 | F197 V201 K202 I203 A247 S251 | F197-E199 VanDerWaalsContact C-N 3.26Å; F197-E199 HydrophobicContact CD2-CB 4.23Å; F197-E199 VanDerWaalsContact CD2-OE2 3.25Å; F197-E199 WeakPolarHBondContact CD2-OE2 3.47Å; F197-E199 HydrophobicContact CE2-CB 3.86Å; F197-E199 PolarHBondContact O-N 2.97Å; E199-V201 PolarHBondContact O-N 3.13Å; E199-K202 WeakPolarHBondContact O-CB 3.44Å; E199-K202 PolarHBondContact O-N 2.98Å; E199-I203 PolarHBondContact O-N 2.88Å; E199-A247 HydrophobicContact CB-CB 3.86Å; E199-A247 HydrophobicContact CG-CB 4.43Å; E199-S251 WeakPolarHBondContact OE2-CB 3.41Å; E199-S251 PolarHBondContact OE2-OG 2.84Å |
| 200 | L | 89.5 | Confident | 88.7 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.8 | -35.7 | -179.8 | -167.1 | 70.9 | 0 | 0 | 0 | 112.4 | Y193 F197 P198 K202 I203 I204 Y210 I217 I244 | Y193-L200 HydrophobicContact CD1-CD2 3.97Å; Y193-L200 HydrophobicContact CE1-CD2 3.72Å; F197-L200 HydrophobicContact CD1-CB 3.74Å; F197-L200 HydrophobicContact CD1-CD1 4.18Å; F197-L200 HydrophobicContact CD1-CD2 4.22Å; F197-L200 HydrophobicContact CD1-CG 4.27Å; F197-L200 HydrophobicContact CE1-CB 4Å; F197-L200 HydrophobicContact CE1-CD1 3.83Å; F197-L200 HydrophobicContact CE1-CG 4.38Å; F197-L200 HydrophobicContact CG-CB 4.07Å; F197-L200 WeakPolarHBondContact O-CB 3.4Å; F197-L200 PolarHBondContact O-N 3.2Å; P198-L200 VanDerWaalsContact C-N 3.29Å; P198-L200 PolarHBondContact O-N 3.26Å; L200-K202 VanDerWaalsContact C-N 3.25Å; L200-K202 PolarHBondContact O-N 3.42Å; L200-I203 PolarHBondContact O-N 3.22Å; L200-I204 HydrophobicContact CD1-CD1 3.24Å; L200-I204 HydrophobicContact CG-CD1 3.68Å; L200-I204 PolarHBondContact O-N 3.44Å; L200-Y210 HydrophobicContact CB-CE2 3.92Å; L200-Y210 HydrophobicContact CD2-CD2 4.07Å; L200-Y210 HydrophobicContact CD2-CE2 3.6Å; L200-Y210 HydrophobicContact CG-CD2 4.04Å; L200-Y210 HydrophobicContact CG-CE2 3.64Å; L200-I217 HydrophobicContact CD1-CD1 3.94Å; L200-I217 HydrophobicContact CD2-CD1 4.08Å; L200-I244 HydrophobicContact CD1-CD1 4.29Å; L200-I244 HydrophobicContact CD1-CG1 4.03Å; L200-I244 HydrophobicContact CD1-CG2 4.13Å |
| 201 | V | 88.3 | Confident | 88.6 | Confident | 52 Ų | 52 | 50.6 Ų | 50.6 | 32% | 0.315 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.7 | -28.4 | 179.5 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | R190 P198 E199 Y210 | R190-V201 HydrophobicContact CB-CG2 4.49Å; P198-V201 PolarHBondContact O-N 3.21Å; E199-V201 PolarHBondContact O-N 3.13Å; V201-Y210 HydrophobicContact CB-CE2 4.35Å; V201-Y210 HydrophobicContact CG2-CE2 3.64Å |
| 202 | K | 87.3 | Confident | 88.5 | Confident | 173 Ų | 173 | 49.7 Ų | 49.7 | 75% | 0.752 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -80.2 | -26.1 | 177.3 | -61.1 | 175.9 | -177.5 | 168.8 | 0 | 112.8 | E199 L200 | E199-K202 WeakPolarHBondContact O-CB 3.44Å; E199-K202 PolarHBondContact O-N 2.98Å; L200-K202 VanDerWaalsContact C-N 3.25Å; L200-K202 PolarHBondContact O-N 3.42Å |
| 203 | I | 87.4 | Confident | 88.3 | Confident | 38 Ų | 38 | 45.1 Ų | 45.1 | 20% | 0.195 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -87.3 | -39.3 | -177.3 | -58.2 | 167.4 | 0 | 0 | 0 | 111.1 | E199 L200 K240 A243 I244 A247 | E199-I203 PolarHBondContact O-N 2.88Å; L200-I203 PolarHBondContact O-N 3.22Å; I203-K240 HydrophobicContact CG2-CB 4.18Å; I203-K240 HydrophobicContact CG2-CG 4.28Å; I203-A243 HydrophobicContact CD1-CB 4.35Å; I203-I244 HydrophobicContact CD1-CG1 4.09Å; I203-I244 HydrophobicContact CG2-CG1 4.05Å; I203-A247 HydrophobicContact CD1-CB 3.76Å |
| 204 | I | 86.9 | Confident | 88.1 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | trans | -112.5 | 103.6 | -176.7 | -57.6 | 112.3 | 0 | 0 | 0 | 111.7 | R190 L200 D206 T209 Y210 L213 I244 | R190-I204 PolarHBondContact NH2-O 2.84Å; L200-I204 HydrophobicContact CD1-CD1 3.24Å; L200-I204 HydrophobicContact CG-CD1 3.68Å; L200-I204 PolarHBondContact O-N 3.44Å; I204-D206 WeakPolarHBondContact CG2-O 3.43Å; I204-T209 HydrophobicContact CG2-CG2 4.07Å; I204-Y210 HydrophobicContact CB-CD2 4.48Å; I204-L213 HydrophobicContact CD1-CD1 3.43Å; I204-L213 VanDerWaalsContact CD1-CD1 3.43Å; I204-L213 HydrophobicContact CG1-CD1 3.67Å; I204-I244 HydrophobicContact CD1-CD1 3.86Å; I204-I244 HydrophobicContact CD1-CG1 4.28Å | ||
| 205 | N | 85.7 | Confident | 87.9 | Confident | 142 Ų | 142 | 47.5 Ų | 47.5 | 76% | 0.759 | 23% | 0.234 | S | C | * | . | trans | -73.9 | -22.2 | 175.2 | -67 | -23.1 | 0 | 0 | 0 | 113.9 | R190 | R190-N205 PolarHBondContact NH2-O 3.29Š| ||
| 206 | D | 87.6 | Confident | 87.7 | Confident | 79 Ų | 79 | 42.7 Ų | 42.7 | 42% | 0.422 | 22% | 0.216 | S | C | . | . | trans | -81.8 | 139 | 179.7 | 178.4 | 48.2 | 0 | 0 | 0 | 112.9 | R190 I204 A208 T209 Y210 | R190-D206 PolarHBondContact NH2-O 2.96Å; I204-D206 WeakPolarHBondContact CG2-O 3.43Å; D206-A208 PolarHBondContact OD2-N 3.46Å; D206-A208 VanDerWaalsContact OD2-N 3.12Å; D206-T209 WeakPolarHBondContact OD2-CB 3.46Å; D206-T209 PolarHBondContact OD2-N 2.85Å; D206-T209 PolarHBondContact OD2-OG1 2.87Å; D206-T209 VanDerWaalsContact OD2-OG1 3.13Å; D206-Y210 WeakPolarHBondContact O-CB 3.34Å; D206-Y210 PolarHBondContact O-N 2.93Å | ||
| 207 | N | 86.9 | Confident | 87.6 | Confident | 31 Ų | 31 | 42.6 Ų | 42.6 | 17% | 0.166 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.5 | -43.6 | -179 | -88.3 | -28.6 | 0 | 0 | 0 | 112.1 | N183 S186 R190 C211 | N183-N207 PolarHBondContact OD1-ND2 3.3Å; S186-N207 WeakPolarHBondContact CB-OD1 3.44Å; R190-N207 PolarHBondContact NE-OD1 3.21Å; R190-N207 PolarHBondContact NH1-OD1 2.91Å; R190-N207 PolarHBondContact NH2-OD1 3.39Å; N207-C211 PolarHBondContact O-N 3.34Å; N207-C211 PolarHBondContact O-SG 3.15Å |
| 208 | A | 85.6 | Confident | 87.3 | Confident | 29 Ų | 29 | 42.9 Ų | 42.9 | 24% | 0.24 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.8 | -45 | -174 | 0 | 0 | 0 | 0 | 0 | 111.4 | D206 C211 R212 | D206-A208 PolarHBondContact OD2-N 3.46Å; D206-A208 VanDerWaalsContact OD2-N 3.12Å; A208-C211 PolarHBondContact O-N 2.99Å; A208-R212 WeakPolarHBondContact O-CG 3.4Å; A208-R212 PolarHBondContact O-N 3.04Å; A208-R212 VanDerWaalsContact O-N 3.1Å |
| 209 | T | 87.7 | Confident | 87.1 | Confident | 32 Ų | 32 | 42 Ų | 42 | 20% | 0.196 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.4 | -41.2 | 174 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | I204 D206 C211 R212 L213 | I204-T209 HydrophobicContact CG2-CG2 4.07Å; D206-T209 WeakPolarHBondContact OD2-CB 3.46Å; D206-T209 PolarHBondContact OD2-N 2.85Å; D206-T209 PolarHBondContact OD2-OG1 2.87Å; D206-T209 VanDerWaalsContact OD2-OG1 3.13Å; T209-C211 VanDerWaalsContact C-N 3.34Å; T209-C211 PolarHBondContact O-N 3.27Å; T209-R212 PolarHBondContact O-N 3.14Å; T209-L213 HydrophobicContact CG2-CD1 3.76Å; T209-L213 HydrophobicContact CG2-CG 4.23Å; T209-L213 WeakPolarHBondContact O-CB 3.46Å; T209-L213 VanDerWaalsContact O-CG 3.25Å; T209-L213 WeakPolarHBondContact O-CG 3.45Å; T209-L213 PolarHBondContact O-N 2.97Å |
| 210 | Y | 91 | Very high | 86.7 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.5 | -45.2 | 174.9 | -175.6 | -81.8 | 0 | 0 | 0 | 112.1 | V189 R190 L200 V201 I204 D206 L213 A214 | V189-Y210 HydrophobicContact CG1-CD1 4.29Å; V189-Y210 HydrophobicContact CG1-CE1 4.11Å; R190-Y210 HydrophobicContact CB-CE1 4.18Å; R190-Y210 HydrophobicContact CG-CD1 3.61Å; R190-Y210 HydrophobicContact CG-CD2 4.23Å; R190-Y210 HydrophobicContact CG-CE1 3.59Å; R190-Y210 HydrophobicContact CG-CE2 4.19Å; R190-Y210 HydrophobicContact CG-CG 3.96Å; L200-Y210 HydrophobicContact CB-CE2 3.92Å; L200-Y210 HydrophobicContact CD2-CD2 4.07Å; L200-Y210 HydrophobicContact CD2-CE2 3.6Å; L200-Y210 HydrophobicContact CG-CD2 4.04Å; L200-Y210 HydrophobicContact CG-CE2 3.64Å; V201-Y210 HydrophobicContact CB-CE2 4.35Å; V201-Y210 HydrophobicContact CG2-CE2 3.64Å; I204-Y210 HydrophobicContact CB-CD2 4.48Å; D206-Y210 WeakPolarHBondContact O-CB 3.34Å; D206-Y210 PolarHBondContact O-N 2.93Å; Y210-L213 PolarHBondContact O-N 3.39Å; Y210-A214 PolarHBondContact O-N 3.26Å |
| 211 | C | 89.2 | Confident | 86.2 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -44.3 | 178.4 | -64.4 | 0 | 0 | 0 | 0 | 112 | N207 A208 T209 L213 A214 Q215 S268 V271 V272 | N207-C211 PolarHBondContact O-N 3.34Å; N207-C211 PolarHBondContact O-SG 3.15Å; A208-C211 PolarHBondContact O-N 2.99Å; T209-C211 VanDerWaalsContact C-N 3.34Å; T209-C211 PolarHBondContact O-N 3.27Å; C211-L213 VanDerWaalsContact C-N 3.33Å; C211-L213 PolarHBondContact O-N 3.29Å; C211-A214 PolarHBondContact O-N 3.47Å; C211-Q215 PolarHBondContact O-N 2.97Å; C211-Q215 VanDerWaalsContact O-N 3.16Å; C211-Q215 PolarHBondContact O-NE2 3.17Å; C211-S268 VanDerWaalsContact C-OG 3.25Å; C211-S268 WeakPolarHBondContact CA-OG 3.36Å; C211-S268 WeakPolarHBondContact CB-OG 3.16Å; C211-S268 PolarHBondContact O-OG 2.96Å; C211-V271 HydrophobicContact CB-CG1 4.48Å; C211-V272 HydrophobicContact CB-CG2 3.96Å |
| 212 | R | 88.5 | Confident | 85.8 | Confident | 96 Ų | 96 | 52.6 Ų | 52.6 | 36% | 0.362 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60 | -41.8 | 175.4 | -71.1 | 174.3 | 173.4 | 175.9 | -5.2 | 112.4 | A208 T209 Q215 F216 L234 V272 | A208-R212 WeakPolarHBondContact O-CG 3.4Å; A208-R212 PolarHBondContact O-N 3.04Å; A208-R212 VanDerWaalsContact O-N 3.1Å; T209-R212 PolarHBondContact O-N 3.14Å; R212-Q215 PolarHBondContact O-N 2.87Å; R212-F216 PolarHBondContact O-N 3.39Å; R212-F216 VanDerWaalsContact O-N 3.12Å; R212-L234 HydrophobicContact CB-CD2 4.37Å; R212-V272 HydrophobicContact CG-CG1 4.37Å; R212-V272 HydrophobicContact CG-CG2 3.76Å |
| 213 | L | 87.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.9 | -41.4 | 177.3 | -68.3 | 169 | 0 | 0 | 0 | 111.7 | I204 T209 Y210 C211 Q215 F216 I217 L231 L234 T235 I244 | I204-L213 HydrophobicContact CD1-CD1 3.43Å; I204-L213 VanDerWaalsContact CD1-CD1 3.43Å; I204-L213 HydrophobicContact CG1-CD1 3.67Å; T209-L213 HydrophobicContact CG2-CD1 3.76Å; T209-L213 HydrophobicContact CG2-CG 4.23Å; T209-L213 WeakPolarHBondContact O-CB 3.46Å; T209-L213 VanDerWaalsContact O-CG 3.25Å; T209-L213 WeakPolarHBondContact O-CG 3.45Å; T209-L213 PolarHBondContact O-N 2.97Å; Y210-L213 PolarHBondContact O-N 3.39Å; C211-L213 VanDerWaalsContact C-N 3.33Å; C211-L213 PolarHBondContact O-N 3.29Å; L213-Q215 VanDerWaalsContact C-N 3.25Å; L213-Q215 PolarHBondContact O-N 3.06Å; L213-F216 PolarHBondContact O-N 2.92Å; L213-F216 VanDerWaalsContact O-N 3.1Å; L213-I217 HydrophobicContact CB-CD1 4.14Å; L213-I217 WeakPolarHBondContact O-CB 3.44Å; L213-I217 WeakPolarHBondContact O-CG1 3.44Å; L213-I217 PolarHBondContact O-N 3.3Å; L213-L231 HydrophobicContact CD2-CD2 3.55Å; L213-L234 HydrophobicContact CD2-CB 3.83Å; L213-L234 HydrophobicContact CD2-CD1 4.12Å; L213-T235 HydrophobicContact CD1-CG2 4.02Å; L213-T235 HydrophobicContact CD2-CG2 4.18Å; L213-I244 HydrophobicContact CD1-CD1 4.31Å |
| 214 | A | 87.1 | Confident | 84.8 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.2 | -35.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y193 Y210 C211 G218 | Y193-A214 HydrophobicContact CD1-CB 4.25Å; Y193-A214 HydrophobicContact CD2-CB 4.39Å; Y193-A214 HydrophobicContact CE1-CB 4.44Å; Y193-A214 HydrophobicContact CG-CB 4.22Å; Y210-A214 PolarHBondContact O-N 3.26Å; C211-A214 PolarHBondContact O-N 3.47Å; A214-G218 PolarHBondContact O-N 3.35Å |
| 215 | Q | 85.2 | Confident | 84.4 | Confident | 63 Ų | 63 | 53.2 Ų | 53.2 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -69.8 | -38.6 | 173.1 | -74.1 | 163.4 | 60.1 | 0 | 0 | 113.3 | C211 R212 L213 S268 | C211-Q215 PolarHBondContact O-N 2.97Å; C211-Q215 VanDerWaalsContact O-N 3.16Å; C211-Q215 PolarHBondContact O-NE2 3.17Å; R212-Q215 PolarHBondContact O-N 2.87Å; L213-Q215 VanDerWaalsContact C-N 3.25Å; L213-Q215 PolarHBondContact O-N 3.06Å; Q215-S268 PolarHBondContact NE2-O 3.32Å; Q215-S268 VanDerWaalsContact NE2-O 3.08Å; Q215-S268 PolarHBondContact NE2-OG 3.2Å |
| 216 | F | 85.4 | Confident | 83.9 | Confident | 58 Ų | 58 | 54.3 Ų | 54.3 | 25% | 0.254 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -82.2 | -35.1 | -175.6 | -179.7 | -103.4 | 0 | 0 | 0 | 113.3 | R212 L213 K227 K230 L231 L234 | R212-F216 PolarHBondContact O-N 3.39Å; R212-F216 VanDerWaalsContact O-N 3.12Å; L213-F216 PolarHBondContact O-N 2.92Å; L213-F216 VanDerWaalsContact O-N 3.1Å; F216-K227 HydrophobicContact CE1-CB 3.96Å; F216-K227 HydrophobicContact CE1-CD 4.43Å; F216-K227 HydrophobicContact CE1-CG 4.29Å; F216-K227 HydrophobicContact CZ-CB 4.11Å; F216-K227 HydrophobicContact CZ-CD 4.4Å; F216-K227 HydrophobicContact CZ-CG 4.07Å; F216-K230 HydrophobicContact CE1-CB 3.77Å; F216-K230 HydrophobicContact CE2-CB 3.94Å; F216-K230 HydrophobicContact CE2-CD 3.65Å; F216-K230 HydrophobicContact CE2-CG 4.44Å; F216-K230 HydrophobicContact CZ-CB 3.41Å; F216-K230 VanDerWaalsContact CZ-CB 3.41Å; F216-K230 HydrophobicContact CZ-CD 3.65Å; F216-K230 HydrophobicContact CZ-CG 4.15Å; F216-L231 HydrophobicContact CD1-CD2 3.77Å; F216-L231 HydrophobicContact CD1-CG 4.17Å; F216-L231 HydrophobicContact CE1-CD2 4.14Å; F216-L231 HydrophobicContact CE1-CG 4.02Å; F216-L234 HydrophobicContact CB-CD1 3.81Å; F216-L234 HydrophobicContact CD1-CD1 4.25Å; F216-L234 HydrophobicContact CG-CD1 3.98Å |
| 217 | I | 85.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.7 | -46.2 | 178.3 | -65.7 | 167.8 | 0 | 0 | 0 | 110 | Y193 F197 L200 L213 N219 L223 L231 I244 | Y193-I217 WeakPolarHBondContact OH-CG2 3.29Å; F197-I217 HydrophobicContact CE1-CD1 4.42Å; L200-I217 HydrophobicContact CD1-CD1 3.94Å; L200-I217 HydrophobicContact CD2-CD1 4.08Å; L213-I217 HydrophobicContact CB-CD1 4.14Å; L213-I217 WeakPolarHBondContact O-CB 3.44Å; L213-I217 WeakPolarHBondContact O-CG1 3.44Å; L213-I217 PolarHBondContact O-N 3.3Å; I217-N219 PolarHBondContact O-N 3.49Å; I217-L223 HydrophobicContact CG1-CD2 4.22Å; I217-L223 HydrophobicContact CG2-CD1 3.7Å; I217-L223 HydrophobicContact CG2-CD2 4.07Å; I217-L223 HydrophobicContact CG2-CG 3.91Å; I217-L231 HydrophobicContact CG1-CD2 4.08Å; I217-I244 HydrophobicContact CD1-CG2 4.2Å |
| 218 | G | 82.9 | Confident | 83 | Confident | 6 Ų | 6 | 53 Ų | 53 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | trans | 60.9 | -117.6 | -171 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y193 A214 E265 | Y193-G218 WeakPolarHBondContact CE2-O 3.45Å; Y193-G218 PolarHBondContact OH-O 2.97Å; A214-G218 PolarHBondContact O-N 3.35Å; G218-E265 WeakPolarHBondContact CA-OE1 3.34Å | ||
| 219 | N | 84 | Confident | 82.7 | Confident | 32 Ų | 32 | 58.8 Ų | 58.8 | 17% | 0.171 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -82.7 | 129 | 175.1 | -169.5 | -22.5 | 0 | 0 | 0 | 111.3 | I217 R221 E222 L261 | I217-N219 PolarHBondContact O-N 3.49Å; N219-R221 PolarHBondContact O-N 3.28Å; N219-R221 PolarHBondContact OD1-N 2.92Å; N219-E222 HydrophobicContact CB-CG 4.31Å; N219-E222 PolarHBondContact O-N 3.06Å; N219-L261 HydrophobicContact CB-CD2 4Å |
| 220 | R | 81.5 | Confident | 82.3 | Confident | 29 Ų | 29 | 62.8 Ų | 62.8 | 11% | 0.109 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -52.1 | -29.4 | 178.4 | 71.9 | -168.4 | 173.4 | 173.7 | 1.2 | 114.3 | H196 E222 L223 G253 D255 | H196-R220 VanDerWaalsContact CE1-CD 3.41Å; H196-R220 WeakPolarHBondContact CE1-CD 3.49Å; H196-R220 PolarHBondContact CE1-NE 3.05Å; H196-R220 WeakPolarHBondContact NE2-CG 3.46Å; H196-R220 PolarHBondContact NE2-N 2.93Å; H196-R220 PolarHBondContact O-NH1 2.94Å; H196-R220 VanDerWaalsContact O-NH1 3.16Å; R220-E222 PolarHBondContact O-N 3.23Å; R220-L223 PolarHBondContact O-N 3.45Å; R220-G253 VanDerWaalsContact CZ-O 3.26Å; R220-G253 VanDerWaalsContact NH1-CA 3.32Å; R220-G253 PolarHBondContact NH1-O 2.97Å; R220-G253 PolarHBondContact NH2-O 3.38Å; R220-D255 IonicContact CZ-OD1 2.66Å; R220-D255 IonicContact NE-OD1 3.94Å; R220-D255 PolarHBondContact NE-OD1 3.3Å; R220-D255 IonicContact NH2-OD1 2.74Å; R220-D255 PolarHBondContact NH2-OD1 2.81Å; R220-D255 IonicContact NH2-OD2 2.74Å |
| 221 | R | 79.4 | Confident | 81.8 | Confident | 175 Ų | 175 | 62.9 Ų | 62.9 | 66% | 0.66 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -71.6 | -17.2 | -178.5 | -63.4 | -179.5 | 176.9 | -146.6 | -1.7 | 113.3 | N219 D255 | N219-R221 PolarHBondContact O-N 3.28Å; N219-R221 PolarHBondContact OD1-N 2.92Å; R221-D255 IonicContact CZ-OD1 3.45Å; R221-D255 IonicContact CZ-OD2 3.62Å; R221-D255 IonicContact NE-OD1 3.21Å; R221-D255 PolarHBondContact NE-OD1 3.5Å; R221-D255 IonicContact NE-OD2 3.65Å; R221-D255 IonicContact NH2-OD1 2.81Å; R221-D255 PolarHBondContact NH2-OD1 3.22Å; R221-D255 IonicContact NH2-OD2 3.2Å; R221-D255 PolarHBondContact NH2-OD2 3.07Å |
| 222 | E | 79.7 | Confident | 81.5 | Confident | 112 Ų | 112 | 66.2 Ų | 66.2 | 52% | 0.523 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -97.6 | 14.6 | -179.1 | -60.1 | 177.3 | -162.7 | 0 | 0 | 112.6 | N219 R220 N224 K227 | N219-E222 HydrophobicContact CB-CG 4.31Å; N219-E222 PolarHBondContact O-N 3.06Å; R220-E222 PolarHBondContact O-N 3.23Å; E222-N224 PolarHBondContact O-N 3.42Å; E222-K227 WeakPolarHBondContact O-CD 3.45Å; E222-K227 VanDerWaalsContact O-CE 3.27Å; E222-K227 WeakPolarHBondContact O-CE 3.4Å; E222-K227 PolarHBondContact O-NZ 3.45Å |
| 223 | L | 76.4 | Confident | 81.3 | Confident | 15 Ų | 15 | 68.4 Ų | 68.4 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | trans | -84.1 | 91.6 | 176.8 | -79.7 | 171.7 | 0 | 0 | 0 | 111.6 | I217 R220 K227 L231 L245 | I217-L223 HydrophobicContact CG1-CD2 4.22Å; I217-L223 HydrophobicContact CG2-CD1 3.7Å; I217-L223 HydrophobicContact CG2-CD2 4.07Å; I217-L223 HydrophobicContact CG2-CG 3.91Å; R220-L223 PolarHBondContact O-N 3.45Å; L223-K227 HydrophobicContact CD2-CD 4.43Å; L223-L231 HydrophobicContact CD2-CD1 4.07Å; L223-L245 HydrophobicContact CB-CD1 4.32Å | ||
| 224 | N | 76.7 | Confident | 80.9 | Confident | 96 Ų | 96 | 71 Ų | 71 | 51% | 0.513 | 33% | 0.328 | S | S | . | . | trans | -92.5 | 161 | 170.1 | -66.2 | -10.4 | 0 | 0 | 0 | 111.5 | E222 E226 K227 | E222-N224 PolarHBondContact O-N 3.42Å; N224-E226 PolarHBondContact O-N 2.81Å; N224-K227 WeakPolarHBondContact O-CB 3.38Å; N224-K227 PolarHBondContact O-N 2.65Å | ||
| 225 | E | 77.5 | Confident | 80.3 | Confident | 122 Ų | 122 | 71.8 Ų | 71.8 | 57% | 0.57 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -60.5 | -26.9 | 176.1 | -73.4 | 170.8 | -166.3 | 0 | 0 | 112.8 | K227 L228 L245 R249 | E225-K227 PolarHBondContact O-N 3.11Å; E225-L228 WeakPolarHBondContact O-CB 3.46Å; E225-L228 PolarHBondContact O-N 3.47Å; E225-L245 HydrophobicContact CG-CD2 3.75Å; E225-R249 IonicContact OE1-CZ 3.65Å; E225-R249 IonicContact OE1-NH1 2.75Å; E225-R249 IonicContact OE1-NH2 3.37Å; E225-R249 PolarHBondContact OE1-NH2 3.28Å |
| 226 | E | 76.4 | Confident | 80 | Confident | 165 Ų | 165 | 76.9 Ų | 76.9 | 77% | 0.771 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -61.4 | -26.3 | 171.9 | -60 | 175.7 | 166.5 | 0 | 0 | 113.8 | N224 L228 | N224-E226 PolarHBondContact O-N 2.81Å; E226-L228 VanDerWaalsContact C-N 3.26Å |
| 227 | K | 76.9 | Confident | 79.8 | Confident | 52 Ų | 52 | 76.7 Ų | 76.7 | 23% | 0.226 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -79.8 | -9 | 174.8 | -72.5 | -175.3 | 179.3 | 172.5 | 0 | 112.2 | F216 E222 L223 N224 E225 E229 K230 L231 | F216-K227 HydrophobicContact CE1-CB 3.96Å; F216-K227 HydrophobicContact CE1-CD 4.43Å; F216-K227 HydrophobicContact CE1-CG 4.29Å; F216-K227 HydrophobicContact CZ-CB 4.11Å; F216-K227 HydrophobicContact CZ-CD 4.4Å; F216-K227 HydrophobicContact CZ-CG 4.07Å; E222-K227 WeakPolarHBondContact O-CD 3.45Å; E222-K227 VanDerWaalsContact O-CE 3.27Å; E222-K227 WeakPolarHBondContact O-CE 3.4Å; E222-K227 PolarHBondContact O-NZ 3.45Å; L223-K227 HydrophobicContact CD2-CD 4.43Å; N224-K227 WeakPolarHBondContact O-CB 3.38Å; N224-K227 PolarHBondContact O-N 2.65Å; E225-K227 PolarHBondContact O-N 3.11Å; K227-E229 PolarHBondContact O-N 2.9Å; K227-K230 PolarHBondContact O-N 3.29Å; K227-L231 WeakPolarHBondContact O-CG 3.38Å; K227-L231 PolarHBondContact O-N 2.95Å; K227-L231 VanDerWaalsContact O-N 3.13Å |
| 228 | L | 78 | Confident | 79.7 | Confident | 31 Ų | 31 | 78 Ų | 78 | 16% | 0.162 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | -176.1 | -170.2 | 70.5 | 0 | 0 | 0 | 111.8 | E225 E226 K230 L231 E232 A241 K242 | E225-L228 WeakPolarHBondContact O-CB 3.46Å; E225-L228 PolarHBondContact O-N 3.47Å; E226-L228 VanDerWaalsContact C-N 3.26Å; L228-K230 VanDerWaalsContact C-N 3.32Å; L228-K230 PolarHBondContact O-N 3.41Å; L228-L231 CarbonylContact O-C 3.55Å; L228-L231 WeakPolarHBondContact O-CA 3.35Å; L228-L231 WeakPolarHBondContact O-CB 3.47Å; L228-L231 PolarHBondContact O-N 3.26Å; L228-E232 HydrophobicContact CG-CG 4.39Å; L228-E232 WeakPolarHBondContact O-CG 3.43Å; L228-E232 PolarHBondContact O-N 2.74Å; L228-A241 HydrophobicContact CD1-CB 3.74Å; L228-K242 HydrophobicContact CD1-CG 4.28Å; L228-K242 HydrophobicContact CD2-CG 4.29Å |
| 229 | E | 79.7 | Confident | 79.8 | Confident | 149 Ų | 149 | 81.1 Ų | 81.1 | 70% | 0.696 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -54.4 | -46.9 | -179.6 | -61.6 | -179.2 | 166 | 0 | 0 | 111.9 | K227 L231 E232 E233 | K227-E229 PolarHBondContact O-N 2.9Å; E229-L231 PolarHBondContact O-N 2.73Å; E229-E232 WeakPolarHBondContact O-CB 3.29Å; E229-E232 PolarHBondContact O-N 3.27Å; E229-E233 PolarHBondContact O-N 2.88Å |
| 230 | K | 80.4 | Confident | 79.9 | Confident | 116 Ų | 116 | 83.4 Ų | 83.4 | 50% | 0.504 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -71.8 | -27.7 | 177.5 | -68.4 | 177.4 | -178.2 | 172.5 | 0 | 113.2 | F216 K227 L228 L234 | F216-K230 HydrophobicContact CE1-CB 3.77Å; F216-K230 HydrophobicContact CE2-CB 3.94Å; F216-K230 HydrophobicContact CE2-CD 3.65Å; F216-K230 HydrophobicContact CE2-CG 4.44Å; F216-K230 HydrophobicContact CZ-CB 3.41Å; F216-K230 VanDerWaalsContact CZ-CB 3.41Å; F216-K230 HydrophobicContact CZ-CD 3.65Å; F216-K230 HydrophobicContact CZ-CG 4.15Å; K227-K230 PolarHBondContact O-N 3.29Å; L228-K230 VanDerWaalsContact C-N 3.32Å; L228-K230 PolarHBondContact O-N 3.41Å; K230-L234 WeakPolarHBondContact O-CB 3.48Å; K230-L234 VanDerWaalsContact O-CG 3.3Å; K230-L234 WeakPolarHBondContact O-CG 3.41Å; K230-L234 PolarHBondContact O-N 3.28Å; K230-L234 VanDerWaalsContact O-N 3.13Å |
| 231 | L | 79.9 | Confident | 80.1 | Confident | 2 Ų | 2 | 82 Ų | 82 | 1% | 0.01 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 169.2 | -69.9 | 170.1 | 0 | 0 | 0 | 110.6 | L213 F216 I217 L223 K227 L228 E229 L234 T235 A241 | L213-L231 HydrophobicContact CD2-CD2 3.55Å; F216-L231 HydrophobicContact CD1-CD2 3.77Å; F216-L231 HydrophobicContact CD1-CG 4.17Å; F216-L231 HydrophobicContact CE1-CD2 4.14Å; F216-L231 HydrophobicContact CE1-CG 4.02Å; I217-L231 HydrophobicContact CG1-CD2 4.08Å; L223-L231 HydrophobicContact CD2-CD1 4.07Å; K227-L231 WeakPolarHBondContact O-CG 3.38Å; K227-L231 PolarHBondContact O-N 2.95Å; K227-L231 VanDerWaalsContact O-N 3.13Å; L228-L231 CarbonylContact O-C 3.55Å; L228-L231 WeakPolarHBondContact O-CA 3.35Å; L228-L231 WeakPolarHBondContact O-CB 3.47Å; L228-L231 PolarHBondContact O-N 3.26Å; E229-L231 PolarHBondContact O-N 2.73Å; L231-L234 PolarHBondContact O-N 2.99Å; L231-T235 WeakPolarHBondContact O-CB 3.46Å; L231-T235 WeakPolarHBondContact O-CG2 3.39Å; L231-T235 PolarHBondContact O-N 3.04Å; L231-T235 PolarHBondContact O-OG1 3.36Å; L231-A241 HydrophobicContact CB-CB 4.01Å |
| 232 | E | 82 | Confident | 80.4 | Confident | 70 Ų | 70 | 79.2 Ų | 79.2 | 33% | 0.327 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 175.7 | -66.1 | -167.4 | 162.7 | 0 | 0 | 111.8 | L228 E229 L234 M236 G238 A241 | L228-E232 HydrophobicContact CG-CG 4.39Å; L228-E232 WeakPolarHBondContact O-CG 3.43Å; L228-E232 PolarHBondContact O-N 2.74Å; E229-E232 WeakPolarHBondContact O-CB 3.29Å; E229-E232 PolarHBondContact O-N 3.27Å; E232-L234 PolarHBondContact O-N 3.37Å; E232-M236 WeakPolarHBondContact O-CA 3.31Å; E232-M236 PolarHBondContact O-N 2.97Å; E232-G238 WeakPolarHBondContact OE1-CA 3.22Å; E232-A241 HydrophobicContact CB-CB 4.39Å; E232-A241 HydrophobicContact CG-CB 3.41Å; E232-A241 VanDerWaalsContact CG-CB 3.41Å |
| 233 | E | 83.9 | Confident | 80.8 | Confident | 142 Ų | 142 | 75.8 Ų | 75.8 | 66% | 0.664 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.9 | -43.1 | 170.9 | -71 | 179.7 | 164.2 | 0 | 0 | 112.7 | E229 | E229-E233 PolarHBondContact O-N 2.88Å |
| 234 | L | 79.6 | Confident | 81.3 | Confident | 55 Ų | 55 | 75 Ų | 75 | 29% | 0.288 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -77.7 | -32.9 | -177.8 | -72.5 | 174.6 | 0 | 0 | 0 | 113.7 | R212 L213 F216 K230 L231 E232 | R212-L234 HydrophobicContact CB-CD2 4.37Å; L213-L234 HydrophobicContact CD2-CB 3.83Å; L213-L234 HydrophobicContact CD2-CD1 4.12Å; F216-L234 HydrophobicContact CB-CD1 3.81Å; F216-L234 HydrophobicContact CD1-CD1 4.25Å; F216-L234 HydrophobicContact CG-CD1 3.98Å; K230-L234 WeakPolarHBondContact O-CB 3.48Å; K230-L234 VanDerWaalsContact O-CG 3.3Å; K230-L234 WeakPolarHBondContact O-CG 3.41Å; K230-L234 PolarHBondContact O-N 3.28Å; K230-L234 VanDerWaalsContact O-N 3.13Å; L231-L234 PolarHBondContact O-N 2.99Å; E232-L234 PolarHBondContact O-N 3.37Å |
| 235 | T | 75.8 | Confident | 81.8 | Confident | 17 Ų | 17 | 71 Ų | 71 | 10% | 0.104 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -86.4 | -20.2 | 178 | 62 | 0 | 0 | 0 | 0 | 113.6 | L213 L231 D237 K240 I244 | L213-T235 HydrophobicContact CD1-CG2 4.02Å; L213-T235 HydrophobicContact CD2-CG2 4.18Å; L231-T235 WeakPolarHBondContact O-CB 3.46Å; L231-T235 WeakPolarHBondContact O-CG2 3.39Å; L231-T235 PolarHBondContact O-N 3.04Å; L231-T235 PolarHBondContact O-OG1 3.36Å; T235-D237 PolarHBondContact O-N 3.26Å; T235-D237 PolarHBondContact OG1-N 3.27Å; T235-D237 PolarHBondContact OG1-O 2.84Å; T235-K240 HydrophobicContact CG2-CB 4.37Å; T235-I244 HydrophobicContact CG2-CD1 3.94Å |
| 236 | M | 77.1 | Confident | 82.3 | Confident | 170 Ų | 170 | 69.6 Ų | 69.6 | 84% | 0.837 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 56.3 | 18.5 | -167.1 | -55.2 | -69.3 | -65 | 0 | 0 | 113.4 | E232 | E232-M236 WeakPolarHBondContact O-CA 3.31Å; E232-M236 PolarHBondContact O-N 2.97Å |
| 237 | D | 83 | Confident | 82.8 | Confident | 55 Ų | 55 | 62.3 Ų | 62.3 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | trans | -153.9 | 104.6 | -170.3 | -174.9 | -15.3 | 0 | 0 | 0 | 111.2 | T235 A239 K240 A241 | T235-D237 PolarHBondContact O-N 3.26Å; T235-D237 PolarHBondContact OG1-N 3.27Å; T235-D237 PolarHBondContact OG1-O 2.84Å; D237-A239 VanDerWaalsContact C-N 3.26Å; D237-A239 PolarHBondContact O-N 3.21Å; D237-A239 WeakPolarHBondContact OD1-CB 3.16Å; D237-A239 PolarHBondContact OD1-N 3.45Å; D237-K240 HydrophobicContact CB-CB 4.29Å; D237-K240 HydrophobicContact CB-CD 4.32Å; D237-K240 HydrophobicContact CB-CG 4.18Å; D237-K240 PolarHBondContact O-N 3.26Å; D237-K240 VanDerWaalsContact O-N 3.13Å; D237-K240 PolarHBondContact OD1-N 3.08Å; D237-K240 IonicContact OD2-NZ 3.22Å; D237-K240 PolarHBondContact OD2-NZ 3.48Å; D237-A241 PolarHBondContact O-N 2.82Å; D237-A241 VanDerWaalsContact O-N 3.1Å | ||
| 238 | G | 82.5 | Confident | 83.3 | Confident | 26 Ų | 26 | 60.6 Ų | 60.6 | 27% | 0.268 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.5 | -24.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | E232 K242 | E232-G238 WeakPolarHBondContact OE1-CA 3.22Å; G238-K242 WeakPolarHBondContact O-CG 3.11Å; G238-K242 PolarHBondContact O-N 2.97Å; G238-K242 VanDerWaalsContact O-N 3.13Å |
| 239 | A | 86.4 | Confident | 83.7 | Confident | 72 Ų | 72 | 66.8 Ų | 66.8 | 60% | 0.595 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -69.1 | -38.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | D237 A243 | D237-A239 VanDerWaalsContact C-N 3.26Å; D237-A239 PolarHBondContact O-N 3.21Å; D237-A239 WeakPolarHBondContact OD1-CB 3.16Å; D237-A239 PolarHBondContact OD1-N 3.45Å; A239-A243 WeakPolarHBondContact O-CB 3.41Å; A239-A243 PolarHBondContact O-N 3.49Å |
| 240 | K | 84.7 | Confident | 84 | Confident | 81 Ų | 81 | 63.4 Ų | 63.4 | 35% | 0.352 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.8 | -41.2 | 174.6 | -66.5 | -171.4 | -170.8 | 89.3 | 0 | 112.1 | I203 T235 D237 K242 A243 I244 | I203-K240 HydrophobicContact CG2-CB 4.18Å; I203-K240 HydrophobicContact CG2-CG 4.28Å; T235-K240 HydrophobicContact CG2-CB 4.37Å; D237-K240 HydrophobicContact CB-CB 4.29Å; D237-K240 HydrophobicContact CB-CD 4.32Å; D237-K240 HydrophobicContact CB-CG 4.18Å; D237-K240 PolarHBondContact O-N 3.26Å; D237-K240 VanDerWaalsContact O-N 3.13Å; D237-K240 PolarHBondContact OD1-N 3.08Å; D237-K240 IonicContact OD2-NZ 3.22Å; D237-K240 PolarHBondContact OD2-NZ 3.48Å; K240-K242 VanDerWaalsContact C-N 3.34Å; K240-K242 PolarHBondContact O-N 3.03Å; K240-A243 PolarHBondContact O-N 2.8Å; K240-I244 WeakPolarHBondContact O-CD1 3.14Å; K240-I244 WeakPolarHBondContact O-CG1 3.37Å; K240-I244 PolarHBondContact O-N 2.8Å |
| 241 | A | 85.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L228 L231 E232 D237 I244 L245 | L228-A241 HydrophobicContact CD1-CB 3.74Å; L231-A241 HydrophobicContact CB-CB 4.01Å; E232-A241 HydrophobicContact CB-CB 4.39Å; E232-A241 HydrophobicContact CG-CB 3.41Å; E232-A241 VanDerWaalsContact CG-CB 3.41Å; D237-A241 PolarHBondContact O-N 2.82Å; D237-A241 VanDerWaalsContact O-N 3.1Å; A241-I244 WeakPolarHBondContact O-CB 3.26Å; A241-I244 PolarHBondContact O-N 3.41Å; A241-L245 PolarHBondContact O-N 3.39Å |
| 242 | K | 85.7 | Confident | 84.5 | Confident | 115 Ų | 115 | 67 Ų | 67 | 50% | 0.5 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 173.8 | -69.5 | 174.2 | -175.9 | 177.9 | 0 | 112.2 | L228 G238 K240 I244 L245 D246 | L228-K242 HydrophobicContact CD1-CG 4.28Å; L228-K242 HydrophobicContact CD2-CG 4.29Å; G238-K242 WeakPolarHBondContact O-CG 3.11Å; G238-K242 PolarHBondContact O-N 2.97Å; G238-K242 VanDerWaalsContact O-N 3.13Å; K240-K242 VanDerWaalsContact C-N 3.34Å; K240-K242 PolarHBondContact O-N 3.03Å; K242-I244 PolarHBondContact O-N 3.04Å; K242-L245 WeakPolarHBondContact O-CB 3.27Å; K242-L245 PolarHBondContact O-N 3.04Å; K242-D246 PolarHBondContact O-N 3.48Å |
| 243 | A | 87.7 | Confident | 84.6 | Confident | 40 Ų | 40 | 64.5 Ų | 64.5 | 33% | 0.331 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.8 | -32.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | I203 A239 K240 A247 | I203-A243 HydrophobicContact CD1-CB 4.35Å; A239-A243 WeakPolarHBondContact O-CB 3.41Å; A239-A243 PolarHBondContact O-N 3.49Å; K240-A243 PolarHBondContact O-N 2.8Å; A243-A247 WeakPolarHBondContact O-CB 3.32Å; A243-A247 PolarHBondContact O-N 3.04Å |
| 244 | I | 87.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.4 | -40 | 173.9 | -68 | 160.5 | 0 | 0 | 0 | 111 | F197 L200 I203 I204 L213 I217 T235 K240 A241 K242 A247 S248 | F197-I244 HydrophobicContact CE1-CG2 4.04Å; F197-I244 HydrophobicContact CZ-CG2 4.31Å; L200-I244 HydrophobicContact CD1-CD1 4.29Å; L200-I244 HydrophobicContact CD1-CG1 4.03Å; L200-I244 HydrophobicContact CD1-CG2 4.13Å; I203-I244 HydrophobicContact CD1-CG1 4.09Å; I203-I244 HydrophobicContact CG2-CG1 4.05Å; I204-I244 HydrophobicContact CD1-CD1 3.86Å; I204-I244 HydrophobicContact CD1-CG1 4.28Å; L213-I244 HydrophobicContact CD1-CD1 4.31Å; I217-I244 HydrophobicContact CD1-CG2 4.2Å; T235-I244 HydrophobicContact CG2-CD1 3.94Å; K240-I244 WeakPolarHBondContact O-CD1 3.14Å; K240-I244 WeakPolarHBondContact O-CG1 3.37Å; K240-I244 PolarHBondContact O-N 2.8Å; A241-I244 WeakPolarHBondContact O-CB 3.26Å; A241-I244 PolarHBondContact O-N 3.41Å; K242-I244 PolarHBondContact O-N 3.04Å; I244-A247 PolarHBondContact O-N 2.75Å; I244-S248 PolarHBondContact O-N 3.42Å |
| 245 | L | 86.1 | Confident | 85.1 | Confident | 11 Ų | 11 | 64.7 Ų | 64.7 | 6% | 0.058 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69 | -42.3 | 176.9 | -172.8 | 70.5 | 0 | 0 | 0 | 112.1 | L223 E225 A241 K242 A247 S248 R249 | L223-L245 HydrophobicContact CB-CD1 4.32Å; E225-L245 HydrophobicContact CG-CD2 3.75Å; A241-L245 PolarHBondContact O-N 3.39Å; K242-L245 WeakPolarHBondContact O-CB 3.27Å; K242-L245 PolarHBondContact O-N 3.04Å; L245-A247 VanDerWaalsContact C-N 3.34Å; L245-S248 PolarHBondContact O-N 3.28Å; L245-S248 PolarHBondContact O-OG 3.28Å; L245-R249 WeakPolarHBondContact O-CG 3.48Å; L245-R249 PolarHBondContact O-N 2.96Å; L245-R249 VanDerWaalsContact O-N 3.13Å |
| 246 | D | 88.2 | Confident | 85.6 | Confident | 93 Ų | 93 | 65.4 Ų | 65.4 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.8 | -36.8 | 175.2 | -66.9 | -31.4 | 0 | 0 | 0 | 111.3 | K242 S250 | K242-D246 PolarHBondContact O-N 3.48Å; D246-S250 WeakPolarHBondContact O-CB 3.46Å; D246-S250 PolarHBondContact O-N 3.36Å; D246-S250 VanDerWaalsContact O-N 3.13Å; D246-S250 PolarHBondContact O-OG 3.19Å |
| 247 | A | 88.3 | Confident | 86.1 | Confident | 11 Ų | 11 | 60 Ų | 60 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.3 | -35.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F197 E199 I203 A243 I244 L245 S250 S251 | F197-A247 HydrophobicContact CE2-CB 3.89Å; F197-A247 HydrophobicContact CZ-CB 3.91Å; E199-A247 HydrophobicContact CB-CB 3.86Å; E199-A247 HydrophobicContact CG-CB 4.43Å; I203-A247 HydrophobicContact CD1-CB 3.76Å; A243-A247 WeakPolarHBondContact O-CB 3.32Å; A243-A247 PolarHBondContact O-N 3.04Å; I244-A247 PolarHBondContact O-N 2.75Å; L245-A247 VanDerWaalsContact C-N 3.34Å; A247-S250 WeakPolarHBondContact CA-OG 3.34Å; A247-S250 CarbonylContact O-C 3.51Å; A247-S250 PolarHBondContact O-N 3.36Å; A247-S250 PolarHBondContact O-OG 3.01Å; A247-S251 WeakPolarHBondContact O-CA 3.42Å; A247-S251 VanDerWaalsContact O-CB 3.29Å; A247-S251 WeakPolarHBondContact O-CB 3.24Å; A247-S251 PolarHBondContact O-N 2.84Å |
| 248 | S | 86.5 | Confident | 86.4 | Confident | 17 Ų | 17 | 60.6 Ų | 60.6 | 12% | 0.119 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.9 | -38.1 | 177.2 | 73.1 | 0 | 0 | 0 | 0 | 111.8 | I244 L245 S250 S251 | I244-S248 PolarHBondContact O-N 3.42Å; L245-S248 PolarHBondContact O-N 3.28Å; L245-S248 PolarHBondContact O-OG 3.28Å; S248-S250 VanDerWaalsContact C-N 3.26Å; S248-S250 PolarHBondContact O-N 2.84Å; S248-S251 PolarHBondContact O-N 3.22Å |
| 249 | R | 85.8 | Confident | 86.8 | Confident | 161 Ų | 161 | 65 Ų | 65 | 61% | 0.608 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.8 | -27.6 | 172.6 | -71.9 | 173.8 | 174.6 | 174.2 | -1 | 113.4 | E225 L245 | E225-R249 IonicContact OE1-CZ 3.65Å; E225-R249 IonicContact OE1-NH1 2.75Å; E225-R249 IonicContact OE1-NH2 3.37Å; E225-R249 PolarHBondContact OE1-NH2 3.28Å; L245-R249 WeakPolarHBondContact O-CG 3.48Å; L245-R249 PolarHBondContact O-N 2.96Å; L245-R249 VanDerWaalsContact O-N 3.13Å |
| 250 | S | 87 | Confident | 87 | Confident | 78 Ų | 78 | 64.8 Ų | 64.8 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -106.3 | 2.3 | -179.5 | 55.4 | 0 | 0 | 0 | 0 | 114.6 | D246 A247 S248 M252 | D246-S250 WeakPolarHBondContact O-CB 3.46Å; D246-S250 PolarHBondContact O-N 3.36Å; D246-S250 VanDerWaalsContact O-N 3.13Å; D246-S250 PolarHBondContact O-OG 3.19Å; A247-S250 WeakPolarHBondContact CA-OG 3.34Å; A247-S250 CarbonylContact O-C 3.51Å; A247-S250 PolarHBondContact O-N 3.36Å; A247-S250 PolarHBondContact O-OG 3.01Å; S248-S250 VanDerWaalsContact C-N 3.26Å; S248-S250 PolarHBondContact O-N 2.84Å; S250-M252 PolarHBondContact O-N 2.97Å |
| 251 | S | 86.4 | Confident | 87.2 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 12% | 0.119 | 34% | 0.339 | C | S | . | . | trans | -70.3 | 129.7 | -173 | -173.6 | 0 | 0 | 0 | 0 | 112.4 | E199 A247 S248 G253 | E199-S251 WeakPolarHBondContact OE2-CB 3.41Å; E199-S251 PolarHBondContact OE2-OG 2.84Å; A247-S251 WeakPolarHBondContact O-CA 3.42Å; A247-S251 VanDerWaalsContact O-CB 3.29Å; A247-S251 WeakPolarHBondContact O-CB 3.24Å; A247-S251 PolarHBondContact O-N 2.84Å; S248-S251 PolarHBondContact O-N 3.22Å; S251-G253 PolarHBondContact OG-N 3.08Å | ||
| 252 | M | 84.4 | Confident | 87.5 | Confident | 177 Ų | 177 | 66.5 Ų | 66.5 | 87% | 0.872 | 36% | 0.363 | S | S | * | . | trans | -100.6 | 12.9 | 178.2 | -61.8 | -71.4 | -92.8 | 0 | 0 | 112.6 | S250 | S250-M252 PolarHBondContact O-N 2.97Š| ||
| 253 | G | 84.8 | Confident | 87.7 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 17% | 0.165 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 174 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R220 S251 | R220-G253 VanDerWaalsContact CZ-O 3.26Å; R220-G253 VanDerWaalsContact NH1-CA 3.32Å; R220-G253 PolarHBondContact NH1-O 2.97Å; R220-G253 PolarHBondContact NH2-O 3.38Å; S251-G253 PolarHBondContact OG-N 3.08Å |
| 254 | M | 86.8 | Confident | 87.9 | Confident | 127 Ų | 127 | 62.7 Ų | 62.7 | 63% | 0.626 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 141.6 | 178 | -170.1 | 172 | 68.8 | 0 | 0 | 111.3 | Y195 H196 | Y195-M254 PolarHBondContact O-N 2.79Å; H196-M254 WeakPolarHBondContact CA-O 3.34Å; H196-M254 PolarHBondContact ND1-O 3.49Å |
| 255 | D | 86.5 | Confident | 88.1 | Confident | 75 Ų | 75 | 65.6 Ų | 65.6 | 40% | 0.401 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 130 | 167.9 | -69.8 | -58.8 | 0 | 0 | 0 | 110.1 | R220 R221 | R220-D255 IonicContact CZ-OD1 2.66Å; R220-D255 IonicContact NE-OD1 3.94Å; R220-D255 PolarHBondContact NE-OD1 3.3Å; R220-D255 IonicContact NH2-OD1 2.74Å; R220-D255 PolarHBondContact NH2-OD1 2.81Å; R220-D255 IonicContact NH2-OD2 2.74Å; R221-D255 IonicContact CZ-OD1 3.45Å; R221-D255 IonicContact CZ-OD2 3.62Å; R221-D255 IonicContact NE-OD1 3.21Å; R221-D255 PolarHBondContact NE-OD1 3.5Å; R221-D255 IonicContact NE-OD2 3.65Å; R221-D255 IonicContact NH2-OD1 2.81Å; R221-D255 PolarHBondContact NH2-OD1 3.22Å; R221-D255 IonicContact NH2-OD2 3.2Å; R221-D255 PolarHBondContact NH2-OD2 3.07Å |
| 256 | I | 84.9 | Confident | 88.3 | Confident | 31 Ų | 31 | 68.5 Ų | 68.5 | 16% | 0.159 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -95.7 | 146.7 | -174.3 | -166.2 | 162.7 | 0 | 0 | 0 | 111.7 | H196 D260 L261 I264 | H196-I256 HydrophobicContact CB-CB 4.36Å; H196-I256 HydrophobicContact CB-CG2 4.48Å; I256-D260 HydrophobicContact CD1-CB 3.94Å; I256-D260 HydrophobicContact CG1-CB 3.71Å; I256-L261 HydrophobicContact CG2-CB 4.23Å; I256-L261 HydrophobicContact CG2-CD1 4.43Å; I256-I264 HydrophobicContact CD1-CD1 3.41Å; I256-I264 VanDerWaalsContact CD1-CD1 3.41Å |
| 257 | S | 89.6 | Confident | 88.5 | Confident | 57 Ų | 57 | 66.4 Ų | 66.4 | 40% | 0.399 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 145.6 | 171.2 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | I259 D260 L261 | S257-I259 PolarHBondContact O-N 3.33Å; S257-I259 PolarHBondContact OG-N 3.01Å; S257-D260 WeakPolarHBondContact CB-OD2 3.27Å; S257-D260 PolarHBondContact O-N 3.23Å; S257-D260 VanDerWaalsContact O-N 3.12Å; S257-L261 PolarHBondContact O-N 2.93Å |
| 258 | A | 88 | Confident | 88.7 | Confident | 68 Ų | 68 | 65.9 Ų | 65.9 | 56% | 0.562 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58 | -33.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L261 I262 | A258-L261 PolarHBondContact O-N 2.94Å; A258-I262 WeakPolarHBondContact O-CD1 3.23Å; A258-I262 VanDerWaalsContact O-CG1 3.24Å; A258-I262 WeakPolarHBondContact O-CG1 3.27Å; A258-I262 PolarHBondContact O-N 2.84Å |
| 259 | I | 90.7 | Very high | 89 | Confident | 117 Ų | 117 | 68 Ų | 68 | 60% | 0.6 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.3 | -43.7 | 177.4 | -59.9 | 172.5 | 0 | 0 | 0 | 110.6 | S257 I262 N263 | S257-I259 PolarHBondContact O-N 3.33Å; S257-I259 PolarHBondContact OG-N 3.01Å; I259-I262 PolarHBondContact O-N 3.08Å; I259-N263 PolarHBondContact O-N 3.46Å; I259-N263 PolarHBondContact O-ND2 2.93Å; I259-N263 VanDerWaalsContact O-ND2 3.1Å |
| 260 | D | 90.6 | Very high | 89.3 | Confident | 69 Ų | 69 | 67.9 Ų | 67.9 | 37% | 0.369 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.1 | -36.4 | 179.2 | -63.1 | -41.7 | 0 | 0 | 0 | 111.4 | I256 S257 N263 I264 | I256-D260 HydrophobicContact CD1-CB 3.94Å; I256-D260 HydrophobicContact CG1-CB 3.71Å; S257-D260 WeakPolarHBondContact CB-OD2 3.27Å; S257-D260 PolarHBondContact O-N 3.23Å; S257-D260 VanDerWaalsContact O-N 3.12Å; D260-N263 WeakPolarHBondContact O-CB 3.33Å; D260-N263 PolarHBondContact O-N 3.46Å; D260-I264 WeakPolarHBondContact O-CG1 3.47Å; D260-I264 PolarHBondContact O-N 3.1Å |
| 261 | L | 89.5 | Confident | 89.6 | Confident | 18 Ų | 18 | 64.3 Ų | 64.3 | 9% | 0.094 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.5 | -47.8 | 174.1 | -175.5 | 63.2 | 0 | 0 | 0 | 111.7 | Y193 N219 I256 S257 A258 N263 I264 E265 | Y193-L261 HydrophobicContact CE2-CD1 4.21Å; N219-L261 HydrophobicContact CB-CD2 4Å; I256-L261 HydrophobicContact CG2-CB 4.23Å; I256-L261 HydrophobicContact CG2-CD1 4.43Å; S257-L261 PolarHBondContact O-N 2.93Å; A258-L261 PolarHBondContact O-N 2.94Å; L261-N263 PolarHBondContact O-N 2.88Å; L261-I264 PolarHBondContact O-N 3.36Å; L261-I264 VanDerWaalsContact O-N 3.08Å; L261-E265 HydrophobicContact CD1-CG 4.43Å; L261-E265 HydrophobicContact CG-CG 4.43Å; L261-E265 WeakPolarHBondContact CG-OE1 3.4Å; L261-E265 WeakPolarHBondContact O-CG 3.48Å; L261-E265 PolarHBondContact O-N 3.04Å |
| 262 | I | 91.6 | Very high | 89.9 | Confident | 98 Ų | 98 | 64.2 Ų | 64.2 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.7 | -38.8 | 175.3 | -69.8 | 162.2 | 0 | 0 | 0 | 111.3 | A258 I259 S266 | A258-I262 WeakPolarHBondContact O-CD1 3.23Å; A258-I262 VanDerWaalsContact O-CG1 3.24Å; A258-I262 WeakPolarHBondContact O-CG1 3.27Å; A258-I262 PolarHBondContact O-N 2.84Å; I259-I262 PolarHBondContact O-N 3.08Å; I262-S266 VanDerWaalsContact O-CB 3.25Å; I262-S266 WeakPolarHBondContact O-CB 3.41Å; I262-S266 PolarHBondContact O-N 3.48Å; I262-S266 PolarHBondContact O-OG 2.98Å |
| 263 | N | 91.3 | Very high | 90.3 | Very high | 74 Ų | 74 | 57.8 Ų | 57.8 | 40% | 0.396 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 176.6 | -71.8 | -39.1 | 0 | 0 | 0 | 112.2 | W192 I259 D260 L261 F267 | W192-N263 HydrophobicContact CH2-CB 3.89Å; W192-N263 HydrophobicContact CZ2-CB 4.06Å; I259-N263 PolarHBondContact O-N 3.46Å; I259-N263 PolarHBondContact O-ND2 2.93Å; I259-N263 VanDerWaalsContact O-ND2 3.1Å; D260-N263 WeakPolarHBondContact O-CB 3.33Å; D260-N263 PolarHBondContact O-N 3.46Å; L261-N263 PolarHBondContact O-N 2.88Å; N263-F267 WeakPolarHBondContact O-CB 3.44Å; N263-F267 PolarHBondContact O-N 3.21Å |
| 264 | I | 91.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 175.8 | -66 | 170.3 | 0 | 0 | 0 | 111.3 | W192 Y193 I256 D260 L261 S266 F267 S268 | W192-I264 HydrophobicContact CB-CD1 4.43Å; W192-I264 HydrophobicContact CB-CG1 4.43Å; W192-I264 HydrophobicContact CD2-CD1 4.16Å; W192-I264 HydrophobicContact CD2-CG1 3.52Å; W192-I264 HydrophobicContact CE3-CG1 4.01Å; W192-I264 HydrophobicContact CG-CD1 3.82Å; W192-I264 HydrophobicContact CG-CG1 3.7Å; W192-I264 HydrophobicContact CZ2-CG1 4.17Å; Y193-I264 HydrophobicContact CD2-CD1 4.41Å; Y193-I264 HydrophobicContact CD2-CG2 3.96Å; I256-I264 HydrophobicContact CD1-CD1 3.41Å; I256-I264 VanDerWaalsContact CD1-CD1 3.41Å; D260-I264 WeakPolarHBondContact O-CG1 3.47Å; D260-I264 PolarHBondContact O-N 3.1Å; L261-I264 PolarHBondContact O-N 3.36Å; L261-I264 VanDerWaalsContact O-N 3.08Å; I264-S266 PolarHBondContact O-N 2.91Å; I264-F267 PolarHBondContact O-N 2.88Å; I264-S268 VanDerWaalsContact O-CB 3.23Å; I264-S268 WeakPolarHBondContact O-CB 3.28Å; I264-S268 PolarHBondContact O-N 3.3Å |
| 265 | E | 90.9 | Very high | 91 | Very high | 61 Ų | 61 | 53.1 Ų | 53.1 | 29% | 0.285 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 176.4 | -73.8 | 174.3 | -176.3 | 0 | 0 | 111 | G218 L261 F267 S268 S269 | G218-E265 WeakPolarHBondContact CA-OE1 3.34Å; L261-E265 HydrophobicContact CD1-CG 4.43Å; L261-E265 HydrophobicContact CG-CG 4.43Å; L261-E265 WeakPolarHBondContact CG-OE1 3.4Å; L261-E265 WeakPolarHBondContact O-CG 3.48Å; L261-E265 PolarHBondContact O-N 3.04Å; E265-F267 PolarHBondContact O-N 3.45Å; E265-S268 PolarHBondContact O-N 3.13Å; E265-S269 VanDerWaalsContact O-CB 3.27Å; E265-S269 WeakPolarHBondContact O-CB 3.42Å; E265-S269 PolarHBondContact O-N 3.08Å |
| 266 | S | 91.5 | Very high | 91.3 | Very high | 72 Ų | 72 | 54.3 Ų | 54.3 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 175.7 | -62 | 0 | 0 | 0 | 0 | 112.3 | I262 I264 R270 | I262-S266 VanDerWaalsContact O-CB 3.25Å; I262-S266 WeakPolarHBondContact O-CB 3.41Å; I262-S266 PolarHBondContact O-N 3.48Å; I262-S266 PolarHBondContact O-OG 2.98Å; I264-S266 PolarHBondContact O-N 2.91Å; S266-R270 PolarHBondContact O-N 3.44Å |
| 267 | F | 92.3 | Very high | 91.7 | Very high | 50 Ų | 50 | 58.2 Ų | 58.2 | 22% | 0.219 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.9 | -40.9 | 178.3 | -175.7 | -122.2 | 0 | 0 | 0 | 111.9 | F185 R188 V189 W192 N263 I264 E265 R270 V271 | F185-F267 HydrophobicContact CB-CE1 4.43Å; F185-F267 HydrophobicContact CB-CE2 4.37Å; F185-F267 HydrophobicContact CB-CZ 3.72Å; F185-F267 HydrophobicContact CD1-CE2 4.3Å; F185-F267 AromaticContact CD1-CZ 3.93Å; F185-F267 HydrophobicContact CD1-CZ 3.93Å; F185-F267 HydrophobicContact CG-CE2 4.28Å; F185-F267 AromaticContact CG-CZ 3.96Å; F185-F267 HydrophobicContact CG-CZ 3.96Å; R188-F267 HydrophobicContact CB-CE1 3.9Å; R188-F267 HydrophobicContact CB-CZ 4.25Å; R188-F267 HydrophobicContact CG-CE1 3.82Å; R188-F267 HydrophobicContact CG-CZ 4.21Å; V189-F267 HydrophobicContact CG2-CD1 3.47Å; V189-F267 VanDerWaalsContact CG2-CD1 3.47Å; V189-F267 HydrophobicContact CG2-CE1 3.57Å; V189-F267 HydrophobicContact CG2-CG 4.48Å; W192-F267 HydrophobicContact CE3-CD1 4.18Å; W192-F267 HydrophobicContact CZ3-CB 4.27Å; W192-F267 HydrophobicContact CZ3-CD1 4.22Å; W192-F267 HydrophobicContact CZ3-CG 4.37Å; N263-F267 WeakPolarHBondContact O-CB 3.44Å; N263-F267 PolarHBondContact O-N 3.21Å; I264-F267 PolarHBondContact O-N 2.88Å; E265-F267 PolarHBondContact O-N 3.45Å; F267-R270 WeakPolarHBondContact O-CB 3.12Å; F267-R270 PolarHBondContact O-N 3.4Å; F267-V271 WeakPolarHBondContact O-CG2 3.05Å; F267-V271 PolarHBondContact O-N 3.09Å |
| 268 | S | 92.1 | Very high | 92 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 175.2 | -176 | 0 | 0 | 0 | 0 | 112 | C211 Q215 I264 E265 R270 V271 V272 | C211-S268 VanDerWaalsContact C-OG 3.25Å; C211-S268 WeakPolarHBondContact CA-OG 3.36Å; C211-S268 WeakPolarHBondContact CB-OG 3.16Å; C211-S268 PolarHBondContact O-OG 2.96Å; Q215-S268 PolarHBondContact NE2-O 3.32Å; Q215-S268 VanDerWaalsContact NE2-O 3.08Å; Q215-S268 PolarHBondContact NE2-OG 3.2Å; I264-S268 VanDerWaalsContact O-CB 3.23Å; I264-S268 WeakPolarHBondContact O-CB 3.28Å; I264-S268 PolarHBondContact O-N 3.3Å; E265-S268 PolarHBondContact O-N 3.13Å; S268-R270 PolarHBondContact O-N 3.46Å; S268-V271 PolarHBondContact O-N 2.9Å; S268-V272 PolarHBondContact O-N 3.2Å |
| 269 | S | 92.1 | Very high | 92.2 | Very high | 60 Ų | 60 | 62.1 Ų | 62.1 | 42% | 0.42 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56 | -42 | 173.1 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | E265 V271 V272 S273 | E265-S269 VanDerWaalsContact O-CB 3.27Å; E265-S269 WeakPolarHBondContact O-CB 3.42Å; E265-S269 PolarHBondContact O-N 3.08Å; S269-V271 PolarHBondContact O-N 3.44Å; S269-V272 PolarHBondContact O-N 3.05Å; S269-S273 PolarHBondContact O-N 3.29Å |
| 270 | R | 92.3 | Very high | 92.5 | Very high | 159 Ų | 159 | 60.2 Ų | 60.2 | 60% | 0.6 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61.1 | -44.3 | 174 | -167.9 | 55.2 | 164.5 | 174.6 | -5.2 | 112.3 | S266 F267 S268 S273 L274 | S266-R270 PolarHBondContact O-N 3.44Å; F267-R270 WeakPolarHBondContact O-CB 3.12Å; F267-R270 PolarHBondContact O-N 3.4Å; S268-R270 PolarHBondContact O-N 3.46Å; R270-S273 PolarHBondContact O-N 2.97Å; R270-S273 PolarHBondContact O-OG 3.35Å; R270-L274 HydrophobicContact CG-CD1 4.44Å; R270-L274 WeakPolarHBondContact O-CG 3.45Å; R270-L274 PolarHBondContact O-N 2.93Å |
| 271 | V | 93.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 176.5 | 177.6 | 0 | 0 | 0 | 0 | 112.1 | F185 V189 C211 F267 S268 S269 L274 S275 | F185-V271 HydrophobicContact CB-CG2 3.52Å; F185-V271 HydrophobicContact CG-CG2 4.5Å; V189-V271 HydrophobicContact CG2-CG2 4.08Å; C211-V271 HydrophobicContact CB-CG1 4.48Å; F267-V271 WeakPolarHBondContact O-CG2 3.05Å; F267-V271 PolarHBondContact O-N 3.09Å; S268-V271 PolarHBondContact O-N 2.9Å; S269-V271 PolarHBondContact O-N 3.44Å; V271-L274 PolarHBondContact O-N 3Å; V271-S275 PolarHBondContact O-N 3.41Å |
| 272 | V | 92.2 | Very high | 92.9 | Very high | 15 Ų | 15 | 60.5 Ų | 60.5 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64 | -44.8 | 176.2 | 173.4 | 0 | 0 | 0 | 0 | 111 | C211 R212 S268 S269 L274 S275 E276 | C211-V272 HydrophobicContact CB-CG2 3.96Å; R212-V272 HydrophobicContact CG-CG1 4.37Å; R212-V272 HydrophobicContact CG-CG2 3.76Å; S268-V272 PolarHBondContact O-N 3.2Å; S269-V272 PolarHBondContact O-N 3.05Å; V272-L274 VanDerWaalsContact C-N 3.27Å; V272-L274 PolarHBondContact O-N 3.35Å; V272-S275 WeakPolarHBondContact O-CB 3.41Å; V272-S275 PolarHBondContact O-N 3.03Å; V272-E276 PolarHBondContact O-N 2.91Å |
| 273 | S | 93.4 | Very high | 93.1 | Very high | 42 Ų | 42 | 60.3 Ų | 60.3 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.5 | -34 | 175.9 | 77.1 | 0 | 0 | 0 | 0 | 113.1 | S269 R270 Y277 | S269-S273 PolarHBondContact O-N 3.29Å; R270-S273 PolarHBondContact O-N 2.97Å; R270-S273 PolarHBondContact O-OG 3.35Å; S273-Y277 VanDerWaalsContact O-CB 3.32Å; S273-Y277 WeakPolarHBondContact O-CB 3.36Å; S273-Y277 PolarHBondContact O-N 3.43Å |
| 274 | L | 93.9 | Very high | 93.2 | Very high | 29 Ų | 29 | 61.3 Ų | 61.3 | 15% | 0.152 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.8 | -36.9 | 174.5 | -72.1 | 170.7 | 0 | 0 | 0 | 112 | L178 I182 F185 R270 V271 V272 Y277 R278 | L178-L274 HydrophobicContact CD2-CD2 4.06Å; I182-L274 HydrophobicContact CD1-CB 4.46Å; I182-L274 HydrophobicContact CG1-CB 4.08Å; F185-L274 HydrophobicContact CD2-CD1 3.96Å; F185-L274 HydrophobicContact CE2-CD1 3.99Å; R270-L274 HydrophobicContact CG-CD1 4.44Å; R270-L274 WeakPolarHBondContact O-CG 3.45Å; R270-L274 PolarHBondContact O-N 2.93Å; V271-L274 PolarHBondContact O-N 3Å; V272-L274 VanDerWaalsContact C-N 3.27Å; V272-L274 PolarHBondContact O-N 3.35Å; L274-Y277 PolarHBondContact O-N 3.2Å; L274-R278 WeakPolarHBondContact O-CB 3.35Å; L274-R278 PolarHBondContact O-N 3.38Å |
| 275 | S | 92.1 | Very high | 93.3 | Very high | 16 Ų | 16 | 61.3 Ų | 61.3 | 11% | 0.112 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64 | -41.9 | 174.6 | -168.4 | 0 | 0 | 0 | 0 | 112 | V271 V272 R278 Q279 | V271-S275 PolarHBondContact O-N 3.41Å; V272-S275 WeakPolarHBondContact O-CB 3.41Å; V272-S275 PolarHBondContact O-N 3.03Å; S275-R278 WeakPolarHBondContact O-CB 3.31Å; S275-R278 PolarHBondContact O-N 3.07Å; S275-Q279 WeakPolarHBondContact O-CG 3.49Å; S275-Q279 PolarHBondContact O-N 2.66Å; S275-Q279 VanDerWaalsContact O-N 3.16Å |
| 276 | E | 92.7 | Very high | 93.4 | Very high | 100 Ų | 100 | 65.4 Ų | 65.4 | 47% | 0.467 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67 | -43.8 | 174 | -70.3 | 170.8 | -175 | 0 | 0 | 111.9 | V272 R278 Q279 S280 | V272-E276 PolarHBondContact O-N 2.91Å; E276-R278 VanDerWaalsContact C-N 3.29Å; E276-R278 PolarHBondContact O-N 3.49Å; E276-Q279 PolarHBondContact O-N 2.97Å; E276-Q279 VanDerWaalsContact O-N 3.17Å; E276-S280 PolarHBondContact O-N 3.02Å |
| 277 | Y | 94.6 | Very high | 93.5 | Very high | 113 Ų | 113 | 65.1 Ų | 65.1 | 44% | 0.443 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.5 | -39.6 | 174.4 | -179.2 | -114 | 0 | 0 | 0 | 112.2 | L174 L178 S273 L274 Q279 S280 L281 | L174-Y277 HydrophobicContact CD2-CE1 4.32Å; L178-Y277 HydrophobicContact CD1-CD1 3.79Å; L178-Y277 HydrophobicContact CD1-CE1 3.88Å; S273-Y277 VanDerWaalsContact O-CB 3.32Å; S273-Y277 WeakPolarHBondContact O-CB 3.36Å; S273-Y277 PolarHBondContact O-N 3.43Å; L274-Y277 PolarHBondContact O-N 3.2Å; Y277-Q279 PolarHBondContact O-N 2.89Å; Y277-S280 WeakPolarHBondContact O-CB 3.49Å; Y277-S280 PolarHBondContact O-N 3.29Å; Y277-L281 WeakPolarHBondContact O-CB 3.21Å; Y277-L281 PolarHBondContact O-N 2.67Å |
| 278 | R | 94.4 | Very high | 93.4 | Very high | 96 Ų | 96 | 65 Ų | 65 | 36% | 0.362 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 174.3 | -178.6 | -129.2 | -175.7 | -156.9 | 3.3 | 112.2 | D179 I182 L274 S275 E276 L281 H282 | D179-R278 VanDerWaalsContact CG-NH2 3.33Å; D179-R278 IonicContact OD1-CZ 3Å; D179-R278 IonicContact OD1-NE 3.44Å; D179-R278 PolarHBondContact OD1-NE 3.07Å; D179-R278 IonicContact OD1-NH2 3.89Å; D179-R278 PolarHBondContact OD1-NH2 2.82Å; D179-R278 IonicContact OD2-CZ 3.13Å; D179-R278 IonicContact OD2-NE 3.35Å; D179-R278 IonicContact OD2-NH2 3.9Å; D179-R278 PolarHBondContact OD2-NH2 3.17Å; I182-R278 HydrophobicContact CD1-CB 3.85Å; I182-R278 HydrophobicContact CD1-CG 4.12Å; L274-R278 WeakPolarHBondContact O-CB 3.35Å; L274-R278 PolarHBondContact O-N 3.38Å; S275-R278 WeakPolarHBondContact O-CB 3.31Å; S275-R278 PolarHBondContact O-N 3.07Å; E276-R278 VanDerWaalsContact C-N 3.29Å; E276-R278 PolarHBondContact O-N 3.49Å; R278-L281 PolarHBondContact O-N 3.06Å; R278-H282 WeakPolarHBondContact O-CB 3.28Å; R278-H282 PolarHBondContact O-N 3.46Å |
| 279 | Q | 93.8 | Very high | 93.4 | Very high | 112 Ų | 112 | 65 Ų | 65 | 52% | 0.523 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 174.9 | -66.9 | -180 | 11 | 0 | 0 | 112.3 | S275 E276 Y277 H282 T283 | S275-Q279 WeakPolarHBondContact O-CG 3.49Å; S275-Q279 PolarHBondContact O-N 2.66Å; S275-Q279 VanDerWaalsContact O-N 3.16Å; E276-Q279 PolarHBondContact O-N 2.97Å; E276-Q279 VanDerWaalsContact O-N 3.17Å; Y277-Q279 PolarHBondContact O-N 2.89Å; Q279-H282 PolarHBondContact O-N 2.9Å; Q279-T283 PolarHBondContact O-N 3.08Å; Q279-T283 PolarHBondContact O-OG1 3.31Å |
| 280 | S | 95.7 | Very high | 93.3 | Very high | 76 Ų | 76 | 65.6 Ų | 65.6 | 53% | 0.531 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 173.9 | -175.9 | 0 | 0 | 0 | 0 | 111.6 | E276 Y277 H282 T283 Y284 | E276-S280 PolarHBondContact O-N 3.02Å; Y277-S280 WeakPolarHBondContact O-CB 3.49Å; Y277-S280 PolarHBondContact O-N 3.29Å; S280-H282 PolarHBondContact O-N 2.85Å; S280-T283 WeakPolarHBondContact O-CB 3.41Å; S280-T283 PolarHBondContact O-N 3.25Å; S280-T283 VanDerWaalsContact O-N 3.15Å; S280-Y284 PolarHBondContact O-N 2.91Å |
| 281 | L | 94.9 | Very high | 93.1 | Very high | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.063 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 177.5 | -174.2 | 65.5 | 0 | 0 | 0 | 112.3 | L174 L175 L178 Y277 R278 T283 Y284 L285 | L174-L281 HydrophobicContact CB-CD2 4.12Å; L174-L281 HydrophobicContact CD2-CD2 3.8Å; L174-L281 HydrophobicContact CG-CD2 3.79Å; L175-L281 HydrophobicContact CB-CD2 4.17Å; L178-L281 HydrophobicContact CD1-CD2 3.9Å; Y277-L281 WeakPolarHBondContact O-CB 3.21Å; Y277-L281 PolarHBondContact O-N 2.67Å; R278-L281 PolarHBondContact O-N 3.06Å; L281-T283 VanDerWaalsContact C-N 3.33Å; L281-T283 PolarHBondContact O-N 3.02Å; L281-Y284 HydrophobicContact CD1-CD1 4.31Å; L281-Y284 PolarHBondContact O-N 3.22Å; L281-L285 WeakPolarHBondContact O-CB 3.45Å; L281-L285 PolarHBondContact O-N 3.41Å |
| 282 | H | 94.2 | Very high | 92.8 | Very high | 82 Ų | 82 | 62.2 Ų | 62.2 | 38% | 0.38 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 173.1 | -174.5 | -87.2 | 0 | 0 | 0 | 111.8 | L175 R278 Q279 S280 L285 R286 | L175-H282 HydrophobicContact CD1-CB 4.07Å; R278-H282 WeakPolarHBondContact O-CB 3.28Å; R278-H282 PolarHBondContact O-N 3.46Å; Q279-H282 PolarHBondContact O-N 2.9Å; S280-H282 PolarHBondContact O-N 2.85Å; H282-L285 PolarHBondContact O-N 3.25Å; H282-R286 WeakPolarHBondContact O-CB 3.41Å; H282-R286 PolarHBondContact O-N 3.26Å |
| 283 | T | 95.4 | Very high | 92.8 | Very high | 93 Ų | 93 | 61.5 Ų | 61.5 | 57% | 0.571 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.5 | -39.7 | 176.3 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | Q279 S280 L281 R286 S287 | Q279-T283 PolarHBondContact O-N 3.08Å; Q279-T283 PolarHBondContact O-OG1 3.31Å; S280-T283 WeakPolarHBondContact O-CB 3.41Å; S280-T283 PolarHBondContact O-N 3.25Å; S280-T283 VanDerWaalsContact O-N 3.15Å; L281-T283 VanDerWaalsContact C-N 3.33Å; L281-T283 PolarHBondContact O-N 3.02Å; T283-R286 PolarHBondContact O-N 2.67Å; T283-S287 PolarHBondContact O-N 3.44Å |
| 284 | Y | 94.1 | Very high | 92.8 | Very high | 96 Ų | 96 | 60 Ų | 60 | 38% | 0.376 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 171.7 | 173.4 | -95.8 | 0 | 0 | 0 | 112 | S171 S280 L281 R286 S287 K288 | S171-Y284 WeakPolarHBondContact OG-CE1 3.08Å; S280-Y284 PolarHBondContact O-N 2.91Å; L281-Y284 HydrophobicContact CD1-CD1 4.31Å; L281-Y284 PolarHBondContact O-N 3.22Å; Y284-R286 VanDerWaalsContact C-N 3.3Å; Y284-R286 PolarHBondContact O-N 3.38Å; Y284-S287 PolarHBondContact O-N 2.96Å; Y284-K288 HydrophobicContact CD1-CG 4.36Å; Y284-K288 HydrophobicContact CD2-CG 4.43Å; Y284-K288 HydrophobicContact CE1-CG 3.87Å; Y284-K288 HydrophobicContact CE2-CG 3.97Å; Y284-K288 PolarHBondContact O-N 3.33Å |
| 285 | L | 93.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.5 | -43.7 | 177.1 | 178.1 | 64.1 | 0 | 0 | 0 | 111.1 | I168 I172 L175 L281 H282 K288 M289 A306 | I168-L285 HydrophobicContact CG2-CD1 3.94Å; I172-L285 HydrophobicContact CD1-CD2 4.01Å; L175-L285 HydrophobicContact CD1-CD2 4.32Å; L281-L285 WeakPolarHBondContact O-CB 3.45Å; L281-L285 PolarHBondContact O-N 3.41Å; H282-L285 PolarHBondContact O-N 3.25Å; L285-K288 PolarHBondContact O-N 3.29Å; L285-M289 VanDerWaalsContact O-CB 3.3Å; L285-M289 WeakPolarHBondContact O-CB 3.41Å; L285-M289 PolarHBondContact O-N 2.75Å; L285-A306 HydrophobicContact CD1-CB 3.99Å; L285-A306 HydrophobicContact CD2-CB 4.14Å; L285-A306 HydrophobicContact CG-CB 4.49Å |
| 286 | R | 93.4 | Very high | 92.8 | Very high | 147 Ų | 147 | 57.9 Ų | 57.9 | 56% | 0.555 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -58.7 | -49.1 | 174.7 | -179.8 | 169.7 | -157 | -148.5 | -1.1 | 112.4 | H282 T283 Y284 K288 M289 S290 E302 | H282-R286 WeakPolarHBondContact O-CB 3.41Å; H282-R286 PolarHBondContact O-N 3.26Å; T283-R286 PolarHBondContact O-N 2.67Å; Y284-R286 VanDerWaalsContact C-N 3.3Å; Y284-R286 PolarHBondContact O-N 3.38Å; R286-K288 VanDerWaalsContact C-N 3.33Å; R286-K288 PolarHBondContact O-N 3.1Å; R286-M289 PolarHBondContact O-N 3.4Å; R286-S290 PolarHBondContact O-N 3.1Å; R286-S290 VanDerWaalsContact O-N 3.1Å; R286-E302 HydrophobicContact CB-CG 4.35Å; R286-E302 WeakPolarHBondContact CD-OE1 3.3Å; R286-E302 HydrophobicContact CG-CG 4.03Å; R286-E302 WeakPolarHBondContact CG-OE1 3.37Å; R286-E302 IonicContact CZ-OE1 2.74Å; R286-E302 IonicContact NE-OE1 2.75Å; R286-E302 PolarHBondContact NE-OE1 3.37Å; R286-E302 IonicContact NH2-OE1 2.66Å |
| 287 | S | 92.1 | Very high | 92.8 | Very high | 65 Ų | 65 | 53.9 Ų | 53.9 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.6 | -40 | 177.3 | -171.5 | 0 | 0 | 0 | 0 | 112.4 | T283 Y284 Q291 | T283-S287 PolarHBondContact O-N 3.44Å; Y284-S287 PolarHBondContact O-N 2.96Å; S287-Q291 WeakPolarHBondContact O-CG 3.47Å; S287-Q291 PolarHBondContact O-N 3.43Å; S287-Q291 PolarHBondContact O-NE2 2.81Å; S287-Q291 PolarHBondContact OG-NE2 3.31Å |
| 288 | K | 90.9 | Very high | 92.7 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 20% | 0.204 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73.2 | -40.3 | 178.7 | -77 | -72.5 | 164.4 | -160.6 | 0 | 113.2 | I168 Y284 L285 R286 S290 Q291 V292 | I168-K288 HydrophobicContact CG1-CB 4.29Å; Y284-K288 HydrophobicContact CD1-CG 4.36Å; Y284-K288 HydrophobicContact CD2-CG 4.43Å; Y284-K288 HydrophobicContact CE1-CG 3.87Å; Y284-K288 HydrophobicContact CE2-CG 3.97Å; Y284-K288 PolarHBondContact O-N 3.33Å; L285-K288 PolarHBondContact O-N 3.29Å; R286-K288 VanDerWaalsContact C-N 3.33Å; R286-K288 PolarHBondContact O-N 3.1Å; K288-S290 VanDerWaalsContact C-N 3.31Å; K288-S290 PolarHBondContact O-N 3.46Å; K288-Q291 PolarHBondContact O-N 2.89Å; K288-Q291 VanDerWaalsContact O-N 3.1Å; K288-V292 WeakPolarHBondContact O-CG2 3.21Å; K288-V292 PolarHBondContact O-N 2.83Å; K288-V292 VanDerWaalsContact O-N 3.08Å |
| 289 | M | 91.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.6 | -42.7 | 175.3 | -173.6 | 60.8 | 69.4 | 0 | 0 | 111.1 | I168 L285 R286 Q291 V292 A293 E302 A306 I309 | I168-M289 HydrophobicContact CD1-CE 4.18Å; I168-M289 HydrophobicContact CD1-SD 4.26Å; I168-M289 HydrophobicContact CG2-CE 3.65Å; L285-M289 VanDerWaalsContact O-CB 3.3Å; L285-M289 WeakPolarHBondContact O-CB 3.41Å; L285-M289 PolarHBondContact O-N 2.75Å; R286-M289 PolarHBondContact O-N 3.4Å; M289-Q291 PolarHBondContact O-N 3.44Å; M289-V292 PolarHBondContact O-N 3.12Å; M289-A293 CarbonylContact O-C 3.58Å; M289-A293 PolarHBondContact O-N 3.14Å; M289-A293 HydrophobicContact SD-CB 3.93Å; M289-E302 HydrophobicContact CB-CB 4.35Å; M289-E302 HydrophobicContact CB-CG 4.45Å; M289-E302 HydrophobicContact CG-CB 4.29Å; M289-E302 HydrophobicContact CG-CG 4.46Å; M289-A306 VanDerWaalsContact CE-CA 3.42Å; M289-A306 HydrophobicContact CE-CB 3.57Å; M289-A306 VanDerWaalsContact CE-N 3.28Å; M289-I309 HydrophobicContact CE-CD1 4.18Å; M289-I309 HydrophobicContact SD-CD1 4.22Å |
| 290 | S | 90.2 | Very high | 92.5 | Very high | 74 Ų | 74 | 40.3 Ų | 40.3 | 52% | 0.517 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.4 | -25.4 | 175.3 | 179.3 | 0 | 0 | 0 | 0 | 114 | R286 K288 | R286-S290 PolarHBondContact O-N 3.1Å; R286-S290 VanDerWaalsContact O-N 3.1Å; K288-S290 VanDerWaalsContact C-N 3.31Å; K288-S290 PolarHBondContact O-N 3.46Å |
| 291 | Q | 87.7 | Confident | 92.3 | Very high | 83 Ų | 83 | 37.8 Ų | 37.8 | 39% | 0.388 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -83.9 | -32.6 | 176.2 | -70.8 | 164.4 | 31 | 0 | 0 | 113.1 | S287 K288 M289 | S287-Q291 WeakPolarHBondContact O-CG 3.47Å; S287-Q291 PolarHBondContact O-N 3.43Å; S287-Q291 PolarHBondContact O-NE2 2.81Å; S287-Q291 PolarHBondContact OG-NE2 3.31Å; K288-Q291 PolarHBondContact O-N 2.89Å; K288-Q291 VanDerWaalsContact O-N 3.1Å; M289-Q291 PolarHBondContact O-N 3.44Å |
| 292 | V | 89.1 | Confident | 92.2 | Very high | 8 Ų | 8 | 39.4 Ų | 39.4 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -99.3 | -43.3 | -171.4 | 178.4 | 0 | 0 | 0 | 0 | 112.6 | N162 I168 K288 M289 L315 | N162-V292 WeakPolarHBondContact O-CG2 3.44Å; I168-V292 HydrophobicContact CD1-CB 3.69Å; I168-V292 HydrophobicContact CD1-CG1 3.99Å; I168-V292 HydrophobicContact CD1-CG2 3.85Å; K288-V292 WeakPolarHBondContact O-CG2 3.21Å; K288-V292 PolarHBondContact O-N 2.83Å; K288-V292 VanDerWaalsContact O-N 3.08Å; M289-V292 PolarHBondContact O-N 3.12Å; V292-L315 HydrophobicContact CG1-CD2 3.97Å |
| 293 | A | 91.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -143.4 | 63.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M289 S295 L296 S297 I309 L315 D383 | M289-A293 CarbonylContact O-C 3.58Å; M289-A293 PolarHBondContact O-N 3.14Å; M289-A293 HydrophobicContact SD-CB 3.93Å; A293-S295 VanDerWaalsContact C-N 3.33Å; A293-S295 PolarHBondContact O-N 3Å; A293-L296 HydrophobicContact CB-CB 4.23Å; A293-L296 PolarHBondContact O-N 3.27Å; A293-S297 WeakPolarHBondContact O-CB 3.49Å; A293-S297 PolarHBondContact O-N 2.86Å; A293-I309 HydrophobicContact CB-CD1 4.38Å; A293-L315 HydrophobicContact CB-CD2 4.38Å; A293-D383 VanDerWaalsContact C-OD2 3.3Å; A293-D383 VanDerWaalsContact CA-CG 3.47Å; A293-D383 WeakPolarHBondContact CA-OD2 3.25Å; A293-D383 HydrophobicContact CB-CB 4Å; A293-D383 WeakPolarHBondContact CB-OD2 3.39Å | ||
| 294 | P | 92.8 | Very high | 91.9 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 6% | 0.058 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.2 | -32.8 | -179.9 | 26.3 | -35.3 | 0 | 0 | 0 | 113.7 | S297 A298 D383 P389 | P294-S297 WeakPolarHBondContact O-CB 3.34Å; P294-S297 PolarHBondContact O-N 2.65Å; P294-A298 WeakPolarHBondContact O-CB 3.48Å; P294-A298 PolarHBondContact O-N 3.17Å; P294-D383 WeakPolarHBondContact CD-OD1 3.27Å; P294-P389 HydrophobicContact CG-CB 3.67Å; P294-P389 HydrophobicContact CG-CG 4.12Å |
| 295 | S | 92.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.7 | -46.7 | 179.9 | -44.3 | 0 | 0 | 0 | 0 | 111.3 | A293 S297 A298 L299 D383 T390 G394 | A293-S295 VanDerWaalsContact C-N 3.33Å; A293-S295 PolarHBondContact O-N 3Å; S295-S297 VanDerWaalsContact C-N 3.33Å; S295-A298 PolarHBondContact O-N 3.32Å; S295-L299 WeakPolarHBondContact O-CB 3.48Å; S295-L299 PolarHBondContact O-N 2.95Å; S295-L299 VanDerWaalsContact O-N 3.14Å; S295-D383 WeakPolarHBondContact CB-OD1 2.98Å; S295-D383 WeakPolarHBondContact CB-OD2 3.4Å; S295-D383 PolarHBondContact N-OD1 3.1Å; S295-D383 PolarHBondContact N-OD2 2.98Å; S295-D383 VanDerWaalsContact N-OD2 3.17Å; S295-D383 PolarHBondContact OG-OD1 3.39Å; S295-T390 PolarHBondContact OG-O 2.93Å; S295-G394 VanDerWaalsContact O-CA 3.27Å; S295-G394 WeakPolarHBondContact O-CA 3.35Å |
| 296 | L | 93 | Very high | 91.9 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 175.5 | -172.4 | 66.5 | 0 | 0 | 0 | 111 | A293 L299 I300 I309 L318 C376 D383 | A293-L296 HydrophobicContact CB-CB 4.23Å; A293-L296 PolarHBondContact O-N 3.27Å; L296-L299 PolarHBondContact O-N 3.36Å; L296-I300 HydrophobicContact CD1-CD1 3.74Å; L296-I300 HydrophobicContact CD1-CG1 4.05Å; L296-I300 HydrophobicContact CG-CD1 4.06Å; L296-I300 HydrophobicContact CG-CG1 4.23Å; L296-I300 WeakPolarHBondContact O-CG1 3.48Å; L296-I300 PolarHBondContact O-N 2.95Å; L296-I300 VanDerWaalsContact O-N 3.07Å; L296-I309 HydrophobicContact CD2-CD1 4.25Å; L296-I309 HydrophobicContact CD2-CG1 4.3Å; L296-L318 HydrophobicContact CD2-CD2 4Å; L296-C376 HydrophobicContact CD1-CB 4.14Å; L296-D383 WeakPolarHBondContact CB-OD2 3.16Å; L296-D383 PolarHBondContact N-OD2 3Å |
| 297 | S | 93.3 | Very high | 92 | Very high | 16 Ų | 16 | 25.3 Ų | 25.3 | 11% | 0.112 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.6 | -50.4 | 175.5 | -169.7 | 0 | 0 | 0 | 0 | 112.6 | A293 P294 S295 L299 G301 E302 | A293-S297 WeakPolarHBondContact O-CB 3.49Å; A293-S297 PolarHBondContact O-N 2.86Å; P294-S297 WeakPolarHBondContact O-CB 3.34Å; P294-S297 PolarHBondContact O-N 2.65Å; S295-S297 VanDerWaalsContact C-N 3.33Å; S297-L299 VanDerWaalsContact C-N 3.32Å; S297-L299 PolarHBondContact O-N 3.49Å; S297-G301 WeakPolarHBondContact O-CA 3.16Å; S297-G301 PolarHBondContact O-N 3.43Å; S297-E302 WeakPolarHBondContact OG-CG 3.14Å |
| 298 | A | 92.7 | Very high | 92.1 | Very high | 24 Ų | 24 | 22.3 Ų | 22.3 | 20% | 0.198 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.8 | -33.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P294 S295 E395 R398 | P294-A298 WeakPolarHBondContact O-CB 3.48Å; P294-A298 PolarHBondContact O-N 3.17Å; S295-A298 PolarHBondContact O-N 3.32Å; A298-E395 HydrophobicContact CB-CG 4.23Å; A298-R398 PolarHBondContact O-NH1 3.16Å |
| 299 | L | 92.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -73.9 | -44.1 | -177.6 | -176.9 | 62 | 0 | 0 | 0 | 113.9 | S295 L296 S297 F356 L372 K375 C376 A379 L397 R398 V401 | S295-L299 WeakPolarHBondContact O-CB 3.48Å; S295-L299 PolarHBondContact O-N 2.95Å; S295-L299 VanDerWaalsContact O-N 3.14Å; L296-L299 PolarHBondContact O-N 3.36Å; S297-L299 VanDerWaalsContact C-N 3.32Å; S297-L299 PolarHBondContact O-N 3.49Å; L299-F356 VanDerWaalsContact O-CE2 3.27Å; L299-F356 WeakPolarHBondContact O-CE2 3.4Å; L299-L372 HydrophobicContact CD1-CD1 4.21Å; L299-L372 HydrophobicContact CD2-CD1 4.35Å; L299-L372 HydrophobicContact CG-CD1 4.13Å; L299-K375 HydrophobicContact CD2-CB 3.82Å; L299-C376 HydrophobicContact CD2-CB 4.47Å; L299-A379 HydrophobicContact CD2-CB 4.15Å; L299-L397 HydrophobicContact CD1-CB 4.02Å; L299-L397 HydrophobicContact CD2-CB 4.48Å; L299-R398 HydrophobicContact CD1-CB 4.2Å; L299-V401 HydrophobicContact CD1-CG2 4.16Å |
| 300 | I | 91.6 | Very high | 92.3 | Very high | 13 Ų | 13 | 21.4 Ų | 21.4 | 7% | 0.067 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -125 | -4.5 | -174.1 | 52.8 | 167.5 | 0 | 0 | 0 | 115.6 | L296 V304 L308 L372 | L296-I300 HydrophobicContact CD1-CD1 3.74Å; L296-I300 HydrophobicContact CD1-CG1 4.05Å; L296-I300 HydrophobicContact CG-CD1 4.06Å; L296-I300 HydrophobicContact CG-CG1 4.23Å; L296-I300 WeakPolarHBondContact O-CG1 3.48Å; L296-I300 PolarHBondContact O-N 2.95Å; L296-I300 VanDerWaalsContact O-N 3.07Å; I300-V304 HydrophobicContact CD1-CB 4.4Å; I300-V304 HydrophobicContact CD1-CG1 4.18Å; I300-L308 HydrophobicContact CD1-CD1 3.44Å; I300-L308 VanDerWaalsContact CD1-CD1 3.44Å; I300-L308 HydrophobicContact CD1-CG 4.45Å; I300-L372 HydrophobicContact CG2-CD1 3.92Å; I300-L372 HydrophobicContact CG2-CD2 4.29Å; I300-L372 HydrophobicContact CG2-CG 4.33Å |
| 301 | G | 91.7 | Very high | 92.5 | Very high | 23 Ų | 23 | 22.7 Ų | 22.7 | 24% | 0.237 | 13% | 0.128 | C | C | . | . | trans | 89.3 | 155 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S297 A303 G305 | S297-G301 WeakPolarHBondContact O-CA 3.16Å; S297-G301 PolarHBondContact O-N 3.43Å; G301-A303 PolarHBondContact O-N 3.4Å; G301-G305 PolarHBondContact O-N 3.15Å | ||
| 302 | E | 91.8 | Very high | 92.7 | Very high | 45 Ų | 45 | 19 Ų | 19 | 21% | 0.21 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.4 | -45.8 | -168 | -55.5 | 92.3 | 157.1 | 0 | 0 | 112.6 | R286 M289 S297 G305 A306 | R286-E302 HydrophobicContact CB-CG 4.35Å; R286-E302 WeakPolarHBondContact CD-OE1 3.3Å; R286-E302 HydrophobicContact CG-CG 4.03Å; R286-E302 WeakPolarHBondContact CG-OE1 3.37Å; R286-E302 IonicContact CZ-OE1 2.74Å; R286-E302 IonicContact NE-OE1 2.75Å; R286-E302 PolarHBondContact NE-OE1 3.37Å; R286-E302 IonicContact NH2-OE1 2.66Å; M289-E302 HydrophobicContact CB-CB 4.35Å; M289-E302 HydrophobicContact CB-CG 4.45Å; M289-E302 HydrophobicContact CG-CB 4.29Å; M289-E302 HydrophobicContact CG-CG 4.46Å; S297-E302 WeakPolarHBondContact OG-CG 3.14Å; E302-G305 PolarHBondContact O-N 3.06Å; E302-A306 WeakPolarHBondContact O-CB 3.21Å; E302-A306 PolarHBondContact O-N 3.4Å |
| 303 | A | 92.1 | Very high | 92.8 | Very high | 32 Ų | 32 | 20.7 Ų | 20.7 | 26% | 0.264 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -67.2 | -42.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G301 A306 R307 | G301-A303 PolarHBondContact O-N 3.4Å; A303-A306 PolarHBondContact O-N 2.88Å; A303-R307 WeakPolarHBondContact O-CG 3.35Å; A303-R307 PolarHBondContact O-N 2.84Å |
| 304 | V | 92.2 | Very high | 92.9 | Very high | 19 Ų | 19 | 21.8 Ų | 21.8 | 12% | 0.115 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.8 | -39.2 | 178.2 | -172 | 0 | 0 | 0 | 0 | 110.3 | I300 A306 R307 L308 H353 | I300-V304 HydrophobicContact CD1-CB 4.4Å; I300-V304 HydrophobicContact CD1-CG1 4.18Å; V304-A306 PolarHBondContact O-N 3.48Å; V304-R307 PolarHBondContact O-N 3.35Å; V304-L308 WeakPolarHBondContact O-CG 3.48Å; V304-L308 PolarHBondContact O-N 2.95Å; V304-H353 HydrophobicContact CG2-CB 4.38Å |
| 305 | G | 93.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.6 | -44.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G301 E302 L308 I309 | G301-G305 PolarHBondContact O-N 3.15Å; E302-G305 PolarHBondContact O-N 3.06Å; G305-L308 PolarHBondContact O-N 3.19Å; G305-I309 WeakPolarHBondContact O-CG1 3.35Å; G305-I309 PolarHBondContact O-N 3.06Å |
| 306 | A | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I168 I172 L285 M289 E302 A303 V304 L308 I309 A310 | I168-A306 HydrophobicContact CG2-CB 3.86Å; I172-A306 HydrophobicContact CB-CB 3.9Å; I172-A306 HydrophobicContact CD1-CB 4.22Å; I172-A306 HydrophobicContact CG1-CB 3.94Å; I172-A306 HydrophobicContact CG2-CB 4.26Å; L285-A306 HydrophobicContact CD1-CB 3.99Å; L285-A306 HydrophobicContact CD2-CB 4.14Å; L285-A306 HydrophobicContact CG-CB 4.49Å; M289-A306 VanDerWaalsContact CE-CA 3.42Å; M289-A306 HydrophobicContact CE-CB 3.57Å; M289-A306 VanDerWaalsContact CE-N 3.28Å; E302-A306 WeakPolarHBondContact O-CB 3.21Å; E302-A306 PolarHBondContact O-N 3.4Å; A303-A306 PolarHBondContact O-N 2.88Å; V304-A306 PolarHBondContact O-N 3.48Å; A306-L308 VanDerWaalsContact C-N 3.35Å; A306-L308 PolarHBondContact O-N 3.47Å; A306-I309 PolarHBondContact O-N 3.42Å; A306-A310 WeakPolarHBondContact O-CB 3.42Å; A306-A310 PolarHBondContact O-N 3.47Å |
| 307 | R | 94.3 | Very high | 92.9 | Very high | 73 Ų | 73 | 27.3 Ų | 27.3 | 28% | 0.275 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.8 | -37.7 | 176.1 | -71.3 | -176.7 | 179.1 | 149.8 | 4.6 | 112.4 | I172 D176 A303 V304 A310 H311 L350 | I172-R307 HydrophobicContact CD1-CG 4.03Å; I172-R307 HydrophobicContact CG1-CG 3.65Å; D176-R307 IonicContact OD1-CZ 2.95Å; D176-R307 IonicContact OD1-NE 2.7Å; D176-R307 PolarHBondContact OD1-NE 2.82Å; D176-R307 IonicContact OD1-NH2 3.32Å; D176-R307 PolarHBondContact OD1-NH2 2.88Å; D176-R307 IonicContact OD2-CZ 3.93Å; D176-R307 IonicContact OD2-NE 2.81Å; D176-R307 PolarHBondContact OD2-NE 3.26Å; D176-R307 VanDerWaalsContact OD2-NE 3.11Å; D176-R307 IonicContact OD2-NH2 3.48Å; A303-R307 WeakPolarHBondContact O-CG 3.35Å; A303-R307 PolarHBondContact O-N 2.84Å; V304-R307 PolarHBondContact O-N 3.35Å; R307-A310 PolarHBondContact O-N 2.83Å; R307-H311 WeakPolarHBondContact O-CB 3.41Å; R307-H311 PolarHBondContact O-CD2 2.83Å; R307-H311 PolarHBondContact O-N 3.04Å; R307-L350 HydrophobicContact CB-CD1 4.46Å; R307-L350 HydrophobicContact CB-CD2 4.47Å |
| 308 | L | 93.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.6 | -42.8 | 174.2 | -71.7 | -179.4 | 0 | 0 | 0 | 112.7 | I300 V304 G305 A306 A312 L318 L329 L350 I351 | I300-L308 HydrophobicContact CD1-CD1 3.44Å; I300-L308 VanDerWaalsContact CD1-CD1 3.44Å; I300-L308 HydrophobicContact CD1-CG 4.45Å; V304-L308 WeakPolarHBondContact O-CG 3.48Å; V304-L308 PolarHBondContact O-N 2.95Å; G305-L308 PolarHBondContact O-N 3.19Å; A306-L308 VanDerWaalsContact C-N 3.35Å; A306-L308 PolarHBondContact O-N 3.47Å; L308-A312 WeakPolarHBondContact O-CB 3.45Å; L308-A312 PolarHBondContact O-N 3.33Å; L308-L318 HydrophobicContact CB-CD2 4.21Å; L308-L329 HydrophobicContact CD2-CB 4.18Å; L308-L329 HydrophobicContact CD2-CD1 4.23Å; L308-L350 HydrophobicContact CD2-CB 3.96Å; L308-L350 HydrophobicContact CD2-CD1 4.16Å; L308-I351 HydrophobicContact CD1-CG1 4.25Å; L308-I351 HydrophobicContact CD2-CG1 4.12Å |
| 309 | I | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.5 | -44 | 176.9 | -67.5 | 171.5 | 0 | 0 | 0 | 110.5 | D165 I169 M289 A293 L296 G305 A306 A312 G313 S314 L315 L318 | D165-I309 HydrophobicContact CB-CG2 4.39Å; I169-I309 HydrophobicContact CD1-CG2 4.34Å; I169-I309 HydrophobicContact CG1-CG2 4.03Å; M289-I309 HydrophobicContact CE-CD1 4.18Å; M289-I309 HydrophobicContact SD-CD1 4.22Å; A293-I309 HydrophobicContact CB-CD1 4.38Å; L296-I309 HydrophobicContact CD2-CD1 4.25Å; L296-I309 HydrophobicContact CD2-CG1 4.3Å; G305-I309 WeakPolarHBondContact O-CG1 3.35Å; G305-I309 PolarHBondContact O-N 3.06Å; A306-I309 PolarHBondContact O-N 3.42Å; I309-A312 PolarHBondContact O-N 2.84Å; I309-G313 PolarHBondContact O-N 3.38Å; I309-S314 PolarHBondContact O-N 3.49Å; I309-L315 HydrophobicContact CD1-CD1 4.14Å; I309-L315 HydrophobicContact CG1-CD1 4.28Å; I309-L318 HydrophobicContact CG1-CD2 3.83Å |
| 310 | A | 94.2 | Very high | 93.1 | Very high | 28 Ų | 28 | 32.1 Ų | 32.1 | 23% | 0.231 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.4 | -45.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I169 I172 A306 R307 A312 G313 | I169-A310 HydrophobicContact CG1-CB 4.47Å; I169-A310 HydrophobicContact CG2-CB 4.1Å; I172-A310 HydrophobicContact CG2-CB 3.64Å; A306-A310 WeakPolarHBondContact O-CB 3.42Å; A306-A310 PolarHBondContact O-N 3.47Å; R307-A310 PolarHBondContact O-N 2.83Å; A310-A312 VanDerWaalsContact C-N 3.29Å; A310-A312 PolarHBondContact O-N 3.18Å; A310-G313 PolarHBondContact O-N 3.11Å |
| 311 | H | 92.6 | Very high | 93.2 | Very high | 102 Ų | 102 | 35.4 Ų | 35.4 | 47% | 0.472 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.1 | -26.8 | 175.9 | -87.9 | -92.7 | 0 | 0 | 0 | 113.7 | R307 G313 L350 | R307-H311 WeakPolarHBondContact O-CB 3.41Å; R307-H311 PolarHBondContact O-CD2 2.83Å; R307-H311 PolarHBondContact O-N 3.04Å; H311-G313 VanDerWaalsContact C-N 3.33Å; H311-L350 HydrophobicContact CB-CD1 4Å; H311-L350 VanDerWaalsContact CD2-CD1 3.41Å; H311-L350 WeakPolarHBondContact CD2-CD1 3.46Å |
| 312 | A | 93.2 | Very high | 93.5 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.033 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -80.6 | -13 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L308 I309 A310 S314 N317 L318 Y321 | L308-A312 WeakPolarHBondContact O-CB 3.45Å; L308-A312 PolarHBondContact O-N 3.33Å; I309-A312 PolarHBondContact O-N 2.84Å; A310-A312 VanDerWaalsContact C-N 3.29Å; A310-A312 PolarHBondContact O-N 3.18Å; A312-S314 PolarHBondContact O-N 2.98Å; A312-N317 HydrophobicContact CB-CB 4.49Å; A312-N317 VanDerWaalsContact O-CB 3.25Å; A312-N317 WeakPolarHBondContact O-CB 3.48Å; A312-N317 PolarHBondContact O-ND2 3.21Å; A312-L318 HydrophobicContact CB-CB 3.76Å; A312-L318 HydrophobicContact CB-CD1 4.16Å; A312-Y321 HydrophobicContact CB-CD2 4.21Å; A312-Y321 HydrophobicContact CB-CE2 3.75Å |
| 313 | G | 91.7 | Very high | 93.6 | Very high | 45 Ų | 45 | 35.9 Ų | 35.9 | 46% | 0.464 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | -12.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | I169 I309 A310 H311 | I169-G313 WeakPolarHBondContact CD1-O 3.44Å; I309-G313 PolarHBondContact O-N 3.38Å; A310-G313 PolarHBondContact O-N 3.11Å; H311-G313 VanDerWaalsContact C-N 3.33Å |
| 314 | S | 91.9 | Very high | 93.6 | Very high | 22 Ų | 22 | 38.1 Ų | 38.1 | 15% | 0.154 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -168.5 | 152.4 | 172.3 | 170.9 | 0 | 0 | 0 | 0 | 110.3 | D165 I309 A312 T316 N317 L318 | D165-S314 WeakPolarHBondContact OD2-CA 3.4Å; D165-S314 VanDerWaalsContact OD2-CB 3.27Å; D165-S314 WeakPolarHBondContact OD2-CB 3.39Å; D165-S314 PolarHBondContact OD2-OG 3.26Å; I309-S314 PolarHBondContact O-N 3.49Å; A312-S314 PolarHBondContact O-N 2.98Å; S314-T316 PolarHBondContact O-N 2.73Å; S314-T316 PolarHBondContact OG-N 3.39Å; S314-T316 VanDerWaalsContact OG-N 3.07Å; S314-N317 PolarHBondContact O-N 3.33Å; S314-L318 PolarHBondContact O-N 3.49Å |
| 315 | L | 92.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.8 | -35.3 | 169 | 179.1 | 61.2 | 0 | 0 | 0 | 111.5 | D165 V292 A293 I309 N317 L318 A319 C384 | D165-L315 HydrophobicContact CB-CB 4.22Å; D165-L315 PolarHBondContact OD2-N 3.45Å; V292-L315 HydrophobicContact CG1-CD2 3.97Å; A293-L315 HydrophobicContact CB-CD2 4.38Å; I309-L315 HydrophobicContact CD1-CD1 4.14Å; I309-L315 HydrophobicContact CG1-CD1 4.28Å; L315-N317 VanDerWaalsContact C-N 3.34Å; L315-N317 PolarHBondContact O-N 2.83Å; L315-L318 HydrophobicContact CD1-CD2 4.47Å; L315-L318 PolarHBondContact O-N 2.93Å; L315-A319 WeakPolarHBondContact O-CB 3.22Å; L315-A319 PolarHBondContact O-N 3.33Å; L315-C384 HydrophobicContact CD2-CB 4.35Å; L315-C384 HydrophobicContact CG-CB 4.1Å |
| 316 | T | 92.7 | Very high | 93.6 | Very high | 55 Ų | 55 | 39.4 Ų | 39.4 | 34% | 0.337 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.9 | -37.3 | 176.9 | -57 | 0 | 0 | 0 | 0 | 111.6 | S314 K320 | S314-T316 PolarHBondContact O-N 2.73Å; S314-T316 PolarHBondContact OG-N 3.39Å; S314-T316 VanDerWaalsContact OG-N 3.07Å; T316-K320 HydrophobicContact CG2-CD 4.43Å; T316-K320 VanDerWaalsContact O-CG 3.29Å; T316-K320 WeakPolarHBondContact O-CG 3.32Å; T316-K320 PolarHBondContact O-N 2.98Å; T316-K320 VanDerWaalsContact O-N 3.15Å |
| 317 | N | 93.7 | Very high | 93.6 | Very high | 62 Ų | 62 | 40.5 Ų | 40.5 | 33% | 0.332 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.9 | -41.2 | 175.1 | -69.6 | -11.9 | 0 | 0 | 0 | 111.1 | A312 S314 L315 A319 K320 Y321 | A312-N317 HydrophobicContact CB-CB 4.49Å; A312-N317 VanDerWaalsContact O-CB 3.25Å; A312-N317 WeakPolarHBondContact O-CB 3.48Å; A312-N317 PolarHBondContact O-ND2 3.21Å; S314-N317 PolarHBondContact O-N 3.33Å; L315-N317 VanDerWaalsContact C-N 3.34Å; L315-N317 PolarHBondContact O-N 2.83Å; N317-A319 VanDerWaalsContact C-N 3.3Å; N317-A319 PolarHBondContact O-N 2.89Å; N317-K320 PolarHBondContact O-N 3.07Å; N317-K320 VanDerWaalsContact O-N 3.17Å; N317-Y321 PolarHBondContact O-N 2.97Å |
| 318 | L | 94.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.9 | -39.4 | 175.2 | -175.1 | 62.4 | 0 | 0 | 0 | 112.3 | L296 L308 I309 A312 S314 L315 V326 L329 | L296-L318 HydrophobicContact CD2-CD2 4Å; L308-L318 HydrophobicContact CB-CD2 4.21Å; I309-L318 HydrophobicContact CG1-CD2 3.83Å; A312-L318 HydrophobicContact CB-CB 3.76Å; A312-L318 HydrophobicContact CB-CD1 4.16Å; S314-L318 PolarHBondContact O-N 3.49Å; L315-L318 HydrophobicContact CD1-CD2 4.47Å; L315-L318 PolarHBondContact O-N 2.93Å; L318-V326 HydrophobicContact CD1-CG2 4.07Å; L318-L329 HydrophobicContact CD1-CD1 3.73Å |
| 319 | A | 94 | Very high | 93.4 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.1 | -36 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L315 N317 R381 C384 F385 | L315-A319 WeakPolarHBondContact O-CB 3.22Å; L315-A319 PolarHBondContact O-N 3.33Å; N317-A319 VanDerWaalsContact C-N 3.3Å; N317-A319 PolarHBondContact O-N 2.89Å; A319-R381 HydrophobicContact CB-CG 3.92Å; A319-R381 WeakPolarHBondContact O-CG 3.45Å; A319-R381 PolarHBondContact O-NE 2.98Å; A319-C384 HydrophobicContact CB-CB 3.94Å; A319-F385 HydrophobicContact CB-CE2 4.14Å |
| 320 | K | 95.2 | Very high | 93.2 | Very high | 138 Ų | 138 | 40.9 Ų | 40.9 | 60% | 0.6 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -70.3 | -33.2 | 175.4 | -74.6 | 169.6 | -179.4 | 174.6 | 0 | 113 | T316 N317 | T316-K320 HydrophobicContact CG2-CD 4.43Å; T316-K320 VanDerWaalsContact O-CG 3.29Å; T316-K320 WeakPolarHBondContact O-CG 3.32Å; T316-K320 PolarHBondContact O-N 2.98Å; T316-K320 VanDerWaalsContact O-N 3.15Å; N317-K320 PolarHBondContact O-N 3.07Å; N317-K320 VanDerWaalsContact O-N 3.17Å |
| 321 | Y | 94.4 | Very high | 93 | Very high | 81 Ų | 81 | 40.2 Ų | 40.2 | 32% | 0.318 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -62.4 | 142.2 | -179.8 | -69.4 | -25.7 | 0 | 0 | 0 | 112.5 | A312 N317 T325 L329 R381 | A312-Y321 HydrophobicContact CB-CD2 4.21Å; A312-Y321 HydrophobicContact CB-CE2 3.75Å; N317-Y321 PolarHBondContact O-N 2.97Å; Y321-T325 HydrophobicContact CD2-CG2 4.26Å; Y321-T325 HydrophobicContact CG-CG2 4.15Å; Y321-L329 HydrophobicContact CD2-CD1 4.42Å; Y321-L329 HydrophobicContact CD2-CD2 4.38Å; Y321-L329 HydrophobicContact CE2-CD2 4.23Å; Y321-R381 PolarHBondContact O-NH2 3.46Å |
| 322 | P | 96.1 | Very high | 92.8 | Very high | 63 Ų | 63 | 38.9 Ų | 38.9 | 41% | 0.409 | 23% | 0.232 | S | C | . | . | trans | -72.2 | 154 | 171.2 | 32.2 | -34.9 | 0 | 0 | 0 | 110 | S324 T325 V326 | P322-S324 PolarHBondContact O-N 2.78Å; P322-S324 VanDerWaalsContact O-N 3.1Å; P322-T325 WeakPolarHBondContact CG-OG1 3.49Å; P322-T325 WeakPolarHBondContact O-CB 3.45Å; P322-T325 PolarHBondContact O-N 2.93Å; P322-V326 PolarHBondContact O-N 3.18Å; P322-V326 VanDerWaalsContact O-N 3.08Å | ||
| 323 | A | 94.4 | Very high | 92.5 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 13% | 0.132 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.8 | -27.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V326 Q327 N374 | A323-V326 PolarHBondContact O-N 2.92Å; A323-Q327 WeakPolarHBondContact O-CB 3.35Å; A323-Q327 PolarHBondContact O-N 2.88Å; A323-N374 HydrophobicContact CB-CB 4.42Å; A323-N374 WeakPolarHBondContact CB-OD1 3.45Å |
| 324 | S | 92.6 | Very high | 92.4 | Very high | 79 Ų | 79 | 47.2 Ų | 47.2 | 55% | 0.552 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.6 | -38 | 172.7 | 48.7 | 0 | 0 | 0 | 0 | 113.2 | P322 | P322-S324 PolarHBondContact O-N 2.78Å; P322-S324 VanDerWaalsContact O-N 3.1Å |
| 325 | T | 93 | Very high | 92.2 | Very high | 45 Ų | 45 | 47.7 Ų | 47.7 | 28% | 0.276 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71 | -46 | 172.2 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | Y321 P322 Q327 I328 L329 | Y321-T325 HydrophobicContact CD2-CG2 4.26Å; Y321-T325 HydrophobicContact CG-CG2 4.15Å; P322-T325 WeakPolarHBondContact CG-OG1 3.49Å; P322-T325 WeakPolarHBondContact O-CB 3.45Å; P322-T325 PolarHBondContact O-N 2.93Å; T325-Q327 PolarHBondContact O-N 2.97Å; T325-I328 WeakPolarHBondContact O-CG1 3.43Å; T325-I328 PolarHBondContact O-N 2.69Å; T325-L329 HydrophobicContact CG2-CD2 4.25Å; T325-L329 PolarHBondContact O-N 3.44Å; T325-L329 VanDerWaalsContact O-N 3.13Å |
| 326 | V | 93.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.7 | -37 | 178.2 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | L318 P322 A323 I328 L329 I351 A373 C376 | L318-V326 HydrophobicContact CD1-CG2 4.07Å; P322-V326 PolarHBondContact O-N 3.18Å; P322-V326 VanDerWaalsContact O-N 3.08Å; A323-V326 PolarHBondContact O-N 2.92Å; V326-I328 VanDerWaalsContact C-N 3.29Å; V326-I328 PolarHBondContact O-N 2.96Å; V326-L329 HydrophobicContact CG2-CD1 4.46Å; V326-I351 HydrophobicContact CG1-CD1 3.9Å; V326-I351 VanDerWaalsContact O-CD1 3.31Å; V326-I351 WeakPolarHBondContact O-CD1 3.49Å; V326-A373 HydrophobicContact CG1-CB 4.44Å; V326-C376 HydrophobicContact CG1-CB 4.28Å |
| 327 | Q | 93.1 | Very high | 92 | Very high | 22 Ų | 22 | 58.8 Ų | 58.8 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.9 | -35.5 | 175.1 | -175.3 | 174.2 | -6.3 | 0 | 0 | 113.7 | A323 T325 K347 Y348 G349 A373 | A323-Q327 WeakPolarHBondContact O-CB 3.35Å; A323-Q327 PolarHBondContact O-N 2.88Å; T325-Q327 PolarHBondContact O-N 2.97Å; Q327-K347 WeakPolarHBondContact CG-O 3.43Å; Q327-K347 PolarHBondContact NE2-O 2.79Å; Q327-Y348 CarbonylContact O-C 3.57Å; Q327-Y348 WeakPolarHBondContact O-CA 3.35Å; Q327-G349 PolarHBondContact O-N 3.06Å; Q327-A373 HydrophobicContact CB-CB 3.75Å; Q327-A373 HydrophobicContact CG-CB 4.42Å |
| 328 | I | 92.6 | Very high | 91.8 | Very high | 40 Ų | 40 | 56.1 Ų | 56.1 | 21% | 0.205 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -104.8 | -1.5 | -173.2 | 59.7 | 167.1 | 0 | 0 | 0 | 114.3 | T325 V326 G330 A331 L335 | T325-I328 WeakPolarHBondContact O-CG1 3.43Å; T325-I328 PolarHBondContact O-N 2.69Å; V326-I328 VanDerWaalsContact C-N 3.29Å; V326-I328 PolarHBondContact O-N 2.96Å; I328-G330 PolarHBondContact O-N 3.31Å; I328-A331 WeakPolarHBondContact O-CA 3.26Å; I328-A331 WeakPolarHBondContact O-CB 3.27Å; I328-A331 PolarHBondContact O-N 3.16Å; I328-L335 HydrophobicContact CD1-CD2 3.47Å; I328-L335 VanDerWaalsContact CD1-CD2 3.47Å |
| 329 | L | 91.8 | Very high | 91.6 | Very high | 6 Ų | 6 | 61.1 Ų | 61.1 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 128.5 | -179.1 | -76.8 | 176 | 0 | 0 | 0 | 111.5 | L308 L318 Y321 T325 V326 A331 G349 L350 | L308-L329 HydrophobicContact CD2-CB 4.18Å; L308-L329 HydrophobicContact CD2-CD1 4.23Å; L318-L329 HydrophobicContact CD1-CD1 3.73Å; Y321-L329 HydrophobicContact CD2-CD1 4.42Å; Y321-L329 HydrophobicContact CD2-CD2 4.38Å; Y321-L329 HydrophobicContact CE2-CD2 4.23Å; T325-L329 HydrophobicContact CG2-CD2 4.25Å; T325-L329 PolarHBondContact O-N 3.44Å; T325-L329 VanDerWaalsContact O-N 3.13Å; V326-L329 HydrophobicContact CG2-CD1 4.46Å; L329-A331 VanDerWaalsContact C-N 3.3Å; L329-A331 PolarHBondContact O-N 3.33Å; L329-G349 WeakPolarHBondContact O-CA 3.46Å; L329-L350 WeakPolarHBondContact O-CG 3.34Å; L329-L350 PolarHBondContact O-N 3.2Å |
| 330 | G | 89.3 | Confident | 91.6 | Very high | 37 Ų | 37 | 69.9 Ų | 69.9 | 38% | 0.381 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | -16.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | I328 E332 | I328-G330 PolarHBondContact O-N 3.31Å; G330-E332 PolarHBondContact N-OE1 2.71Å |
| 331 | A | 90.4 | Very high | 91.3 | Very high | 13 Ų | 13 | 68.1 Ų | 68.1 | 11% | 0.107 | 35% | 0.352 | C | S | . | . | trans | -91 | 5.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I328 L329 K333 A334 L335 P346 Y348 | I328-A331 WeakPolarHBondContact O-CA 3.26Å; I328-A331 WeakPolarHBondContact O-CB 3.27Å; I328-A331 PolarHBondContact O-N 3.16Å; L329-A331 VanDerWaalsContact C-N 3.3Å; L329-A331 PolarHBondContact O-N 3.33Å; A331-K333 PolarHBondContact O-N 2.81Å; A331-A334 WeakPolarHBondContact O-CA 3.36Å; A331-A334 WeakPolarHBondContact O-CB 3.23Å; A331-A334 PolarHBondContact O-N 3.35Å; A331-L335 PolarHBondContact O-N 2.91Å; A331-P346 HydrophobicContact CB-CB 4.06Å; A331-P346 HydrophobicContact CB-CG 4.01Å; A331-Y348 WeakPolarHBondContact CB-O 3.27Å | ||
| 332 | E | 87.6 | Confident | 91 | Very high | 75 Ų | 75 | 75.7 Ų | 75.7 | 35% | 0.35 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -53.6 | -45.2 | -172.3 | -68.4 | 152.9 | -126.5 | 0 | 0 | 113.4 | G330 A334 L335 F336 | G330-E332 PolarHBondContact N-OE1 2.71Å; E332-A334 VanDerWaalsContact C-N 3.3Å; E332-A334 PolarHBondContact O-N 3.08Å; E332-L335 WeakPolarHBondContact O-CB 3.35Å; E332-L335 PolarHBondContact O-N 3.2Å; E332-L335 VanDerWaalsContact O-N 3.14Å; E332-F336 HydrophobicContact CB-CD2 4.38Å; E332-F336 HydrophobicContact CB-CE2 4.18Å; E332-F336 WeakPolarHBondContact O-CD2 3.49Å; E332-F336 PolarHBondContact O-N 3.07Å |
| 333 | K | 88.1 | Confident | 90.6 | Very high | 189 Ų | 189 | 74.4 Ų | 74.4 | 82% | 0.822 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -58.6 | -41.2 | 176.9 | -67.2 | -177.2 | -179.4 | 178 | 0 | 112 | A331 R337 | A331-K333 PolarHBondContact O-N 2.81Å; K333-R337 WeakPolarHBondContact O-CB 3.21Å; K333-R337 PolarHBondContact O-N 2.7Å |
| 334 | A | 89 | Confident | 90.2 | Very high | 35 Ų | 35 | 81.4 Ų | 81.4 | 29% | 0.289 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -71.3 | -35.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A331 E332 R337 A338 P346 | A331-A334 WeakPolarHBondContact O-CA 3.36Å; A331-A334 WeakPolarHBondContact O-CB 3.23Å; A331-A334 PolarHBondContact O-N 3.35Å; E332-A334 VanDerWaalsContact C-N 3.3Å; E332-A334 PolarHBondContact O-N 3.08Å; A334-R337 PolarHBondContact O-N 3.39Å; A334-A338 WeakPolarHBondContact O-CB 3.4Å; A334-A338 PolarHBondContact O-N 3.24Å; A334-P346 HydrophobicContact CB-CG 4.23Å |
| 335 | L | 88.5 | Confident | 90 | Very high | 31 Ų | 31 | 81.3 Ų | 81.3 | 16% | 0.162 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.8 | -49.8 | 173.6 | 179.3 | 63.5 | 0 | 0 | 0 | 111.7 | I328 A331 E332 R337 A338 L339 T345 P346 | I328-L335 HydrophobicContact CD1-CD2 3.47Å; I328-L335 VanDerWaalsContact CD1-CD2 3.47Å; A331-L335 PolarHBondContact O-N 2.91Å; E332-L335 WeakPolarHBondContact O-CB 3.35Å; E332-L335 PolarHBondContact O-N 3.2Å; E332-L335 VanDerWaalsContact O-N 3.14Å; L335-R337 VanDerWaalsContact C-N 3.29Å; L335-R337 PolarHBondContact O-N 2.8Å; L335-A338 PolarHBondContact O-N 2.77Å; L335-L339 HydrophobicContact CD1-CD1 4.25Å; L335-L339 HydrophobicContact CD1-CG 4.3Å; L335-L339 HydrophobicContact CG-CD1 4.06Å; L335-L339 WeakPolarHBondContact O-CG 3.38Å; L335-L339 PolarHBondContact O-N 3.06Å; L335-T345 HydrophobicContact CD1-CG2 3.82Å; L335-P346 HydrophobicContact CB-CG 3.9Å |
| 336 | F | 88.9 | Confident | 89.7 | Confident | 126 Ų | 126 | 80.7 Ų | 80.7 | 55% | 0.553 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.8 | -34.3 | 177.2 | -70.4 | -59.7 | 0 | 0 | 0 | 112.4 | E332 K340 | E332-F336 HydrophobicContact CB-CD2 4.38Å; E332-F336 HydrophobicContact CB-CE2 4.18Å; E332-F336 WeakPolarHBondContact O-CD2 3.49Å; E332-F336 PolarHBondContact O-N 3.07Å; F336-K340 VanDerWaalsContact O-CG 3.31Å; F336-K340 WeakPolarHBondContact O-CG 3.47Å; F336-K340 PolarHBondContact O-N 3.47Å; F336-K340 VanDerWaalsContact O-N 3.13Å |
| 337 | R | 90.7 | Very high | 89.3 | Confident | 172 Ų | 172 | 87.4 Ų | 87.4 | 65% | 0.649 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.3 | -50 | 171.3 | -174.1 | 173.1 | 65.7 | -156.4 | 2.1 | 111.2 | K333 A334 L335 L339 K340 T341 | K333-R337 WeakPolarHBondContact O-CB 3.21Å; K333-R337 PolarHBondContact O-N 2.7Å; A334-R337 PolarHBondContact O-N 3.39Å; L335-R337 VanDerWaalsContact C-N 3.29Å; L335-R337 PolarHBondContact O-N 2.8Å; R337-L339 PolarHBondContact O-N 3.29Å; R337-K340 PolarHBondContact O-N 3.21Å; R337-T341 PolarHBondContact O-N 3.47Å; R337-T341 PolarHBondContact O-OG1 2.89Å; R337-T341 VanDerWaalsContact O-OG1 3.13Å |
| 338 | A | 90.3 | Very high | 89 | Confident | 7 Ų | 7 | 90.5 Ų | 90.5 | 6% | 0.058 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A334 L335 T341 R342 G343 N344 T345 | A334-A338 WeakPolarHBondContact O-CB 3.4Å; A334-A338 PolarHBondContact O-N 3.24Å; L335-A338 PolarHBondContact O-N 2.77Å; A338-T341 PolarHBondContact O-N 3.5Å; A338-R342 CarbonylContact O-C 3.59Å; A338-R342 VanDerWaalsContact O-CA 3.25Å; A338-R342 WeakPolarHBondContact O-CA 3.46Å; A338-R342 PolarHBondContact O-N 3.35Å; A338-G343 PolarHBondContact O-N 3.24Å; A338-N344 WeakPolarHBondContact CB-O 3.5Å; A338-T345 HydrophobicContact CB-CG2 4.36Å |
| 339 | L | 90.1 | Very high | 88.8 | Confident | 106 Ų | 106 | 89.1 Ų | 89.1 | 56% | 0.555 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64 | -40 | 175.8 | -71.2 | 170.6 | 0 | 0 | 0 | 112.2 | L335 R337 | L335-L339 HydrophobicContact CD1-CD1 4.25Å; L335-L339 HydrophobicContact CD1-CG 4.3Å; L335-L339 HydrophobicContact CG-CD1 4.06Å; L335-L339 WeakPolarHBondContact O-CG 3.38Å; L335-L339 PolarHBondContact O-N 3.06Å; R337-L339 PolarHBondContact O-N 3.29Å |
| 340 | K | 93 | Very high | 88.7 | Confident | 186 Ų | 186 | 90 Ų | 90 | 81% | 0.809 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -67.1 | -41.9 | 175.7 | -74.6 | 176 | 179.7 | -175.3 | 0 | 112.7 | F336 R337 | F336-K340 VanDerWaalsContact O-CG 3.31Å; F336-K340 WeakPolarHBondContact O-CG 3.47Å; F336-K340 PolarHBondContact O-N 3.47Å; F336-K340 VanDerWaalsContact O-N 3.13Å; R337-K340 PolarHBondContact O-N 3.21Å |
| 341 | T | 90.6 | Very high | 88.7 | Confident | 101 Ų | 101 | 88.2 Ų | 88.2 | 62% | 0.62 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -88.7 | -0.6 | -178.6 | 62.2 | 0 | 0 | 0 | 0 | 114 | R337 A338 G343 | R337-T341 PolarHBondContact O-N 3.47Å; R337-T341 PolarHBondContact O-OG1 2.89Å; R337-T341 VanDerWaalsContact O-OG1 3.13Å; A338-T341 PolarHBondContact O-N 3.5Å; T341-G343 PolarHBondContact O-N 3.5Å; T341-G343 PolarHBondContact OG1-N 3.49Å |
| 342 | R | 87.4 | Confident | 88.6 | Confident | 240 Ų | 240 | 91 Ų | 91 | 91% | 0.906 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 30.6 | -166.8 | -59.3 | -177.2 | 178.2 | 178.7 | -0.4 | 113.3 | A338 | A338-R342 CarbonylContact O-C 3.59Å; A338-R342 VanDerWaalsContact O-CA 3.25Å; A338-R342 WeakPolarHBondContact O-CA 3.46Å; A338-R342 PolarHBondContact O-N 3.35Å |
| 343 | G | 88.1 | Confident | 88.5 | Confident | 35 Ų | 35 | 93.3 Ų | 93.3 | 36% | 0.361 | 45% | 0.449 | S | S | . | . | trans | -83.9 | -177.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A338 T341 T345 | A338-G343 PolarHBondContact O-N 3.24Å; T341-G343 PolarHBondContact O-N 3.5Å; T341-G343 PolarHBondContact OG1-N 3.49Å; G343-T345 PolarHBondContact O-N 3.22Å | ||
| 344 | N | 86.6 | Confident | 88.4 | Confident | 164 Ų | 164 | 84.4 Ų | 84.4 | 88% | 0.877 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 117.4 | 178.1 | -71 | -31.9 | 0 | 0 | 0 | 111.6 | A338 | A338-N344 WeakPolarHBondContact CB-O 3.5Š|
| 345 | T | 87.3 | Confident | 88.3 | Confident | 76 Ų | 76 | 86.5 Ų | 86.5 | 47% | 0.466 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 137.6 | 174.8 | 55 | 0 | 0 | 0 | 0 | 111.3 | L335 A338 G343 | L335-T345 HydrophobicContact CD1-CG2 3.82Å; A338-T345 HydrophobicContact CB-CG2 4.36Å; G343-T345 PolarHBondContact O-N 3.22Å |
| 346 | P | 87 | Confident | 88.2 | Confident | 33 Ų | 33 | 85.1 Ų | 85.1 | 21% | 0.214 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 139.1 | 176.4 | 27.4 | -34.7 | 0 | 0 | 0 | 111.1 | A331 A334 L335 | A331-P346 HydrophobicContact CB-CB 4.06Å; A331-P346 HydrophobicContact CB-CG 4.01Å; A334-P346 HydrophobicContact CB-CG 4.23Å; L335-P346 HydrophobicContact CB-CG 3.9Å |
| 347 | K | 84.4 | Confident | 88 | Confident | 141 Ų | 141 | 79.1 Ų | 79.1 | 61% | 0.613 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -93.8 | -7.7 | -178.6 | -67.5 | 178.8 | -178.4 | 171 | 0 | 113.8 | Q327 | Q327-K347 WeakPolarHBondContact CG-O 3.43Å; Q327-K347 PolarHBondContact NE2-O 2.79Å |
| 348 | Y | 87.7 | Confident | 87.8 | Confident | 87 Ų | 87 | 73.4 Ų | 73.4 | 34% | 0.341 | 38% | 0.381 | S | S | . | . | trans | -157.9 | 151.3 | -177.5 | 41.7 | -106.3 | 0 | 0 | 0 | 109.8 | Q327 A331 F352 | Q327-Y348 CarbonylContact O-C 3.57Å; Q327-Y348 WeakPolarHBondContact O-CA 3.35Å; A331-Y348 WeakPolarHBondContact CB-O 3.27Å; Y348-F352 HydrophobicContact CD1-CD2 4.11Å; Y348-F352 HydrophobicContact CD2-CB 3.6Å; Y348-F352 AromaticContact CD2-CD2 3.43Å; Y348-F352 HydrophobicContact CD2-CD2 3.43Å; Y348-F352 VanDerWaalsContact CD2-CD2 3.43Å; Y348-F352 HydrophobicContact CD2-CE2 4.27Å; Y348-F352 AromaticContact CD2-CG 3.67Å; Y348-F352 HydrophobicContact CD2-CG 3.67Å; Y348-F352 AromaticContact CE1-CD2 3.93Å; Y348-F352 HydrophobicContact CE1-CD2 3.93Å; Y348-F352 HydrophobicContact CE1-CE2 4.1Å; Y348-F352 HydrophobicContact CE2-CB 4.13Å; Y348-F352 HydrophobicContact CE2-CD1 4.39Å; Y348-F352 AromaticContact CE2-CD2 3.2Å; Y348-F352 HydrophobicContact CE2-CD2 3.2Å; Y348-F352 AromaticContact CE2-CE2 3.59Å; Y348-F352 HydrophobicContact CE2-CE2 3.59Å; Y348-F352 AromaticContact CE2-CG 3.66Å; Y348-F352 HydrophobicContact CE2-CG 3.66Å; Y348-F352 HydrophobicContact CE2-CZ 4.33Å; Y348-F352 HydrophobicContact CG-CB 4.15Å; Y348-F352 AromaticContact CG-CD2 3.87Å; Y348-F352 HydrophobicContact CG-CD2 3.87Å; Y348-F352 HydrophobicContact CG-CG 4.37Å; Y348-F352 AromaticContact CZ-CD2 3.47Å; Y348-F352 VanDerWaalsContact CZ-CD2 3.47Å; Y348-F352 AromaticContact CZ-CE2 3.48Å; Y348-F352 VanDerWaalsContact CZ-CE2 3.48Å | ||
| 349 | G | 88.3 | Confident | 87.6 | Confident | 12 Ų | 12 | 81 Ų | 81 | 12% | 0.124 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -114.4 | -128.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q327 L329 I351 F352 | Q327-G349 PolarHBondContact O-N 3.06Å; L329-G349 WeakPolarHBondContact O-CA 3.46Å; G349-I351 PolarHBondContact O-N 3.14Å; G349-F352 WeakPolarHBondContact O-CB 3.49Å; G349-F352 PolarHBondContact O-N 3.11Å |
| 350 | L | 89.5 | Confident | 87.5 | Confident | 24 Ų | 24 | 76.2 Ų | 76.2 | 13% | 0.126 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -54 | -29.9 | -174.7 | -66.3 | 160.8 | 0 | 0 | 0 | 114.2 | R307 L308 H311 L329 F352 H353 | R307-L350 HydrophobicContact CB-CD1 4.46Å; R307-L350 HydrophobicContact CB-CD2 4.47Å; L308-L350 HydrophobicContact CD2-CB 3.96Å; L308-L350 HydrophobicContact CD2-CD1 4.16Å; H311-L350 HydrophobicContact CB-CD1 4Å; H311-L350 VanDerWaalsContact CD2-CD1 3.41Å; H311-L350 WeakPolarHBondContact CD2-CD1 3.46Å; L329-L350 WeakPolarHBondContact O-CG 3.34Å; L329-L350 PolarHBondContact O-N 3.2Å; L350-F352 PolarHBondContact O-N 2.91Å; L350-F352 VanDerWaalsContact O-N 3.11Å; L350-H353 PolarHBondContact O-CD2 3.07Å; L350-H353 PolarHBondContact O-N 3.04Å; L350-H353 VanDerWaalsContact O-N 3.12Å |
| 351 | I | 89.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -59.5 | -22.3 | 176.9 | -52.9 | -174.9 | 0 | 0 | 0 | 111.7 | L308 V326 G349 H353 S354 I357 L372 A373 | L308-I351 HydrophobicContact CD1-CG1 4.25Å; L308-I351 HydrophobicContact CD2-CG1 4.12Å; V326-I351 HydrophobicContact CG1-CD1 3.9Å; V326-I351 VanDerWaalsContact O-CD1 3.31Å; V326-I351 WeakPolarHBondContact O-CD1 3.49Å; G349-I351 PolarHBondContact O-N 3.14Å; I351-H353 PolarHBondContact O-N 2.65Å; I351-S354 WeakPolarHBondContact O-CB 3.41Å; I351-S354 PolarHBondContact O-N 3.12Å; I351-S354 PolarHBondContact O-OG 3.18Å; I351-I357 HydrophobicContact CG2-CD1 3.86Å; I351-I357 WeakPolarHBondContact O-CD1 3.31Å; I351-L372 HydrophobicContact CG2-CB 4.5Å; I351-L372 HydrophobicContact CG2-CD2 3.55Å; I351-L372 HydrophobicContact CG2-CG 3.9Å; I351-A373 HydrophobicContact CD1-CB 3.99Å |
| 352 | F | 88.1 | Confident | 87.1 | Confident | 71 Ų | 71 | 69.6 Ų | 69.6 | 31% | 0.311 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -56.3 | -30.4 | 174.8 | -175.1 | -104.6 | 0 | 0 | 0 | 113.5 | Y348 G349 L350 S354 I357 K365 | Y348-F352 HydrophobicContact CD1-CD2 4.11Å; Y348-F352 HydrophobicContact CD2-CB 3.6Å; Y348-F352 AromaticContact CD2-CD2 3.43Å; Y348-F352 HydrophobicContact CD2-CD2 3.43Å; Y348-F352 VanDerWaalsContact CD2-CD2 3.43Å; Y348-F352 HydrophobicContact CD2-CE2 4.27Å; Y348-F352 AromaticContact CD2-CG 3.67Å; Y348-F352 HydrophobicContact CD2-CG 3.67Å; Y348-F352 AromaticContact CE1-CD2 3.93Å; Y348-F352 HydrophobicContact CE1-CD2 3.93Å; Y348-F352 HydrophobicContact CE1-CE2 4.1Å; Y348-F352 HydrophobicContact CE2-CB 4.13Å; Y348-F352 HydrophobicContact CE2-CD1 4.39Å; Y348-F352 AromaticContact CE2-CD2 3.2Å; Y348-F352 HydrophobicContact CE2-CD2 3.2Å; Y348-F352 AromaticContact CE2-CE2 3.59Å; Y348-F352 HydrophobicContact CE2-CE2 3.59Å; Y348-F352 AromaticContact CE2-CG 3.66Å; Y348-F352 HydrophobicContact CE2-CG 3.66Å; Y348-F352 HydrophobicContact CE2-CZ 4.33Å; Y348-F352 HydrophobicContact CG-CB 4.15Å; Y348-F352 AromaticContact CG-CD2 3.87Å; Y348-F352 HydrophobicContact CG-CD2 3.87Å; Y348-F352 HydrophobicContact CG-CG 4.37Å; Y348-F352 AromaticContact CZ-CD2 3.47Å; Y348-F352 VanDerWaalsContact CZ-CD2 3.47Å; Y348-F352 AromaticContact CZ-CE2 3.48Å; Y348-F352 VanDerWaalsContact CZ-CE2 3.48Å; G349-F352 WeakPolarHBondContact O-CB 3.49Å; G349-F352 PolarHBondContact O-N 3.11Å; L350-F352 PolarHBondContact O-N 2.91Å; L350-F352 VanDerWaalsContact O-N 3.11Å; F352-S354 PolarHBondContact O-N 3.4Å; F352-I357 HydrophobicContact CD2-CG2 3.63Å; F352-I357 HydrophobicContact CE2-CG2 4.04Å; F352-K365 HydrophobicContact CE2-CD 4.39Å |
| 353 | H | 84.5 | Confident | 87.1 | Confident | 123 Ų | 123 | 67.6 Ų | 67.6 | 57% | 0.569 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -76 | -0.7 | 176 | -57.3 | -70.2 | 0 | 0 | 0 | 113.7 | V304 L350 I351 | V304-H353 HydrophobicContact CG2-CB 4.38Å; L350-H353 PolarHBondContact O-CD2 3.07Å; L350-H353 PolarHBondContact O-N 3.04Å; L350-H353 VanDerWaalsContact O-N 3.12Å; I351-H353 PolarHBondContact O-N 2.65Å |
| 354 | S | 86.2 | Confident | 87.1 | Confident | 3 Ų | 3 | 67.3 Ų | 67.3 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -70.7 | 140.6 | 170.1 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | I351 F352 F356 I357 G358 L372 | I351-S354 WeakPolarHBondContact O-CB 3.41Å; I351-S354 PolarHBondContact O-N 3.12Å; I351-S354 PolarHBondContact O-OG 3.18Å; F352-S354 PolarHBondContact O-N 3.4Å; S354-F356 PolarHBondContact O-N 2.92Å; S354-F356 VanDerWaalsContact O-N 3.17Å; S354-I357 PolarHBondContact O-N 2.9Å; S354-I357 VanDerWaalsContact O-N 3.12Å; S354-G358 PolarHBondContact O-N 2.87Å; S354-L372 VanDerWaalsContact OG-CD2 3.26Å; S354-L372 WeakPolarHBondContact OG-CD2 3.49Å |
| 355 | T | 86.5 | Confident | 87.3 | Confident | 79 Ų | 79 | 61.8 Ų | 61.8 | 49% | 0.485 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.9 | -33.5 | -178.3 | 51.6 | 0 | 0 | 0 | 0 | 113.1 | I357 G358 R359 | T355-I357 PolarHBondContact O-N 3.07Å; T355-G358 PolarHBondContact O-N 3.31Å; T355-R359 WeakPolarHBondContact O-CG 3.4Å; T355-R359 PolarHBondContact O-N 3.47Å; T355-R359 VanDerWaalsContact O-N 3.11Å |
| 356 | F | 86.3 | Confident | 87.3 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62 | -40.1 | 177.5 | -54.4 | -71.1 | 0 | 0 | 0 | 113.5 | L299 S354 A360 L372 R398 V401 E402 | L299-F356 VanDerWaalsContact O-CE2 3.27Å; L299-F356 WeakPolarHBondContact O-CE2 3.4Å; S354-F356 PolarHBondContact O-N 2.92Å; S354-F356 VanDerWaalsContact O-N 3.17Å; F356-A360 WeakPolarHBondContact O-CB 3.21Å; F356-A360 PolarHBondContact O-N 2.96Å; F356-L372 HydrophobicContact CB-CD2 4.46Å; F356-L372 HydrophobicContact CD2-CD2 4.29Å; F356-R398 HydrophobicContact CE1-CG 4.49Å; F356-R398 HydrophobicContact CZ-CG 3.78Å; F356-V401 HydrophobicContact CB-CG1 4.14Å; F356-V401 HydrophobicContact CD1-CG1 3.8Å; F356-V401 HydrophobicContact CD2-CG1 4.21Å; F356-V401 HydrophobicContact CE1-CG1 4.33Å; F356-V401 HydrophobicContact CG-CG1 3.75Å; F356-E402 HydrophobicContact CD1-CG 4.29Å; F356-E402 HydrophobicContact CE1-CG 3.54Å; F356-E402 HydrophobicContact CZ-CG 4.43Å |
| 357 | I | 85.5 | Confident | 87.4 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -78.3 | -27 | 179.2 | -61.2 | -177.4 | 0 | 0 | 0 | 111.1 | I351 F352 S354 T355 K365 I368 L372 | I351-I357 HydrophobicContact CG2-CD1 3.86Å; I351-I357 WeakPolarHBondContact O-CD1 3.31Å; F352-I357 HydrophobicContact CD2-CG2 3.63Å; F352-I357 HydrophobicContact CE2-CG2 4.04Å; S354-I357 PolarHBondContact O-N 2.9Å; S354-I357 VanDerWaalsContact O-N 3.12Å; T355-I357 PolarHBondContact O-N 3.07Å; I357-K365 HydrophobicContact CG2-CB 4.3Å; I357-K365 HydrophobicContact CG2-CD 4.24Å; I357-K365 HydrophobicContact CG2-CG 4.27Å; I357-K365 WeakPolarHBondContact O-CE 3.21Å; I357-K365 PolarHBondContact O-NZ 3.4Å; I357-I368 HydrophobicContact CG1-CG2 4.43Å; I357-L372 HydrophobicContact CD1-CD2 4.4Å; I357-L372 HydrophobicContact CG1-CD2 4.4Å |
| 358 | G | 86.4 | Confident | 87.8 | Confident | 53 Ų | 53 | 58.5 Ų | 58.5 | 55% | 0.546 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.7 | -50.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S354 T355 | S354-G358 PolarHBondContact O-N 2.87Å; T355-G358 PolarHBondContact O-N 3.31Å |
| 359 | R | 87.1 | Confident | 88 | Confident | 167 Ų | 167 | 54.4 Ų | 54.4 | 63% | 0.63 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -68.5 | -34.8 | -179.2 | -67.8 | 175.9 | -178.7 | -178.6 | -1.3 | 113.8 | T355 L405 | T355-R359 WeakPolarHBondContact O-CG 3.4Å; T355-R359 PolarHBondContact O-N 3.47Å; T355-R359 VanDerWaalsContact O-N 3.11Å; R359-L405 HydrophobicContact CB-CD2 4.07Å |
| 360 | A | 86.7 | Confident | 88.2 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 3% | 0.033 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -59.5 | 134.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F356 K365 I368 L405 | F356-A360 WeakPolarHBondContact O-CB 3.21Å; F356-A360 PolarHBondContact O-N 2.96Å; A360-K365 HydrophobicContact CB-CG 3.97Å; A360-K365 WeakPolarHBondContact O-CE 3.39Å; A360-K365 WeakPolarHBondContact O-CG 3.47Å; A360-I368 HydrophobicContact CB-CD1 3.44Å; A360-I368 VanDerWaalsContact CB-CD1 3.44Å; A360-L405 HydrophobicContact CB-CD1 4.05Å |
| 361 | A | 88.4 | Confident | 88.4 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 50% | 0.496 | 32% | 0.316 | S | S | . | . | trans | -54 | 140.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K363 N364 K365 | A361-K363 VanDerWaalsContact C-N 3.27Å; A361-K363 PolarHBondContact O-N 3.5Å; A361-N364 WeakPolarHBondContact O-CA 3.22Å; A361-N364 PolarHBondContact O-N 3.14Å; A361-K365 PolarHBondContact O-N 3.2Å; A361-K365 VanDerWaalsContact O-N 3.12Å | ||
| 362 | A | 86.3 | Confident | 88.6 | Confident | 89 Ų | 89 | 62.2 Ų | 62.2 | 74% | 0.736 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -38.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N364 | A362-N364 VanDerWaalsContact C-N 3.3Å; A362-N364 PolarHBondContact O-N 3.48Å |
| 363 | K | 88 | Confident | 88.9 | Confident | 198 Ų | 198 | 58.9 Ų | 58.9 | 86% | 0.861 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -31.8 | 175.9 | -64.3 | -178.9 | -179.8 | 177.6 | 0 | 113 | A361 | A361-K363 VanDerWaalsContact C-N 3.27Å; A361-K363 PolarHBondContact O-N 3.5Å |
| 364 | N | 88.9 | Confident | 89.4 | Confident | 29 Ų | 29 | 56.5 Ų | 56.5 | 16% | 0.155 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -17.8 | -173.9 | -66.8 | -25 | 0 | 0 | 0 | 113.6 | A361 A362 G366 R367 I368 | A361-N364 WeakPolarHBondContact O-CA 3.22Å; A361-N364 PolarHBondContact O-N 3.14Å; A362-N364 VanDerWaalsContact C-N 3.3Å; A362-N364 PolarHBondContact O-N 3.48Å; N364-G366 VanDerWaalsContact C-N 3.26Å; N364-G366 PolarHBondContact O-N 3.47Å; N364-G366 VanDerWaalsContact O-N 3.11Å; N364-R367 WeakPolarHBondContact O-CA 3.27Å; N364-R367 WeakPolarHBondContact O-CB 3.44Å; N364-R367 PolarHBondContact O-N 2.96Å; N364-I368 HydrophobicContact CB-CD1 4.01Å; N364-I368 PolarHBondContact O-N 3.38Å |
| 365 | K | 89.5 | Confident | 89.8 | Confident | 47 Ų | 47 | 56.5 Ų | 56.5 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -46.6 | -44.4 | 179.7 | -71.1 | -168 | 178.8 | -159.9 | 0 | 113.7 | F352 I357 A360 A361 R367 S369 | F352-K365 HydrophobicContact CE2-CD 4.39Å; I357-K365 HydrophobicContact CG2-CB 4.3Å; I357-K365 HydrophobicContact CG2-CD 4.24Å; I357-K365 HydrophobicContact CG2-CG 4.27Å; I357-K365 WeakPolarHBondContact O-CE 3.21Å; I357-K365 PolarHBondContact O-NZ 3.4Å; A360-K365 HydrophobicContact CB-CG 3.97Å; A360-K365 WeakPolarHBondContact O-CE 3.39Å; A360-K365 WeakPolarHBondContact O-CG 3.47Å; A361-K365 PolarHBondContact O-N 3.2Å; A361-K365 VanDerWaalsContact O-N 3.12Å; K365-R367 PolarHBondContact O-N 2.86Å; K365-S369 WeakPolarHBondContact O-CB 3.21Å; K365-S369 PolarHBondContact O-N 3.45Å |
| 366 | G | 88.6 | Confident | 90.1 | Very high | 20 Ų | 20 | 52.9 Ų | 52.9 | 21% | 0.206 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.6 | -28.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | N364 R370 | N364-G366 VanDerWaalsContact C-N 3.26Å; N364-G366 PolarHBondContact O-N 3.47Å; N364-G366 VanDerWaalsContact O-N 3.11Å; G366-R370 PolarHBondContact O-N 3.22Å |
| 367 | R | 89.6 | Confident | 90.5 | Very high | 158 Ų | 158 | 53 Ų | 53 | 60% | 0.596 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -76.5 | -44.8 | 175.6 | -66.9 | 177.6 | 171.8 | -179 | -4.9 | 110.6 | N364 K365 R370 Y371 | N364-R367 WeakPolarHBondContact O-CA 3.27Å; N364-R367 WeakPolarHBondContact O-CB 3.44Å; N364-R367 PolarHBondContact O-N 2.96Å; K365-R367 PolarHBondContact O-N 2.86Å; R367-R370 PolarHBondContact O-N 2.89Å; R367-Y371 PolarHBondContact O-N 3.32Å; R367-Y371 VanDerWaalsContact O-N 3.12Å |
| 368 | I | 92 | Very high | 90.9 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 177.7 | -69 | 159.9 | 0 | 0 | 0 | 110.6 | I357 A360 N364 R370 Y371 L372 L405 Y408 | I357-I368 HydrophobicContact CG1-CG2 4.43Å; A360-I368 HydrophobicContact CB-CD1 3.44Å; A360-I368 VanDerWaalsContact CB-CD1 3.44Å; N364-I368 HydrophobicContact CB-CD1 4.01Å; N364-I368 PolarHBondContact O-N 3.38Å; I368-R370 PolarHBondContact O-N 3.43Å; I368-Y371 PolarHBondContact O-N 3.2Å; I368-Y371 VanDerWaalsContact O-N 3.15Å; I368-L372 WeakPolarHBondContact O-CB 3.47Å; I368-L372 PolarHBondContact O-N 3.2Å; I368-L405 HydrophobicContact CD1-CD1 3.78Å; I368-Y408 HydrophobicContact CD1-CD2 3.72Å; I368-Y408 HydrophobicContact CD1-CE2 4.17Å; I368-Y408 HydrophobicContact CG1-CD2 3.73Å; I368-Y408 HydrophobicContact CG1-CE2 3.66Å |
| 369 | S | 92.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56 | -45.5 | 173.7 | 179.5 | 0 | 0 | 0 | 0 | 113 | K365 L372 A373 | K365-S369 WeakPolarHBondContact O-CB 3.21Å; K365-S369 PolarHBondContact O-N 3.45Å; S369-L372 PolarHBondContact O-N 2.79Å; S369-A373 VanDerWaalsContact O-CB 3.31Å; S369-A373 WeakPolarHBondContact O-CB 3.47Å; S369-A373 PolarHBondContact O-N 2.74Å |
| 370 | R | 92.3 | Very high | 91.6 | Very high | 156 Ų | 156 | 45.7 Ų | 45.7 | 59% | 0.589 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -63.5 | -42.7 | 175.3 | -176.1 | -176.2 | -66.5 | 165.6 | -2.7 | 112.1 | G366 R367 I368 A373 N374 | G366-R370 PolarHBondContact O-N 3.22Å; R367-R370 PolarHBondContact O-N 2.89Å; I368-R370 PolarHBondContact O-N 3.43Å; R370-A373 PolarHBondContact O-N 3.25Å; R370-N374 VanDerWaalsContact O-CG 3.3Å; R370-N374 PolarHBondContact O-N 2.93Å; R370-N374 PolarHBondContact O-OD1 3.11Å |
| 371 | Y | 92.9 | Very high | 91.9 | Very high | 45 Ų | 45 | 50.6 Ų | 50.6 | 18% | 0.176 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.6 | -45.8 | 178.6 | -174.8 | -101.7 | 0 | 0 | 0 | 111.7 | R367 I368 N374 K375 Q400 V401 R404 | R367-Y371 PolarHBondContact O-N 3.32Å; R367-Y371 VanDerWaalsContact O-N 3.12Å; I368-Y371 PolarHBondContact O-N 3.2Å; I368-Y371 VanDerWaalsContact O-N 3.15Å; Y371-N374 WeakPolarHBondContact O-CB 3.09Å; Y371-N374 PolarHBondContact O-N 3.12Å; Y371-K375 HydrophobicContact CD1-CG 4.44Å; Y371-K375 HydrophobicContact CE1-CG 4.18Å; Y371-K375 WeakPolarHBondContact O-CG 3.41Å; Y371-K375 PolarHBondContact O-N 3.41Å; Y371-K375 WeakPolarHBondContact OH-CE 3.45Å; Y371-Q400 VanDerWaalsContact CE1-O 3.29Å; Y371-Q400 WeakPolarHBondContact CE1-O 3.49Å; Y371-Q400 PolarHBondContact OH-O 2.93Å; Y371-Q400 VanDerWaalsContact OH-O 3.11Å; Y371-V401 HydrophobicContact CD1-CG2 4.08Å; Y371-V401 HydrophobicContact CE1-CG2 3.89Å; Y371-R404 HydrophobicContact CD1-CB 4.01Å; Y371-R404 HydrophobicContact CD1-CG 3.84Å; Y371-R404 HydrophobicContact CD2-CG 4.41Å; Y371-R404 HydrophobicContact CE1-CB 3.6Å; Y371-R404 HydrophobicContact CE1-CG 3.8Å; Y371-R404 HydrophobicContact CE2-CG 4.38Å; Y371-R404 HydrophobicContact CG-CG 4.13Å |
| 372 | L | 93.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 175.9 | -177.8 | 55.2 | 0 | 0 | 0 | 111.4 | L299 I300 I351 S354 F356 I357 I368 S369 N374 K375 C376 V401 | L299-L372 HydrophobicContact CD1-CD1 4.21Å; L299-L372 HydrophobicContact CD2-CD1 4.35Å; L299-L372 HydrophobicContact CG-CD1 4.13Å; I300-L372 HydrophobicContact CG2-CD1 3.92Å; I300-L372 HydrophobicContact CG2-CD2 4.29Å; I300-L372 HydrophobicContact CG2-CG 4.33Å; I351-L372 HydrophobicContact CG2-CB 4.5Å; I351-L372 HydrophobicContact CG2-CD2 3.55Å; I351-L372 HydrophobicContact CG2-CG 3.9Å; S354-L372 VanDerWaalsContact OG-CD2 3.26Å; S354-L372 WeakPolarHBondContact OG-CD2 3.49Å; F356-L372 HydrophobicContact CB-CD2 4.46Å; F356-L372 HydrophobicContact CD2-CD2 4.29Å; I357-L372 HydrophobicContact CD1-CD2 4.4Å; I357-L372 HydrophobicContact CG1-CD2 4.4Å; I368-L372 WeakPolarHBondContact O-CB 3.47Å; I368-L372 PolarHBondContact O-N 3.2Å; S369-L372 PolarHBondContact O-N 2.79Å; L372-N374 VanDerWaalsContact C-N 3.31Å; L372-N374 PolarHBondContact O-N 3.31Å; L372-K375 CarbonylContact O-C 3.53Å; L372-K375 PolarHBondContact O-N 2.76Å; L372-C376 PolarHBondContact O-N 3.47Å; L372-C376 PolarHBondContact O-SG 3.02Å; L372-V401 HydrophobicContact CD1-CG1 4.39Å; L372-V401 HydrophobicContact CD1-CG2 4.11Å |
| 373 | A | 94.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60 | -38.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V326 Q327 I351 S369 R370 C376 S377 | V326-A373 HydrophobicContact CG1-CB 4.44Å; Q327-A373 HydrophobicContact CB-CB 3.75Å; Q327-A373 HydrophobicContact CG-CB 4.42Å; I351-A373 HydrophobicContact CD1-CB 3.99Å; S369-A373 VanDerWaalsContact O-CB 3.31Å; S369-A373 WeakPolarHBondContact O-CB 3.47Å; S369-A373 PolarHBondContact O-N 2.74Å; R370-A373 PolarHBondContact O-N 3.25Å; A373-C376 PolarHBondContact O-N 2.89Å; A373-S377 WeakPolarHBondContact O-CB 3.4Å; A373-S377 PolarHBondContact O-N 3.39Å |
| 374 | N | 95 | Very high | 92.5 | Very high | 73 Ų | 73 | 36.9 Ų | 36.9 | 39% | 0.39 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 171.6 | -68.8 | -15.2 | 0 | 0 | 0 | 111.4 | A323 R370 Y371 L372 S377 I378 | A323-N374 HydrophobicContact CB-CB 4.42Å; A323-N374 WeakPolarHBondContact CB-OD1 3.45Å; R370-N374 VanDerWaalsContact O-CG 3.3Å; R370-N374 PolarHBondContact O-N 2.93Å; R370-N374 PolarHBondContact O-OD1 3.11Å; Y371-N374 WeakPolarHBondContact O-CB 3.09Å; Y371-N374 PolarHBondContact O-N 3.12Å; L372-N374 VanDerWaalsContact C-N 3.31Å; L372-N374 PolarHBondContact O-N 3.31Å; N374-S377 PolarHBondContact O-N 3.31Å; N374-I378 WeakPolarHBondContact O-CG1 3.23Å; N374-I378 PolarHBondContact O-N 3.12Å; N374-I378 VanDerWaalsContact O-N 3.14Å |
| 375 | K | 94 | Very high | 92.5 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67 | -40.1 | 178 | -60 | -41.6 | -161.5 | 149.9 | 0 | 112.4 | L299 Y371 L372 S377 I378 A379 L397 V401 N417 | L299-K375 HydrophobicContact CD2-CB 3.82Å; Y371-K375 HydrophobicContact CD1-CG 4.44Å; Y371-K375 HydrophobicContact CE1-CG 4.18Å; Y371-K375 WeakPolarHBondContact O-CG 3.41Å; Y371-K375 PolarHBondContact O-N 3.41Å; Y371-K375 WeakPolarHBondContact OH-CE 3.45Å; L372-K375 CarbonylContact O-C 3.53Å; L372-K375 PolarHBondContact O-N 2.76Å; K375-S377 VanDerWaalsContact C-N 3.34Å; K375-S377 PolarHBondContact O-N 3.24Å; K375-I378 HydrophobicContact CD-CD1 4.46Å; K375-I378 PolarHBondContact O-N 3.13Å; K375-A379 WeakPolarHBondContact O-CB 3.28Å; K375-A379 PolarHBondContact O-N 3.46Å; K375-L397 HydrophobicContact CB-CD2 4.33Å; K375-L397 HydrophobicContact CD-CD2 3.8Å; K375-L397 HydrophobicContact CG-CD2 4.32Å; K375-V401 HydrophobicContact CB-CG2 4.43Å; K375-V401 HydrophobicContact CG-CG2 3.95Å; K375-N417 PolarHBondContact NZ-OD1 3.21Å |
| 376 | C | 94 | Very high | 92.4 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.8 | -39.8 | 174.2 | -65.4 | 0 | 0 | 0 | 0 | 112.2 | L296 L299 V326 L372 A373 I378 A379 S380 | L296-C376 HydrophobicContact CD1-CB 4.14Å; L299-C376 HydrophobicContact CD2-CB 4.47Å; V326-C376 HydrophobicContact CG1-CB 4.28Å; L372-C376 PolarHBondContact O-N 3.47Å; L372-C376 PolarHBondContact O-SG 3.02Å; A373-C376 PolarHBondContact O-N 2.89Å; C376-I378 VanDerWaalsContact C-N 3.33Å; C376-A379 PolarHBondContact O-N 3.17Å; C376-S380 WeakPolarHBondContact O-CB 3.11Å; C376-S380 PolarHBondContact O-N 3.47Å; C376-S380 PolarHBondContact O-OG 2.91Å; C376-S380 VanDerWaalsContact O-OG 3.09Å |
| 377 | S | 94.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.8 | -32.3 | 175.7 | -174.9 | 0 | 0 | 0 | 0 | 112.5 | A373 N374 K375 S380 R381 | A373-S377 WeakPolarHBondContact O-CB 3.4Å; A373-S377 PolarHBondContact O-N 3.39Å; N374-S377 PolarHBondContact O-N 3.31Å; K375-S377 VanDerWaalsContact C-N 3.34Å; K375-S377 PolarHBondContact O-N 3.24Å; S377-S380 PolarHBondContact O-OG 2.79Å; S377-R381 VanDerWaalsContact O-CD 3.28Å; S377-R381 WeakPolarHBondContact O-CD 3.44Å; S377-R381 WeakPolarHBondContact O-CG 3.45Å; S377-R381 PolarHBondContact O-N 3.1Å |
| 378 | I | 93.7 | Very high | 91.6 | Very high | 65 Ų | 65 | 43.7 Ų | 43.7 | 33% | 0.333 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -71 | -49.9 | 171.8 | -66.1 | 164.5 | 0 | 0 | 0 | 110.3 | N374 K375 C376 S380 R381 I382 L397 M421 | N374-I378 WeakPolarHBondContact O-CG1 3.23Å; N374-I378 PolarHBondContact O-N 3.12Å; N374-I378 VanDerWaalsContact O-N 3.14Å; K375-I378 HydrophobicContact CD-CD1 4.46Å; K375-I378 PolarHBondContact O-N 3.13Å; C376-I378 VanDerWaalsContact C-N 3.33Å; I378-S380 PolarHBondContact O-N 2.65Å; I378-R381 PolarHBondContact O-N 3.33Å; I378-I382 HydrophobicContact CG2-CD1 3.86Å; I378-I382 WeakPolarHBondContact O-CG1 3.23Å; I378-I382 PolarHBondContact O-N 3.27Å; I378-L397 HydrophobicContact CG2-CD1 4.27Å; I378-M421 HydrophobicContact CG2-CE 4.22Å |
| 379 | A | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.1 | -46.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L299 K375 C376 R381 I382 D383 L397 | L299-A379 HydrophobicContact CD2-CB 4.15Å; K375-A379 WeakPolarHBondContact O-CB 3.28Å; K375-A379 PolarHBondContact O-N 3.46Å; C376-A379 PolarHBondContact O-N 3.17Å; A379-R381 VanDerWaalsContact C-N 3.29Å; A379-R381 PolarHBondContact O-N 2.92Å; A379-I382 PolarHBondContact O-N 2.83Å; A379-D383 PolarHBondContact O-N 3.45Å; A379-L397 HydrophobicContact CB-CD1 3.86Å |
| 380 | S | 93.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.2 | -30.2 | 179.2 | 63.2 | 0 | 0 | 0 | 0 | 113.2 | C376 S377 I378 C384 | C376-S380 WeakPolarHBondContact O-CB 3.11Å; C376-S380 PolarHBondContact O-N 3.47Å; C376-S380 PolarHBondContact O-OG 2.91Å; C376-S380 VanDerWaalsContact O-OG 3.09Å; S377-S380 PolarHBondContact O-OG 2.79Å; I378-S380 PolarHBondContact O-N 2.65Å; S380-C384 WeakPolarHBondContact O-CB 3.31Å; S380-C384 PolarHBondContact O-N 3.16Å |
| 381 | R | 94.3 | Very high | 90.6 | Very high | 106 Ų | 106 | 40 Ų | 40 | 40% | 0.4 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -70.9 | -42.7 | 172.4 | -72.6 | 169 | -175.3 | 177.7 | 4.5 | 111.9 | A319 Y321 S377 I378 A379 C384 F385 | A319-R381 HydrophobicContact CB-CG 3.92Å; A319-R381 WeakPolarHBondContact O-CG 3.45Å; A319-R381 PolarHBondContact O-NE 2.98Å; Y321-R381 PolarHBondContact O-NH2 3.46Å; S377-R381 VanDerWaalsContact O-CD 3.28Å; S377-R381 WeakPolarHBondContact O-CD 3.44Å; S377-R381 WeakPolarHBondContact O-CG 3.45Å; S377-R381 PolarHBondContact O-N 3.1Å; I378-R381 PolarHBondContact O-N 3.33Å; A379-R381 VanDerWaalsContact C-N 3.29Å; A379-R381 PolarHBondContact O-N 2.92Å; R381-C384 PolarHBondContact O-N 3.12Å; R381-F385 HydrophobicContact CB-CD2 4.47Å; R381-F385 WeakPolarHBondContact O-CB 3.21Å; R381-F385 WeakPolarHBondContact O-CD2 3.47Å; R381-F385 PolarHBondContact O-N 3.38Å |
| 382 | I | 92.1 | Very high | 90.5 | Very high | 39 Ų | 39 | 38.8 Ų | 38.8 | 20% | 0.2 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.9 | -49.8 | 175.8 | -66.8 | 168.9 | 0 | 0 | 0 | 110.1 | I378 A379 C384 F385 S386 F393 | I378-I382 HydrophobicContact CG2-CD1 3.86Å; I378-I382 WeakPolarHBondContact O-CG1 3.23Å; I378-I382 PolarHBondContact O-N 3.27Å; A379-I382 PolarHBondContact O-N 2.83Å; I382-C384 VanDerWaalsContact C-N 3.35Å; I382-C384 PolarHBondContact O-N 3.47Å; I382-F385 PolarHBondContact O-N 3.27Å; I382-S386 WeakPolarHBondContact O-CB 3.48Å; I382-S386 PolarHBondContact O-N 3.11Å; I382-F393 HydrophobicContact CD1-CB 4.13Å; I382-F393 HydrophobicContact CD1-CD1 4.28Å; I382-F393 HydrophobicContact CD1-CG 4.13Å; I382-F393 HydrophobicContact CG2-CB 4.39Å; I382-F393 HydrophobicContact CG2-CD2 3.73Å; I382-F393 HydrophobicContact CG2-CE2 4.26Å; I382-F393 HydrophobicContact CG2-CG 4.18Å |
| 383 | D | 92.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -39.3 | 179 | -73.2 | -29.3 | 0 | 0 | 0 | 112.5 | A293 P294 S295 L296 A379 | A293-D383 VanDerWaalsContact C-OD2 3.3Å; A293-D383 VanDerWaalsContact CA-CG 3.47Å; A293-D383 WeakPolarHBondContact CA-OD2 3.25Å; A293-D383 HydrophobicContact CB-CB 4Å; A293-D383 WeakPolarHBondContact CB-OD2 3.39Å; P294-D383 WeakPolarHBondContact CD-OD1 3.27Å; S295-D383 WeakPolarHBondContact CB-OD1 2.98Å; S295-D383 WeakPolarHBondContact CB-OD2 3.4Å; S295-D383 PolarHBondContact N-OD1 3.1Å; S295-D383 PolarHBondContact N-OD2 2.98Å; S295-D383 VanDerWaalsContact N-OD2 3.17Å; S295-D383 PolarHBondContact OG-OD1 3.39Å; L296-D383 WeakPolarHBondContact CB-OD2 3.16Å; L296-D383 PolarHBondContact N-OD2 3Å; A379-D383 PolarHBondContact O-N 3.45Å |
| 384 | C | 90.5 | Very high | 90.2 | Very high | 19 Ų | 19 | 40.3 Ų | 40.3 | 13% | 0.128 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.1 | -40.8 | -180 | -170.2 | 0 | 0 | 0 | 0 | 113.4 | R163 L315 A319 S380 R381 I382 | R163-C384 PolarHBondContact NH1-O 2.81Å; L315-C384 HydrophobicContact CD2-CB 4.35Å; L315-C384 HydrophobicContact CG-CB 4.1Å; A319-C384 HydrophobicContact CB-CB 3.94Å; S380-C384 WeakPolarHBondContact O-CB 3.31Å; S380-C384 PolarHBondContact O-N 3.16Å; R381-C384 PolarHBondContact O-N 3.12Å; I382-C384 VanDerWaalsContact C-N 3.35Å; I382-C384 PolarHBondContact O-N 3.47Å |
| 385 | F | 89.8 | Confident | 90 | Very high | 142 Ų | 142 | 41.3 Ų | 41.3 | 62% | 0.623 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -108.1 | -15.6 | -167.7 | -65.5 | -66.1 | 0 | 0 | 0 | 115.6 | A319 R381 I382 | A319-F385 HydrophobicContact CB-CE2 4.14Å; R381-F385 HydrophobicContact CB-CD2 4.47Å; R381-F385 WeakPolarHBondContact O-CB 3.21Å; R381-F385 WeakPolarHBondContact O-CD2 3.47Å; R381-F385 PolarHBondContact O-N 3.38Å; I382-F385 PolarHBondContact O-N 3.27Å |
| 386 | S | 86.1 | Confident | 89.9 | Confident | 42 Ų | 42 | 42.5 Ų | 42.5 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | trans | -61.8 | 151.3 | 165.5 | 180 | 0 | 0 | 0 | 0 | 110 | R163 I382 V388 | R163-S386 PolarHBondContact NH1-O 3.46Å; R163-S386 PolarHBondContact NH2-O 3.39Å; I382-S386 WeakPolarHBondContact O-CB 3.48Å; I382-S386 PolarHBondContact O-N 3.11Å; S386-V388 PolarHBondContact OG-N 3.39Å; S386-V388 PolarHBondContact OG-O 3Å | ||
| 387 | E | 79.1 | Confident | 89.9 | Confident | 178 Ų | 178 | 42.4 Ų | 42.4 | 83% | 0.832 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -80.8 | -31.3 | 171.4 | -66.1 | -165.8 | 160.1 | 0 | 0 | 113 | R163 | R163-E387 PolarHBondContact NH2-O 2.87Š|
| 388 | V | 81.7 | Confident | 89.7 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 22% | 0.218 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -128.9 | 101.8 | 175.7 | -179.2 | 0 | 0 | 0 | 0 | 107.2 | S386 I435 T436 | S386-V388 PolarHBondContact OG-N 3.39Å; S386-V388 PolarHBondContact OG-O 3Å; V388-I435 HydrophobicContact CG1-CB 4.08Å; V388-I435 HydrophobicContact CG1-CD1 4.16Å; V388-I435 HydrophobicContact CG1-CG2 3.59Å; V388-T436 HydrophobicContact CG2-CG2 4.29Å |
| 389 | P | 81.8 | Confident | 89.7 | Confident | 27 Ų | 27 | 46.7 Ų | 46.7 | 18% | 0.175 | 23% | 0.226 | C | C | . | . | trans | -76.2 | 138.3 | -177.8 | 33.9 | -35.3 | 0 | 0 | 0 | 109.9 | P294 | P294-P389 HydrophobicContact CG-CB 3.67Å; P294-P389 HydrophobicContact CG-CG 4.12Å | ||
| 390 | T | 86.8 | Confident | 89.5 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 5% | 0.049 | 23% | 0.227 | C | C | . | . | trans | -124.1 | 148.4 | -176.1 | 56.3 | 0 | 0 | 0 | 0 | 110.4 | S295 V392 A431 A432 I435 | S295-T390 PolarHBondContact OG-O 2.93Å; T390-V392 VanDerWaalsContact C-N 3.32Å; T390-A431 HydrophobicContact CG2-CB 4.28Å; T390-A432 HydrophobicContact CG2-CB 4.42Å; T390-I435 HydrophobicContact CG2-CD1 3.97Å | ||
| 391 | S | 88.6 | Confident | 89.4 | Confident | 48 Ų | 48 | 46.8 Ų | 46.8 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -74.4 | -23.3 | -180 | 62 | 0 | 0 | 0 | 0 | 113.6 | F393 G394 E395 | S391-F393 VanDerWaalsContact C-N 3.3Å; S391-F393 PolarHBondContact O-N 3.48Å; S391-G394 WeakPolarHBondContact O-CA 3.25Å; S391-G394 PolarHBondContact O-N 3.12Å; S391-E395 WeakPolarHBondContact CB-OE1 3.46Å; S391-E395 PolarHBondContact O-N 2.86Å; S391-E395 PolarHBondContact OG-OE1 2.74Å |
| 392 | V | 90.7 | Very high | 89.3 | Confident | 19 Ų | 19 | 45.2 Ų | 45.2 | 12% | 0.115 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -46.4 | -48.2 | -177.5 | 179.7 | 0 | 0 | 0 | 0 | 112.6 | T390 G394 E395 K396 A424 Q427 A431 | T390-V392 VanDerWaalsContact C-N 3.32Å; V392-G394 VanDerWaalsContact C-N 3.34Å; V392-G394 PolarHBondContact O-N 3.15Å; V392-E395 PolarHBondContact O-N 2.81Å; V392-K396 WeakPolarHBondContact O-CG 3.45Å; V392-K396 PolarHBondContact O-N 3.11Å; V392-A424 HydrophobicContact CG1-CB 4.5Å; V392-Q427 HydrophobicContact CG1-CB 3.58Å; V392-A431 HydrophobicContact CG2-CB 4.13Å |
| 393 | F | 90.4 | Very high | 89.2 | Confident | 31 Ų | 31 | 45.3 Ų | 45.3 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.8 | -38.9 | 178.2 | -68.2 | -68.1 | 0 | 0 | 0 | 112.2 | I382 S391 L397 M421 A424 M425 A428 | I382-F393 HydrophobicContact CD1-CB 4.13Å; I382-F393 HydrophobicContact CD1-CD1 4.28Å; I382-F393 HydrophobicContact CD1-CG 4.13Å; I382-F393 HydrophobicContact CG2-CB 4.39Å; I382-F393 HydrophobicContact CG2-CD2 3.73Å; I382-F393 HydrophobicContact CG2-CE2 4.26Å; I382-F393 HydrophobicContact CG2-CG 4.18Å; S391-F393 VanDerWaalsContact C-N 3.3Å; S391-F393 PolarHBondContact O-N 3.48Å; F393-L397 WeakPolarHBondContact O-CB 3.25Å; F393-L397 WeakPolarHBondContact O-CG 3.2Å; F393-L397 PolarHBondContact O-N 3.29Å; F393-M421 HydrophobicContact CD1-SD 4.42Å; F393-A424 HydrophobicContact CD1-CB 3.67Å; F393-A424 HydrophobicContact CE1-CB 3.79Å; F393-M425 HydrophobicContact CE1-CG 4.21Å; F393-M425 HydrophobicContact CZ-CG 4.34Å; F393-A428 HydrophobicContact CD2-CB 4.11Å; F393-A428 HydrophobicContact CE1-CB 4.31Å; F393-A428 HydrophobicContact CE2-CB 3.33Å; F393-A428 HydrophobicContact CZ-CB 3.45Å; F393-A428 VanDerWaalsContact CZ-CB 3.45Å |
| 394 | G | 90.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.1 | -40.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | S295 S391 V392 L397 R398 | S295-G394 VanDerWaalsContact O-CA 3.27Å; S295-G394 WeakPolarHBondContact O-CA 3.35Å; S391-G394 WeakPolarHBondContact O-CA 3.25Å; S391-G394 PolarHBondContact O-N 3.12Å; V392-G394 VanDerWaalsContact C-N 3.34Å; V392-G394 PolarHBondContact O-N 3.15Å; G394-L397 PolarHBondContact O-N 3.12Å; G394-R398 VanDerWaalsContact O-CB 3.29Å; G394-R398 WeakPolarHBondContact O-CB 3.47Å; G394-R398 PolarHBondContact O-N 3.3Å |
| 395 | E | 92.4 | Very high | 89 | Confident | 94 Ų | 94 | 48.1 Ų | 48.1 | 44% | 0.439 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64 | -47.9 | 175.9 | -69 | 162.6 | -141 | 0 | 0 | 111.2 | A298 S391 V392 L397 R398 E399 | A298-E395 HydrophobicContact CB-CG 4.23Å; S391-E395 WeakPolarHBondContact CB-OE1 3.46Å; S391-E395 PolarHBondContact O-N 2.86Å; S391-E395 PolarHBondContact OG-OE1 2.74Å; V392-E395 PolarHBondContact O-N 2.81Å; E395-L397 PolarHBondContact O-N 3.48Å; E395-R398 WeakPolarHBondContact O-CA 3.17Å; E395-R398 VanDerWaalsContact O-CB 3.29Å; E395-R398 WeakPolarHBondContact O-CB 3.33Å; E395-R398 PolarHBondContact O-N 2.89Å; E395-R398 VanDerWaalsContact O-N 3.08Å; E395-E399 PolarHBondContact O-N 3.08Å |
| 396 | K | 91.6 | Very high | 88.9 | Confident | 29 Ų | 29 | 43 Ų | 43 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.9 | -34.5 | 174.9 | -69.1 | -47 | -168 | -173.7 | 0 | 113.8 | V392 R398 E399 Q400 V420 A424 | V392-K396 WeakPolarHBondContact O-CG 3.45Å; V392-K396 PolarHBondContact O-N 3.11Å; K396-R398 VanDerWaalsContact C-N 3.3Å; K396-E399 WeakPolarHBondContact CD-OE2 3.41Å; K396-E399 IonicContact NZ-OE1 2.84Å; K396-E399 PolarHBondContact NZ-OE1 3.45Å; K396-E399 IonicContact NZ-OE2 3.82Å; K396-E399 PolarHBondContact NZ-OE2 2.9Å; K396-Q400 WeakPolarHBondContact O-CG 3.21Å; K396-Q400 PolarHBondContact O-N 3.43Å; K396-V420 HydrophobicContact CB-CG1 3.82Å; K396-V420 HydrophobicContact CD-CG1 4.33Å; K396-V420 HydrophobicContact CG-CG1 4.33Å; K396-A424 HydrophobicContact CB-CB 4.15Å; K396-A424 HydrophobicContact CG-CB 3.94Å |
| 397 | L | 92.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.7 | -31.2 | 171.1 | -77.7 | 177.8 | 0 | 0 | 0 | 112.4 | L299 K375 I378 A379 F393 G394 E395 V401 M421 | L299-L397 HydrophobicContact CD1-CB 4.02Å; L299-L397 HydrophobicContact CD2-CB 4.48Å; K375-L397 HydrophobicContact CB-CD2 4.33Å; K375-L397 HydrophobicContact CD-CD2 3.8Å; K375-L397 HydrophobicContact CG-CD2 4.32Å; I378-L397 HydrophobicContact CG2-CD1 4.27Å; A379-L397 HydrophobicContact CB-CD1 3.86Å; F393-L397 WeakPolarHBondContact O-CB 3.25Å; F393-L397 WeakPolarHBondContact O-CG 3.2Å; F393-L397 PolarHBondContact O-N 3.29Å; G394-L397 PolarHBondContact O-N 3.12Å; E395-L397 PolarHBondContact O-N 3.48Å; L397-V401 WeakPolarHBondContact O-CG2 3.37Å; L397-V401 PolarHBondContact O-N 3.17Å; L397-M421 HydrophobicContact CD2-CE 3.44Å; L397-M421 VanDerWaalsContact CD2-CE 3.44Å; L397-M421 HydrophobicContact CG-CE 4.03Å |
| 398 | R | 91.7 | Very high | 89.5 | Confident | 88 Ų | 88 | 38.1 Ų | 38.1 | 33% | 0.332 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -71.7 | -47.4 | 176.4 | -172.5 | -161.8 | 171.9 | 111.3 | 0.4 | 111.3 | A298 L299 F356 G394 E395 K396 Q400 V401 E402 | A298-R398 PolarHBondContact O-NH1 3.16Å; L299-R398 HydrophobicContact CD1-CB 4.2Å; F356-R398 HydrophobicContact CE1-CG 4.49Å; F356-R398 HydrophobicContact CZ-CG 3.78Å; G394-R398 VanDerWaalsContact O-CB 3.29Å; G394-R398 WeakPolarHBondContact O-CB 3.47Å; G394-R398 PolarHBondContact O-N 3.3Å; E395-R398 WeakPolarHBondContact O-CA 3.17Å; E395-R398 VanDerWaalsContact O-CB 3.29Å; E395-R398 WeakPolarHBondContact O-CB 3.33Å; E395-R398 PolarHBondContact O-N 2.89Å; E395-R398 VanDerWaalsContact O-N 3.08Å; K396-R398 VanDerWaalsContact C-N 3.3Å; R398-Q400 PolarHBondContact O-N 3.45Å; R398-V401 WeakPolarHBondContact O-CA 3.48Å; R398-V401 PolarHBondContact O-N 3.44Å; R398-E402 IonicContact CZ-OE1 3.64Å; R398-E402 IonicContact NE-OE1 3.69Å; R398-E402 PolarHBondContact NE-OE1 2.95Å; R398-E402 IonicContact NH2-OE1 2.7Å; R398-E402 PolarHBondContact NH2-OE1 3.33Å; R398-E402 PolarHBondContact O-N 3.46Å |
| 399 | E | 92.3 | Very high | 89.7 | Confident | 72 Ų | 72 | 42.9 Ų | 42.9 | 34% | 0.336 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -49.1 | -47.9 | 171.1 | -71.8 | 174.1 | -165.6 | 0 | 0 | 110.4 | E395 K396 V401 E402 E403 | E395-E399 PolarHBondContact O-N 3.08Å; K396-E399 WeakPolarHBondContact CD-OE2 3.41Å; K396-E399 IonicContact NZ-OE1 2.84Å; K396-E399 PolarHBondContact NZ-OE1 3.45Å; K396-E399 IonicContact NZ-OE2 3.82Å; K396-E399 PolarHBondContact NZ-OE2 2.9Å; E399-V401 VanDerWaalsContact C-N 3.26Å; E399-V401 PolarHBondContact O-N 3.09Å; E399-E402 PolarHBondContact O-N 3.41Å; E399-E402 VanDerWaalsContact O-N 3.12Å; E399-E403 WeakPolarHBondContact O-CG 3.27Å; E399-E403 PolarHBondContact O-N 3.3Å |
| 400 | Q | 91.5 | Very high | 90 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.9 | -20.6 | 177.3 | -73.3 | 175.9 | -13.4 | 0 | 0 | 115.6 | Y371 K396 R398 R404 V420 | Y371-Q400 VanDerWaalsContact CE1-O 3.29Å; Y371-Q400 WeakPolarHBondContact CE1-O 3.49Å; Y371-Q400 PolarHBondContact OH-O 2.93Å; Y371-Q400 VanDerWaalsContact OH-O 3.11Å; K396-Q400 WeakPolarHBondContact O-CG 3.21Å; K396-Q400 PolarHBondContact O-N 3.43Å; R398-Q400 PolarHBondContact O-N 3.45Å; Q400-R404 VanDerWaalsContact O-CB 3.31Å; Q400-R404 WeakPolarHBondContact O-CB 3.48Å; Q400-R404 PolarHBondContact O-N 3.21Å; Q400-V420 HydrophobicContact CG-CG1 4.12Å; Q400-V420 HydrophobicContact CG-CG2 4.45Å; Q400-V420 VanDerWaalsContact NE2-CG1 3.3Å |
| 401 | V | 91.5 | Very high | 89.9 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -86.3 | -34.8 | 173 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | L299 F356 Y371 L372 K375 L397 R398 E399 R404 L405 | L299-V401 HydrophobicContact CD1-CG2 4.16Å; F356-V401 HydrophobicContact CB-CG1 4.14Å; F356-V401 HydrophobicContact CD1-CG1 3.8Å; F356-V401 HydrophobicContact CD2-CG1 4.21Å; F356-V401 HydrophobicContact CE1-CG1 4.33Å; F356-V401 HydrophobicContact CG-CG1 3.75Å; Y371-V401 HydrophobicContact CD1-CG2 4.08Å; Y371-V401 HydrophobicContact CE1-CG2 3.89Å; L372-V401 HydrophobicContact CD1-CG1 4.39Å; L372-V401 HydrophobicContact CD1-CG2 4.11Å; K375-V401 HydrophobicContact CB-CG2 4.43Å; K375-V401 HydrophobicContact CG-CG2 3.95Å; L397-V401 WeakPolarHBondContact O-CG2 3.37Å; L397-V401 PolarHBondContact O-N 3.17Å; R398-V401 WeakPolarHBondContact O-CA 3.48Å; R398-V401 PolarHBondContact O-N 3.44Å; E399-V401 VanDerWaalsContact C-N 3.26Å; E399-V401 PolarHBondContact O-N 3.09Å; V401-R404 PolarHBondContact O-N 2.95Å; V401-L405 PolarHBondContact O-N 2.85Å |
| 402 | E | 90.9 | Very high | 89.7 | Confident | 74 Ų | 74 | 51.4 Ų | 51.4 | 35% | 0.346 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.9 | -47.7 | 173.7 | -69 | 179.4 | -174.8 | 0 | 0 | 111.1 | F356 R398 E399 R404 L405 S406 | F356-E402 HydrophobicContact CD1-CG 4.29Å; F356-E402 HydrophobicContact CE1-CG 3.54Å; F356-E402 HydrophobicContact CZ-CG 4.43Å; R398-E402 IonicContact CZ-OE1 3.64Å; R398-E402 IonicContact NE-OE1 3.69Å; R398-E402 PolarHBondContact NE-OE1 2.95Å; R398-E402 IonicContact NH2-OE1 2.7Å; R398-E402 PolarHBondContact NH2-OE1 3.33Å; R398-E402 PolarHBondContact O-N 3.46Å; E399-E402 PolarHBondContact O-N 3.41Å; E399-E402 VanDerWaalsContact O-N 3.12Å; E402-R404 PolarHBondContact O-N 3.44Å; E402-L405 WeakPolarHBondContact O-CB 3.2Å; E402-L405 PolarHBondContact O-N 3.19Å; E402-S406 PolarHBondContact O-N 2.82Å |
| 403 | E | 91.1 | Very high | 89.5 | Confident | 41 Ų | 41 | 57.9 Ų | 57.9 | 19% | 0.192 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.4 | -33.5 | 169.8 | -70.5 | -173.4 | 170.8 | 0 | 0 | 112.3 | E399 S406 F407 P414 R415 | E399-E403 WeakPolarHBondContact O-CG 3.27Å; E399-E403 PolarHBondContact O-N 3.3Å; E403-S406 WeakPolarHBondContact CA-OG 3.1Å; E403-S406 PolarHBondContact O-OG 3.33Å; E403-F407 WeakPolarHBondContact O-CB 3.29Å; E403-F407 PolarHBondContact O-N 2.87Å; E403-P414 HydrophobicContact CB-CB 3.88Å; E403-R415 VanDerWaalsContact OE1-CD 3.31Å; E403-R415 WeakPolarHBondContact OE1-CD 3.35Å; E403-R415 WeakPolarHBondContact OE1-CG 3.29Å; E403-R415 IonicContact OE1-CZ 3.26Å; E403-R415 IonicContact OE1-NE 3.71Å; E403-R415 PolarHBondContact OE1-NE 2.99Å; E403-R415 PolarHBondContact OE2-N 2.74Å |
| 404 | R | 88.8 | Confident | 89.2 | Confident | 63 Ų | 63 | 57.7 Ų | 57.7 | 24% | 0.238 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -78.6 | -24.5 | 178.2 | -167.9 | 54.4 | 171.6 | -174.2 | -1.2 | 112.7 | Y371 Q400 V401 E402 F407 Y408 | Y371-R404 HydrophobicContact CD1-CB 4.01Å; Y371-R404 HydrophobicContact CD1-CG 3.84Å; Y371-R404 HydrophobicContact CD2-CG 4.41Å; Y371-R404 HydrophobicContact CE1-CB 3.6Å; Y371-R404 HydrophobicContact CE1-CG 3.8Å; Y371-R404 HydrophobicContact CE2-CG 4.38Å; Y371-R404 HydrophobicContact CG-CG 4.13Å; Q400-R404 VanDerWaalsContact O-CB 3.31Å; Q400-R404 WeakPolarHBondContact O-CB 3.48Å; Q400-R404 PolarHBondContact O-N 3.21Å; V401-R404 PolarHBondContact O-N 2.95Å; E402-R404 PolarHBondContact O-N 3.44Å; R404-F407 VanDerWaalsContact NH1-CE1 3.3Å; R404-Y408 HydrophobicContact CG-CE2 4.16Å; R404-Y408 WeakPolarHBondContact O-CD2 3.21Å |
| 405 | L | 88.5 | Confident | 88.9 | Confident | 15 Ų | 15 | 64.4 Ų | 64.4 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -73.7 | -48.5 | 171.2 | -176.8 | 65.5 | 0 | 0 | 0 | 109.7 | R359 A360 I368 V401 E402 F407 Y408 | R359-L405 HydrophobicContact CB-CD2 4.07Å; A360-L405 HydrophobicContact CB-CD1 4.05Å; I368-L405 HydrophobicContact CD1-CD1 3.78Å; V401-L405 PolarHBondContact O-N 2.85Å; E402-L405 WeakPolarHBondContact O-CB 3.2Å; E402-L405 PolarHBondContact O-N 3.19Å; L405-F407 VanDerWaalsContact C-N 3.34Å; L405-F407 PolarHBondContact O-N 3.4Å; L405-Y408 PolarHBondContact O-N 3.22Å |
| 406 | S | 88.3 | Confident | 88.5 | Confident | 34 Ų | 34 | 67.4 Ų | 67.4 | 24% | 0.238 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.5 | -39.9 | 176.5 | 66.1 | 0 | 0 | 0 | 0 | 112 | E402 E403 Y408 E409 T410 | E402-S406 PolarHBondContact O-N 2.82Å; E403-S406 WeakPolarHBondContact CA-OG 3.1Å; E403-S406 PolarHBondContact O-OG 3.33Å; S406-Y408 PolarHBondContact O-N 3.47Å; S406-E409 CarbonylContact O-C 3.55Å; S406-E409 WeakPolarHBondContact O-CA 3.12Å; S406-E409 PolarHBondContact O-N 3.12Å; S406-T410 PolarHBondContact O-N 3.13Å; S406-T410 PolarHBondContact O-OG1 3.41Å; S406-T410 VanDerWaalsContact O-OG1 3.04Å |
| 407 | F | 90.7 | Very high | 88 | Confident | 62 Ų | 62 | 69.6 Ų | 69.6 | 27% | 0.272 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -32.8 | 171.6 | 171.9 | -104.9 | 0 | 0 | 0 | 114 | E403 R404 L405 E409 G411 E412 | E403-F407 WeakPolarHBondContact O-CB 3.29Å; E403-F407 PolarHBondContact O-N 2.87Å; R404-F407 VanDerWaalsContact NH1-CE1 3.3Å; L405-F407 VanDerWaalsContact C-N 3.34Å; L405-F407 PolarHBondContact O-N 3.4Å; F407-E409 VanDerWaalsContact C-N 3.33Å; F407-G411 VanDerWaalsContact O-CA 3.26Å; F407-G411 WeakPolarHBondContact O-CA 3.36Å; F407-G411 PolarHBondContact O-N 2.61Å; F407-E412 WeakPolarHBondContact CB-O 3.26Å; F407-E412 WeakPolarHBondContact CD2-O 3.41Å |
| 408 | Y | 87.3 | Confident | 87.7 | Confident | 57 Ų | 57 | 75.7 Ų | 75.7 | 22% | 0.224 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -6.9 | 177.9 | -72.2 | -56.1 | 0 | 0 | 0 | 114.3 | I368 R404 L405 S406 | I368-Y408 HydrophobicContact CD1-CD2 3.72Å; I368-Y408 HydrophobicContact CD1-CE2 4.17Å; I368-Y408 HydrophobicContact CG1-CD2 3.73Å; I368-Y408 HydrophobicContact CG1-CE2 3.66Å; R404-Y408 HydrophobicContact CG-CE2 4.16Å; R404-Y408 WeakPolarHBondContact O-CD2 3.21Å; L405-Y408 PolarHBondContact O-N 3.22Å; S406-Y408 PolarHBondContact O-N 3.47Å |
| 409 | E | 85.8 | Confident | 87.5 | Confident | 135 Ų | 135 | 74.9 Ų | 74.9 | 63% | 0.631 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | -47.4 | -179.7 | -65.3 | 174.7 | 178.5 | 0 | 0 | 111.5 | S406 F407 | S406-E409 CarbonylContact O-C 3.55Å; S406-E409 WeakPolarHBondContact O-CA 3.12Å; S406-E409 PolarHBondContact O-N 3.12Å; F407-E409 VanDerWaalsContact C-N 3.33Å |
| 410 | T | 86.9 | Confident | 87.1 | Confident | 89 Ų | 89 | 71.6 Ų | 71.6 | 55% | 0.546 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -26.4 | -177.8 | 65.3 | 0 | 0 | 0 | 0 | 114 | S406 E412 | S406-T410 PolarHBondContact O-N 3.13Å; S406-T410 PolarHBondContact O-OG1 3.41Å; S406-T410 VanDerWaalsContact O-OG1 3.04Å; T410-E412 WeakPolarHBondContact OG1-CG 3.3Å; T410-E412 PolarHBondContact OG1-N 2.96Å |
| 411 | G | 85 | Confident | 86.6 | Confident | 45 Ų | 45 | 73.6 Ų | 73.6 | 46% | 0.464 | 37% | 0.367 | S | S | . | . | trans | 88.5 | -0.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | F407 I413 | F407-G411 VanDerWaalsContact O-CA 3.26Å; F407-G411 WeakPolarHBondContact O-CA 3.36Å; F407-G411 PolarHBondContact O-N 2.61Å; G411-I413 PolarHBondContact O-N 2.66Å | ||
| 412 | E | 84.9 | Confident | 86.3 | Confident | 128 Ų | 128 | 79.9 Ų | 79.9 | 60% | 0.598 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -65 | 127.5 | -178.4 | -70.7 | 175 | 157.4 | 0 | 0 | 113 | F407 T410 P414 | F407-E412 WeakPolarHBondContact CB-O 3.26Å; F407-E412 WeakPolarHBondContact CD2-O 3.41Å; T410-E412 WeakPolarHBondContact OG1-CG 3.3Å; T410-E412 PolarHBondContact OG1-N 2.96Å; E412-P414 WeakPolarHBondContact O-CD 3.27Å |
| 413 | I | 85.7 | Confident | 86.1 | Confident | 156 Ų | 156 | 80 Ų | 80 | 80% | 0.8 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 119.2 | -174.3 | -55.5 | 174.9 | 0 | 0 | 0 | 109.7 | G411 | G411-I413 PolarHBondContact O-N 2.66Š|
| 414 | P | 84.6 | Confident | 85.7 | Confident | 27 Ų | 27 | 78 Ų | 78 | 18% | 0.175 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 157.1 | -178.7 | 30.6 | -36.7 | 0 | 0 | 0 | 111.6 | E403 E412 | E403-P414 HydrophobicContact CB-CB 3.88Å; E412-P414 WeakPolarHBondContact O-CD 3.27Å |
| 415 | R | 84.7 | Confident | 85.5 | Confident | 140 Ų | 140 | 80 Ų | 80 | 53% | 0.528 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 151.7 | -178.5 | -62.7 | 178.6 | -157.4 | -146.5 | -3.2 | 111.7 | E403 N417 V420 | E403-R415 VanDerWaalsContact OE1-CD 3.31Å; E403-R415 WeakPolarHBondContact OE1-CD 3.35Å; E403-R415 WeakPolarHBondContact OE1-CG 3.29Å; E403-R415 IonicContact OE1-CZ 3.26Å; E403-R415 IonicContact OE1-NE 3.71Å; E403-R415 PolarHBondContact OE1-NE 2.99Å; E403-R415 PolarHBondContact OE2-N 2.74Å; R415-N417 PolarHBondContact O-N 3.37Å; R415-V420 HydrophobicContact CB-CG2 3.77Å; R415-V420 HydrophobicContact CG-CG2 4.47Å |
| 416 | K | 84.1 | Confident | 85.3 | Confident | 157 Ų | 157 | 83.4 Ų | 83.4 | 68% | 0.683 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 134.9 | 172.8 | -69.2 | 176.4 | -177.3 | 171.5 | 0 | 109.5 | L418 D419 | K416-L418 PolarHBondContact O-N 3.35Å; K416-L418 VanDerWaalsContact O-N 3.08Å; K416-D419 WeakPolarHBondContact CB-OD2 3.49Å; K416-D419 PolarHBondContact O-N 2.87Å |
| 417 | N | 81.3 | Confident | 85.1 | Confident | 76 Ų | 76 | 85.8 Ų | 85.8 | 41% | 0.406 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -55.4 | -31.5 | -179 | -69.3 | -36.3 | 0 | 0 | 0 | 113.6 | K375 R415 M421 | K375-N417 PolarHBondContact NZ-OD1 3.21Å; R415-N417 PolarHBondContact O-N 3.37Å; N417-M421 VanDerWaalsContact O-CB 3.29Å; N417-M421 WeakPolarHBondContact O-CB 3.11Å; N417-M421 WeakPolarHBondContact O-CG 3.45Å; N417-M421 PolarHBondContact O-N 3.33Å; N417-M421 VanDerWaalsContact O-N 3.11Å |
| 418 | L | 85.9 | Confident | 84.6 | Confident | 128 Ų | 128 | 83.2 Ų | 83.2 | 67% | 0.67 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.4 | -39 | -176.6 | -62.7 | 177.5 | 0 | 0 | 0 | 112.6 | K416 M421 K422 | K416-L418 PolarHBondContact O-N 3.35Å; K416-L418 VanDerWaalsContact O-N 3.08Å; L418-M421 PolarHBondContact O-N 3.07Å; L418-K422 WeakPolarHBondContact O-CG 3.03Å; L418-K422 PolarHBondContact O-N 3.25Å; L418-K422 VanDerWaalsContact O-N 3.1Å |
| 419 | D | 86.9 | Confident | 84.2 | Confident | 71 Ų | 71 | 86.7 Ų | 86.7 | 38% | 0.38 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -77.4 | -46.2 | -171.4 | -54.5 | -42.5 | 0 | 0 | 0 | 109.9 | K416 M421 K422 E423 | K416-D419 WeakPolarHBondContact CB-OD2 3.49Å; K416-D419 PolarHBondContact O-N 2.87Å; D419-M421 VanDerWaalsContact C-N 3.26Å; D419-M421 PolarHBondContact O-N 3.43Å; D419-K422 WeakPolarHBondContact O-CB 3.49Å; D419-K422 PolarHBondContact O-N 3.39Å; D419-K422 VanDerWaalsContact O-N 3.09Å; D419-K422 IonicContact OD1-NZ 2.67Å; D419-E423 PolarHBondContact O-N 3.44Å |
| 420 | V | 84 | Confident | 84.1 | Confident | 3 Ų | 3 | 86.6 Ų | 86.6 | 2% | 0.018 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.1 | -33.9 | 171.5 | 178.3 | 0 | 0 | 0 | 0 | 112.3 | K396 Q400 R415 A424 | K396-V420 HydrophobicContact CB-CG1 3.82Å; K396-V420 HydrophobicContact CD-CG1 4.33Å; K396-V420 HydrophobicContact CG-CG1 4.33Å; Q400-V420 HydrophobicContact CG-CG1 4.12Å; Q400-V420 HydrophobicContact CG-CG2 4.45Å; Q400-V420 VanDerWaalsContact NE2-CG1 3.3Å; R415-V420 HydrophobicContact CB-CG2 3.77Å; R415-V420 HydrophobicContact CG-CG2 4.47Å; V420-A424 VanDerWaalsContact O-CB 3.3Å; V420-A424 WeakPolarHBondContact O-CB 3.29Å; V420-A424 PolarHBondContact O-N 3.13Å |
| 421 | M | 82.4 | Confident | 83.7 | Confident | 43 Ų | 43 | 83.7 Ų | 83.7 | 21% | 0.212 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -72.4 | -31.9 | 175.8 | -75.6 | -70 | -180 | 0 | 0 | 112.7 | I378 F393 L397 N417 L418 D419 A424 M425 | I378-M421 HydrophobicContact CG2-CE 4.22Å; F393-M421 HydrophobicContact CD1-SD 4.42Å; L397-M421 HydrophobicContact CD2-CE 3.44Å; L397-M421 VanDerWaalsContact CD2-CE 3.44Å; L397-M421 HydrophobicContact CG-CE 4.03Å; N417-M421 VanDerWaalsContact O-CB 3.29Å; N417-M421 WeakPolarHBondContact O-CB 3.11Å; N417-M421 WeakPolarHBondContact O-CG 3.45Å; N417-M421 PolarHBondContact O-N 3.33Å; N417-M421 VanDerWaalsContact O-N 3.11Å; L418-M421 PolarHBondContact O-N 3.07Å; D419-M421 VanDerWaalsContact C-N 3.26Å; D419-M421 PolarHBondContact O-N 3.43Å; M421-A424 PolarHBondContact O-N 3.32Å; M421-M425 WeakPolarHBondContact O-CG 3.26Å; M421-M425 PolarHBondContact O-N 2.85Å |
| 422 | K | 85 | Confident | 83.4 | Confident | 133 Ų | 133 | 82.8 Ų | 82.8 | 58% | 0.578 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.4 | -45.7 | 171.2 | -70.3 | 166.8 | -177.7 | 171.2 | 0 | 111.1 | L418 D419 A424 M425 V426 | L418-K422 WeakPolarHBondContact O-CG 3.03Å; L418-K422 PolarHBondContact O-N 3.25Å; L418-K422 VanDerWaalsContact O-N 3.1Å; D419-K422 WeakPolarHBondContact O-CB 3.49Å; D419-K422 PolarHBondContact O-N 3.39Å; D419-K422 VanDerWaalsContact O-N 3.09Å; D419-K422 IonicContact OD1-NZ 2.67Å; K422-A424 VanDerWaalsContact C-N 3.3Å; K422-A424 PolarHBondContact O-N 2.96Å; K422-M425 PolarHBondContact O-N 3.34Å; K422-V426 PolarHBondContact O-N 3.13Å |
| 423 | E | 85.4 | Confident | 83.1 | Confident | 77 Ų | 77 | 78.6 Ų | 78.6 | 36% | 0.36 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.1 | -46.5 | 172.9 | -68.3 | 172.7 | -165.6 | 0 | 0 | 111 | D419 M425 V426 Q427 | D419-E423 PolarHBondContact O-N 3.44Å; E423-M425 PolarHBondContact O-N 3Å; E423-V426 PolarHBondContact O-N 3.13Å; E423-Q427 WeakPolarHBondContact O-CG 3.4Å; E423-Q427 PolarHBondContact O-N 3.13Å; E423-Q427 VanDerWaalsContact O-N 3.12Å |
| 424 | A | 83.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.2 | -36.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V392 F393 K396 V420 M421 K422 A428 | V392-A424 HydrophobicContact CG1-CB 4.5Å; F393-A424 HydrophobicContact CD1-CB 3.67Å; F393-A424 HydrophobicContact CE1-CB 3.79Å; K396-A424 HydrophobicContact CB-CB 4.15Å; K396-A424 HydrophobicContact CG-CB 3.94Å; V420-A424 VanDerWaalsContact O-CB 3.3Å; V420-A424 WeakPolarHBondContact O-CB 3.29Å; V420-A424 PolarHBondContact O-N 3.13Å; M421-A424 PolarHBondContact O-N 3.32Å; K422-A424 VanDerWaalsContact C-N 3.3Å; K422-A424 PolarHBondContact O-N 2.96Å; A424-A428 WeakPolarHBondContact O-CB 3.04Å; A424-A428 PolarHBondContact O-N 2.87Å |
| 425 | M | 83.8 | Confident | 82.5 | Confident | 104 Ų | 104 | 77.4 Ų | 77.4 | 51% | 0.512 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 176.6 | -78.1 | -174.9 | 71.1 | 0 | 0 | 112 | F393 M421 K422 E423 Q427 A428 E429 | F393-M425 HydrophobicContact CE1-CG 4.21Å; F393-M425 HydrophobicContact CZ-CG 4.34Å; M421-M425 WeakPolarHBondContact O-CG 3.26Å; M421-M425 PolarHBondContact O-N 2.85Å; K422-M425 PolarHBondContact O-N 3.34Å; E423-M425 PolarHBondContact O-N 3Å; M425-Q427 PolarHBondContact O-N 3.48Å; M425-A428 PolarHBondContact O-N 3.25Å; M425-E429 WeakPolarHBondContact O-CG 3.43Å; M425-E429 PolarHBondContact O-N 2.98Å |
| 426 | V | 84.8 | Confident | 82.1 | Confident | 86 Ų | 86 | 73.4 Ų | 73.4 | 52% | 0.521 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.2 | -49.7 | 177.5 | 177 | 0 | 0 | 0 | 0 | 110.6 | K422 E423 A428 E429 E430 | K422-V426 PolarHBondContact O-N 3.13Å; E423-V426 PolarHBondContact O-N 3.13Å; V426-A428 VanDerWaalsContact C-N 3.32Å; V426-A428 PolarHBondContact O-N 3.22Å; V426-E429 PolarHBondContact O-N 3.49Å; V426-E430 WeakPolarHBondContact O-CG 3.33Å; V426-E430 PolarHBondContact O-N 3.49Å; V426-E430 VanDerWaalsContact O-N 3.13Å |
| 427 | Q | 83.8 | Confident | 81.9 | Confident | 84 Ų | 84 | 73.8 Ų | 73.8 | 39% | 0.393 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.9 | -33.9 | 178.1 | -70 | 177.1 | -6.3 | 0 | 0 | 112.7 | V392 E423 M425 A431 | V392-Q427 HydrophobicContact CG1-CB 3.58Å; E423-Q427 WeakPolarHBondContact O-CG 3.4Å; E423-Q427 PolarHBondContact O-N 3.13Å; E423-Q427 VanDerWaalsContact O-N 3.12Å; M425-Q427 PolarHBondContact O-N 3.48Å; Q427-A431 VanDerWaalsContact O-CB 3.26Å; Q427-A431 WeakPolarHBondContact O-CB 3.19Å; Q427-A431 PolarHBondContact O-N 3.45Å |
| 428 | A | 80.3 | Confident | 81.9 | Confident | 8 Ų | 8 | 74.8 Ų | 74.8 | 7% | 0.066 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -73.9 | -34 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F393 A424 M425 V426 A432 | F393-A428 HydrophobicContact CD2-CB 4.11Å; F393-A428 HydrophobicContact CE1-CB 4.31Å; F393-A428 HydrophobicContact CE2-CB 3.33Å; F393-A428 HydrophobicContact CZ-CB 3.45Å; F393-A428 VanDerWaalsContact CZ-CB 3.45Å; A424-A428 WeakPolarHBondContact O-CB 3.04Å; A424-A428 PolarHBondContact O-N 2.87Å; M425-A428 PolarHBondContact O-N 3.25Å; V426-A428 VanDerWaalsContact C-N 3.32Å; V426-A428 PolarHBondContact O-N 3.22Å; A428-A432 WeakPolarHBondContact O-CB 3.49Å; A428-A432 PolarHBondContact O-N 3.26Å |
| 429 | E | 80.4 | Confident | 81.4 | Confident | 130 Ų | 130 | 73 Ų | 73 | 61% | 0.607 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -66.1 | -44 | 172.9 | -76.4 | 176.8 | -167.2 | 0 | 0 | 111.1 | M425 V426 A432 A433 | M425-E429 WeakPolarHBondContact O-CG 3.43Å; M425-E429 PolarHBondContact O-N 2.98Å; V426-E429 PolarHBondContact O-N 3.49Å; E429-A432 PolarHBondContact O-N 3.5Å; E429-A433 VanDerWaalsContact O-CB 3.23Å; E429-A433 WeakPolarHBondContact O-CB 3.45Å; E429-A433 PolarHBondContact O-N 3.12Å |
| 430 | E | 82.2 | Confident | 81.1 | Confident | 134 Ų | 134 | 73.9 Ų | 73.9 | 63% | 0.626 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.3 | -48.6 | 173.1 | -70.2 | 179.2 | 169.7 | 0 | 0 | 111.8 | V426 A433 E434 | V426-E430 WeakPolarHBondContact O-CG 3.33Å; V426-E430 PolarHBondContact O-N 3.49Å; V426-E430 VanDerWaalsContact O-N 3.13Å; E430-A433 PolarHBondContact O-N 3.41Å; E430-E434 PolarHBondContact O-N 3.06Å |
| 431 | A | 79.8 | Confident | 80.9 | Confident | 27 Ų | 27 | 80.4 Ų | 80.4 | 22% | 0.223 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T390 V392 Q427 E434 I435 | T390-A431 HydrophobicContact CG2-CB 4.28Å; V392-A431 HydrophobicContact CG2-CB 4.13Å; Q427-A431 VanDerWaalsContact O-CB 3.26Å; Q427-A431 WeakPolarHBondContact O-CB 3.19Å; Q427-A431 PolarHBondContact O-N 3.45Å; A431-E434 PolarHBondContact O-N 3.11Å; A431-I435 WeakPolarHBondContact O-CD1 3.47Å; A431-I435 VanDerWaalsContact O-CG1 3.23Å; A431-I435 WeakPolarHBondContact O-CG1 3.3Å; A431-I435 PolarHBondContact O-N 3.48Å |
| 432 | A | 77.8 | Confident | 80.7 | Confident | 27 Ų | 27 | 84.2 Ų | 84.2 | 22% | 0.223 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T390 A428 E429 E434 I435 T436 | T390-A432 HydrophobicContact CG2-CB 4.42Å; A428-A432 WeakPolarHBondContact O-CB 3.49Å; A428-A432 PolarHBondContact O-N 3.26Å; E429-A432 PolarHBondContact O-N 3.5Å; A432-E434 VanDerWaalsContact C-N 3.3Å; A432-E434 PolarHBondContact O-N 3.44Å; A432-I435 PolarHBondContact O-N 3.21Å; A432-T436 WeakPolarHBondContact O-CG2 3.44Å; A432-T436 PolarHBondContact O-N 3.08Å; A432-T436 PolarHBondContact O-OG1 3.18Å; A432-T436 VanDerWaalsContact O-OG1 3.14Å |
| 433 | A | 78.9 | Confident | 80.3 | Confident | 39 Ų | 39 | 83.6 Ų | 83.6 | 32% | 0.322 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63 | -34.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E429 E430 T436 R437 | E429-A433 VanDerWaalsContact O-CB 3.23Å; E429-A433 WeakPolarHBondContact O-CB 3.45Å; E429-A433 PolarHBondContact O-N 3.12Å; E430-A433 PolarHBondContact O-N 3.41Å; A433-T436 WeakPolarHBondContact CA-OG1 3.46Å; A433-T436 PolarHBondContact O-OG1 3.11Å; A433-T436 VanDerWaalsContact O-OG1 3.12Å; A433-R437 VanDerWaalsContact O-CB 3.27Å; A433-R437 WeakPolarHBondContact O-CB 3.48Å; A433-R437 VanDerWaalsContact O-CD 3.28Å; A433-R437 WeakPolarHBondContact O-CD 3.38Å; A433-R437 WeakPolarHBondContact O-CG 3.41Å; A433-R437 PolarHBondContact O-N 2.79Å; A433-R437 VanDerWaalsContact O-N 3.11Å |
| 434 | E | 80.4 | Confident | 79.9 | Confident | 103 Ų | 103 | 86.1 Ų | 86.1 | 48% | 0.481 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -70.6 | -39.8 | 173.6 | -149.1 | -149.1 | 168.7 | 0 | 0 | 112 | E430 A431 A432 K438 | E430-E434 PolarHBondContact O-N 3.06Å; A431-E434 PolarHBondContact O-N 3.11Å; A432-E434 VanDerWaalsContact C-N 3.3Å; A432-E434 PolarHBondContact O-N 3.44Å; E434-K438 WeakPolarHBondContact O-CB 3.39Å; E434-K438 VanDerWaalsContact O-CG 3.25Å; E434-K438 WeakPolarHBondContact O-CG 3.31Å; E434-K438 PolarHBondContact O-N 3.12Å; E434-K438 WeakPolarHBondContact OE1-CE 3.29Å; E434-K438 IonicContact OE1-NZ 3.35Å; E434-K438 PolarHBondContact OE1-NZ 2.91Å; E434-K438 IonicContact OE2-NZ 3.11Å; E434-K438 PolarHBondContact OE2-NZ 3.27Å |
| 435 | I | 76.8 | Confident | 79.7 | Confident | 56 Ų | 56 | 93.6 Ų | 93.6 | 29% | 0.287 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.1 | -46.7 | 177 | -68.4 | 160.7 | 0 | 0 | 0 | 111 | V388 T390 A431 A432 R437 K438 L439 | V388-I435 HydrophobicContact CG1-CB 4.08Å; V388-I435 HydrophobicContact CG1-CD1 4.16Å; V388-I435 HydrophobicContact CG1-CG2 3.59Å; T390-I435 HydrophobicContact CG2-CD1 3.97Å; A431-I435 WeakPolarHBondContact O-CD1 3.47Å; A431-I435 VanDerWaalsContact O-CG1 3.23Å; A431-I435 WeakPolarHBondContact O-CG1 3.3Å; A431-I435 PolarHBondContact O-N 3.48Å; A432-I435 PolarHBondContact O-N 3.21Å; I435-R437 PolarHBondContact O-N 3.47Å; I435-K438 WeakPolarHBondContact O-CB 3.43Å; I435-K438 PolarHBondContact O-N 3.1Å; I435-K438 VanDerWaalsContact O-N 3.11Å; I435-L439 HydrophobicContact CG2-CD1 3.97Å; I435-L439 HydrophobicContact CG2-CG 4.34Å; I435-L439 WeakPolarHBondContact O-CG 3.37Å; I435-L439 PolarHBondContact O-N 3.22Å |
| 436 | T | 77.3 | Confident | 79.4 | Confident | 56 Ų | 56 | 97.9 Ų | 97.9 | 34% | 0.344 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 176.4 | 54.6 | 0 | 0 | 0 | 0 | 111 | V388 A432 A433 K438 L439 E440 | V388-T436 HydrophobicContact CG2-CG2 4.29Å; A432-T436 WeakPolarHBondContact O-CG2 3.44Å; A432-T436 PolarHBondContact O-N 3.08Å; A432-T436 PolarHBondContact O-OG1 3.18Å; A432-T436 VanDerWaalsContact O-OG1 3.14Å; A433-T436 WeakPolarHBondContact CA-OG1 3.46Å; A433-T436 PolarHBondContact O-OG1 3.11Å; A433-T436 VanDerWaalsContact O-OG1 3.12Å; T436-K438 VanDerWaalsContact C-N 3.29Å; T436-K438 PolarHBondContact O-N 3.36Å; T436-L439 PolarHBondContact O-N 2.82Å; T436-E440 PolarHBondContact O-N 3.04Å |
| 437 | R | 80 | Confident | 79 | Confident | 164 Ų | 164 | 97.9 Ų | 97.9 | 62% | 0.619 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -59.1 | -36.5 | 172.1 | -74.2 | 169.6 | 177.6 | -175.7 | 0.7 | 112.9 | A433 I435 K441 | A433-R437 VanDerWaalsContact O-CB 3.27Å; A433-R437 WeakPolarHBondContact O-CB 3.48Å; A433-R437 VanDerWaalsContact O-CD 3.28Å; A433-R437 WeakPolarHBondContact O-CD 3.38Å; A433-R437 WeakPolarHBondContact O-CG 3.41Å; A433-R437 PolarHBondContact O-N 2.79Å; A433-R437 VanDerWaalsContact O-N 3.11Å; I435-R437 PolarHBondContact O-N 3.47Å; R437-K441 VanDerWaalsContact O-CB 3.31Å; R437-K441 WeakPolarHBondContact O-CB 3.49Å; R437-K441 WeakPolarHBondContact O-CD 3.14Å; R437-K441 WeakPolarHBondContact O-CG 2.89Å; R437-K441 PolarHBondContact O-N 3.29Å; R437-K441 VanDerWaalsContact O-N 3.12Å |
| 438 | K | 80.5 | Confident | 78.7 | Confident | 97 Ų | 97 | 100.9 Ų | 100.9 | 42% | 0.422 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.5 | -44.4 | 174.6 | -78.5 | 165.8 | 179.1 | 166.3 | 0 | 111.2 | E434 I435 T436 K441 Q442 | E434-K438 WeakPolarHBondContact O-CB 3.39Å; E434-K438 VanDerWaalsContact O-CG 3.25Å; E434-K438 WeakPolarHBondContact O-CG 3.31Å; E434-K438 PolarHBondContact O-N 3.12Å; E434-K438 WeakPolarHBondContact OE1-CE 3.29Å; E434-K438 IonicContact OE1-NZ 3.35Å; E434-K438 PolarHBondContact OE1-NZ 2.91Å; E434-K438 IonicContact OE2-NZ 3.11Å; E434-K438 PolarHBondContact OE2-NZ 3.27Å; I435-K438 WeakPolarHBondContact O-CB 3.43Å; I435-K438 PolarHBondContact O-N 3.1Å; I435-K438 VanDerWaalsContact O-N 3.11Å; T436-K438 VanDerWaalsContact C-N 3.29Å; T436-K438 PolarHBondContact O-N 3.36Å; K438-K441 PolarHBondContact O-N 2.93Å; K438-Q442 WeakPolarHBondContact O-CG 3.46Å; K438-Q442 PolarHBondContact O-N 3.23Å |
| 439 | L | 76.4 | Confident | 78.6 | Confident | 91 Ų | 91 | 107.2 Ų | 107.2 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -50 | 177.2 | -70.1 | 171.8 | 0 | 0 | 0 | 111.6 | I435 T436 K441 Q442 E443 | I435-L439 HydrophobicContact CG2-CD1 3.97Å; I435-L439 HydrophobicContact CG2-CG 4.34Å; I435-L439 WeakPolarHBondContact O-CG 3.37Å; I435-L439 PolarHBondContact O-N 3.22Å; T436-L439 PolarHBondContact O-N 2.82Å; L439-K441 VanDerWaalsContact C-N 3.31Å; L439-K441 PolarHBondContact O-N 2.91Å; L439-Q442 CarbonylContact O-C 3.46Å; L439-Q442 WeakPolarHBondContact O-CA 3.38Å; L439-Q442 WeakPolarHBondContact O-CB 3.47Å; L439-Q442 PolarHBondContact O-N 3.44Å; L439-E443 WeakPolarHBondContact O-CB 3.48Å; L439-E443 PolarHBondContact O-N 3.3Å |
| 440 | E | 79 | Confident | 78.3 | Confident | 90 Ų | 90 | 106.3 Ų | 106.3 | 42% | 0.421 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.7 | -43 | 174.4 | -77.9 | -172.5 | -148.4 | 0 | 0 | 112.4 | T436 Q442 E443 K444 | T436-E440 PolarHBondContact O-N 3.04Å; E440-Q442 VanDerWaalsContact C-N 3.3Å; E440-Q442 PolarHBondContact O-N 2.81Å; E440-E443 PolarHBondContact O-N 2.74Å; E440-K444 VanDerWaalsContact O-CB 3.27Å; E440-K444 WeakPolarHBondContact O-CB 3.15Å; E440-K444 WeakPolarHBondContact O-CD 3.49Å; E440-K444 VanDerWaalsContact O-CG 3.24Å; E440-K444 WeakPolarHBondContact O-CG 3.44Å; E440-K444 PolarHBondContact O-N 3.49Å; E440-K444 IonicContact OE2-NZ 2.91Å; E440-K444 PolarHBondContact OE2-NZ 3.18Å |
| 441 | K | 80.4 | Confident | 78.1 | Confident | 140 Ų | 140 | 107.6 Ų | 107.6 | 61% | 0.609 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.4 | -35.3 | 176.9 | -78.3 | 171.5 | -176.8 | 176.9 | 0 | 111.6 | R437 K438 L439 K445 | R437-K441 VanDerWaalsContact O-CB 3.31Å; R437-K441 WeakPolarHBondContact O-CB 3.49Å; R437-K441 WeakPolarHBondContact O-CD 3.14Å; R437-K441 WeakPolarHBondContact O-CG 2.89Å; R437-K441 PolarHBondContact O-N 3.29Å; R437-K441 VanDerWaalsContact O-N 3.12Å; K438-K441 PolarHBondContact O-N 2.93Å; L439-K441 VanDerWaalsContact C-N 3.31Å; L439-K441 PolarHBondContact O-N 2.91Å; K441-K445 WeakPolarHBondContact O-CB 3.44Å; K441-K445 WeakPolarHBondContact O-CG 3.47Å; K441-K445 PolarHBondContact O-N 3.21Å |
| 442 | Q | 78.4 | Confident | 78 | Confident | 122 Ų | 122 | 113.4 Ų | 113.4 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.7 | -43.6 | 174.3 | -72.6 | 179.5 | 16.5 | 0 | 0 | 111.4 | K438 L439 E440 K445 R446 | K438-Q442 WeakPolarHBondContact O-CG 3.46Å; K438-Q442 PolarHBondContact O-N 3.23Å; L439-Q442 CarbonylContact O-C 3.46Å; L439-Q442 WeakPolarHBondContact O-CA 3.38Å; L439-Q442 WeakPolarHBondContact O-CB 3.47Å; L439-Q442 PolarHBondContact O-N 3.44Å; E440-Q442 VanDerWaalsContact C-N 3.3Å; E440-Q442 PolarHBondContact O-N 2.81Å; Q442-K445 CarbonylContact O-C 3.54Å; Q442-K445 WeakPolarHBondContact O-CB 3.29Å; Q442-K445 PolarHBondContact O-N 2.93Å; Q442-R446 WeakPolarHBondContact O-CG 3.34Å; Q442-R446 PolarHBondContact O-N 2.75Å |
| 443 | E | 75.9 | Confident | 77.9 | Confident | 121 Ų | 121 | 120.3 Ų | 120.3 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.7 | -49 | 178 | -173.1 | 169.1 | -150 | 0 | 0 | 111.8 | L439 E440 K445 R446 L447 | L439-E443 WeakPolarHBondContact O-CB 3.48Å; L439-E443 PolarHBondContact O-N 3.3Å; E440-E443 PolarHBondContact O-N 2.74Å; E443-K445 PolarHBondContact O-N 2.66Å; E443-R446 WeakPolarHBondContact O-CA 3.48Å; E443-R446 PolarHBondContact O-N 2.71Å; E443-L447 HydrophobicContact CG-CD1 4.13Å; E443-L447 HydrophobicContact CG-CG 4.49Å; E443-L447 WeakPolarHBondContact O-CG 3.48Å; E443-L447 PolarHBondContact O-N 2.89Å |
| 444 | K | 77.7 | Confident | 77.7 | Confident | 129 Ų | 129 | 123.8 Ų | 123.8 | 56% | 0.561 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -55.9 | -36.1 | 172.1 | -71.8 | 163.8 | -179.4 | 163.1 | 0 | 111.8 | E440 K448 | E440-K444 VanDerWaalsContact O-CB 3.27Å; E440-K444 WeakPolarHBondContact O-CB 3.15Å; E440-K444 WeakPolarHBondContact O-CD 3.49Å; E440-K444 VanDerWaalsContact O-CG 3.24Å; E440-K444 WeakPolarHBondContact O-CG 3.44Å; E440-K444 PolarHBondContact O-N 3.49Å; E440-K444 IonicContact OE2-NZ 2.91Å; E440-K444 PolarHBondContact OE2-NZ 3.18Å; K444-K448 VanDerWaalsContact O-CB 3.28Å; K444-K448 WeakPolarHBondContact O-CB 3.41Å; K444-K448 PolarHBondContact O-N 2.91Å; K444-K448 VanDerWaalsContact O-N 3.08Å |
| 445 | K | 79.7 | Confident | 77.5 | Confident | 157 Ų | 157 | 121.4 Ų | 121.4 | 68% | 0.683 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.4 | -39.1 | 172.5 | -78.4 | 174.4 | -179.7 | -176.2 | 0 | 113 | K441 Q442 E443 K449 | K441-K445 WeakPolarHBondContact O-CB 3.44Å; K441-K445 WeakPolarHBondContact O-CG 3.47Å; K441-K445 PolarHBondContact O-N 3.21Å; Q442-K445 CarbonylContact O-C 3.54Å; Q442-K445 WeakPolarHBondContact O-CB 3.29Å; Q442-K445 PolarHBondContact O-N 2.93Å; E443-K445 PolarHBondContact O-N 2.66Å; K445-K449 WeakPolarHBondContact O-CB 3.33Å; K445-K449 PolarHBondContact O-N 2.88Å |
| 446 | R | 76.1 | Confident | 77.5 | Confident | 195 Ų | 195 | 121.5 Ų | 121.5 | 74% | 0.736 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.3 | -52.1 | 176 | -71.6 | -178.2 | 77.8 | -175.2 | 3.4 | 110.8 | Q442 E443 K448 K449 E450 | Q442-R446 WeakPolarHBondContact O-CG 3.34Å; Q442-R446 PolarHBondContact O-N 2.75Å; E443-R446 WeakPolarHBondContact O-CA 3.48Å; E443-R446 PolarHBondContact O-N 2.71Å; R446-K448 VanDerWaalsContact C-N 3.29Å; R446-K448 PolarHBondContact O-N 3.25Å; R446-K449 CarbonylContact O-C 3.54Å; R446-K449 WeakPolarHBondContact O-CA 3.35Å; R446-K449 WeakPolarHBondContact O-CB 3.48Å; R446-K449 PolarHBondContact O-N 3.29Å; R446-E450 WeakPolarHBondContact O-CB 3.47Å; R446-E450 PolarHBondContact O-N 3.25Å |
| 447 | L | 76.8 | Confident | 77.3 | Confident | 86 Ų | 86 | 124.4 Ų | 124.4 | 45% | 0.45 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -55.5 | -41.6 | 175.3 | -68 | 170 | 0 | 0 | 0 | 111.9 | E443 K449 E450 K451 | E443-L447 HydrophobicContact CG-CD1 4.13Å; E443-L447 HydrophobicContact CG-CG 4.49Å; E443-L447 WeakPolarHBondContact O-CG 3.48Å; E443-L447 PolarHBondContact O-N 2.89Å; L447-K449 PolarHBondContact O-N 3.02Å; L447-E450 PolarHBondContact O-N 3.44Å; L447-K451 WeakPolarHBondContact O-CB 3.38Å; L447-K451 WeakPolarHBondContact O-CG 3.03Å; L447-K451 PolarHBondContact O-N 3.1Å |
| 448 | K | 77.4 | Confident | 76.9 | Confident | 146 Ų | 146 | 119.5 Ų | 119.5 | 64% | 0.635 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.8 | -34.1 | 174.9 | -170.5 | 169.5 | -174.4 | 170.5 | 0 | 113 | K444 R446 K452 | K444-K448 VanDerWaalsContact O-CB 3.28Å; K444-K448 WeakPolarHBondContact O-CB 3.41Å; K444-K448 PolarHBondContact O-N 2.91Å; K444-K448 VanDerWaalsContact O-N 3.08Å; R446-K448 VanDerWaalsContact C-N 3.29Å; R446-K448 PolarHBondContact O-N 3.25Å; K448-K452 WeakPolarHBondContact O-CB 3.22Å; K448-K452 WeakPolarHBondContact O-CG 3.32Å; K448-K452 PolarHBondContact O-N 3.02Å |
| 449 | K | 78.6 | Confident | 76.5 | Confident | 141 Ų | 141 | 119.8 Ų | 119.8 | 61% | 0.613 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -73.7 | -34 | 175.7 | -169.8 | 175.4 | -177.7 | 178.2 | 0 | 111.9 | K445 R446 L447 R453 | K445-K449 WeakPolarHBondContact O-CB 3.33Å; K445-K449 PolarHBondContact O-N 2.88Å; R446-K449 CarbonylContact O-C 3.54Å; R446-K449 WeakPolarHBondContact O-CA 3.35Å; R446-K449 WeakPolarHBondContact O-CB 3.48Å; R446-K449 PolarHBondContact O-N 3.29Å; L447-K449 PolarHBondContact O-N 3.02Å; K449-R453 PolarHBondContact O-N 3.13Å |
| 450 | E | 74 | Confident | 75.9 | Confident | 112 Ų | 112 | 118.2 Ų | 118.2 | 52% | 0.523 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -73.4 | -48.4 | 177.5 | -173 | 157.2 | -142.8 | 0 | 0 | 112 | R446 L447 K452 R453 L454 | R446-E450 WeakPolarHBondContact O-CB 3.47Å; R446-E450 PolarHBondContact O-N 3.25Å; L447-E450 PolarHBondContact O-N 3.44Å; E450-K452 PolarHBondContact O-N 3.18Å; E450-R453 WeakPolarHBondContact O-CA 3.42Å; E450-R453 WeakPolarHBondContact O-CB 3.41Å; E450-R453 PolarHBondContact O-N 3.19Å; E450-L454 HydrophobicContact CG-CD1 4.43Å; E450-L454 PolarHBondContact O-N 3.05Å |
| 451 | K | 77.6 | Confident | 74.7 | Confident | 160 Ų | 160 | 118 Ų | 118 | 70% | 0.696 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -55.1 | -39.6 | 169.9 | -73 | -171.1 | 177.1 | -167.3 | 0 | 112.2 | L447 A455 | L447-K451 WeakPolarHBondContact O-CB 3.38Å; L447-K451 WeakPolarHBondContact O-CG 3.03Å; L447-K451 PolarHBondContact O-N 3.1Å; K451-A455 WeakPolarHBondContact O-CB 3.03Å; K451-A455 PolarHBondContact O-N 3.32Å |
| 452 | K | 79.2 | Confident | 73.4 | Confident | 150 Ų | 150 | 114.2 Ų | 114.2 | 65% | 0.652 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.2 | -35.4 | 172.8 | -81.8 | -171.1 | 172.3 | -155.5 | 0 | 113.7 | K448 E450 A456 | K448-K452 WeakPolarHBondContact O-CB 3.22Å; K448-K452 WeakPolarHBondContact O-CG 3.32Å; K448-K452 PolarHBondContact O-N 3.02Å; E450-K452 PolarHBondContact O-N 3.18Å; K452-A456 WeakPolarHBondContact O-CB 3.38Å; K452-A456 PolarHBondContact O-N 2.84Å; K452-A456 VanDerWaalsContact O-N 3.07Å |
| 453 | R | 74.2 | Confident | 71.7 | Confident | 172 Ų | 172 | 115.4 Ų | 115.4 | 65% | 0.649 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.5 | -44 | 175.6 | -84.1 | -178.9 | 161.6 | -170.1 | -7.7 | 111.9 | K449 E450 A456 L457 | K449-R453 PolarHBondContact O-N 3.13Å; E450-R453 WeakPolarHBondContact O-CA 3.42Å; E450-R453 WeakPolarHBondContact O-CB 3.41Å; E450-R453 PolarHBondContact O-N 3.19Å; R453-A456 PolarHBondContact O-N 2.91Å; R453-L457 WeakPolarHBondContact O-CB 3.43Å; R453-L457 PolarHBondContact O-N 2.9Å |
| 454 | L | 74.4 | Confident | 70 | Confident | 112 Ų | 112 | 117 Ų | 117 | 59% | 0.586 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.9 | -44.8 | 175.8 | -71.9 | 166.8 | 0 | 0 | 0 | 111.2 | E450 A456 L457 A458 | E450-L454 HydrophobicContact CG-CD1 4.43Å; E450-L454 PolarHBondContact O-N 3.05Å; L454-A456 PolarHBondContact O-N 3.19Å; L454-L457 PolarHBondContact O-N 3.29Å; L454-A458 WeakPolarHBondContact O-CB 3.36Å; L454-A458 PolarHBondContact O-N 2.97Å |
| 455 | A | 77 | Confident | 68.1 | Low | 52 Ų | 52 | 115.6 Ų | 115.6 | 43% | 0.43 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.7 | -40.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K451 A458 L459 | K451-A455 WeakPolarHBondContact O-CB 3.03Å; K451-A455 PolarHBondContact O-N 3.32Å; A455-A458 PolarHBondContact O-N 2.99Å; A455-L459 WeakPolarHBondContact O-CG 3.47Å; A455-L459 PolarHBondContact O-N 3.17Å |
| 456 | A | 77.7 | Confident | 65.7 | Low | 58 Ų | 58 | 112.7 Ų | 112.7 | 48% | 0.479 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.5 | -35.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | K452 R453 L454 A460 | K452-A456 WeakPolarHBondContact O-CB 3.38Å; K452-A456 PolarHBondContact O-N 2.84Å; K452-A456 VanDerWaalsContact O-N 3.07Å; R453-A456 PolarHBondContact O-N 2.91Å; L454-A456 PolarHBondContact O-N 3.19Å; A456-A460 VanDerWaalsContact O-CB 3.31Å; A456-A460 WeakPolarHBondContact O-CB 3.39Å; A456-A460 PolarHBondContact O-N 2.92Å |
| 457 | L | 72.4 | Confident | 63.5 | Low | 118 Ų | 118 | 109.1 Ų | 109.1 | 62% | 0.618 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.1 | -37.6 | 173.2 | -87.5 | 157.3 | 0 | 0 | 0 | 112.3 | R453 L454 S461 | R453-L457 WeakPolarHBondContact O-CB 3.43Å; R453-L457 PolarHBondContact O-N 2.9Å; L454-L457 PolarHBondContact O-N 3.29Å; L457-S461 WeakPolarHBondContact O-CB 3.31Å; L457-S461 PolarHBondContact O-N 2.98Å; L457-S461 VanDerWaalsContact O-N 3.1Å; L457-S461 PolarHBondContact O-OG 2.7Å |
| 458 | A | 72 | Confident | 61.4 | Low | 60 Ų | 60 | 111.4 Ų | 111.4 | 50% | 0.496 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.3 | -48.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L454 A455 A460 S461 S462 | L454-A458 WeakPolarHBondContact O-CB 3.36Å; L454-A458 PolarHBondContact O-N 2.97Å; A455-A458 PolarHBondContact O-N 2.99Å; A458-A460 PolarHBondContact O-N 3.04Å; A458-S461 WeakPolarHBondContact O-CB 3.27Å; A458-S461 PolarHBondContact O-N 3.04Å; A458-S461 VanDerWaalsContact O-N 3.09Å; A458-S462 PolarHBondContact O-N 3.24Å; A458-S462 VanDerWaalsContact O-N 3.1Å; A458-S462 PolarHBondContact O-OG 3.4Å |
| 459 | L | 70.7 | Confident | 59.2 | Low | 103 Ų | 103 | 110.5 Ų | 110.5 | 54% | 0.539 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -60.2 | -46 | 177.1 | -75.8 | 162.5 | 0 | 0 | 0 | 112.4 | A455 S461 S462 E463 | A455-L459 WeakPolarHBondContact O-CG 3.47Å; A455-L459 PolarHBondContact O-N 3.17Å; L459-S461 PolarHBondContact O-N 2.92Å; L459-S462 WeakPolarHBondContact CA-OG 3.18Å; L459-S462 PolarHBondContact O-N 3.32Å; L459-S462 VanDerWaalsContact O-N 3.12Å; L459-S462 PolarHBondContact O-OG 3.01Å; L459-E463 WeakPolarHBondContact O-CG 3.4Å; L459-E463 PolarHBondContact O-N 3.03Å |
| 460 | A | 65 | Low | 57.1 | Low | 59 Ų | 59 | 113.2 Ų | 113.2 | 49% | 0.488 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -65.3 | -22.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A456 A458 | A456-A460 VanDerWaalsContact O-CB 3.31Å; A456-A460 WeakPolarHBondContact O-CB 3.39Å; A456-A460 PolarHBondContact O-N 2.92Å; A458-A460 PolarHBondContact O-N 3.04Å |
| 461 | S | 53.7 | Low | 54.9 | Low | 84 Ų | 84 | 116.9 Ų | 116.9 | 59% | 0.587 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -78.4 | -34.7 | 173 | -56.4 | 0 | 0 | 0 | 0 | 112.2 | L457 A458 L459 | L457-S461 WeakPolarHBondContact O-CB 3.31Å; L457-S461 PolarHBondContact O-N 2.98Å; L457-S461 VanDerWaalsContact O-N 3.1Å; L457-S461 PolarHBondContact O-OG 2.7Å; A458-S461 WeakPolarHBondContact O-CB 3.27Å; A458-S461 PolarHBondContact O-N 3.04Å; A458-S461 VanDerWaalsContact O-N 3.09Å; L459-S461 PolarHBondContact O-N 2.92Å |
| 462 | S | 51.8 | Low | 52.4 | Low | 62 Ų | 62 | 114.9 Ų | 114.9 | 43% | 0.434 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -80.3 | -33.4 | 179.5 | 50.2 | 0 | 0 | 0 | 0 | 114.3 | A458 L459 N464 S465 | A458-S462 PolarHBondContact O-N 3.24Å; A458-S462 VanDerWaalsContact O-N 3.1Å; A458-S462 PolarHBondContact O-OG 3.4Å; L459-S462 WeakPolarHBondContact CA-OG 3.18Å; L459-S462 PolarHBondContact O-N 3.32Å; L459-S462 VanDerWaalsContact O-N 3.12Å; L459-S462 PolarHBondContact O-OG 3.01Å; S462-N464 PolarHBondContact O-N 2.87Å; S462-S465 PolarHBondContact O-N 2.84Å; S462-S465 PolarHBondContact O-OG 2.98Å |
| 463 | E | 44.3 | Very low | 49.9 | Very low | 146 Ų | 146 | 116.2 Ų | 116.2 | 68% | 0.682 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -67.8 | -18.3 | 179 | -73.5 | 176.6 | 172.7 | 0 | 0 | 112.8 | L459 S465 | L459-E463 WeakPolarHBondContact O-CG 3.4Å; L459-E463 PolarHBondContact O-N 3.03Å; E463-S465 VanDerWaalsContact C-N 3.31Å; E463-S465 PolarHBondContact O-N 3.47Å |
| 464 | N | 40.2 | Very low | 47.6 | Very low | 155 Ų | 155 | 116.3 Ų | 116.3 | 83% | 0.829 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -88.3 | 8.3 | -177.6 | -129.5 | 21.7 | 0 | 0 | 0 | 113.8 | S462 | S462-N464 PolarHBondContact O-N 2.87Š|
| 465 | S | 36.2 | Very low | 45.5 | Very low | 100 Ų | 100 | 118.1 Ų | 118.1 | 70% | 0.699 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -126.1 | 7.4 | -176.2 | 53.6 | 0 | 0 | 0 | 0 | 116 | S462 E463 | S462-S465 PolarHBondContact O-N 2.84Å; S462-S465 PolarHBondContact O-OG 2.98Å; E463-S465 VanDerWaalsContact C-N 3.31Å; E463-S465 PolarHBondContact O-N 3.47Å |
| 466 | S | 30.2 | Very low | 43 | Very low | 96 Ų | 96 | 121 Ų | 121 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | trans | -135.9 | 98.1 | 176.3 | 61.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 467 | S | 30 | Very low | 40.7 | Very low | 119 Ų | 119 | 128 Ų | 128 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | trans | -125 | 87.9 | 173.5 | 62.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 468 | T | 32.2 | Very low | 38.6 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 83% | 0.828 | 75% | 0.748 | S | S | * | * | trans | -145 | 118.1 | 162.4 | 41.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 469 | P | 31.1 | Very low | 36.9 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | -99.2 | 121.8 | -177.5 | 34.7 | -27.8 | 0 | 0 | 0 | 111.5 | ||||
| 470 | E | 34.6 | Very low | 35.1 | Very low | 198 Ų | 198 | 139.9 Ų | 139.9 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | trans | -137.2 | 155.4 | 162.1 | -70.7 | -168 | 157.6 | 0 | 0 | 110.2 | ||||
| 471 | E | 27.2 | Very low | 33.3 | Very low | 189 Ų | 189 | 146.5 Ų | 146.5 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -85.7 | 155.7 | -161.3 | -59.3 | 167.8 | 130 | 0 | 0 | 113.1 | ||||
| 472 | C | 26 | Very low | 32.4 | Very low | 117 Ų | 117 | 153 Ų | 153 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | 171.1 | 114.9 | 125.4 | -92.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 473 | E | 27.3 | Very low | 31.3 | Very low | 178 Ų | 178 | 157.6 Ų | 157.6 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | 51.2 | 118.7 | 137.7 | -57.7 | -170.1 | 152.7 | 0 | 0 | 123.7 | ||||
| 474 | E | 26.2 | Very low | 30.8 | Very low | 175 Ų | 175 | 160.9 Ų | 160.9 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | 40 | 118.5 | 132.6 | -52.7 | -157.8 | 152.3 | 0 | 0 | 122 | ||||
| 475 | T | 29 | Very low | 30.2 | Very low | 150 Ų | 150 | 160.3 Ų | 160.3 | 92% | 0.92 | 83% | 0.829 | S | S | * | * | -165.8 | 145 | 100.1 | 18.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 476 | S | 25.4 | Very low | 29.9 | Very low | 112 Ų | 112 | 165.5 Ų | 165.5 | 78% | 0.783 | 84% | 0.84 | S | S | * | * | trans | -110.1 | 127.7 | -170.4 | 58.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 477 | E | 29.7 | Very low | 30 | Very low | 204 Ų | 204 | 166.4 Ų | 166.4 | 95% | 0.953 | 84% | 0.843 | S | S | * | * | trans | -137.3 | 124.2 | 157.7 | -78.3 | -149.7 | 145.2 | 0 | 0 | 114.8 | ||||
| 478 | K | 28.7 | Very low | 30.2 | Very low | 205 Ų | 205 | 168.8 Ų | 168.8 | 89% | 0.891 | 84% | 0.841 | S | S | * | * | trans | -152.3 | 165.3 | 162.7 | -95.1 | -177.5 | -177.9 | 170.6 | 0 | 104.9 | ||||
| 479 | P | 35.3 | Very low | 30.1 | Very low | 111 Ų | 111 | 170.2 Ų | 170.2 | 72% | 0.721 | 84% | 0.838 | S | S | * | * | cis | -132.6 | -168.6 | -21.6 | 38.5 | -21.2 | 0 | 0 | 0 | 111.4 | ||||
| 480 | K | 33.1 | Very low | 30 | Very low | 216 Ų | 216 | 170.1 Ų | 170.1 | 94% | 0.939 | 84% | 0.835 | S | S | * | * | trans | -159.9 | 145.8 | 144.5 | -110.7 | 149.7 | -168.2 | 170.8 | 0 | 115.2 | ||||
| 481 | K | 28 | Very low | 29.9 | Very low | 197 Ų | 197 | 166.3 Ų | 166.3 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | trans | -90.4 | 158.1 | -175.7 | -61.7 | 163.7 | 175.8 | 166.9 | 0 | 111.9 | ||||
| 482 | K | 33.9 | Very low | 30 | Very low | 220 Ų | 220 | 165.8 Ų | 165.8 | 96% | 0.957 | 83% | 0.825 | S | S | * | * | trans | -134.3 | 135.9 | 137.2 | -84.2 | -170.2 | 177.7 | 174.1 | 0 | 110.7 | ||||
| 483 | K | 27.7 | Very low | 30.3 | Very low | 160 Ų | 160 | 169.4 Ų | 169.4 | 70% | 0.696 | 83% | 0.83 | S | S | * | * | trans | -131.4 | 143.7 | -174.6 | -169.6 | -165.4 | -163.5 | -162.1 | 0 | 106.7 | ||||
| 484 | K | 33.9 | Very low | 30.4 | Very low | 215 Ų | 215 | 169 Ų | 169 | 94% | 0.935 | 83% | 0.834 | S | S | * | * | trans | -143.6 | 126.5 | 161.6 | -142.2 | 175.5 | -174.7 | -177.5 | 0 | 109.1 | ||||
| 485 | Q | 29.5 | Very low | 30.6 | Very low | 142 Ų | 142 | 164 Ų | 164 | 66% | 0.664 | 83% | 0.829 | S | S | * | * | trans | -116.7 | 156.4 | 178.7 | -70.2 | 170.7 | -83.4 | 0 | 0 | 109 | ||||
| 486 | K | 29.8 | Very low | 30.8 | Very low | 210 Ų | 210 | 166 Ų | 166 | 91% | 0.913 | 83% | 0.831 | S | S | * | * | trans | -151.3 | 131.2 | 144.5 | -124.5 | -173.7 | 177.4 | -165.6 | 0 | 109.1 | ||||
| 487 | P | 31.1 | Very low | 31 | Very low | 114 Ų | 114 | 170 Ų | 170 | 74% | 0.74 | 84% | 0.837 | S | S | * | * | trans | -111.4 | 166.8 | -178 | 40.7 | -33.3 | 0 | 0 | 0 | 113.5 | ||||
| 488 | Q | 33.8 | Very low | 31 | Very low | 169 Ų | 169 | 167.8 Ų | 167.8 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | trans | 152.4 | 142.7 | 159.5 | -88.3 | 177.3 | -56.9 | 0 | 0 | 106.9 | ||||
| 489 | E | 31.1 | Very low | 31.3 | Very low | 166 Ų | 166 | 163.4 Ų | 163.4 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | cis | -156.6 | 164.4 | -9.2 | -115.8 | 156.6 | -149.4 | 0 | 0 | 107.3 | ||||
| 490 | V | 29.3 | Very low | 31 | Very low | 124 Ų | 124 | 163.9 Ų | 163.9 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | trans | -114.3 | 151.7 | -176.8 | -137.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 491 | P | 32 | Very low | 31 | Very low | 118 Ų | 118 | 160.8 Ų | 160.8 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | -139.2 | 134.7 | 82.8 | 21.9 | 0.4 | 0 | 0 | 0 | 113.8 | |||||
| 492 | Q | 29.2 | Very low | 31.2 | Very low | 178 Ų | 178 | 156.9 Ų | 156.9 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | 59.2 | 101.5 | 90.3 | -76.4 | -171.6 | -26.7 | 0 | 0 | 116.5 | |||||
| 493 | E | 32.7 | Very low | 31 | Very low | 194 Ų | 194 | 156.7 Ų | 156.7 | 91% | 0.907 | 82% | 0.816 | S | S | * | * | -157.1 | 162.2 | 121.4 | -120.2 | 178.5 | -179.4 | 0 | 0 | 111.9 | |||||
| 494 | N | 29.2 | Very low | 31.2 | Very low | 168 Ų | 168 | 154.2 Ų | 154.2 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | -90.2 | 163.9 | -165.1 | -60.4 | -57.5 | 0 | 0 | 0 | 113 | ||||
| 495 | G | 30.8 | Very low | 30.8 | Very low | 70 Ų | 70 | 153.5 Ų | 153.5 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | cis | 169 | -158.1 | -1.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 496 | M | 31.8 | Very low | 30.8 | Very low | 194 Ų | 194 | 152.9 Ų | 152.9 | 96% | 0.956 | 83% | 0.825 | S | S | * | * | trans | 79.9 | 88.2 | 175.1 | -128.7 | 69.4 | 160.3 | 0 | 0 | 117.6 | ||||
| 497 | E | 29.8 | Very low | 30.9 | Very low | 196 Ų | 196 | 152.8 Ų | 152.8 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | -115.1 | 162 | 158.8 | -80.8 | -169.9 | 153.7 | 0 | 0 | 110.6 | ||||
| 498 | D | 29.5 | Very low | 30.6 | Very low | 157 Ų | 157 | 157.5 Ų | 157.5 | 84% | 0.84 | 83% | 0.833 | S | S | * | * | trans | -59.4 | 146.1 | -164 | -65.6 | -66.8 | 0 | 0 | 0 | 118.2 | S500 | D498-S500 PolarHBondContact O-N 3.13Š| ||
| 499 | P | 35.2 | Very low | 30.5 | Very low | 112 Ų | 112 | 159.3 Ų | 159.3 | 73% | 0.727 | 84% | 0.838 | S | S | * | * | trans | -81.5 | 114.1 | 162.1 | 32.9 | -30.3 | 0 | 0 | 0 | 111.4 | ||||
| 500 | S | 30.4 | Very low | 30.3 | Very low | 121 Ų | 121 | 160.2 Ų | 160.2 | 85% | 0.846 | 84% | 0.839 | S | S | * | * | trans | -72.7 | 133.9 | 166.8 | 57.9 | 0 | 0 | 0 | 0 | 111.7 | D498 | D498-S500 PolarHBondContact O-N 3.13Š| ||
| 501 | I | 33 | Very low | 30.1 | Very low | 152 Ų | 152 | 159 Ų | 159 | 78% | 0.779 | 84% | 0.836 | S | S | * | * | trans | -125.1 | 133.8 | 173.9 | -62.4 | -176.9 | 0 | 0 | 0 | 109.6 | ||||
| 502 | P | 30.7 | Very low | 30 | Very low | 114 Ų | 114 | 163 Ų | 163 | 74% | 0.74 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 144 | -161.6 | 36.6 | -34.8 | 0 | 0 | 0 | 114.6 | S504 | P502-S504 PolarHBondContact O-N 2.6Š|
| 503 | F | 30.3 | Very low | 30 | Very low | 216 Ų | 216 | 159.8 Ų | 159.8 | 95% | 0.947 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -75 | 122.5 | 170.2 | -95.6 | -85.1 | 0 | 0 | 0 | 112.4 | ||
| 504 | S | 31.9 | Very low | 29.7 | Very low | 108 Ų | 108 | 159.9 Ų | 159.9 | 76% | 0.755 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 156.4 | -179.3 | 58 | 0 | 0 | 0 | 0 | 113.1 | P502 | P502-S504 PolarHBondContact O-N 2.6Š|
| 505 | K | 25.2 | Very low | 29.6 | Very low | 200 Ų | 200 | 161 Ų | 161 | 87% | 0.87 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 135.1 | 174.5 | -61 | 170.5 | -179.3 | 171.4 | 0 | 110.6 | ||
| 506 | P | 30.6 | Very low | 29.5 | Very low | 130 Ų | 130 | 166.5 Ų | 166.5 | 84% | 0.844 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 136.4 | 157.8 | 31.4 | -28.3 | 0 | 0 | 0 | 111.4 | ||
| 507 | K | 31.3 | Very low | 29.5 | Very low | 207 Ų | 207 | 165.5 Ų | 165.5 | 90% | 0.9 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 152.1 | 175.5 | -76.9 | 178.4 | 175.8 | 175.3 | 0 | 111.6 | ||
| 508 | K | 24.4 | Very low | 29.4 | Very low | 214 Ų | 214 | 165 Ų | 165 | 93% | 0.93 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 132.6 | 174.5 | -68.2 | 176.5 | 173.1 | 179.5 | 0 | 114.4 | ||
| 509 | K | 31.8 | Very low | 29.3 | Very low | 206 Ų | 206 | 162.7 Ų | 162.7 | 90% | 0.896 | 84% | 0.837 | S | S | * | * | trans | -162.3 | 149.5 | 145.2 | -83.1 | -176.9 | -174.7 | 175.8 | 0 | 106.5 | ||||
| 510 | K | 28.1 | Very low | 29.2 | Very low | 185 Ų | 185 | 163.2 Ų | 163.2 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | cis | -170.9 | 127.9 | -23.3 | -168.1 | -173.9 | -174.7 | -170.8 | 0 | 106.7 | ||||
| 511 | S | 25.2 | Very low | 29.1 | Very low | 98 Ų | 98 | 165.2 Ų | 165.2 | 69% | 0.685 | 85% | 0.845 | S | S | * | * | trans | 57.1 | 157.6 | 162.5 | 49 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 512 | F | 29.1 | Very low | 29.1 | Very low | 202 Ų | 202 | 165.3 Ų | 165.3 | 89% | 0.886 | 85% | 0.846 | S | S | * | * | trans | 85.4 | 129.3 | -175.3 | -69.2 | -85.8 | 0 | 0 | 0 | 115.7 | ||||
| 513 | S | 30 | Very low | 29.1 | Very low | 111 Ų | 111 | 167.8 Ų | 167.8 | 78% | 0.776 | 85% | 0.848 | S | S | * | * | cis | -153.7 | 155 | -15.5 | 26.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 514 | K | 25.5 | Very low | 29.2 | Very low | 197 Ų | 197 | 165.8 Ų | 165.8 | 86% | 0.857 | 84% | 0.841 | S | S | * | * | trans | -117.1 | 84.8 | -171.5 | -179.4 | -160.6 | 174.2 | -170.7 | 0 | 110.2 | ||||
| 515 | E | 27.1 | Very low | 29 | Very low | 190 Ų | 190 | 166.8 Ų | 166.8 | 89% | 0.888 | 84% | 0.843 | S | S | * | * | trans | -170.4 | 165.7 | 164.5 | -107.3 | 142 | -153.8 | 0 | 0 | 108.9 | ||||
| 516 | E | 28.7 | Very low | 29.3 | Very low | 187 Ų | 187 | 162.3 Ų | 162.3 | 87% | 0.874 | 84% | 0.844 | S | S | * | * | trans | 65.9 | 80.5 | -177.9 | -57.7 | -168.2 | 150.8 | 0 | 0 | 117.5 | ||||
| 517 | L | 32.4 | Very low | 29.2 | Very low | 173 Ų | 173 | 159.4 Ų | 159.4 | 91% | 0.906 | 84% | 0.837 | S | S | * | * | -169 | 64.3 | 121.9 | -100.6 | 164.5 | 0 | 0 | 0 | 110 | |||||
| 518 | M | 26.4 | Very low | 28.9 | Very low | 185 Ų | 185 | 155.4 Ų | 155.4 | 91% | 0.911 | 84% | 0.835 | S | S | * | * | trans | -109.6 | 91.1 | 165.3 | -80.7 | -180 | 58.1 | 0 | 0 | 109 | ||||
| 519 | S | 27.9 | Very low | 29.1 | Very low | 109 Ų | 109 | 152 Ų | 152 | 76% | 0.762 | 83% | 0.832 | S | S | * | * | trans | 176.2 | 95.4 | 160 | 40.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 520 | S | 33.5 | Very low | 29 | Very low | 122 Ų | 122 | 146.8 Ų | 146.8 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | -167.8 | 50.6 | 154.7 | 43.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 521 | D | 27.3 | Very low | 29 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -125.1 | 87.1 | 164.7 | -95.8 | -40.2 | 0 | 0 | 0 | 108.4 | ||||
| 522 | L | 34.7 | Very low | 29.1 | Very low | 153 Ų | 153 | 146.1 Ų | 146.1 | 80% | 0.801 | 83% | 0.825 | S | S | * | * | trans | -166.5 | 141.7 | 165.4 | -75.3 | -171.8 | 0 | 0 | 0 | 105 | ||||
| 523 | E | 29.1 | Very low | 28.9 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | cis | -174.3 | -164.6 | -13.4 | -123.8 | -179.6 | 170.7 | 0 | 0 | 104.3 | ||||
| 524 | E | 32.6 | Very low | 28.9 | Very low | 174 Ų | 174 | 152.7 Ų | 152.7 | 81% | 0.813 | 83% | 0.832 | S | S | * | * | trans | 67.9 | 92.1 | 171.7 | -53.2 | -164.1 | 142.2 | 0 | 0 | 116.4 | ||||
| 525 | T | 29.3 | Very low | 29.1 | Very low | 129 Ų | 129 | 152.9 Ų | 152.9 | 79% | 0.791 | 83% | 0.833 | S | S | * | * | 70.6 | 127.2 | 61.1 | 77.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 526 | A | 29.5 | Very low | 29.1 | Very low | 107 Ų | 107 | 154 Ų | 154 | 88% | 0.884 | 84% | 0.835 | S | S | * | * | trans | 48.3 | 142.7 | 148.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 527 | G | 28.6 | Very low | 29.1 | Very low | 69 Ų | 69 | 150.7 Ų | 150.7 | 71% | 0.711 | 83% | 0.832 | S | S | * | * | trans | 140.1 | 76.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | T529 | G527-T529 PolarHBondContact O-N 3.34Š| ||
| 528 | S | 24.8 | Very low | 28.7 | Very low | 122 Ų | 122 | 148 Ų | 148 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | -68 | 111.5 | 161.5 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 529 | T | 29.4 | Very low | 28.9 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 87% | 0.871 | 82% | 0.823 | S | S | * | * | trans | -147.9 | 148.4 | 160.9 | 3.7 | 0 | 0 | 0 | 0 | 112.5 | G527 | G527-T529 PolarHBondContact O-N 3.34Š| ||
| 530 | S | 29.7 | Very low | 28.9 | Very low | 97 Ų | 97 | 149.4 Ų | 149.4 | 68% | 0.678 | 83% | 0.828 | S | S | * | * | trans | -98.4 | 138.5 | -164.6 | 45.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 531 | L | 28.7 | Very low | 28.6 | Very low | 155 Ų | 155 | 152.6 Ų | 152.6 | 81% | 0.812 | 83% | 0.829 | S | S | * | * | trans | 63.2 | 157.4 | 147.9 | -68.9 | 173 | 0 | 0 | 0 | 116.9 | ||||
| 532 | P | 26.3 | Very low | 28.7 | Very low | 114 Ų | 114 | 153.4 Ų | 153.4 | 74% | 0.74 | 83% | 0.828 | S | S | * | * | cis | -144.3 | 163 | 32.5 | 40.4 | -19.5 | 0 | 0 | 0 | 119.6 | ||||
| 533 | K | 24.8 | Very low | 28.3 | Very low | 194 Ų | 194 | 151.5 Ų | 151.5 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -2.6 | 116.9 | 150.5 | -60.9 | 168.1 | -179.4 | 169.5 | 0 | 117 | ||||
| 534 | R | 31.4 | Very low | 28.5 | Very low | 257 Ų | 257 | 149.7 Ų | 149.7 | 97% | 0.97 | 82% | 0.823 | S | S | * | * | trans | -117.8 | 148.3 | 147.7 | -111.6 | -179.2 | 171.1 | -174 | -3.6 | 111.3 | ||||
| 535 | K | 29.6 | Very low | 28.3 | Very low | 201 Ų | 201 | 147.5 Ų | 147.5 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -94.9 | 147 | -160.3 | -69.3 | 170.9 | 175.7 | 172.1 | 0 | 113 | ||||
| 536 | K | 26.1 | Very low | 28.3 | Very low | 213 Ų | 213 | 148.6 Ų | 148.6 | 93% | 0.926 | 82% | 0.818 | S | S | * | * | trans | 17.5 | 117.5 | 145.2 | -81 | -179.5 | 167.4 | -177.8 | 0 | 118.2 | ||||
| 537 | S | 28 | Very low | 28.3 | Very low | 118 Ų | 118 | 149.1 Ų | 149.1 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -148.5 | 115.2 | 136.1 | 55.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 538 | S | 24.3 | Very low | 28.4 | Very low | 117 Ų | 117 | 154.7 Ų | 154.7 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 129.9 | 177.6 | 48.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 539 | P | 30.5 | Very low | 28.7 | Very low | 124 Ų | 124 | 158.4 Ų | 158.4 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 150 | 150.4 | -11.3 | 29.7 | 0 | 0 | 0 | 110.1 | ||
| 540 | K | 29.5 | Very low | 28.7 | Very low | 200 Ų | 200 | 156.7 Ų | 156.7 | 87% | 0.87 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 162.2 | -171.2 | -68.5 | 165.4 | 176.4 | 173.5 | 0 | 113.2 | E542 | K540-E542 PolarHBondContact O-N 3.34Š|
| 541 | E | 26.6 | Very low | 28.7 | Very low | 188 Ų | 188 | 155.3 Ų | 155.3 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 121.3 | 159.1 | -64 | 165.7 | 126.4 | 0 | 0 | 109.7 | ||
| 542 | E | 28.8 | Very low | 28.8 | Very low | 182 Ų | 182 | 157 Ų | 157 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | trans | -102.8 | 108.9 | 153.6 | -77.7 | -172.2 | 162.9 | 0 | 0 | 108 | K540 V544 | K540-E542 PolarHBondContact O-N 3.34Å; E542-V544 PolarHBondContact O-N 3.17Å | ||
| 543 | T | 27 | Very low | 29 | Very low | 112 Ų | 112 | 163.4 Ų | 163.4 | 69% | 0.687 | 84% | 0.837 | S | S | * | * | trans | -67.9 | 93.8 | 167.7 | 46.5 | 0 | 0 | 0 | 0 | 108.9 | N545 | T543-N545 VanDerWaalsContact C-N 3.26Å; T543-N545 PolarHBondContact O-N 3.46Å | ||
| 544 | V | 32.4 | Very low | 29.2 | Very low | 128 Ų | 128 | 160.3 Ų | 160.3 | 78% | 0.776 | 84% | 0.84 | S | S | * | * | trans | -68 | 95.5 | 157.7 | -178.2 | 0 | 0 | 0 | 0 | 106.5 | E542 D546 | E542-V544 PolarHBondContact O-N 3.17Å; V544-D546 PolarHBondContact O-N 2.83Å | ||
| 545 | N | 29 | Very low | 29.2 | Very low | 128 Ų | 128 | 151.5 Ų | 151.5 | 68% | 0.684 | 83% | 0.83 | S | S | * | * | trans | -68.3 | 116.6 | 168.8 | -69.4 | -44.9 | 0 | 0 | 0 | 107.9 | T543 P547 | T543-N545 VanDerWaalsContact C-N 3.26Å; T543-N545 PolarHBondContact O-N 3.46Å; N545-P547 WeakPolarHBondContact O-CD 3.26Å | ||
| 546 | D | 29.8 | Very low | 29.3 | Very low | 152 Ų | 152 | 147.9 Ų | 147.9 | 81% | 0.813 | 83% | 0.83 | S | S | * | * | trans | -61.5 | 118.9 | 162.2 | -73.6 | -53.5 | 0 | 0 | 0 | 108.8 | V544 | V544-D546 PolarHBondContact O-N 2.83Š| ||
| 547 | P | 28.5 | Very low | 29.5 | Very low | 118 Ų | 118 | 148 Ų | 148 | 77% | 0.766 | 83% | 0.83 | S | S | * | * | trans | -104.4 | 49.6 | 178.2 | 37.2 | -24 | 0 | 0 | 0 | 111.1 | N545 | N545-P547 WeakPolarHBondContact O-CD 3.26Š| ||
| 548 | E | 31.3 | Very low | 29.7 | Very low | 187 Ų | 187 | 152.6 Ų | 152.6 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | trans | -123.1 | 43.1 | 175.8 | -69.9 | -158.9 | 156 | 0 | 0 | 113.2 | ||||
| 549 | E | 31.8 | Very low | 30.1 | Very low | 200 Ų | 200 | 157 Ų | 157 | 94% | 0.935 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -142.3 | 47.4 | 165.1 | -134.2 | 179.5 | -151.9 | 0 | 0 | 112.7 | ||
| 550 | A | 28.1 | Very low | 30.2 | Very low | 105 Ų | 105 | 163.1 Ų | 163.1 | 87% | 0.868 | 85% | 0.847 | S | S | * | * | trans | -141.8 | 75.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 551 | G | 29.7 | Very low | 30.3 | Very low | 68 Ų | 68 | 163 Ų | 163 | 70% | 0.701 | 85% | 0.846 | S | S | * | * | trans | -172.5 | 60.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 552 | H | 31.2 | Very low | 30.5 | Very low | 190 Ų | 190 | 163.7 Ų | 163.7 | 88% | 0.88 | 85% | 0.847 | S | S | * | * | S | Bend | trans | 166 | 106.4 | 143.8 | -96.2 | -69.7 | 0 | 0 | 0 | 111.4 | ||
| 553 | R | 30.6 | Very low | 30.7 | Very low | 250 Ų | 250 | 159 Ų | 159 | 94% | 0.943 | 83% | 0.834 | S | S | * | * | trans | 164.1 | 75.4 | 142 | -91.3 | 167.3 | -175.8 | -156.6 | 0.1 | 111.2 | ||||
| 554 | S | 29.4 | Very low | 30.9 | Very low | 128 Ų | 128 | 162.8 Ų | 162.8 | 90% | 0.895 | 84% | 0.841 | S | S | * | * | trans | -81.9 | 150.1 | 153.4 | 48.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 555 | G | 30.6 | Very low | 31.1 | Very low | 73 Ų | 73 | 163.4 Ų | 163.4 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | trans | 96.2 | 77.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 556 | S | 31.4 | Very low | 31.3 | Very low | 125 Ų | 125 | 165.4 Ų | 165.4 | 87% | 0.874 | 84% | 0.84 | S | S | * | * | 171.1 | 116.9 | 114.6 | 45.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 557 | K | 30.1 | Very low | 31.6 | Very low | 216 Ų | 216 | 163.7 Ų | 163.7 | 94% | 0.939 | 84% | 0.837 | S | S | * | * | trans | -84 | 124.7 | 168.4 | -74.2 | 172.3 | 176.2 | 169.1 | 0 | 109.3 | ||||
| 558 | K | 33.2 | Very low | 32.1 | Very low | 214 Ų | 214 | 164 Ų | 164 | 93% | 0.93 | 84% | 0.837 | S | S | * | * | trans | -143.8 | 119 | 150.9 | -116.2 | 173.8 | -176.3 | 175.2 | 0 | 110.7 | ||||
| 559 | K | 33.3 | Very low | 32.4 | Very low | 209 Ų | 209 | 159.9 Ų | 159.9 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | -70 | 139.6 | 176.9 | -66.7 | 171.7 | 174.8 | 174.3 | 0 | 110 | ||||
| 560 | R | 32.4 | Very low | 32.7 | Very low | 253 Ų | 253 | 155.8 Ų | 155.8 | 96% | 0.955 | 82% | 0.822 | S | S | * | * | trans | -149.4 | 136.2 | 141 | -110.9 | 174.8 | 176.3 | -176.5 | -3.9 | 109.6 | ||||
| 561 | K | 30.4 | Very low | 32.9 | Very low | 196 Ų | 196 | 154.4 Ų | 154.4 | 85% | 0.852 | 82% | 0.818 | S | S | * | * | trans | -104.1 | 172.8 | 175.5 | -88.4 | -174.1 | 169.8 | -174.2 | 0 | 108.8 | ||||
| 562 | F | 31.9 | Very low | 33.4 | Very low | 204 Ų | 204 | 157.4 Ų | 157.4 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | trans | 71.8 | 143.8 | -179.8 | -81.1 | -104.4 | 0 | 0 | 0 | 113.7 | ||||
| 563 | S | 33.7 | Very low | 33.4 | Very low | 83 Ų | 83 | 157.5 Ų | 157.5 | 58% | 0.58 | 83% | 0.826 | S | S | * | * | cis | -135.6 | -171.5 | 11.2 | 54.3 | 0 | 0 | 0 | 0 | 112.8 | E565 | S563-E565 WeakPolarHBondContact CB-OE1 3.45Å; S563-E565 VanDerWaalsContact CB-OE2 3.27Å; S563-E565 WeakPolarHBondContact CB-OE2 3.45Å; S563-E565 PolarHBondContact OG-OE1 3.04Å; S563-E565 PolarHBondContact OG-OE2 2.75Å | ||
| 564 | K | 30.6 | Very low | 33.6 | Very low | 191 Ų | 191 | 155.1 Ų | 155.1 | 83% | 0.83 | 83% | 0.826 | S | S | * | * | trans | -131.1 | 97.2 | -166.5 | 174.4 | -159.5 | 173 | -171 | 0 | 109.5 | ||||
| 565 | E | 35.6 | Very low | 33.9 | Very low | 141 Ų | 141 | 153.6 Ų | 153.6 | 66% | 0.659 | 82% | 0.821 | S | S | * | * | trans | -151.1 | 143.9 | -178.6 | -58.1 | 74.8 | -137 | 0 | 0 | 110.1 | S563 | S563-E565 WeakPolarHBondContact CB-OE1 3.45Å; S563-E565 VanDerWaalsContact CB-OE2 3.27Å; S563-E565 WeakPolarHBondContact CB-OE2 3.45Å; S563-E565 PolarHBondContact OG-OE1 3.04Å; S563-E565 PolarHBondContact OG-OE2 2.75Å | ||
| 566 | E | 33.3 | Very low | 34.2 | Very low | 171 Ų | 171 | 155.3 Ų | 155.3 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | cis | -154.6 | 158.4 | -43 | -91.4 | -110.9 | 90.6 | 0 | 0 | 108.7 | ||||
| 567 | P | 35.9 | Very low | 34.6 | Very low | 115 Ų | 115 | 153.2 Ų | 153.2 | 75% | 0.747 | 83% | 0.826 | S | S | * | * | trans | -100 | 128.4 | -176.3 | 35.8 | -28.8 | 0 | 0 | 0 | 114.3 | ||||
| 568 | V | 39.2 | Very low | 34.8 | Very low | 126 Ų | 126 | 152.7 Ų | 152.7 | 76% | 0.764 | 82% | 0.824 | S | S | * | * | trans | -138.9 | 109 | 177.9 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 569 | S | 38 | Very low | 34.9 | Very low | 100 Ų | 100 | 147.5 Ų | 147.5 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | 64.3 | 127.3 | 103.9 | 121 | 0 | 0 | 0 | 0 | 114 | |||||
| 570 | S | 37.4 | Very low | 35.1 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | cis | 112.1 | 121.6 | 20.5 | 67.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 571 | G | 34.3 | Very low | 35.4 | Very low | 76 Ų | 76 | 136.9 Ų | 136.9 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | 102.1 | 164.1 | 164 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 572 | P | 38.2 | Very low | 35.7 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | cis | -121.5 | 158.2 | 5.2 | 38.8 | -25.6 | 0 | 0 | 0 | 115.8 | ||||
| 573 | E | 32.4 | Very low | 36 | Very low | 192 Ų | 192 | 137.6 Ų | 137.6 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | -86.2 | 139.3 | 148.3 | -72.6 | -176.7 | 117.4 | 0 | 0 | 108.4 | ||||
| 574 | E | 35.6 | Very low | 36.2 | Very low | 200 Ų | 200 | 143.3 Ų | 143.3 | 94% | 0.935 | 82% | 0.822 | S | S | * | * | trans | -164.2 | 160.9 | 142.3 | -118.3 | 177.3 | -172.9 | 0 | 0 | 113.9 | ||||
| 575 | A | 35.4 | Very low | 36.6 | Very low | 97 Ų | 97 | 144 Ų | 144 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | trans | -72.5 | 154.7 | -156 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 576 | A | 37 | Very low | 36.5 | Very low | 109 Ų | 109 | 147 Ų | 147 | 90% | 0.901 | 84% | 0.836 | S | S | * | * | 165 | 137.7 | 118.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 577 | G | 38.1 | Very low | 36.9 | Very low | 81 Ų | 81 | 147.8 Ų | 147.8 | 84% | 0.835 | 84% | 0.838 | S | S | * | * | trans | 151.3 | 89.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 578 | K | 35.2 | Very low | 37.2 | Very low | 205 Ų | 205 | 151.1 Ų | 151.1 | 89% | 0.891 | 84% | 0.843 | S | S | * | * | trans | -50.8 | 149 | 174.2 | -54 | 156.8 | 178.9 | 172 | 0 | 112.6 | ||||
| 579 | S | 35.1 | Very low | 37.1 | Very low | 104 Ų | 104 | 154.6 Ų | 154.6 | 73% | 0.727 | 85% | 0.847 | S | S | * | * | 173 | 155 | 59.3 | 49.8 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 580 | S | 37.1 | Very low | 37.4 | Very low | 117 Ų | 117 | 154.2 Ų | 154.2 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | trans | 67.7 | 147.7 | 159.5 | 83.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 581 | S | 38.3 | Very low | 37.5 | Very low | 122 Ų | 122 | 153.8 Ų | 153.8 | 85% | 0.853 | 85% | 0.848 | S | S | * | * | cis | -156.1 | 172.9 | -15.6 | 58.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 582 | K | 37.3 | Very low | 38.1 | Very low | 202 Ų | 202 | 159.1 Ų | 159.1 | 88% | 0.878 | 85% | 0.852 | S | S | * | * | trans | -84.1 | 147.7 | -166.1 | -60.6 | 161.4 | 175.1 | 168.1 | 0 | 115.2 | ||||
| 583 | K | 39.1 | Very low | 38.5 | Very low | 214 Ų | 214 | 161.5 Ų | 161.5 | 93% | 0.93 | 85% | 0.852 | S | S | * | * | -167.4 | 138.6 | 120 | -111.3 | 167.9 | -177.3 | 173 | 0 | 114.8 | |||||
| 584 | K | 36.1 | Very low | 39.4 | Very low | 202 Ų | 202 | 164 Ų | 164 | 88% | 0.878 | 87% | 0.872 | S | S | * | * | trans | -90 | 153.3 | 172 | -68.6 | 173.4 | 172.2 | 176.9 | 0 | 110.8 | ||||
| 585 | K | 40.3 | Very low | 39.6 | Very low | 206 Ų | 206 | 162.3 Ų | 162.3 | 90% | 0.896 | 87% | 0.869 | S | S | * | * | trans | -161.4 | 126.2 | 132.9 | -112.3 | 177.6 | -178.8 | -173 | 0 | 112.1 | ||||
| 586 | K | 33.7 | Very low | 39.9 | Very low | 203 Ų | 203 | 165.7 Ų | 165.7 | 88% | 0.883 | 87% | 0.872 | S | S | * | * | trans | -109.8 | 136.9 | 158.4 | -87.4 | -175 | 172.5 | -176.5 | 0 | 106.6 | ||||
| 587 | F | 40.7 | Very low | 40 | Very low | 189 Ų | 189 | 168.8 Ų | 168.8 | 83% | 0.829 | 87% | 0.87 | S | S | * | * | trans | -157.4 | 110 | 155.9 | -108.5 | -90 | 0 | 0 | 0 | 105 | ||||
| 588 | H | 41.5 | Very low | 40.1 | Very low | 184 Ų | 184 | 174 Ų | 174 | 85% | 0.852 | 87% | 0.873 | S | S | * | * | 86.2 | 155.2 | 82.7 | -107.3 | -65.9 | 0 | 0 | 0 | 114.1 | |||||
| 589 | K | 37.9 | Very low | 40.4 | Very low | 199 Ų | 199 | 172.1 Ų | 172.1 | 87% | 0.865 | 87% | 0.871 | S | S | * | * | trans | -136.3 | 126.7 | -154 | 168.6 | -165.4 | 178.3 | -173 | 0 | 109.8 | ||||
| 590 | A | 43.9 | Very low | 40.8 | Very low | 92 Ų | 92 | 176.6 Ų | 176.6 | 76% | 0.76 | 88% | 0.881 | S | S | * | * | trans | 164.4 | 157.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 591 | S | 40.7 | Very low | 41 | Very low | 106 Ų | 106 | 180.9 Ų | 180.9 | 74% | 0.741 | 89% | 0.885 | S | S | * | * | cis | 168.6 | 170.1 | -15.9 | -80.3 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 592 | Q | 46.4 | Very low | 41.3 | Very low | 188 Ų | 188 | 185.4 Ų | 185.4 | 88% | 0.879 | 89% | 0.888 | S | S | * | * | trans | 80.2 | 124.2 | -171.7 | -56.9 | 179.3 | -56.7 | 0 | 0 | 112.5 | ||||
| 593 | E | 47.2 | Very low | 41.6 | Very low | 180 Ų | 180 | 184 Ų | 184 | 84% | 0.841 | 89% | 0.889 | S | S | * | * | cis | 60.3 | 81.5 | 21.9 | -65.4 | -179.3 | 169 | 0 | 0 | 113.7 | ||||
| 594 | D | 51.3 | Low | 41.8 | Very low | 245 Ų | 245 | 181.3 Ų | 181.3 | 100% | 1.31 | 89% | 0.885 | S | S | * | * | -142.1 | 0 | 89.8 | -90.8 | -37.8 | 0 | 0 | 0 | 109.7 |
Retrieved 594 of 594 residues in 1433 ms
(Link to these results)