| 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 | 89 | Confident | 96.5 | Very high | 94 Ų | 94 | 22.5 Ų | 22.5 | 46% | 0.463 | 12% | 0.115 | S | C | . | . | 0 | 131.3 | 0 | -179.6 | 179.7 | -74.4 | 0 | 0 | 107.9 | D84 V85 E86 L121 I321 | M1-D84 HydrophobicContact CG-CB 4.38Å; M1-D84 HydrophobicContact SD-CB 4.24Å; M1-V85 WeakPolarHBondContact CA-O 3.32Å; M1-E86 HydrophobicContact CB-CG 4.39Å; M1-E86 HydrophobicContact CE-CG 3.81Å; M1-E86 WeakPolarHBondContact CE-OE1 2.95Å; M1-E86 HydrophobicContact CG-CG 4.47Å; M1-L121 HydrophobicContact CG-CD2 4.18Å; M1-L121 HydrophobicContact SD-CD2 4.42Å; M1-I321 HydrophobicContact CE-CD1 4.48Å; M1-I321 HydrophobicContact SD-CD1 3.65Å | |||
| 2 | F | 92.5 | Very high | 96.6 | Very high | 51 Ų | 51 | 20.8 Ų | 20.8 | 22% | 0.224 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 141.8 | 178.1 | -60 | -79.1 | 0 | 0 | 0 | 109.4 | Y4 D84 V85 L87 E90 | F2-Y4 HydrophobicContact CB-CE2 3.89Å; F2-D84 WeakPolarHBondContact O-CA 3.41Å; F2-V85 PolarHBondContact N-O 3.3Å; F2-V85 PolarHBondContact O-N 3.09Å; F2-L87 HydrophobicContact CD2-CB 4.15Å; F2-L87 HydrophobicContact CE2-CB 4.33Å; F2-E90 HydrophobicContact CD1-CB 3.97Å; F2-E90 HydrophobicContact CD1-CG 3.73Å; F2-E90 HydrophobicContact CD2-CB 4.44Å; F2-E90 HydrophobicContact CE1-CB 3.65Å; F2-E90 HydrophobicContact CE1-CG 3.91Å; F2-E90 HydrophobicContact CE2-CB 4.15Å; F2-E90 HydrophobicContact CG-CB 4.36Å; F2-E90 HydrophobicContact CG-CG 4.12Å; F2-E90 HydrophobicContact CZ-CB 3.75Å; F2-E90 HydrophobicContact CZ-CG 4.44Å |
| 3 | R | 94.9 | Very high | 96.6 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.015 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125 | 171.2 | 179.8 | 168.8 | -74.2 | 165.9 | 13.7 | 109.5 | R65 T82 F83 D84 T118 V119 L121 F123 | R3-R65 VanDerWaalsContact NH2-NH1 3.18Å; R3-T82 HydrophobicContact CG-CG2 4.21Å; R3-F83 WeakPolarHBondContact CA-O 3.38Å; R3-D84 VanDerWaalsContact CB-OD1 3.28Å; R3-D84 WeakPolarHBondContact CB-OD1 3.21Å; R3-D84 WeakPolarHBondContact CG-OD1 3.41Å; R3-D84 IonicContact CZ-OD1 2.86Å; R3-D84 IonicContact CZ-OD2 2.78Å; R3-D84 IonicContact NE-OD1 3.17Å; R3-D84 PolarHBondContact NE-OD1 3.45Å; R3-D84 IonicContact NE-OD2 3.38Å; R3-D84 IonicContact NH2-OD1 3.87Å; R3-D84 PolarHBondContact NH2-OD1 3.42Å; R3-D84 VanDerWaalsContact NH2-OD1 3.14Å; R3-D84 IonicContact NH2-OD2 3.95Å; R3-D84 PolarHBondContact NH2-OD2 3.28Å; R3-T118 WeakPolarHBondContact O-CA 3.37Å; R3-V119 HydrophobicContact CB-CG2 4.13Å; R3-V119 HydrophobicContact CG-CG2 3.56Å; R3-V119 PolarHBondContact O-N 3.19Å; R3-L121 HydrophobicContact CB-CD2 3.92Å; R3-L121 PolarHBondContact NH1-O 3.36Å; R3-L121 PolarHBondContact NH2-O 3.39Å; R3-F123 WeakPolarHBondContact CD-O 3.11Å; R3-F123 PolarHBondContact NH1-O 3.41Å |
| 4 | Y | 96.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 143.2 | 173 | -68.6 | -83.8 | 0 | 0 | 0 | 110 | F2 T82 F83 V85 L87 E90 Y91 P93 L96 R117 T118 | F2-Y4 HydrophobicContact CB-CE2 3.89Å; Y4-T82 CarbonylContact O-C 3.59Å; Y4-T82 WeakPolarHBondContact O-CA 3.42Å; Y4-F83 VanDerWaalsContact CB-CE1 3.48Å; Y4-F83 HydrophobicContact CD2-CE2 4.02Å; Y4-F83 AromaticContact CD2-CZ 3.99Å; Y4-F83 HydrophobicContact CD2-CZ 3.99Å; Y4-F83 HydrophobicContact CG-CE1 4.38Å; Y4-F83 HydrophobicContact CG-CE2 4.46Å; Y4-F83 AromaticContact CG-CZ 3.98Å; Y4-F83 HydrophobicContact CG-CZ 3.98Å; Y4-F83 PolarHBondContact N-O 3.18Å; Y4-F83 PolarHBondContact O-N 2.81Å; Y4-V85 HydrophobicContact CD2-CG2 3.75Å; Y4-V85 HydrophobicContact CE2-CG2 3.53Å; Y4-L87 HydrophobicContact CE2-CD1 4.44Å; Y4-E90 WeakPolarHBondContact OH-CG 3.33Å; Y4-Y91 PolarHBondContact OH-N 3.14Å; Y4-Y91 PolarHBondContact OH-O 3.44Å; Y4-P93 HydrophobicContact CE1-CG 4.5Å; Y4-L96 HydrophobicContact CD1-CD2 3.87Å; Y4-L96 HydrophobicContact CD2-CD2 4.13Å; Y4-L96 HydrophobicContact CE1-CD2 4.01Å; Y4-L96 HydrophobicContact CE2-CD2 4.26Å; Y4-L96 HydrophobicContact CG-CD2 3.92Å; Y4-R117 CarbonylContact C-O 3.57Å; Y4-R117 WeakPolarHBondContact CA-O 3.41Å; Y4-T118 WeakPolarHBondContact CE1-OG1 3.42Å |
| 5 | F | 98 | Very high | 96.5 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 129.2 | 167.3 | 172.7 | -96.1 | 0 | 0 | 0 | 108.9 | S7 T80 A81 T82 C116 R117 V119 F123 A125 Y307 F312 | F5-S7 WeakPolarHBondContact CE1-OG 3.48Å; F5-T80 HydrophobicContact CE1-CG2 4.25Å; F5-T80 HydrophobicContact CE2-CG2 3.92Å; F5-T80 HydrophobicContact CZ-CG2 3.45Å; F5-T80 VanDerWaalsContact CZ-CG2 3.45Å; F5-A81 CarbonylContact C-O 3.51Å; F5-A81 WeakPolarHBondContact CA-O 3.33Å; F5-T82 HydrophobicContact CB-CG2 4.23Å; F5-T82 HydrophobicContact CD2-CG2 4.08Å; F5-C116 VanDerWaalsContact O-CA 3.3Å; F5-C116 WeakPolarHBondContact O-CA 3.31Å; F5-R117 HydrophobicContact CB-CG 3.9Å; F5-R117 HydrophobicContact CD1-CG 3.86Å; F5-R117 HydrophobicContact CG-CG 4.33Å; F5-R117 PolarHBondContact N-O 3.22Å; F5-R117 PolarHBondContact O-N 3.13Å; F5-V119 HydrophobicContact CB-CG1 3.55Å; F5-V119 HydrophobicContact CB-CG2 4.15Å; F5-V119 HydrophobicContact CG-CG1 4.47Å; F5-F123 HydrophobicContact CD2-CD1 4.49Å; F5-F123 AromaticContact CD2-CE1 3.62Å; F5-F123 HydrophobicContact CD2-CE1 3.62Å; F5-F123 HydrophobicContact CD2-CZ 4.36Å; F5-F123 AromaticContact CE2-CE1 3.92Å; F5-F123 HydrophobicContact CE2-CE1 3.92Å; F5-F123 HydrophobicContact CE2-CZ 4.26Å; F5-F123 HydrophobicContact CG-CE1 4.47Å; F5-A125 HydrophobicContact CD2-CB 4.36Å; F5-A125 HydrophobicContact CE2-CB 4.24Å; F5-Y307 AromaticContact CE2-CE2 4Å; F5-Y307 HydrophobicContact CE2-CE2 4Å; F5-Y307 AromaticContact CE2-CZ 3.99Å; F5-Y307 HydrophobicContact CZ-CD2 4.1Å; F5-Y307 AromaticContact CZ-CE2 3.79Å; F5-Y307 HydrophobicContact CZ-CE2 3.79Å; F5-F312 AromaticContact CD1-CE1 4Å; F5-F312 HydrophobicContact CD1-CE1 4Å; F5-F312 HydrophobicContact CD1-CZ 4.46Å; F5-F312 HydrophobicContact CD2-CE1 4.01Å; F5-F312 AromaticContact CE1-CE1 3.98Å; F5-F312 HydrophobicContact CE1-CE1 3.98Å; F5-F312 HydrophobicContact CE1-CZ 4.06Å; F5-F312 AromaticContact CE2-CE1 3.97Å; F5-F312 HydrophobicContact CE2-CE1 3.97Å; F5-F312 HydrophobicContact CE2-CZ 4.49Å; F5-F312 AromaticContact CG-CE1 3.97Å; F5-F312 HydrophobicContact CG-CE1 3.97Å; F5-F312 AromaticContact CZ-CE1 3.92Å; F5-F312 HydrophobicContact CZ-CE1 3.92Å; F5-F312 HydrophobicContact CZ-CZ 4.04Å |
| 6 | L | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137.6 | 175 | -60.7 | 179.3 | 0 | 0 | 0 | 109.4 | F8 T80 A81 F83 I113 D115 C116 | L6-F8 HydrophobicContact CB-CD1 4.31Å; L6-T80 CarbonylContact O-C 3.57Å; L6-T80 WeakPolarHBondContact O-CA 3.38Å; L6-T80 WeakPolarHBondContact O-CB 3.47Å; L6-A81 PolarHBondContact N-O 2.99Å; L6-A81 PolarHBondContact O-N 2.87Å; L6-F83 HydrophobicContact CD1-CD1 3.94Å; L6-F83 HydrophobicContact CD1-CE1 3.57Å; L6-F83 HydrophobicContact CD2-CE1 4.01Å; L6-F83 HydrophobicContact CG-CD1 4.13Å; L6-F83 HydrophobicContact CG-CE1 3.65Å; L6-I113 HydrophobicContact CD1-CD1 4.27Å; L6-I113 HydrophobicContact CD2-CG2 4.1Å; L6-D115 WeakPolarHBondContact CA-O 3.34Å; L6-C116 HydrophobicContact CD2-CB 3.78Å; L6-C116 VanDerWaalsContact CD2-SG 3.55Å |
| 7 | S | 98.5 | Very high | 96.4 | Very high | 8 Ų | 8 | 27.9 Ų | 27.9 | 6% | 0.056 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 134.7 | 155.8 | -57.6 | 0 | 0 | 0 | 0 | 108.5 | F5 N79 I113 L114 D115 | F5-S7 WeakPolarHBondContact CE1-OG 3.48Å; S7-N79 CarbonylContact C-O 3.57Å; S7-N79 WeakPolarHBondContact CA-O 3.47Å; S7-I113 CarbonylContact O-C 3.56Å; S7-L114 PolarHBondContact O-N 3.11Å; S7-D115 PolarHBondContact N-O 3.03Å; S7-D115 PolarHBondContact O-N 2.7Å |
| 8 | F | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 150.5 | -176.7 | 61.2 | -86.1 | 0 | 0 | 0 | 112.1 | L6 Y10 V27 L31 I66 N79 A81 I111 R112 I113 | L6-F8 HydrophobicContact CB-CD1 4.31Å; F8-Y10 AromaticContact CD2-CD1 3.87Å; F8-Y10 HydrophobicContact CD2-CD1 3.87Å; F8-Y10 HydrophobicContact CD2-CE1 4.25Å; F8-Y10 AromaticContact CE2-CD1 3.83Å; F8-Y10 HydrophobicContact CE2-CD1 3.83Å; F8-Y10 AromaticContact CE2-CE1 3.78Å; F8-Y10 HydrophobicContact CE2-CE1 3.78Å; F8-V27 HydrophobicContact CD2-CG1 4.27Å; F8-V27 HydrophobicContact CE2-CG1 3.74Å; F8-L31 HydrophobicContact CD1-CD1 4.25Å; F8-L31 HydrophobicContact CD2-CD1 3.9Å; F8-L31 HydrophobicContact CE1-CD1 4.2Å; F8-L31 HydrophobicContact CE2-CD1 3.85Å; F8-L31 HydrophobicContact CG-CD1 4.11Å; F8-L31 HydrophobicContact CZ-CD1 4.01Å; F8-I66 HydrophobicContact CZ-CG1 4.38Å; F8-N79 HydrophobicContact CD2-CB 4.28Å; F8-N79 HydrophobicContact CE1-CB 4.27Å; F8-N79 HydrophobicContact CE2-CB 3.78Å; F8-N79 HydrophobicContact CZ-CB 3.77Å; F8-N79 PolarHBondContact N-O 3.39Å; F8-N79 PolarHBondContact O-N 3.23Å; F8-A81 HydrophobicContact CE1-CB 3.79Å; F8-I111 HydrophobicContact CD2-CG2 4.4Å; F8-R112 CarbonylContact C-O 3.57Å; F8-R112 WeakPolarHBondContact CA-O 3.3Å; F8-R112 WeakPolarHBondContact CB-O 3.42Å; F8-I113 HydrophobicContact CB-CD1 3.82Å |
| 9 | S | 98.7 | Very high | 96.2 | Very high | 28 Ų | 28 | 28.8 Ų | 28.8 | 20% | 0.196 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 157.5 | 173.1 | 62.1 | 0 | 0 | 0 | 0 | 110.5 | A76 L77 I111 R112 | S9-A76 CarbonylContact C-O 3.58Å; S9-A76 WeakPolarHBondContact CA-O 3.25Å; S9-A76 VanDerWaalsContact CB-O 3.27Å; S9-A76 WeakPolarHBondContact CB-O 3.34Å; S9-L77 VanDerWaalsContact CB-O 3.31Å; S9-L77 WeakPolarHBondContact CB-O 3.47Å; S9-I111 CarbonylContact O-C 3.56Å; S9-I111 VanDerWaalsContact O-CA 3.32Å; S9-I111 WeakPolarHBondContact O-CA 2.99Å; S9-R112 PolarHBondContact N-O 3.42Å; S9-R112 PolarHBondContact O-N 3.09Å |
| 10 | Y | 98.6 | Very high | 96 | Very high | 8 Ų | 8 | 31.7 Ų | 31.7 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 154.6 | 172.5 | 59.1 | -88.9 | 0 | 0 | 0 | 113.2 | F8 V27 T70 V74 A76 N79 E110 | F8-Y10 AromaticContact CD2-CD1 3.87Å; F8-Y10 HydrophobicContact CD2-CD1 3.87Å; F8-Y10 HydrophobicContact CD2-CE1 4.25Å; F8-Y10 AromaticContact CE2-CD1 3.83Å; F8-Y10 HydrophobicContact CE2-CD1 3.83Å; F8-Y10 AromaticContact CE2-CE1 3.78Å; F8-Y10 HydrophobicContact CE2-CE1 3.78Å; Y10-V27 HydrophobicContact CD1-CG1 3.76Å; Y10-V27 HydrophobicContact CD1-CG2 4.14Å; Y10-V27 HydrophobicContact CD2-CG2 3.59Å; Y10-V27 HydrophobicContact CE1-CG1 4.05Å; Y10-V27 HydrophobicContact CE1-CG2 4.25Å; Y10-V27 HydrophobicContact CE2-CG2 3.72Å; Y10-V27 HydrophobicContact CG-CG1 4.1Å; Y10-V27 HydrophobicContact CG-CG2 3.82Å; Y10-T70 WeakPolarHBondContact OH-CB 3.23Å; Y10-T70 WeakPolarHBondContact OH-CG2 3.45Å; Y10-T70 PolarHBondContact OH-OG1 2.77Å; Y10-V74 VanDerWaalsContact CE2-O 3.25Å; Y10-V74 WeakPolarHBondContact CE2-O 3.36Å; Y10-A76 HydrophobicContact CD1-CB 3.76Å; Y10-A76 HydrophobicContact CE1-CB 3.26Å; Y10-A76 HydrophobicContact CE2-CB 4.24Å; Y10-A76 HydrophobicContact CG-CB 4.42Å; Y10-A76 PolarHBondContact N-O 2.84Å; Y10-A76 PolarHBondContact O-N 3.47Å; Y10-N79 HydrophobicContact CE1-CB 4.16Å; Y10-E110 CarbonylContact C-O 3.52Å; Y10-E110 WeakPolarHBondContact CA-O 3.17Å; Y10-E110 VanDerWaalsContact CB-O 3.28Å; Y10-E110 WeakPolarHBondContact CB-O 3.32Å |
| 11 | L | 98.2 | Very high | 95.7 | Very high | 51 Ų | 51 | 33.4 Ų | 33.4 | 27% | 0.267 | 16% | 0.164 | S | C | . | . | trans | -88.3 | 124.4 | 163.3 | -61.1 | 178.4 | 0 | 0 | 0 | 108.9 | F15 H75 E110 | L11-F15 WeakPolarHBondContact O-CD2 3.48Å; L11-F15 WeakPolarHBondContact O-CE2 3.31Å; L11-H75 WeakPolarHBondContact CA-ND1 3.47Å; L11-E110 HydrophobicContact CB-CB 4Å; L11-E110 HydrophobicContact CG-CB 4.48Å; L11-E110 PolarHBondContact N-O 3.15Å | ||
| 12 | G | 97.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | trans | -80.1 | -14.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R14 F15 G73 V74 H75 | G12-R14 PolarHBondContact O-N 3.07Å; G12-F15 PolarHBondContact O-N 3.27Å; G12-G73 VanDerWaalsContact O-CA 3.31Å; G12-G73 WeakPolarHBondContact O-CA 3.29Å; G12-V74 WeakPolarHBondContact CA-O 3.33Å; G12-H75 PolarHBondContact N-ND1 3.07Å | ||
| 13 | S | 96.6 | Very high | 95.2 | Very high | 41 Ų | 41 | 38.9 Ų | 38.9 | 29% | 0.287 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -33.4 | -166 | -57 | 0 | 0 | 0 | 0 | 114.8 | H75 Q166 | S13-H75 PolarHBondContact OG-CE1 3.27Å; S13-Q166 PolarHBondContact OG-OE1 3.48Å |
| 14 | R | 95 | Very high | 95.1 | Very high | 147 Ų | 147 | 42.6 Ų | 42.6 | 56% | 0.555 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 0.4 | -177.4 | -64.3 | 177.8 | 62 | -170.7 | -1.9 | 114 | G12 | G12-R14 PolarHBondContact O-N 3.07Š|
| 15 | F | 97 | Very high | 95 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -111.5 | 138 | -172.3 | -60.3 | -79.6 | 0 | 0 | 0 | 111 | L11 G12 G17 I25 V27 V30 S72 G73 E110 I111 | L11-F15 WeakPolarHBondContact O-CD2 3.48Å; L11-F15 WeakPolarHBondContact O-CE2 3.31Å; G12-F15 PolarHBondContact O-N 3.27Å; F15-G17 PolarHBondContact O-N 2.82Å; F15-I25 WeakPolarHBondContact CA-O 3.44Å; F15-I25 HydrophobicContact CD1-CG2 3.86Å; F15-I25 HydrophobicContact CE1-CG2 3.9Å; F15-V27 HydrophobicContact CB-CG2 4.15Å; F15-V27 HydrophobicContact CD1-CG2 4.03Å; F15-V27 HydrophobicContact CD2-CG2 4.03Å; F15-V27 HydrophobicContact CE1-CG2 4.47Å; F15-V27 HydrophobicContact CE2-CG2 4.47Å; F15-V27 HydrophobicContact CG-CG2 3.79Å; F15-V30 HydrophobicContact CE1-CG2 4.08Å; F15-S72 PolarHBondContact O-OG 2.96Å; F15-G73 PolarHBondContact O-N 3.15Å; F15-E110 HydrophobicContact CE2-CB 4.48Å; F15-I111 HydrophobicContact CE1-CD1 3.98Å; F15-I111 HydrophobicContact CE2-CG1 4.29Å; F15-I111 HydrophobicContact CZ-CD1 3.74Å; F15-I111 HydrophobicContact CZ-CG1 3.81Å |
| 16 | A | 96.2 | Very high | 94.9 | Very high | 26 Ų | 26 | 47.6 Ų | 47.6 | 22% | 0.215 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -73 | 29.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q21 N24 I25 T26 | A16-Q21 PolarHBondContact O-NE2 2.97Å; A16-N24 HydrophobicContact CB-CB 3.54Å; A16-I25 PolarHBondContact N-O 3.38Å; A16-T26 HydrophobicContact CB-CG2 4.35Å |
| 17 | G | 95 | Very high | 94.9 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 5% | 0.052 | 25% | 0.249 | C | C | . | . | trans | 103.6 | -179.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F15 V27 T70 | F15-G17 PolarHBondContact O-N 2.82Å; G17-V27 PolarHBondContact O-N 3.14Å; G17-T70 WeakPolarHBondContact CA-O 3.47Å | ||
| 18 | C | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -81.1 | -39.8 | -176.4 | -165.2 | 0 | 0 | 0 | 0 | 112.7 | Q28 T70 | C18-Q28 WeakPolarHBondContact O-CB 3.3Å; C18-Q28 PolarHBondContact O-N 2.77Å; C18-T70 WeakPolarHBondContact CB-OG1 3.45Å; C18-T70 PolarHBondContact N-O 2.94Å; C18-T70 VanDerWaalsContact N-O 3.13Å |
| 19 | Q | 93.6 | Very high | 94.5 | Very high | 73 Ų | 73 | 49.2 Ų | 49.2 | 34% | 0.341 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -73.8 | 142.5 | -175 | -177.6 | 173.8 | -2.5 | 0 | 0 | 112 | T26 R69 | Q19-T26 WeakPolarHBondContact O-CB 3.27Å; Q19-T26 WeakPolarHBondContact O-CG2 3.41Å; Q19-R69 HydrophobicContact CB-CG 4.49Å; Q19-R69 VanDerWaalsContact OE1-CZ 3.29Å |
| 20 | F | 92.2 | Very high | 94.3 | Very high | 87 Ų | 87 | 48.7 Ų | 48.7 | 38% | 0.382 | 26% | 0.257 | S | S | . | . | trans | -55.4 | 136.6 | 177.6 | 179.7 | -95.4 | 0 | 0 | 0 | 113 | P22 T26 Q28 | F20-P22 HydrophobicContact CE1-CG 4.06Å; F20-T26 WeakPolarHBondContact CA-OG1 3.38Å; F20-Q28 HydrophobicContact CB-CB 4.22Å; F20-Q28 HydrophobicContact CB-CG 4.08Å | ||
| 21 | Q | 88.9 | Confident | 94.2 | Very high | 67 Ų | 67 | 48.4 Ų | 48.4 | 31% | 0.313 | 26% | 0.256 | S | S | . | . | B | Isolated β-bridge | trans | -140.4 | 129.7 | 173.3 | -70.4 | 168.4 | 42.8 | 0 | 0 | 107.4 | A16 D23 N24 T26 | A16-Q21 PolarHBondContact O-NE2 2.97Å; Q21-D23 VanDerWaalsContact C-N 3.33Å; Q21-D23 PolarHBondContact O-N 2.64Å; Q21-N24 HydrophobicContact CB-CB 4.05Å; Q21-N24 PolarHBondContact O-N 2.74Å; Q21-N24 PolarHBondContact OE1-ND2 3.03Å; Q21-T26 HydrophobicContact CB-CG2 4.04Å; Q21-T26 HydrophobicContact CG-CG2 4.29Å |
| 22 | P | 83.5 | Confident | 94 | Very high | 107 Ų | 107 | 46.4 Ų | 46.4 | 70% | 0.695 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -40.2 | -172.1 | -27.9 | 34.9 | 0 | 0 | 0 | 115.2 | F20 | F20-P22 HydrophobicContact CE1-CG 4.06Š|
| 23 | D | 88.9 | Confident | 93.7 | Very high | 154 Ų | 154 | 52 Ų | 52 | 82% | 0.824 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 4.1 | -171.6 | -55.1 | -56 | 0 | 0 | 0 | 113.5 | Q21 | Q21-D23 VanDerWaalsContact C-N 3.33Å; Q21-D23 PolarHBondContact O-N 2.64Å |
| 24 | N | 91.7 | Very high | 93.4 | Very high | 82 Ų | 82 | 50 Ų | 50 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | B | Isolated β-bridge | trans | -129.3 | 145.6 | -173.6 | -69.7 | -51.9 | 0 | 0 | 0 | 112.8 | A16 Q21 T26 | A16-N24 HydrophobicContact CB-CB 3.54Å; Q21-N24 HydrophobicContact CB-CB 4.05Å; Q21-N24 PolarHBondContact O-N 2.74Å; Q21-N24 PolarHBondContact OE1-ND2 3.03Å; N24-T26 HydrophobicContact CB-CG2 4.47Å; N24-T26 PolarHBondContact O-N 3.28Å |
| 25 | I | 94.2 | Very high | 93.2 | Very high | 105 Ų | 105 | 43.2 Ų | 43.2 | 54% | 0.538 | 23% | 0.23 | S | C | . | . | trans | -72 | 120.9 | 171.5 | -55.2 | 178.2 | 0 | 0 | 0 | 108.7 | F15 A16 V30 | F15-I25 WeakPolarHBondContact CA-O 3.44Å; F15-I25 HydrophobicContact CD1-CG2 3.86Å; F15-I25 HydrophobicContact CE1-CG2 3.9Å; A16-I25 PolarHBondContact N-O 3.38Å; I25-V30 HydrophobicContact CG2-CG2 3.99Å | ||
| 26 | T | 96.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | trans | -132.5 | 154.2 | -177.3 | 58 | 0 | 0 | 0 | 0 | 109.9 | A16 Q19 F20 Q21 N24 Q28 G29 V30 | A16-T26 HydrophobicContact CB-CG2 4.35Å; Q19-T26 WeakPolarHBondContact O-CB 3.27Å; Q19-T26 WeakPolarHBondContact O-CG2 3.41Å; F20-T26 WeakPolarHBondContact CA-OG1 3.38Å; Q21-T26 HydrophobicContact CB-CG2 4.04Å; Q21-T26 HydrophobicContact CG-CG2 4.29Å; N24-T26 HydrophobicContact CB-CG2 4.47Å; N24-T26 PolarHBondContact O-N 3.28Å; T26-Q28 VanDerWaalsContact C-N 3.31Å; T26-Q28 PolarHBondContact O-N 3.4Å; T26-G29 PolarHBondContact O-N 3.14Å; T26-G29 PolarHBondContact OG1-N 3.48Å; T26-V30 WeakPolarHBondContact O-CG2 3.24Å; T26-V30 PolarHBondContact O-N 3.13Å | ||
| 27 | V | 97.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61 | -43.4 | -179.9 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | F8 Y10 F15 G17 V30 L31 I111 | F8-V27 HydrophobicContact CD2-CG1 4.27Å; F8-V27 HydrophobicContact CE2-CG1 3.74Å; Y10-V27 HydrophobicContact CD1-CG1 3.76Å; Y10-V27 HydrophobicContact CD1-CG2 4.14Å; Y10-V27 HydrophobicContact CD2-CG2 3.59Å; Y10-V27 HydrophobicContact CE1-CG1 4.05Å; Y10-V27 HydrophobicContact CE1-CG2 4.25Å; Y10-V27 HydrophobicContact CE2-CG2 3.72Å; Y10-V27 HydrophobicContact CG-CG1 4.1Å; Y10-V27 HydrophobicContact CG-CG2 3.82Å; F15-V27 HydrophobicContact CB-CG2 4.15Å; F15-V27 HydrophobicContact CD1-CG2 4.03Å; F15-V27 HydrophobicContact CD2-CG2 4.03Å; F15-V27 HydrophobicContact CE1-CG2 4.47Å; F15-V27 HydrophobicContact CE2-CG2 4.47Å; F15-V27 HydrophobicContact CG-CG2 3.79Å; G17-V27 PolarHBondContact O-N 3.14Å; V27-V30 PolarHBondContact O-N 2.77Å; V27-L31 HydrophobicContact CG1-CD1 4.06Å; V27-L31 WeakPolarHBondContact O-CB 3.31Å; V27-L31 WeakPolarHBondContact O-CG 3.29Å; V27-L31 PolarHBondContact O-N 3.11Å; V27-I111 HydrophobicContact CB-CD1 4.41Å; V27-I111 HydrophobicContact CG1-CD1 3.92Å; V27-I111 HydrophobicContact CG1-CG1 4.29Å |
| 28 | Q | 95.8 | Very high | 91.9 | Very high | 26 Ų | 26 | 44.4 Ų | 44.4 | 12% | 0.121 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59 | -50 | 175.2 | -172.8 | 174.7 | -15.2 | 0 | 0 | 111.5 | C18 F20 T26 V30 L31 E32 L64 I66 | C18-Q28 WeakPolarHBondContact O-CB 3.3Å; C18-Q28 PolarHBondContact O-N 2.77Å; F20-Q28 HydrophobicContact CB-CB 4.22Å; F20-Q28 HydrophobicContact CB-CG 4.08Å; T26-Q28 VanDerWaalsContact C-N 3.31Å; T26-Q28 PolarHBondContact O-N 3.4Å; Q28-V30 VanDerWaalsContact C-N 3.33Å; Q28-V30 PolarHBondContact O-N 2.67Å; Q28-L31 PolarHBondContact O-N 2.85Å; Q28-E32 HydrophobicContact CG-CG 4.17Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.41Å; Q28-E32 PolarHBondContact NE2-OE1 2.81Å; Q28-E32 WeakPolarHBondContact O-CB 3.17Å; Q28-E32 WeakPolarHBondContact O-CG 3.06Å; Q28-E32 PolarHBondContact O-N 3.47Å; Q28-L64 HydrophobicContact CG-CB 4.17Å; Q28-L64 PolarHBondContact NE2-O 3.12Å; Q28-I66 HydrophobicContact CB-CD1 3.49Å; Q28-I66 VanDerWaalsContact CB-CD1 3.49Å; Q28-I66 HydrophobicContact CG-CD1 3.72Å |
| 29 | G | 94.2 | Very high | 91.3 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 18% | 0.175 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.6 | -42.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T26 F33 | T26-G29 PolarHBondContact O-N 3.14Å; T26-G29 PolarHBondContact OG1-N 3.48Å; G29-F33 VanDerWaalsContact O-CB 3.27Å; G29-F33 WeakPolarHBondContact O-CB 3.3Å; G29-F33 PolarHBondContact O-N 2.95Å |
| 30 | V | 95.3 | Very high | 90.5 | Very high | 18 Ų | 18 | 43 Ų | 43 | 11% | 0.109 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.1 | -41.1 | 177 | 173.2 | 0 | 0 | 0 | 0 | 112 | F15 I25 T26 V27 Q28 S34 L104 M109 I111 | F15-V30 HydrophobicContact CE1-CG2 4.08Å; I25-V30 HydrophobicContact CG2-CG2 3.99Å; T26-V30 WeakPolarHBondContact O-CG2 3.24Å; T26-V30 PolarHBondContact O-N 3.13Å; V27-V30 PolarHBondContact O-N 2.77Å; Q28-V30 VanDerWaalsContact C-N 3.33Å; Q28-V30 PolarHBondContact O-N 2.67Å; V30-S34 WeakPolarHBondContact O-CB 3.39Å; V30-S34 PolarHBondContact O-N 2.82Å; V30-S34 PolarHBondContact O-OG 3.22Å; V30-L104 HydrophobicContact CG1-CD2 3.73Å; V30-M109 HydrophobicContact CG1-CB 4.15Å; V30-M109 HydrophobicContact CG1-CG 3.63Å; V30-M109 HydrophobicContact CG1-SD 3.87Å; V30-M109 HydrophobicContact CG2-SD 3.93Å; V30-I111 HydrophobicContact CB-CD1 3.85Å; V30-I111 HydrophobicContact CG1-CD1 3.7Å |
| 31 | L | 95.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.9 | -44.8 | 176.9 | -73.5 | 176.3 | 0 | 0 | 0 | 112.2 | F8 V27 Q28 S34 L35 L64 L104 I111 I113 | F8-L31 HydrophobicContact CD1-CD1 4.25Å; F8-L31 HydrophobicContact CD2-CD1 3.9Å; F8-L31 HydrophobicContact CE1-CD1 4.2Å; F8-L31 HydrophobicContact CE2-CD1 3.85Å; F8-L31 HydrophobicContact CG-CD1 4.11Å; F8-L31 HydrophobicContact CZ-CD1 4.01Å; V27-L31 HydrophobicContact CG1-CD1 4.06Å; V27-L31 WeakPolarHBondContact O-CB 3.31Å; V27-L31 WeakPolarHBondContact O-CG 3.29Å; V27-L31 PolarHBondContact O-N 3.11Å; Q28-L31 PolarHBondContact O-N 2.85Å; L31-S34 PolarHBondContact O-N 3.12Å; L31-L35 WeakPolarHBondContact O-CG 3.41Å; L31-L35 PolarHBondContact O-N 2.84Å; L31-L64 HydrophobicContact CB-CD1 4.31Å; L31-L64 HydrophobicContact CB-CD2 3.84Å; L31-L64 HydrophobicContact CD1-CD2 3.74Å; L31-L64 HydrophobicContact CG-CD2 4.44Å; L31-L104 HydrophobicContact CD2-CD1 4.13Å; L31-L104 HydrophobicContact CD2-CD2 4.47Å; L31-I111 HydrophobicContact CD1-CG2 4.49Å; L31-I111 HydrophobicContact CD2-CG2 3.85Å; L31-I111 HydrophobicContact CG-CG2 4.29Å; L31-I113 HydrophobicContact CD2-CD1 3.74Å |
| 32 | E | 93.9 | Very high | 88.6 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.7 | -46.8 | 176 | -71.1 | -176.4 | 176.9 | 0 | 0 | 110.7 | Q28 S34 L35 V36 R63 L64 | Q28-E32 HydrophobicContact CG-CG 4.17Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.41Å; Q28-E32 PolarHBondContact NE2-OE1 2.81Å; Q28-E32 WeakPolarHBondContact O-CB 3.17Å; Q28-E32 WeakPolarHBondContact O-CG 3.06Å; Q28-E32 PolarHBondContact O-N 3.47Å; E32-S34 VanDerWaalsContact C-N 3.33Å; E32-S34 PolarHBondContact O-N 3.27Å; E32-L35 PolarHBondContact O-N 3.23Å; E32-V36 VanDerWaalsContact O-CG2 3.32Å; E32-V36 WeakPolarHBondContact O-CG2 3.39Å; E32-V36 PolarHBondContact O-N 3.4Å; E32-R63 WeakPolarHBondContact OE1-CA 3.08Å; E32-R63 IonicContact OE2-CZ 2.73Å; E32-R63 IonicContact OE2-NE 2.84Å; E32-R63 IonicContact OE2-NH1 3.73Å; E32-R63 PolarHBondContact OE2-NH1 2.96Å; E32-L64 HydrophobicContact CB-CD1 4.45Å; E32-L64 HydrophobicContact CG-CB 4.36Å; E32-L64 HydrophobicContact CG-CD1 3.49Å; E32-L64 VanDerWaalsContact CG-CD1 3.49Å; E32-L64 PolarHBondContact OE1-N 3.29Å |
| 33 | F | 91 | Very high | 87.6 | Confident | 117 Ų | 117 | 43.5 Ų | 43.5 | 51% | 0.513 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58 | -43.8 | 174.3 | 179 | -100.2 | 0 | 0 | 0 | 112.4 | G29 L35 V36 L37 L107 | G29-F33 VanDerWaalsContact O-CB 3.27Å; G29-F33 WeakPolarHBondContact O-CB 3.3Å; G29-F33 PolarHBondContact O-N 2.95Å; F33-L35 VanDerWaalsContact C-N 3.34Å; F33-L35 PolarHBondContact O-N 3.21Å; F33-V36 PolarHBondContact O-N 3.23Å; F33-L37 HydrophobicContact CE1-CD2 4.37Å; F33-L37 WeakPolarHBondContact O-CB 3.33Å; F33-L37 PolarHBondContact O-N 3.31Å; F33-L107 HydrophobicContact CD1-CD1 4.21Å; F33-L107 HydrophobicContact CE1-CD1 4.13Å |
| 34 | S | 91.3 | Very high | 86 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.3 | -38 | 178.8 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | V30 L31 E32 F38 L103 | V30-S34 WeakPolarHBondContact O-CB 3.39Å; V30-S34 PolarHBondContact O-N 2.82Å; V30-S34 PolarHBondContact O-OG 3.22Å; L31-S34 PolarHBondContact O-N 3.12Å; E32-S34 VanDerWaalsContact C-N 3.33Å; E32-S34 PolarHBondContact O-N 3.27Å; S34-F38 WeakPolarHBondContact O-CB 3.35Å; S34-F38 PolarHBondContact O-N 3.34Å; S34-L103 VanDerWaalsContact O-CD1 3.24Å; S34-L103 WeakPolarHBondContact O-CD1 3.33Å |
| 35 | L | 90.9 | Very high | 84 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.7 | -45.6 | 174.4 | -74.8 | 174.1 | 0 | 0 | 0 | 111.8 | L31 E32 F33 L37 F38 L39 P62 L64 F83 L96 I100 | L31-L35 WeakPolarHBondContact O-CG 3.41Å; L31-L35 PolarHBondContact O-N 2.84Å; E32-L35 PolarHBondContact O-N 3.23Å; F33-L35 VanDerWaalsContact C-N 3.34Å; F33-L35 PolarHBondContact O-N 3.21Å; L35-L37 VanDerWaalsContact C-N 3.34Å; L35-L37 PolarHBondContact O-N 3.41Å; L35-F38 WeakPolarHBondContact O-CB 3.42Å; L35-F38 PolarHBondContact O-N 3.29Å; L35-L39 WeakPolarHBondContact O-CG 3.33Å; L35-L39 PolarHBondContact O-N 3.44Å; L35-P62 HydrophobicContact CB-CG 3.91Å; L35-P62 HydrophobicContact CD1-CB 4.31Å; L35-P62 HydrophobicContact CD1-CG 4.47Å; L35-L64 HydrophobicContact CD1-CD1 3.5Å; L35-L64 VanDerWaalsContact CD1-CD1 3.5Å; L35-F83 HydrophobicContact CD1-CD1 4.04Å; L35-F83 HydrophobicContact CD1-CD2 3.81Å; L35-F83 HydrophobicContact CD1-CE1 4.12Å; L35-F83 HydrophobicContact CD1-CE2 3.9Å; L35-F83 HydrophobicContact CD1-CG 3.88Å; L35-F83 HydrophobicContact CD1-CZ 4.04Å; L35-F83 HydrophobicContact CD2-CE1 4.22Å; L35-F83 HydrophobicContact CD2-CE2 3.85Å; L35-F83 HydrophobicContact CD2-CZ 3.63Å; L35-L96 HydrophobicContact CD2-CD1 4.45Å; L35-I100 HydrophobicContact CD2-CD1 3.47Å; L35-I100 VanDerWaalsContact CD2-CD1 3.47Å; L35-I100 HydrophobicContact CD2-CG1 4.02Å; L35-I100 HydrophobicContact CG-CD1 4.46Å |
| 36 | V | 87.7 | Confident | 81.9 | Confident | 20 Ų | 20 | 45.3 Ų | 45.3 | 12% | 0.121 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59 | -47.6 | 177 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | E32 F33 F38 L39 Y40 L58 E61 P62 | E32-V36 VanDerWaalsContact O-CG2 3.32Å; E32-V36 WeakPolarHBondContact O-CG2 3.39Å; E32-V36 PolarHBondContact O-N 3.4Å; F33-V36 PolarHBondContact O-N 3.23Å; V36-F38 VanDerWaalsContact C-N 3.35Å; V36-F38 PolarHBondContact O-N 2.7Å; V36-L39 PolarHBondContact O-N 3.07Å; V36-Y40 HydrophobicContact CG1-CD2 3.45Å; V36-Y40 VanDerWaalsContact CG1-CD2 3.45Å; V36-Y40 HydrophobicContact CG1-CE2 3.34Å; V36-Y40 WeakPolarHBondContact O-CD2 3.2Å; V36-Y40 PolarHBondContact O-N 3.2Å; V36-L58 HydrophobicContact CG1-CD1 4.48Å; V36-L58 HydrophobicContact CG2-CD1 4.38Å; V36-E61 HydrophobicContact CG2-CB 4.46Å; V36-E61 HydrophobicContact CG2-CG 4.5Å; V36-P62 HydrophobicContact CG2-CG 3.97Å |
| 37 | L | 85.7 | Confident | 79.5 | Confident | 32 Ų | 32 | 48.6 Ų | 48.6 | 17% | 0.168 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 177.4 | -177.7 | 59.5 | 0 | 0 | 0 | 112.2 | F33 L35 Y40 L41 M52 L103 | F33-L37 HydrophobicContact CE1-CD2 4.37Å; F33-L37 WeakPolarHBondContact O-CB 3.33Å; F33-L37 PolarHBondContact O-N 3.31Å; L35-L37 VanDerWaalsContact C-N 3.34Å; L35-L37 PolarHBondContact O-N 3.41Å; L37-Y40 PolarHBondContact O-N 2.74Å; L37-L41 HydrophobicContact CD1-CD1 3.88Å; L37-L41 HydrophobicContact CD1-CG 4.07Å; L37-L41 HydrophobicContact CG-CD1 3.84Å; L37-L41 HydrophobicContact CG-CG 4.44Å; L37-L41 WeakPolarHBondContact O-CB 3.38Å; L37-L41 VanDerWaalsContact O-CG 3.25Å; L37-L41 WeakPolarHBondContact O-CG 3.46Å; L37-L41 PolarHBondContact O-N 2.74Å; L37-M52 HydrophobicContact CD1-CE 4.07Å; L37-L103 HydrophobicContact CB-CD1 4.25Å; L37-L103 HydrophobicContact CD2-CD1 4.26Å; L37-L103 HydrophobicContact CD2-CD2 3.79Å; L37-L103 HydrophobicContact CG-CD1 4.22Å; L37-L103 HydrophobicContact CG-CD2 4.27Å |
| 38 | F | 85.6 | Confident | 77.3 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 4% | 0.044 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.2 | -49.4 | 174 | 165.9 | -101.5 | 0 | 0 | 0 | 111.9 | S34 L35 V36 Y40 L41 F42 Y91 Y95 L96 A99 L103 | S34-F38 WeakPolarHBondContact O-CB 3.35Å; S34-F38 PolarHBondContact O-N 3.34Å; L35-F38 WeakPolarHBondContact O-CB 3.42Å; L35-F38 PolarHBondContact O-N 3.29Å; V36-F38 VanDerWaalsContact C-N 3.35Å; V36-F38 PolarHBondContact O-N 2.7Å; F38-Y40 VanDerWaalsContact C-N 3.34Å; F38-Y40 PolarHBondContact O-N 3.35Å; F38-L41 PolarHBondContact O-N 2.95Å; F38-F42 HydrophobicContact CE2-CB 4.34Å; F38-F42 HydrophobicContact CE2-CG 4.45Å; F38-F42 WeakPolarHBondContact O-CB 3.44Å; F38-F42 PolarHBondContact O-N 3.32Å; F38-Y91 AromaticContact CE1-CD2 3.97Å; F38-Y91 HydrophobicContact CE1-CD2 3.97Å; F38-Y91 AromaticContact CE1-CE2 3.82Å; F38-Y91 HydrophobicContact CE1-CE2 3.82Å; F38-Y91 HydrophobicContact CZ-CD1 4.46Å; F38-Y91 HydrophobicContact CZ-CD2 4.24Å; F38-Y91 HydrophobicContact CZ-CE1 4.41Å; F38-Y91 HydrophobicContact CZ-CE2 4.17Å; F38-Y91 HydrophobicContact CZ-CG 4.41Å; F38-Y95 AromaticContact CE2-CE1 3.75Å; F38-Y95 HydrophobicContact CE2-CE1 3.75Å; F38-Y95 HydrophobicContact CZ-CD1 4.38Å; F38-Y95 AromaticContact CZ-CE1 3.87Å; F38-Y95 HydrophobicContact CZ-CE1 3.87Å; F38-L96 HydrophobicContact CD1-CD1 3.68Å; F38-L96 HydrophobicContact CE1-CD1 3.42Å; F38-L96 VanDerWaalsContact CE1-CD1 3.42Å; F38-L96 HydrophobicContact CG-CD1 4.36Å; F38-L96 HydrophobicContact CZ-CD1 3.89Å; F38-A99 HydrophobicContact CD2-CB 3.53Å; F38-A99 HydrophobicContact CE2-CB 3.58Å; F38-L103 HydrophobicContact CB-CD1 3.98Å |
| 39 | L | 82.8 | Confident | 75.4 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.3 | -43.7 | -179.8 | -69.5 | 174 | 0 | 0 | 0 | 111.1 | L35 V36 F42 I43 L58 P62 V85 L87 Y91 | L35-L39 WeakPolarHBondContact O-CG 3.33Å; L35-L39 PolarHBondContact O-N 3.44Å; V36-L39 PolarHBondContact O-N 3.07Å; L39-F42 PolarHBondContact O-N 2.91Å; L39-I43 HydrophobicContact CB-CD1 4.25Å; L39-I43 WeakPolarHBondContact O-CB 3.39Å; L39-I43 WeakPolarHBondContact O-CD1 3.26Å; L39-I43 WeakPolarHBondContact O-CG1 3.48Å; L39-I43 PolarHBondContact O-N 2.89Å; L39-L58 HydrophobicContact CD1-CD1 4.41Å; L39-P62 HydrophobicContact CD1-CG 4.05Å; L39-V85 HydrophobicContact CD1-CG1 4.1Å; L39-L87 HydrophobicContact CD2-CD2 3.76Å; L39-Y91 HydrophobicContact CD2-CE2 4.23Å |
| 40 | Y | 76.9 | Confident | 73.3 | Confident | 34 Ų | 34 | 61.3 Ų | 61.3 | 13% | 0.133 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 177.2 | -81.3 | -59.6 | 0 | 0 | 0 | 112.9 | V36 L37 F38 F42 S44 M55 L58 | V36-Y40 HydrophobicContact CG1-CD2 3.45Å; V36-Y40 VanDerWaalsContact CG1-CD2 3.45Å; V36-Y40 HydrophobicContact CG1-CE2 3.34Å; V36-Y40 WeakPolarHBondContact O-CD2 3.2Å; V36-Y40 PolarHBondContact O-N 3.2Å; L37-Y40 PolarHBondContact O-N 2.74Å; F38-Y40 VanDerWaalsContact C-N 3.34Å; F38-Y40 PolarHBondContact O-N 3.35Å; Y40-F42 VanDerWaalsContact C-N 3.28Å; Y40-F42 PolarHBondContact O-N 3.29Å; Y40-S44 WeakPolarHBondContact O-CB 3.42Å; Y40-S44 PolarHBondContact O-N 2.68Å; Y40-S44 VanDerWaalsContact O-N 3.16Å; Y40-M55 HydrophobicContact CD1-CE 3.88Å; Y40-M55 HydrophobicContact CD1-SD 3.37Å; Y40-M55 WeakPolarHBondContact CD1-SD 3.24Å; Y40-M55 HydrophobicContact CE1-CB 3.95Å; Y40-M55 HydrophobicContact CE1-CE 3.88Å; Y40-M55 HydrophobicContact CE1-CG 4.32Å; Y40-M55 HydrophobicContact CE1-SD 3.55Å; Y40-M55 VanDerWaalsContact CE1-SD 3.55Å; Y40-L58 HydrophobicContact CE2-CD1 4.29Å; Y40-L58 HydrophobicContact CE2-CG 4.47Å; Y40-L58 PolarHBondContact OH-N 2.87Å |
| 41 | L | 73.6 | Confident | 71.1 | Confident | 97 Ų | 97 | 61 Ų | 61 | 51% | 0.508 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.1 | -32.8 | 180 | -70.7 | 167.9 | 0 | 0 | 0 | 112.5 | L37 F38 L103 | L37-L41 HydrophobicContact CD1-CD1 3.88Å; L37-L41 HydrophobicContact CD1-CG 4.07Å; L37-L41 HydrophobicContact CG-CD1 3.84Å; L37-L41 HydrophobicContact CG-CG 4.44Å; L37-L41 WeakPolarHBondContact O-CB 3.38Å; L37-L41 VanDerWaalsContact O-CG 3.25Å; L37-L41 WeakPolarHBondContact O-CG 3.46Å; L37-L41 PolarHBondContact O-N 2.74Å; F38-L41 PolarHBondContact O-N 2.95Å; L41-L103 HydrophobicContact CD1-CD2 4.38Å |
| 42 | F | 67.4 | Low | 68.9 | Low | 81 Ų | 81 | 65.4 Ų | 65.4 | 36% | 0.355 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -95.8 | -32.8 | -172.2 | -151 | -96.9 | 0 | 0 | 0 | 114.1 | F38 L39 Y40 S44 Y91 Y95 | F38-F42 HydrophobicContact CE2-CB 4.34Å; F38-F42 HydrophobicContact CE2-CG 4.45Å; F38-F42 WeakPolarHBondContact O-CB 3.44Å; F38-F42 PolarHBondContact O-N 3.32Å; L39-F42 PolarHBondContact O-N 2.91Å; Y40-F42 VanDerWaalsContact C-N 3.28Å; Y40-F42 PolarHBondContact O-N 3.29Å; F42-S44 PolarHBondContact O-N 2.81Å; F42-Y91 AromaticContact CD1-CE1 3.63Å; F42-Y91 HydrophobicContact CD1-CE1 3.63Å; F42-Y91 AromaticContact CD1-CZ 3.93Å; F42-Y91 AromaticContact CE1-CE1 3.74Å; F42-Y91 HydrophobicContact CE1-CE1 3.74Å; F42-Y95 WeakPolarHBondContact CD2-OH 3.34Å; F42-Y95 HydrophobicContact CE2-CE1 4.29Å; F42-Y95 AromaticContact CE2-CZ 3.85Å; F42-Y95 WeakPolarHBondContact CE2-OH 3.35Å; F42-Y95 HydrophobicContact CZ-CE1 4.26Å |
| 43 | I | 62.9 | Low | 66.9 | Low | 92 Ų | 92 | 70.3 Ų | 70.3 | 47% | 0.472 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64 | -32.5 | 166.4 | -65 | 167.6 | 0 | 0 | 0 | 109.3 | L39 M55 | L39-I43 HydrophobicContact CB-CD1 4.25Å; L39-I43 WeakPolarHBondContact O-CB 3.39Å; L39-I43 WeakPolarHBondContact O-CD1 3.26Å; L39-I43 WeakPolarHBondContact O-CG1 3.48Å; L39-I43 PolarHBondContact O-N 2.89Å; I43-M55 HydrophobicContact CG2-CE 4.35Å |
| 44 | S | 55.6 | Low | 64.9 | Low | 23 Ų | 23 | 72.2 Ų | 72.2 | 16% | 0.161 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 35.6 | -173 | -161.5 | 0 | 0 | 0 | 0 | 115.3 | Y40 F42 F46 S47 | Y40-S44 WeakPolarHBondContact O-CB 3.42Å; Y40-S44 PolarHBondContact O-N 2.68Å; Y40-S44 VanDerWaalsContact O-N 3.16Å; F42-S44 PolarHBondContact O-N 2.81Å; S44-F46 PolarHBondContact O-N 2.91Å; S44-S47 PolarHBondContact O-N 3.28Å; S44-S47 VanDerWaalsContact O-O 3.1Å; S44-S47 WeakPolarHBondContact OG-CA 3.46Å; S44-S47 WeakPolarHBondContact OG-CB 3.48Å; S44-S47 PolarHBondContact OG-N 2.86Å; S44-S47 PolarHBondContact OG-O 3.13Å |
| 45 | L | 49.6 | Very low | 62.7 | Low | 153 Ų | 153 | 75.6 Ų | 75.6 | 80% | 0.801 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 3.3 | 164 | -149.7 | 78.6 | 0 | 0 | 0 | 112.8 | ||
| 46 | F | 50.6 | Low | 60.6 | Low | 204 Ų | 204 | 80 Ų | 80 | 90% | 0.895 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | 9.3 | 167.2 | -100.2 | -81.9 | 0 | 0 | 0 | 115.9 | S44 | S44-F46 PolarHBondContact O-N 2.91Š|
| 47 | S | 46.5 | Very low | 58.9 | Low | 70 Ų | 70 | 84 Ų | 84 | 49% | 0.49 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -147.7 | 125.9 | 169.1 | -87.6 | 0 | 0 | 0 | 0 | 112.4 | S44 | S44-S47 PolarHBondContact O-N 3.28Å; S44-S47 VanDerWaalsContact O-O 3.1Å; S44-S47 WeakPolarHBondContact OG-CA 3.46Å; S44-S47 WeakPolarHBondContact OG-CB 3.48Å; S44-S47 PolarHBondContact OG-N 2.86Å; S44-S47 PolarHBondContact OG-O 3.13Å |
| 48 | S | 50.7 | Low | 57.4 | Low | 85 Ų | 85 | 84.5 Ų | 84.5 | 59% | 0.594 | 46% | 0.46 | S | S | * | . | trans | -41.3 | 171.8 | 171.3 | 62.6 | 0 | 0 | 0 | 0 | 114.2 | L50 G51 | S48-L50 PolarHBondContact O-N 3.42Å; S48-L50 VanDerWaalsContact OG-CB 3.29Å; S48-L50 WeakPolarHBondContact OG-CB 3.33Å; S48-G51 WeakPolarHBondContact O-CA 3.28Å; S48-G51 PolarHBondContact O-N 3.38Å | ||
| 49 | V | 56.3 | Low | 55.9 | Low | 121 Ų | 121 | 92 Ų | 92 | 73% | 0.733 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.1 | -28.9 | 170.7 | 177.4 | 0 | 0 | 0 | 0 | 113.1 | G51 M52 | V49-G51 VanDerWaalsContact C-N 3.3Å; V49-G51 PolarHBondContact O-N 3.19Å; V49-M52 WeakPolarHBondContact O-CB 3.24Å; V49-M52 PolarHBondContact O-N 3.37Å |
| 50 | L | 49.6 | Very low | 55.1 | Low | 105 Ų | 105 | 97.4 Ų | 97.4 | 55% | 0.55 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.2 | -33 | 173.8 | -151.3 | 73.3 | 0 | 0 | 0 | 113.8 | S48 M52 V53 F54 | S48-L50 PolarHBondContact O-N 3.42Å; S48-L50 VanDerWaalsContact OG-CB 3.29Å; S48-L50 WeakPolarHBondContact OG-CB 3.33Å; L50-M52 VanDerWaalsContact C-N 3.25Å; L50-M52 PolarHBondContact O-N 3.37Å; L50-V53 WeakPolarHBondContact O-CB 3.45Å; L50-V53 PolarHBondContact O-N 3.23Å; L50-F54 HydrophobicContact CD1-CE2 4.2Å; L50-F54 HydrophobicContact CD2-CD2 4.28Å; L50-F54 HydrophobicContact CD2-CE2 3.84Å; L50-F54 HydrophobicContact CG-CD2 3.85Å; L50-F54 HydrophobicContact CG-CE2 3.62Å; L50-F54 VanDerWaalsContact O-CD2 3.26Å; L50-F54 WeakPolarHBondContact O-CD2 3.48Å; L50-F54 PolarHBondContact O-N 2.89Å |
| 51 | G | 48.3 | Very low | 55.1 | Low | 11 Ų | 11 | 100 Ų | 100 | 11% | 0.113 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -60 | -30.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S48 V49 V53 F54 M55 | S48-G51 WeakPolarHBondContact O-CA 3.28Å; S48-G51 PolarHBondContact O-N 3.38Å; V49-G51 VanDerWaalsContact C-N 3.3Å; V49-G51 PolarHBondContact O-N 3.19Å; G51-V53 VanDerWaalsContact C-N 3.31Å; G51-V53 PolarHBondContact O-N 2.91Å; G51-F54 PolarHBondContact O-N 3.31Å; G51-M55 VanDerWaalsContact O-CB 3.27Å; G51-M55 WeakPolarHBondContact O-CB 3.45Å; G51-M55 WeakPolarHBondContact O-CG 3.39Å; G51-M55 PolarHBondContact O-N 3.43Å |
| 52 | M | 50 | Low | 55.4 | Low | 93 Ų | 93 | 95.6 Ų | 95.6 | 46% | 0.458 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.4 | -30.5 | 174.2 | -65.4 | 179.7 | 67.5 | 0 | 0 | 112.6 | L37 V49 L50 | L37-M52 HydrophobicContact CD1-CE 4.07Å; V49-M52 WeakPolarHBondContact O-CB 3.24Å; V49-M52 PolarHBondContact O-N 3.37Å; L50-M52 VanDerWaalsContact C-N 3.25Å; L50-M52 PolarHBondContact O-N 3.37Å |
| 53 | V | 53.2 | Low | 56.5 | Low | 114 Ų | 114 | 97.5 Ų | 97.5 | 69% | 0.691 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -76.7 | -31.5 | 177.2 | -177.9 | 0 | 0 | 0 | 0 | 111.3 | L50 G51 | L50-V53 WeakPolarHBondContact O-CB 3.45Å; L50-V53 PolarHBondContact O-N 3.23Å; G51-V53 VanDerWaalsContact C-N 3.31Å; G51-V53 PolarHBondContact O-N 2.91Å |
| 54 | F | 47.2 | Very low | 58 | Low | 157 Ų | 157 | 93.6 Ų | 93.6 | 69% | 0.689 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -99.3 | -3.8 | -177.4 | -71.6 | -65.6 | 0 | 0 | 0 | 114.7 | L50 G51 S56 | L50-F54 HydrophobicContact CD1-CE2 4.2Å; L50-F54 HydrophobicContact CD2-CD2 4.28Å; L50-F54 HydrophobicContact CD2-CE2 3.84Å; L50-F54 HydrophobicContact CG-CD2 3.85Å; L50-F54 HydrophobicContact CG-CE2 3.62Å; L50-F54 VanDerWaalsContact O-CD2 3.26Å; L50-F54 WeakPolarHBondContact O-CD2 3.48Å; L50-F54 PolarHBondContact O-N 2.89Å; G51-F54 PolarHBondContact O-N 3.31Å; F54-S56 PolarHBondContact O-N 3.45Å |
| 55 | M | 45.1 | Very low | 59.8 | Low | 70 Ų | 70 | 94.9 Ų | 94.9 | 35% | 0.345 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 130.3 | 178.2 | -91.3 | 176.5 | 108.1 | 0 | 0 | 110.7 | Y40 I43 G51 | Y40-M55 HydrophobicContact CD1-CE 3.88Å; Y40-M55 HydrophobicContact CD1-SD 3.37Å; Y40-M55 WeakPolarHBondContact CD1-SD 3.24Å; Y40-M55 HydrophobicContact CE1-CB 3.95Å; Y40-M55 HydrophobicContact CE1-CE 3.88Å; Y40-M55 HydrophobicContact CE1-CG 4.32Å; Y40-M55 HydrophobicContact CE1-SD 3.55Å; Y40-M55 VanDerWaalsContact CE1-SD 3.55Å; I43-M55 HydrophobicContact CG2-CE 4.35Å; G51-M55 VanDerWaalsContact O-CB 3.27Å; G51-M55 WeakPolarHBondContact O-CB 3.45Å; G51-M55 WeakPolarHBondContact O-CG 3.39Å; G51-M55 PolarHBondContact O-N 3.43Å |
| 56 | S | 48.3 | Very low | 62 | Low | 98 Ų | 98 | 88.2 Ų | 88.2 | 69% | 0.685 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -51.2 | 143.9 | 158.8 | -63.5 | 0 | 0 | 0 | 0 | 108.7 | F54 L58 | F54-S56 PolarHBondContact O-N 3.45Å; S56-L58 PolarHBondContact O-N 3.41Å |
| 57 | P | 52.2 | Low | 64.2 | Low | 103 Ų | 103 | 78.6 Ų | 78.6 | 67% | 0.669 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -47.3 | 143.5 | 169.4 | -22.3 | 31.3 | 0 | 0 | 0 | 109.3 | D59 | P57-D59 PolarHBondContact O-N 3.37Å; P57-D59 VanDerWaalsContact O-N 3.16Å |
| 58 | L | 53.6 | Low | 66.6 | Low | 42 Ų | 42 | 75.5 Ų | 75.5 | 22% | 0.22 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -47.9 | 129.2 | 162.5 | -74.5 | 163.5 | 0 | 0 | 0 | 107.3 | V36 L39 Y40 S56 K60 E61 | V36-L58 HydrophobicContact CG1-CD1 4.48Å; V36-L58 HydrophobicContact CG2-CD1 4.38Å; L39-L58 HydrophobicContact CD1-CD1 4.41Å; Y40-L58 HydrophobicContact CE2-CD1 4.29Å; Y40-L58 HydrophobicContact CE2-CG 4.47Å; Y40-L58 PolarHBondContact OH-N 2.87Å; S56-L58 PolarHBondContact O-N 3.41Å; L58-K60 PolarHBondContact O-N 3.02Å; L58-E61 HydrophobicContact CB-CG 4.44Å |
| 59 | D | 54.3 | Low | 68.7 | Low | 167 Ų | 167 | 77.5 Ų | 77.5 | 89% | 0.893 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -52.2 | -30.3 | 177.4 | -78.7 | -26.4 | 0 | 0 | 0 | 110.9 | P57 | P57-D59 PolarHBondContact O-N 3.37Å; P57-D59 VanDerWaalsContact O-N 3.16Å |
| 60 | K | 66 | Low | 70.6 | Confident | 125 Ų | 125 | 72.2 Ų | 72.2 | 54% | 0.543 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -143.8 | 114.6 | 167.8 | -58.1 | 174.9 | -157.7 | 143.2 | 0 | 110 | L58 E86 | L58-K60 PolarHBondContact O-N 3.02Å; K60-E86 IonicContact NZ-OE1 2.66Å; K60-E86 PolarHBondContact NZ-OE1 3.15Å |
| 61 | E | 76.1 | Confident | 72.7 | Confident | 89 Ų | 89 | 68 Ų | 68 | 42% | 0.416 | 34% | 0.343 | S | S | . | . | trans | -62.5 | 143 | 166.8 | -65.7 | 177 | 156.7 | 0 | 0 | 110.6 | V36 L58 R63 | V36-E61 HydrophobicContact CG2-CB 4.46Å; V36-E61 HydrophobicContact CG2-CG 4.5Å; L58-E61 HydrophobicContact CB-CG 4.44Å; E61-R63 PolarHBondContact O-N 3.06Å; E61-R63 IonicContact OE2-CZ 3.38Å; E61-R63 IonicContact OE2-NH2 3.55Å; E61-R63 PolarHBondContact OE2-NH2 2.77Å | ||
| 62 | P | 81.2 | Confident | 75 | Confident | 4 Ų | 4 | 70.9 Ų | 70.9 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | trans | -61.7 | 123.1 | 173.8 | 26 | -33.3 | 0 | 0 | 0 | 110 | L35 V36 L39 F83 V85 | L35-P62 HydrophobicContact CB-CG 3.91Å; L35-P62 HydrophobicContact CD1-CB 4.31Å; L35-P62 HydrophobicContact CD1-CG 4.47Å; V36-P62 HydrophobicContact CG2-CG 3.97Å; L39-P62 HydrophobicContact CD1-CG 4.05Å; P62-F83 HydrophobicContact CB-CD2 4.15Å; P62-V85 HydrophobicContact CB-CG1 4.09Å | ||
| 63 | R | 89.5 | Confident | 77.2 | Confident | 122 Ų | 122 | 66.8 Ų | 66.8 | 46% | 0.46 | 34% | 0.343 | S | S | . | . | trans | -107.3 | 127.1 | 174.5 | -65.4 | -63.3 | 176.4 | 176.2 | -4.9 | 110.6 | E32 E61 | E32-R63 WeakPolarHBondContact OE1-CA 3.08Å; E32-R63 IonicContact OE2-CZ 2.73Å; E32-R63 IonicContact OE2-NE 2.84Å; E32-R63 IonicContact OE2-NH1 3.73Å; E32-R63 PolarHBondContact OE2-NH1 2.96Å; E61-R63 PolarHBondContact O-N 3.06Å; E61-R63 IonicContact OE2-CZ 3.38Å; E61-R63 IonicContact OE2-NH2 3.55Å; E61-R63 PolarHBondContact OE2-NH2 2.77Å | ||
| 64 | L | 93.4 | Very high | 79.4 | Confident | 9 Ų | 9 | 61.5 Ų | 61.5 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | trans | -79.4 | 127.6 | 177.5 | -91.2 | 83.8 | 0 | 0 | 0 | 110.6 | Q28 L31 E32 L35 I66 A81 T82 F83 | Q28-L64 HydrophobicContact CG-CB 4.17Å; Q28-L64 PolarHBondContact NE2-O 3.12Å; L31-L64 HydrophobicContact CB-CD1 4.31Å; L31-L64 HydrophobicContact CB-CD2 3.84Å; L31-L64 HydrophobicContact CD1-CD2 3.74Å; L31-L64 HydrophobicContact CG-CD2 4.44Å; E32-L64 HydrophobicContact CB-CD1 4.45Å; E32-L64 HydrophobicContact CG-CB 4.36Å; E32-L64 HydrophobicContact CG-CD1 3.49Å; E32-L64 VanDerWaalsContact CG-CD1 3.49Å; E32-L64 PolarHBondContact OE1-N 3.29Å; L35-L64 HydrophobicContact CD1-CD1 3.5Å; L35-L64 VanDerWaalsContact CD1-CD1 3.5Å; L64-I66 HydrophobicContact CB-CG1 4.29Å; L64-I66 HydrophobicContact CD2-CG1 4.49Å; L64-A81 HydrophobicContact CB-CB 4.32Å; L64-A81 HydrophobicContact CD2-CB 3.68Å; L64-A81 HydrophobicContact CG-CB 4.11Å; L64-T82 CarbonylContact C-O 3.55Å; L64-T82 WeakPolarHBondContact CA-O 3.17Å; L64-F83 HydrophobicContact CD1-CB 4.46Å; L64-F83 HydrophobicContact CG-CB 4.42Å | ||
| 65 | R | 94.6 | Very high | 81.8 | Confident | 51 Ų | 51 | 54 Ų | 54 | 19% | 0.192 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 91.8 | 163.4 | -62.4 | -171.1 | -172 | 85.2 | 5.8 | 109.1 | R3 A81 T82 D84 E324 | R3-R65 VanDerWaalsContact NH2-NH1 3.18Å; R65-A81 CarbonylContact O-C 3.53Å; R65-A81 WeakPolarHBondContact O-CA 3.26Å; R65-T82 PolarHBondContact N-O 3.37Å; R65-T82 PolarHBondContact O-N 2.86Å; R65-D84 IonicContact CZ-OD2 3.65Å; R65-D84 IonicContact NH1-OD2 3.69Å; R65-D84 PolarHBondContact NH1-OD2 2.8Å; R65-D84 IonicContact NH2-OD2 3.98Å; R65-E324 IonicContact CZ-OE2 3.69Å; R65-E324 IonicContact NE-OE2 3.67Å; R65-E324 PolarHBondContact NE-OE2 3.35Å; R65-E324 IonicContact NH2-OE2 3.2Å |
| 66 | I | 96.4 | Very high | 84.4 | Confident | 13 Ų | 13 | 50.8 Ų | 50.8 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 138.4 | -179.7 | -67.6 | 157.4 | 0 | 0 | 0 | 111.1 | F8 Q28 L64 S68 A81 | F8-I66 HydrophobicContact CZ-CG1 4.38Å; Q28-I66 HydrophobicContact CB-CD1 3.49Å; Q28-I66 VanDerWaalsContact CB-CD1 3.49Å; Q28-I66 HydrophobicContact CG-CD1 3.72Å; L64-I66 HydrophobicContact CB-CG1 4.29Å; L64-I66 HydrophobicContact CD2-CG1 4.49Å; I66-S68 VanDerWaalsContact CG2-O 3.3Å; I66-S68 WeakPolarHBondContact CG2-O 3.24Å; I66-A81 HydrophobicContact CG1-CB 3.94Å |
| 67 | S | 96.9 | Very high | 86.8 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.014 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -69.7 | -47.8 | -179.6 | 177.8 | 0 | 0 | 0 | 0 | 113.6 | T80 A125 R132 I305 Y307 | S67-T80 WeakPolarHBondContact CB-O 3.4Å; S67-T80 WeakPolarHBondContact CB-OG1 3.15Å; S67-T80 PolarHBondContact N-O 2.97Å; S67-A125 VanDerWaalsContact CB-O 3.28Å; S67-A125 WeakPolarHBondContact CB-O 3.33Å; S67-A125 PolarHBondContact OG-O 3.1Å; S67-R132 PolarHBondContact O-NH2 3.36Å; S67-R132 PolarHBondContact OG-NH2 3.31Å; S67-I305 WeakPolarHBondContact OG-CD1 3.44Å; S67-Y307 WeakPolarHBondContact CB-OH 3.48Å; S67-Y307 PolarHBondContact OG-OH 3.02Å; S67-Y307 VanDerWaalsContact OG-OH 3.04Å |
| 68 | S | 96.1 | Very high | 89 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -125.5 | 113.7 | -178 | -61.7 | 0 | 0 | 0 | 0 | 109.4 | I66 N79 R132 L302 I305 | I66-S68 VanDerWaalsContact CG2-O 3.3Å; I66-S68 WeakPolarHBondContact CG2-O 3.24Å; S68-N79 PolarHBondContact N-OD1 3.34Å; S68-N79 PolarHBondContact O-ND2 3.09Å; S68-R132 VanDerWaalsContact OG-CD 3.32Å; S68-R132 WeakPolarHBondContact OG-CD 3.2Å; S68-R132 PolarHBondContact OG-NE 3.23Å; S68-L302 VanDerWaalsContact CB-CD2 3.49Å; S68-I305 WeakPolarHBondContact OG-CD1 3.42Å |
| 69 | R | 93.9 | Very high | 91.1 | Very high | 127 Ų | 127 | 44.7 Ų | 44.7 | 48% | 0.479 | 22% | 0.215 | S | C | . | . | trans | -73 | 131.6 | 168.3 | -62.6 | 173.1 | 179.1 | -178.4 | 0.5 | 107.6 | Q19 | Q19-R69 HydrophobicContact CB-CG 4.49Å; Q19-R69 VanDerWaalsContact OE1-CZ 3.29Å | ||
| 70 | T | 96.1 | Very high | 93.2 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 7% | 0.067 | 17% | 0.173 | C | C | . | . | trans | -117.9 | 149.4 | 175.8 | 63.3 | 0 | 0 | 0 | 0 | 109.8 | Y10 G17 C18 V74 L302 | Y10-T70 WeakPolarHBondContact OH-CB 3.23Å; Y10-T70 WeakPolarHBondContact OH-CG2 3.45Å; Y10-T70 PolarHBondContact OH-OG1 2.77Å; G17-T70 WeakPolarHBondContact CA-O 3.47Å; C18-T70 WeakPolarHBondContact CB-OG1 3.45Å; C18-T70 PolarHBondContact N-O 2.94Å; C18-T70 VanDerWaalsContact N-O 3.13Å; T70-V74 HydrophobicContact CG2-CG1 4Å; T70-L302 HydrophobicContact CG2-CB 4.41Å | ||
| 71 | D | 93.8 | Very high | 94.8 | Very high | 17 Ų | 17 | 30.8 Ų | 30.8 | 9% | 0.091 | 15% | 0.147 | C | C | . | . | trans | -69.1 | 164.8 | 178.9 | -40.3 | -29.4 | 0 | 0 | 0 | 111.1 | G73 V74 Y252 N253 R256 | D71-G73 PolarHBondContact O-N 2.96Å; D71-V74 HydrophobicContact CB-CG2 3.91Å; D71-V74 WeakPolarHBondContact O-CB 3.3Å; D71-V74 PolarHBondContact O-N 3.2Å; D71-V74 VanDerWaalsContact O-N 3.09Å; D71-Y252 HydrophobicContact CB-CE2 4.35Å; D71-Y252 WeakPolarHBondContact OD1-CD2 3.36Å; D71-Y252 WeakPolarHBondContact OD1-CE2 3.38Å; D71-N253 PolarHBondContact OD2-OD1 3.38Å; D71-R256 WeakPolarHBondContact OD2-CD 3.25Å; D71-R256 IonicContact OD2-NH1 2.69Å; D71-R256 PolarHBondContact OD2-NH1 3.3Å | ||
| 72 | S | 96.2 | Very high | 95.7 | Very high | 70 Ų | 70 | 26.6 Ų | 26.6 | 49% | 0.49 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 131.9 | 171.2 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | F15 V74 S297 | F15-S72 PolarHBondContact O-OG 2.96Å; S72-V74 VanDerWaalsContact C-N 3.29Å; S72-V74 PolarHBondContact O-N 3.35Å; S72-S297 WeakPolarHBondContact O-CB 3.15Å; S72-S297 PolarHBondContact O-OG 3.46Å |
| 73 | G | 97.2 | Very high | 96.4 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 8% | 0.082 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | -6.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | G12 F15 D71 | G12-G73 VanDerWaalsContact O-CA 3.31Å; G12-G73 WeakPolarHBondContact O-CA 3.29Å; F15-G73 PolarHBondContact O-N 3.15Å; D71-G73 PolarHBondContact O-N 2.96Å |
| 74 | V | 98.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | trans | -79.1 | 134.5 | -179.7 | 173 | 0 | 0 | 0 | 0 | 110.1 | Y10 G12 T70 D71 S72 L300 | Y10-V74 VanDerWaalsContact CE2-O 3.25Å; Y10-V74 WeakPolarHBondContact CE2-O 3.36Å; G12-V74 WeakPolarHBondContact CA-O 3.33Å; T70-V74 HydrophobicContact CG2-CG1 4Å; D71-V74 HydrophobicContact CB-CG2 3.91Å; D71-V74 WeakPolarHBondContact O-CB 3.3Å; D71-V74 PolarHBondContact O-N 3.2Å; D71-V74 VanDerWaalsContact O-N 3.09Å; S72-V74 VanDerWaalsContact C-N 3.29Å; S72-V74 PolarHBondContact O-N 3.35Å; V74-L300 HydrophobicContact CG1-CB 4.17Å; V74-L300 HydrophobicContact CG1-CD2 3.93Å; V74-L300 HydrophobicContact CG1-CG 3.88Å; V74-L300 HydrophobicContact CG2-CB 4.36Å; V74-L300 HydrophobicContact CG2-CD2 3.99Å | ||
| 75 | H | 98.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 167.4 | -178.7 | -50.4 | -88.8 | 0 | 0 | 0 | 112.1 | L11 G12 S13 Q166 A298 L300 F301 L302 | L11-H75 WeakPolarHBondContact CA-ND1 3.47Å; G12-H75 PolarHBondContact N-ND1 3.07Å; S13-H75 PolarHBondContact OG-CE1 3.27Å; H75-Q166 PolarHBondContact CE1-O 2.88Å; H75-Q166 VanDerWaalsContact CE1-O 3.23Å; H75-Q166 PolarHBondContact NE2-O 2.88Å; H75-A298 PolarHBondContact CD2-O 3.48Å; H75-A298 PolarHBondContact NE2-O 2.89Å; H75-L300 PolarHBondContact N-O 2.91Å; H75-F301 HydrophobicContact CB-CD1 3.33Å; H75-F301 HydrophobicContact CB-CE1 3.44Å; H75-F301 VanDerWaalsContact CB-CE1 3.44Å; H75-F301 HydrophobicContact CB-CG 3.97Å; H75-F301 HydrophobicContact CB-CZ 4.16Å; H75-F301 AromaticContact CD2-CE1 3.78Å; H75-F301 AromaticContact CD2-CE2 3.99Å; H75-F301 AromaticContact CD2-CZ 3.59Å; H75-F301 AromaticContact CG-CD1 3.97Å; H75-F301 AromaticContact CG-CE1 3.55Å; H75-F301 AromaticContact CG-CZ 3.86Å; H75-F301 CarbonylContact O-C 3.59Å; H75-F301 WeakPolarHBondContact O-CA 3.48Å; H75-L302 PolarHBondContact O-N 3.31Å |
| 76 | A | 98.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 2% | 0.017 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 127.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S9 Y10 N79 L302 | S9-A76 CarbonylContact C-O 3.58Å; S9-A76 WeakPolarHBondContact CA-O 3.25Å; S9-A76 VanDerWaalsContact CB-O 3.27Å; S9-A76 WeakPolarHBondContact CB-O 3.34Å; Y10-A76 HydrophobicContact CD1-CB 3.76Å; Y10-A76 HydrophobicContact CE1-CB 3.26Å; Y10-A76 HydrophobicContact CE2-CB 4.24Å; Y10-A76 HydrophobicContact CG-CB 4.42Å; Y10-A76 PolarHBondContact N-O 2.84Å; Y10-A76 PolarHBondContact O-N 3.47Å; A76-N79 HydrophobicContact CB-CB 4.01Å; A76-L302 CarbonylContact C-O 3.6Å; A76-L302 WeakPolarHBondContact CA-O 3.49Å; A76-L302 HydrophobicContact CB-CB 3.93Å; A76-L302 HydrophobicContact CB-CD2 4.36Å |
| 77 | L | 98.7 | Very high | 95.2 | Very high | 84 Ų | 84 | 25.8 Ų | 25.8 | 44% | 0.44 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | -30.3 | 166.4 | -56.8 | 178.1 | 0 | 0 | 0 | 110.9 | S9 L114 F301 L302 K303 | S9-L77 VanDerWaalsContact CB-O 3.31Å; S9-L77 WeakPolarHBondContact CB-O 3.47Å; L77-L114 WeakPolarHBondContact O-CD1 3.5Å; L77-F301 HydrophobicContact CD2-CD1 3.95Å; L77-F301 HydrophobicContact CG-CB 4.34Å; L77-F301 HydrophobicContact CG-CD1 4.08Å; L77-L302 PolarHBondContact N-O 2.77Å; L77-K303 HydrophobicContact CD1-CG 4.19Å |
| 78 | M | 98.5 | Very high | 94.4 | Very high | 31 Ų | 31 | 35.6 Ų | 35.6 | 15% | 0.153 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 106.2 | 172.5 | -176.2 | -91.8 | -171.2 | 0 | 0 | 109.6 | T80 L114 L302 N304 I305 | M78-T80 HydrophobicContact CE-CG2 3.26Å; M78-T80 HydrophobicContact SD-CG2 3.86Å; M78-L114 HydrophobicContact CB-CD1 4.24Å; M78-L114 HydrophobicContact CG-CD1 4.28Å; M78-L302 PolarHBondContact N-O 2.87Å; M78-L302 WeakPolarHBondContact O-CG 3.4Å; M78-N304 PolarHBondContact SD-OD1 3.01Å; M78-I305 HydrophobicContact SD-CB 4.12Å; M78-I305 HydrophobicContact SD-CG1 4.23Å; M78-I305 PolarHBondContact SD-N 2.93Å; M78-I305 VanDerWaalsContact SD-N 3.39Å |
| 79 | N | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 169.6 | 162.6 | -157 | -4.3 | 0 | 0 | 0 | 108.8 | S7 F8 Y10 S68 A76 L302 | S7-N79 CarbonylContact C-O 3.57Å; S7-N79 WeakPolarHBondContact CA-O 3.47Å; F8-N79 HydrophobicContact CD2-CB 4.28Å; F8-N79 HydrophobicContact CE1-CB 4.27Å; F8-N79 HydrophobicContact CE2-CB 3.78Å; F8-N79 HydrophobicContact CZ-CB 3.77Å; F8-N79 PolarHBondContact N-O 3.39Å; F8-N79 PolarHBondContact O-N 3.23Å; Y10-N79 HydrophobicContact CE1-CB 4.16Å; S68-N79 PolarHBondContact N-OD1 3.34Å; S68-N79 PolarHBondContact O-ND2 3.09Å; A76-N79 HydrophobicContact CB-CB 4.01Å; N79-L302 HydrophobicContact CB-CD2 3.65Å; N79-L302 VanDerWaalsContact CG-CD2 3.4Å; N79-L302 WeakPolarHBondContact OD1-CD2 3.49Å |
| 80 | T | 98.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 157 | -179.6 | 62.2 | 0 | 0 | 0 | 0 | 111.7 | F5 L6 S67 M78 I305 Y307 | F5-T80 HydrophobicContact CE1-CG2 4.25Å; F5-T80 HydrophobicContact CE2-CG2 3.92Å; F5-T80 HydrophobicContact CZ-CG2 3.45Å; F5-T80 VanDerWaalsContact CZ-CG2 3.45Å; L6-T80 CarbonylContact O-C 3.57Å; L6-T80 WeakPolarHBondContact O-CA 3.38Å; L6-T80 WeakPolarHBondContact O-CB 3.47Å; S67-T80 WeakPolarHBondContact CB-O 3.4Å; S67-T80 WeakPolarHBondContact CB-OG1 3.15Å; S67-T80 PolarHBondContact N-O 2.97Å; M78-T80 HydrophobicContact CE-CG2 3.26Å; M78-T80 HydrophobicContact SD-CG2 3.86Å; T80-I305 HydrophobicContact CG2-CD1 4.36Å; T80-Y307 HydrophobicContact CG2-CE2 3.95Å; T80-Y307 PolarHBondContact OG1-OH 3.44Å |
| 81 | A | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 156.9 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | F5 L6 F8 L64 R65 I66 | F5-A81 CarbonylContact C-O 3.51Å; F5-A81 WeakPolarHBondContact CA-O 3.33Å; L6-A81 PolarHBondContact N-O 2.99Å; L6-A81 PolarHBondContact O-N 2.87Å; F8-A81 HydrophobicContact CE1-CB 3.79Å; L64-A81 HydrophobicContact CB-CB 4.32Å; L64-A81 HydrophobicContact CD2-CB 3.68Å; L64-A81 HydrophobicContact CG-CB 4.11Å; R65-A81 CarbonylContact O-C 3.53Å; R65-A81 WeakPolarHBondContact O-CA 3.26Å; I66-A81 HydrophobicContact CG1-CB 3.94Å |
| 82 | T | 96.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 152.7 | 161.7 | 49.8 | 0 | 0 | 0 | 0 | 111.2 | R3 Y4 F5 L64 R65 V119 F123 A125 | R3-T82 HydrophobicContact CG-CG2 4.21Å; Y4-T82 CarbonylContact O-C 3.59Å; Y4-T82 WeakPolarHBondContact O-CA 3.42Å; F5-T82 HydrophobicContact CB-CG2 4.23Å; F5-T82 HydrophobicContact CD2-CG2 4.08Å; L64-T82 CarbonylContact C-O 3.55Å; L64-T82 WeakPolarHBondContact CA-O 3.17Å; R65-T82 PolarHBondContact N-O 3.37Å; R65-T82 PolarHBondContact O-N 2.86Å; T82-V119 HydrophobicContact CG2-CG2 4.27Å; T82-F123 HydrophobicContact CG2-CD1 3.76Å; T82-F123 HydrophobicContact CG2-CE1 4.04Å; T82-A125 HydrophobicContact CG2-CB 4.16Å |
| 83 | F | 94.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 153.5 | 168.6 | 67.8 | -81.9 | 0 | 0 | 0 | 109.7 | R3 Y4 L6 L35 P62 L64 V85 L96 | R3-F83 WeakPolarHBondContact CA-O 3.38Å; Y4-F83 VanDerWaalsContact CB-CE1 3.48Å; Y4-F83 HydrophobicContact CD2-CE2 4.02Å; Y4-F83 AromaticContact CD2-CZ 3.99Å; Y4-F83 HydrophobicContact CD2-CZ 3.99Å; Y4-F83 HydrophobicContact CG-CE1 4.38Å; Y4-F83 HydrophobicContact CG-CE2 4.46Å; Y4-F83 AromaticContact CG-CZ 3.98Å; Y4-F83 HydrophobicContact CG-CZ 3.98Å; Y4-F83 PolarHBondContact N-O 3.18Å; Y4-F83 PolarHBondContact O-N 2.81Å; L6-F83 HydrophobicContact CD1-CD1 3.94Å; L6-F83 HydrophobicContact CD1-CE1 3.57Å; L6-F83 HydrophobicContact CD2-CE1 4.01Å; L6-F83 HydrophobicContact CG-CD1 4.13Å; L6-F83 HydrophobicContact CG-CE1 3.65Å; L35-F83 HydrophobicContact CD1-CD1 4.04Å; L35-F83 HydrophobicContact CD1-CD2 3.81Å; L35-F83 HydrophobicContact CD1-CE1 4.12Å; L35-F83 HydrophobicContact CD1-CE2 3.9Å; L35-F83 HydrophobicContact CD1-CG 3.88Å; L35-F83 HydrophobicContact CD1-CZ 4.04Å; L35-F83 HydrophobicContact CD2-CE1 4.22Å; L35-F83 HydrophobicContact CD2-CE2 3.85Å; L35-F83 HydrophobicContact CD2-CZ 3.63Å; P62-F83 HydrophobicContact CB-CD2 4.15Å; L64-F83 HydrophobicContact CD1-CB 4.46Å; L64-F83 HydrophobicContact CG-CB 4.42Å; F83-V85 HydrophobicContact CD2-CG1 3.8Å; F83-V85 HydrophobicContact CE2-CG1 3.74Å; F83-V85 HydrophobicContact CE2-CG2 4.37Å; F83-L96 HydrophobicContact CZ-CD2 3.83Å |
| 84 | D | 92.1 | Very high | 93.2 | Very high | 25 Ų | 25 | 46.7 Ų | 46.7 | 13% | 0.134 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 138.1 | -178.7 | -59.1 | -44.6 | 0 | 0 | 0 | 109.3 | M1 F2 R3 R65 I321 | M1-D84 HydrophobicContact CG-CB 4.38Å; M1-D84 HydrophobicContact SD-CB 4.24Å; F2-D84 WeakPolarHBondContact O-CA 3.41Å; R3-D84 VanDerWaalsContact CB-OD1 3.28Å; R3-D84 WeakPolarHBondContact CB-OD1 3.21Å; R3-D84 WeakPolarHBondContact CG-OD1 3.41Å; R3-D84 IonicContact CZ-OD1 2.86Å; R3-D84 IonicContact CZ-OD2 2.78Å; R3-D84 IonicContact NE-OD1 3.17Å; R3-D84 PolarHBondContact NE-OD1 3.45Å; R3-D84 IonicContact NE-OD2 3.38Å; R3-D84 IonicContact NH2-OD1 3.87Å; R3-D84 PolarHBondContact NH2-OD1 3.42Å; R3-D84 VanDerWaalsContact NH2-OD1 3.14Å; R3-D84 IonicContact NH2-OD2 3.95Å; R3-D84 PolarHBondContact NH2-OD2 3.28Å; R65-D84 IonicContact CZ-OD2 3.65Å; R65-D84 IonicContact NH1-OD2 3.69Å; R65-D84 PolarHBondContact NH1-OD2 2.8Å; R65-D84 IonicContact NH2-OD2 3.98Å; D84-I321 HydrophobicContact CB-CD1 4.29Å; D84-I321 WeakPolarHBondContact OD2-CD1 3.25Å; D84-I321 WeakPolarHBondContact OD2-CG1 3.34Å |
| 85 | V | 88.7 | Confident | 93 | Very high | 11 Ų | 11 | 51.2 Ų | 51.2 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 136.6 | 174.6 | -73.1 | 0 | 0 | 0 | 0 | 110.6 | M1 F2 Y4 L39 P62 F83 L87 | M1-V85 WeakPolarHBondContact CA-O 3.32Å; F2-V85 PolarHBondContact N-O 3.3Å; F2-V85 PolarHBondContact O-N 3.09Å; Y4-V85 HydrophobicContact CD2-CG2 3.75Å; Y4-V85 HydrophobicContact CE2-CG2 3.53Å; L39-V85 HydrophobicContact CD1-CG1 4.1Å; P62-V85 HydrophobicContact CB-CG1 4.09Å; F83-V85 HydrophobicContact CD2-CG1 3.8Å; F83-V85 HydrophobicContact CE2-CG1 3.74Å; F83-V85 HydrophobicContact CE2-CG2 4.37Å; V85-L87 HydrophobicContact CB-CD1 4.19Å; V85-L87 HydrophobicContact CB-CD2 4.43Å; V85-L87 HydrophobicContact CB-CG 3.99Å; V85-L87 HydrophobicContact CG2-CD1 3.5Å; V85-L87 HydrophobicContact CG2-CG 3.83Å |
| 86 | E | 85.7 | Confident | 92.7 | Very high | 117 Ų | 117 | 51.4 Ų | 51.4 | 55% | 0.547 | 24% | 0.244 | S | C | . | . | trans | -91.3 | 107.9 | 171.1 | -66.7 | -179.9 | -158.2 | 0 | 0 | 107.3 | M1 K60 | M1-E86 HydrophobicContact CB-CG 4.39Å; M1-E86 HydrophobicContact CE-CG 3.81Å; M1-E86 WeakPolarHBondContact CE-OE1 2.95Å; M1-E86 HydrophobicContact CG-CG 4.47Å; K60-E86 IonicContact NZ-OE1 2.66Å; K60-E86 PolarHBondContact NZ-OE1 3.15Å | ||
| 87 | L | 82.9 | Confident | 92.6 | Very high | 27 Ų | 27 | 54 Ų | 54 | 14% | 0.141 | 26% | 0.255 | C | S | . | . | trans | -130.8 | 148.4 | -177.1 | -58.8 | 171.1 | 0 | 0 | 0 | 109.2 | F2 Y4 L39 V85 K89 Y91 | F2-L87 HydrophobicContact CD2-CB 4.15Å; F2-L87 HydrophobicContact CE2-CB 4.33Å; Y4-L87 HydrophobicContact CE2-CD1 4.44Å; L39-L87 HydrophobicContact CD2-CD2 3.76Å; V85-L87 HydrophobicContact CB-CD1 4.19Å; V85-L87 HydrophobicContact CB-CD2 4.43Å; V85-L87 HydrophobicContact CB-CG 3.99Å; V85-L87 HydrophobicContact CG2-CD1 3.5Å; V85-L87 HydrophobicContact CG2-CG 3.83Å; L87-K89 VanDerWaalsContact C-N 3.27Å; L87-K89 VanDerWaalsContact CB-O 3.27Å; L87-K89 WeakPolarHBondContact CB-O 3.37Å; L87-K89 PolarHBondContact O-N 3.3Å; L87-Y91 HydrophobicContact CD1-CD2 3.28Å; L87-Y91 HydrophobicContact CD1-CE2 3.38Å; L87-Y91 HydrophobicContact CD1-CG 4.33Å; L87-Y91 HydrophobicContact CD2-CD2 4.41Å; L87-Y91 HydrophobicContact CD2-CE2 3.63Å; L87-Y91 HydrophobicContact CG-CD2 4.44Å; L87-Y91 HydrophobicContact CG-CE2 4.11Å | ||
| 88 | E | 80.5 | Confident | 92.5 | Very high | 208 Ų | 208 | 52.5 Ų | 52.5 | 97% | 0.972 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -63.9 | -35.5 | 172.6 | -64.6 | -175.9 | 165.5 | 0 | 0 | 112 | ||
| 89 | K | 84.6 | Confident | 92.2 | Very high | 139 Ų | 139 | 51.9 Ų | 51.9 | 60% | 0.604 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -136.6 | 149.9 | 177 | 66.6 | 179.4 | -179.8 | -177.8 | 0 | 110.8 | L87 Y91 | L87-K89 VanDerWaalsContact C-N 3.27Å; L87-K89 VanDerWaalsContact CB-O 3.27Å; L87-K89 WeakPolarHBondContact CB-O 3.37Å; L87-K89 PolarHBondContact O-N 3.3Å; K89-Y91 PolarHBondContact O-N 2.86Å |
| 90 | E | 88.4 | Confident | 92.1 | Very high | 92 Ų | 92 | 51.9 Ų | 51.9 | 43% | 0.43 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -66 | 130.7 | 172.3 | -162.2 | 176.2 | 157.2 | 0 | 0 | 110 | F2 Y4 T118 | F2-E90 HydrophobicContact CD1-CB 3.97Å; F2-E90 HydrophobicContact CD1-CG 3.73Å; F2-E90 HydrophobicContact CD2-CB 4.44Å; F2-E90 HydrophobicContact CE1-CB 3.65Å; F2-E90 HydrophobicContact CE1-CG 3.91Å; F2-E90 HydrophobicContact CE2-CB 4.15Å; F2-E90 HydrophobicContact CG-CB 4.36Å; F2-E90 HydrophobicContact CG-CG 4.12Å; F2-E90 HydrophobicContact CZ-CB 3.75Å; F2-E90 HydrophobicContact CZ-CG 4.44Å; Y4-E90 WeakPolarHBondContact OH-CG 3.33Å; E90-T118 WeakPolarHBondContact OE1-CB 3.48Å; E90-T118 VanDerWaalsContact OE1-CG2 3.25Å; E90-T118 WeakPolarHBondContact OE1-CG2 3.39Å; E90-T118 PolarHBondContact OE1-OG1 2.83Å |
| 91 | Y | 88.2 | Confident | 92 | Very high | 25 Ų | 25 | 53.3 Ų | 53.3 | 10% | 0.098 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 140.5 | 166.1 | -67.4 | -62.1 | 0 | 0 | 0 | 110.2 | Y4 F38 L39 F42 L87 K89 Y95 | Y4-Y91 PolarHBondContact OH-N 3.14Å; Y4-Y91 PolarHBondContact OH-O 3.44Å; F38-Y91 AromaticContact CE1-CD2 3.97Å; F38-Y91 HydrophobicContact CE1-CD2 3.97Å; F38-Y91 AromaticContact CE1-CE2 3.82Å; F38-Y91 HydrophobicContact CE1-CE2 3.82Å; F38-Y91 HydrophobicContact CZ-CD1 4.46Å; F38-Y91 HydrophobicContact CZ-CD2 4.24Å; F38-Y91 HydrophobicContact CZ-CE1 4.41Å; F38-Y91 HydrophobicContact CZ-CE2 4.17Å; F38-Y91 HydrophobicContact CZ-CG 4.41Å; L39-Y91 HydrophobicContact CD2-CE2 4.23Å; F42-Y91 AromaticContact CD1-CE1 3.63Å; F42-Y91 HydrophobicContact CD1-CE1 3.63Å; F42-Y91 AromaticContact CD1-CZ 3.93Å; F42-Y91 AromaticContact CE1-CE1 3.74Å; F42-Y91 HydrophobicContact CE1-CE1 3.74Å; L87-Y91 HydrophobicContact CD1-CD2 3.28Å; L87-Y91 HydrophobicContact CD1-CE2 3.38Å; L87-Y91 HydrophobicContact CD1-CG 4.33Å; L87-Y91 HydrophobicContact CD2-CD2 4.41Å; L87-Y91 HydrophobicContact CD2-CE2 3.63Å; L87-Y91 HydrophobicContact CG-CD2 4.44Å; L87-Y91 HydrophobicContact CG-CE2 4.11Å; K89-Y91 PolarHBondContact O-N 2.86Å; Y91-Y95 HydrophobicContact CD1-CD1 4.5Å |
| 92 | E | 94.1 | Very high | 91.9 | Very high | 97 Ų | 97 | 56.7 Ų | 56.7 | 45% | 0.453 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 130 | 170.8 | -168.5 | -78.3 | 136.4 | 0 | 0 | 109.4 | N94 Y95 L96 | E92-N94 PolarHBondContact O-N 2.92Å; E92-N94 VanDerWaalsContact OE1-CB 3.31Å; E92-N94 WeakPolarHBondContact OE1-CB 3.31Å; E92-N94 PolarHBondContact OE1-N 2.93Å; E92-N94 PolarHBondContact OE1-ND2 2.79Å; E92-N94 WeakPolarHBondContact OE2-CA 3.41Å; E92-N94 VanDerWaalsContact OE2-CB 3.29Å; E92-N94 WeakPolarHBondContact OE2-CB 3.18Å; E92-N94 PolarHBondContact OE2-N 2.95Å; E92-Y95 WeakPolarHBondContact O-CB 3.38Å; E92-Y95 PolarHBondContact O-N 3.29Å; E92-Y95 PolarHBondContact OE2-N 3.41Å; E92-L96 PolarHBondContact O-N 2.97Å; E92-L96 VanDerWaalsContact O-N 3.15Å |
| 93 | P | 96.2 | Very high | 91.8 | Very high | 25 Ų | 25 | 57.6 Ų | 57.6 | 16% | 0.162 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -36.5 | -171.9 | -27.6 | 35.1 | 0 | 0 | 0 | 115.6 | Y4 Y95 L96 K97 C116 | Y4-P93 HydrophobicContact CE1-CG 4.5Å; P93-Y95 VanDerWaalsContact C-N 3.34Å; P93-L96 PolarHBondContact O-N 3.3Å; P93-K97 WeakPolarHBondContact O-CB 3.31Å; P93-K97 PolarHBondContact O-N 3Å; P93-C116 HydrophobicContact CB-CB 4.15Å; P93-C116 WeakPolarHBondContact CB-O 3.33Å; P93-C116 WeakPolarHBondContact O-CB 3.34Å |
| 94 | N | 96.5 | Very high | 91.9 | Very high | 93 Ų | 93 | 57.5 Ų | 57.5 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.2 | -35.3 | 177.7 | -65.4 | -67.1 | 0 | 0 | 0 | 112.1 | E92 K97 A98 | E92-N94 PolarHBondContact O-N 2.92Å; E92-N94 VanDerWaalsContact OE1-CB 3.31Å; E92-N94 WeakPolarHBondContact OE1-CB 3.31Å; E92-N94 PolarHBondContact OE1-N 2.93Å; E92-N94 PolarHBondContact OE1-ND2 2.79Å; E92-N94 WeakPolarHBondContact OE2-CA 3.41Å; E92-N94 VanDerWaalsContact OE2-CB 3.29Å; E92-N94 WeakPolarHBondContact OE2-CB 3.18Å; E92-N94 PolarHBondContact OE2-N 2.95Å; N94-K97 PolarHBondContact O-N 2.93Å; N94-A98 WeakPolarHBondContact O-CB 3.47Å; N94-A98 PolarHBondContact O-N 2.94Å |
| 95 | Y | 94 | Very high | 92.1 | Very high | 97 Ų | 97 | 59.4 Ų | 59.4 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 172.3 | 179.2 | -99.4 | 0 | 0 | 0 | 111 | F38 F42 Y91 E92 P93 K97 A98 A99 | F38-Y95 AromaticContact CE2-CE1 3.75Å; F38-Y95 HydrophobicContact CE2-CE1 3.75Å; F38-Y95 HydrophobicContact CZ-CD1 4.38Å; F38-Y95 AromaticContact CZ-CE1 3.87Å; F38-Y95 HydrophobicContact CZ-CE1 3.87Å; F42-Y95 WeakPolarHBondContact CD2-OH 3.34Å; F42-Y95 HydrophobicContact CE2-CE1 4.29Å; F42-Y95 AromaticContact CE2-CZ 3.85Å; F42-Y95 WeakPolarHBondContact CE2-OH 3.35Å; F42-Y95 HydrophobicContact CZ-CE1 4.26Å; Y91-Y95 HydrophobicContact CD1-CD1 4.5Å; E92-Y95 WeakPolarHBondContact O-CB 3.38Å; E92-Y95 PolarHBondContact O-N 3.29Å; E92-Y95 PolarHBondContact OE2-N 3.41Å; P93-Y95 VanDerWaalsContact C-N 3.34Å; Y95-K97 PolarHBondContact O-N 2.98Å; Y95-A98 PolarHBondContact O-N 2.94Å; Y95-A99 WeakPolarHBondContact O-CB 2.98Å; Y95-A99 PolarHBondContact O-N 2.77Å |
| 96 | L | 93.1 | Very high | 92.4 | Very high | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 178.1 | -175.2 | 54.9 | 0 | 0 | 0 | 111.8 | Y4 L35 F38 F83 E92 P93 A98 A99 I100 | Y4-L96 HydrophobicContact CD1-CD2 3.87Å; Y4-L96 HydrophobicContact CD2-CD2 4.13Å; Y4-L96 HydrophobicContact CE1-CD2 4.01Å; Y4-L96 HydrophobicContact CE2-CD2 4.26Å; Y4-L96 HydrophobicContact CG-CD2 3.92Å; L35-L96 HydrophobicContact CD2-CD1 4.45Å; F38-L96 HydrophobicContact CD1-CD1 3.68Å; F38-L96 HydrophobicContact CE1-CD1 3.42Å; F38-L96 VanDerWaalsContact CE1-CD1 3.42Å; F38-L96 HydrophobicContact CG-CD1 4.36Å; F38-L96 HydrophobicContact CZ-CD1 3.89Å; F83-L96 HydrophobicContact CZ-CD2 3.83Å; E92-L96 PolarHBondContact O-N 2.97Å; E92-L96 VanDerWaalsContact O-N 3.15Å; P93-L96 PolarHBondContact O-N 3.3Å; L96-A98 PolarHBondContact O-N 3.17Å; L96-A99 PolarHBondContact O-N 3.44Å; L96-I100 HydrophobicContact CD1-CD1 3.9Å; L96-I100 HydrophobicContact CD1-CG1 4.22Å; L96-I100 HydrophobicContact CG-CD1 3.89Å; L96-I100 WeakPolarHBondContact O-CD1 3.06Å; L96-I100 VanDerWaalsContact O-CG1 3.25Å; L96-I100 WeakPolarHBondContact O-CG1 3.13Å; L96-I100 PolarHBondContact O-N 2.74Å |
| 97 | K | 96 | Very high | 92.7 | Very high | 57 Ų | 57 | 64.1 Ų | 64.1 | 25% | 0.248 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.5 | -48.5 | 173 | 167 | 178.8 | 166.1 | -173.9 | 0 | 112.1 | P93 N94 Y95 N101 I113 L114 C116 | P93-K97 WeakPolarHBondContact O-CB 3.31Å; P93-K97 PolarHBondContact O-N 3Å; N94-K97 PolarHBondContact O-N 2.93Å; Y95-K97 PolarHBondContact O-N 2.98Å; K97-N101 WeakPolarHBondContact O-CB 3.33Å; K97-N101 PolarHBondContact O-N 2.66Å; K97-N101 PolarHBondContact O-ND2 3.42Å; K97-I113 HydrophobicContact CB-CG2 4.09Å; K97-I113 HydrophobicContact CD-CG2 4.44Å; K97-I113 HydrophobicContact CG-CB 4.17Å; K97-I113 HydrophobicContact CG-CG2 3.83Å; K97-L114 VanDerWaalsContact CE-O 3.23Å; K97-L114 WeakPolarHBondContact CE-O 3.49Å; K97-L114 PolarHBondContact NZ-O 3.34Å; K97-C116 HydrophobicContact CB-CB 3.89Å |
| 98 | A | 96.5 | Very high | 93.3 | Very high | 52 Ų | 52 | 70.4 Ų | 70.4 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | N94 Y95 L96 T102 | N94-A98 WeakPolarHBondContact O-CB 3.47Å; N94-A98 PolarHBondContact O-N 2.94Å; Y95-A98 PolarHBondContact O-N 2.94Å; L96-A98 PolarHBondContact O-N 3.17Å; A98-T102 WeakPolarHBondContact O-CB 3.49Å; A98-T102 PolarHBondContact O-N 3.11Å; A98-T102 PolarHBondContact O-OG1 2.85Å |
| 99 | A | 93.4 | Very high | 94.1 | Very high | 18 Ų | 18 | 62.2 Ų | 62.2 | 15% | 0.149 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.5 | -47.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | F38 Y95 L96 T102 L103 | F38-A99 HydrophobicContact CD2-CB 3.53Å; F38-A99 HydrophobicContact CE2-CB 3.58Å; Y95-A99 WeakPolarHBondContact O-CB 2.98Å; Y95-A99 PolarHBondContact O-N 2.77Å; L96-A99 PolarHBondContact O-N 3.44Å; A99-T102 WeakPolarHBondContact O-CB 3.1Å; A99-T102 PolarHBondContact O-N 2.92Å; A99-L103 PolarHBondContact O-N 3.26Å |
| 100 | I | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 177.6 | -62.5 | 163 | 0 | 0 | 0 | 110.5 | L35 L96 T102 L103 L104 I113 | L35-I100 HydrophobicContact CD2-CD1 3.47Å; L35-I100 VanDerWaalsContact CD2-CD1 3.47Å; L35-I100 HydrophobicContact CD2-CG1 4.02Å; L35-I100 HydrophobicContact CG-CD1 4.46Å; L96-I100 HydrophobicContact CD1-CD1 3.9Å; L96-I100 HydrophobicContact CD1-CG1 4.22Å; L96-I100 HydrophobicContact CG-CD1 3.89Å; L96-I100 WeakPolarHBondContact O-CD1 3.06Å; L96-I100 VanDerWaalsContact O-CG1 3.25Å; L96-I100 WeakPolarHBondContact O-CG1 3.13Å; L96-I100 PolarHBondContact O-N 2.74Å; I100-T102 VanDerWaalsContact C-N 3.26Å; I100-T102 PolarHBondContact O-N 2.69Å; I100-L103 PolarHBondContact O-N 2.77Å; I100-L103 VanDerWaalsContact O-N 3.14Å; I100-L104 HydrophobicContact CG2-CD1 3.78Å; I100-L104 HydrophobicContact CG2-CG 4.16Å; I100-L104 WeakPolarHBondContact O-CG 3.37Å; I100-L104 PolarHBondContact O-N 3.2Å; I100-I113 HydrophobicContact CB-CG1 4.01Å; I100-I113 HydrophobicContact CG2-CD1 4.03Å; I100-I113 HydrophobicContact CG2-CG1 3.55Å |
| 101 | N | 97.6 | Very high | 95.2 | Very high | 30 Ų | 30 | 54.4 Ų | 54.4 | 16% | 0.16 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.1 | -37.2 | 176.4 | -83.2 | -31.4 | 0 | 0 | 0 | 112.4 | K97 L103 L104 C105 I113 | K97-N101 WeakPolarHBondContact O-CB 3.33Å; K97-N101 PolarHBondContact O-N 2.66Å; K97-N101 PolarHBondContact O-ND2 3.42Å; N101-L103 VanDerWaalsContact C-N 3.35Å; N101-L104 PolarHBondContact O-N 3.41Å; N101-C105 WeakPolarHBondContact O-CB 3.47Å; N101-C105 PolarHBondContact O-N 3.41Å; N101-C105 PolarHBondContact O-SG 3.01Å; N101-I113 PolarHBondContact ND2-O 3.38Å; N101-I113 PolarHBondContact OD1-N 3.32Å |
| 102 | T | 96.2 | Very high | 95.7 | Very high | 72 Ų | 72 | 57.9 Ų | 57.9 | 44% | 0.442 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 175.4 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | A98 A99 I100 K106 | A98-T102 WeakPolarHBondContact O-CB 3.49Å; A98-T102 PolarHBondContact O-N 3.11Å; A98-T102 PolarHBondContact O-OG1 2.85Å; A99-T102 WeakPolarHBondContact O-CB 3.1Å; A99-T102 PolarHBondContact O-N 2.92Å; I100-T102 VanDerWaalsContact C-N 3.26Å; I100-T102 PolarHBondContact O-N 2.69Å; T102-K106 HydrophobicContact CG2-CD 4.38Å; T102-K106 WeakPolarHBondContact O-CG 3.44Å; T102-K106 PolarHBondContact O-N 2.83Å |
| 103 | L | 94.3 | Very high | 95.9 | Very high | 18 Ų | 18 | 53.5 Ų | 53.5 | 9% | 0.094 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.1 | -47 | 176.2 | -67.7 | 176.2 | 0 | 0 | 0 | 111.6 | S34 L37 F38 L41 A99 I100 N101 C105 K106 L107 | S34-L103 VanDerWaalsContact O-CD1 3.24Å; S34-L103 WeakPolarHBondContact O-CD1 3.33Å; L37-L103 HydrophobicContact CB-CD1 4.25Å; L37-L103 HydrophobicContact CD2-CD1 4.26Å; L37-L103 HydrophobicContact CD2-CD2 3.79Å; L37-L103 HydrophobicContact CG-CD1 4.22Å; L37-L103 HydrophobicContact CG-CD2 4.27Å; F38-L103 HydrophobicContact CB-CD1 3.98Å; L41-L103 HydrophobicContact CD1-CD2 4.38Å; A99-L103 PolarHBondContact O-N 3.26Å; I100-L103 PolarHBondContact O-N 2.77Å; I100-L103 VanDerWaalsContact O-N 3.14Å; N101-L103 VanDerWaalsContact C-N 3.35Å; L103-C105 VanDerWaalsContact C-N 3.29Å; L103-C105 PolarHBondContact O-N 2.99Å; L103-K106 PolarHBondContact O-N 3.31Å; L103-K106 VanDerWaalsContact O-N 3.12Å; L103-L107 WeakPolarHBondContact O-CB 3.22Å; L103-L107 VanDerWaalsContact O-CG 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.43Å; L103-L107 PolarHBondContact O-N 2.95Å |
| 104 | L | 96.1 | Very high | 96 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.9 | -39.3 | 178 | -68.8 | 171.3 | 0 | 0 | 0 | 112.3 | V30 L31 I100 N101 E108 M109 I111 I113 | V30-L104 HydrophobicContact CG1-CD2 3.73Å; L31-L104 HydrophobicContact CD2-CD1 4.13Å; L31-L104 HydrophobicContact CD2-CD2 4.47Å; I100-L104 HydrophobicContact CG2-CD1 3.78Å; I100-L104 HydrophobicContact CG2-CG 4.16Å; I100-L104 WeakPolarHBondContact O-CG 3.37Å; I100-L104 PolarHBondContact O-N 3.2Å; N101-L104 PolarHBondContact O-N 3.41Å; L104-E108 PolarHBondContact O-N 3.27Å; L104-M109 HydrophobicContact CB-CB 4.49Å; L104-M109 HydrophobicContact CD2-CB 4.02Å; L104-M109 HydrophobicContact CD2-CG 4.46Å; L104-M109 PolarHBondContact O-N 2.84Å; L104-I111 HydrophobicContact CD1-CB 4.2Å; L104-I111 HydrophobicContact CD1-CG2 4.1Å; L104-I111 WeakPolarHBondContact CD1-O 3.43Å; L104-I111 HydrophobicContact CD2-CB 4.26Å; L104-I113 HydrophobicContact CD1-CD1 4.45Å; L104-I113 HydrophobicContact CD1-CG1 4.29Å |
| 105 | C | 96.3 | Very high | 96.1 | Very high | 66 Ų | 66 | 53.3 Ų | 53.3 | 45% | 0.446 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66 | -44.7 | 173.8 | -73.4 | 0 | 0 | 0 | 0 | 112.3 | N101 L103 L107 E108 | N101-C105 WeakPolarHBondContact O-CB 3.47Å; N101-C105 PolarHBondContact O-N 3.41Å; N101-C105 PolarHBondContact O-SG 3.01Å; L103-C105 VanDerWaalsContact C-N 3.29Å; L103-C105 PolarHBondContact O-N 2.99Å; C105-L107 VanDerWaalsContact C-N 3.26Å; C105-L107 PolarHBondContact O-N 3.23Å; C105-E108 PolarHBondContact O-N 3.3Å |
| 106 | K | 94.5 | Very high | 96.3 | Very high | 163 Ų | 163 | 48.9 Ų | 48.9 | 71% | 0.709 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.9 | -32.3 | 177.7 | -75.5 | 177.6 | 178.1 | -175.9 | 0 | 113 | T102 L103 | T102-K106 HydrophobicContact CG2-CD 4.38Å; T102-K106 WeakPolarHBondContact O-CG 3.44Å; T102-K106 PolarHBondContact O-N 2.83Å; L103-K106 PolarHBondContact O-N 3.31Å; L103-K106 VanDerWaalsContact O-N 3.12Å |
| 107 | L | 93 | Very high | 96.5 | Very high | 64 Ų | 64 | 52.1 Ų | 52.1 | 34% | 0.335 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 0.6 | 175.7 | -64.5 | 172.5 | 0 | 0 | 0 | 112.6 | F33 L103 C105 M109 | F33-L107 HydrophobicContact CD1-CD1 4.21Å; F33-L107 HydrophobicContact CE1-CD1 4.13Å; L103-L107 WeakPolarHBondContact O-CB 3.22Å; L103-L107 VanDerWaalsContact O-CG 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.43Å; L103-L107 PolarHBondContact O-N 2.95Å; C105-L107 VanDerWaalsContact C-N 3.26Å; C105-L107 PolarHBondContact O-N 3.23Å; L107-M109 HydrophobicContact CB-CG 3.7Å; L107-M109 WeakPolarHBondContact O-CE 3.44Å; L107-M109 PolarHBondContact O-N 3.09Å |
| 108 | E | 95.8 | Very high | 96.5 | Very high | 158 Ų | 158 | 51.5 Ų | 51.5 | 74% | 0.738 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 35.8 | -176.9 | -57.6 | -177.4 | 176.6 | 0 | 0 | 113.3 | L104 C105 | L104-E108 PolarHBondContact O-N 3.27Å; C105-E108 PolarHBondContact O-N 3.3Å |
| 109 | M | 96.8 | Very high | 96.5 | Very high | 36 Ų | 36 | 49.5 Ų | 49.5 | 18% | 0.177 | 25% | 0.247 | C | C | . | . | trans | -87 | 139.2 | -179 | -65.5 | -68.4 | 121.1 | 0 | 0 | 110.8 | V30 L104 L107 I111 R112 | V30-M109 HydrophobicContact CG1-CB 4.15Å; V30-M109 HydrophobicContact CG1-CG 3.63Å; V30-M109 HydrophobicContact CG1-SD 3.87Å; V30-M109 HydrophobicContact CG2-SD 3.93Å; L104-M109 HydrophobicContact CB-CB 4.49Å; L104-M109 HydrophobicContact CD2-CB 4.02Å; L104-M109 HydrophobicContact CD2-CG 4.46Å; L104-M109 PolarHBondContact O-N 2.84Å; L107-M109 HydrophobicContact CB-CG 3.7Å; L107-M109 WeakPolarHBondContact O-CE 3.44Å; L107-M109 PolarHBondContact O-N 3.09Å; M109-I111 PolarHBondContact O-N 3.1Å; M109-R112 PolarHBondContact O-NH1 2.89Å | ||
| 110 | E | 96.6 | Very high | 96.7 | Very high | 68 Ų | 68 | 50 Ų | 50 | 32% | 0.318 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -84 | 42.3 | 178.9 | -59 | 179.2 | 147.7 | 0 | 0 | 112.2 | Y10 L11 F15 | Y10-E110 CarbonylContact C-O 3.52Å; Y10-E110 WeakPolarHBondContact CA-O 3.17Å; Y10-E110 VanDerWaalsContact CB-O 3.28Å; Y10-E110 WeakPolarHBondContact CB-O 3.32Å; L11-E110 HydrophobicContact CB-CB 4Å; L11-E110 HydrophobicContact CG-CB 4.48Å; L11-E110 PolarHBondContact N-O 3.15Å; F15-E110 HydrophobicContact CE2-CB 4.48Å |
| 111 | I | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.4 | -179.2 | -54.3 | 165.1 | 0 | 0 | 0 | 108.8 | F8 S9 F15 V27 V30 L31 L104 M109 | F8-I111 HydrophobicContact CD2-CG2 4.4Å; S9-I111 CarbonylContact O-C 3.56Å; S9-I111 VanDerWaalsContact O-CA 3.32Å; S9-I111 WeakPolarHBondContact O-CA 2.99Å; F15-I111 HydrophobicContact CE1-CD1 3.98Å; F15-I111 HydrophobicContact CE2-CG1 4.29Å; F15-I111 HydrophobicContact CZ-CD1 3.74Å; F15-I111 HydrophobicContact CZ-CG1 3.81Å; V27-I111 HydrophobicContact CB-CD1 4.41Å; V27-I111 HydrophobicContact CG1-CD1 3.92Å; V27-I111 HydrophobicContact CG1-CG1 4.29Å; V30-I111 HydrophobicContact CB-CD1 3.85Å; V30-I111 HydrophobicContact CG1-CD1 3.7Å; L31-I111 HydrophobicContact CD1-CG2 4.49Å; L31-I111 HydrophobicContact CD2-CG2 3.85Å; L31-I111 HydrophobicContact CG-CG2 4.29Å; L104-I111 HydrophobicContact CD1-CB 4.2Å; L104-I111 HydrophobicContact CD1-CG2 4.1Å; L104-I111 WeakPolarHBondContact CD1-O 3.43Å; L104-I111 HydrophobicContact CD2-CB 4.26Å; M109-I111 PolarHBondContact O-N 3.1Å |
| 112 | R | 98.5 | Very high | 96.7 | Very high | 98 Ų | 98 | 52 Ų | 52 | 37% | 0.37 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 131.2 | 175.3 | -64.9 | -66.1 | 177.9 | -87.4 | -0.9 | 111.3 | F8 S9 M109 L114 | F8-R112 CarbonylContact C-O 3.57Å; F8-R112 WeakPolarHBondContact CA-O 3.3Å; F8-R112 WeakPolarHBondContact CB-O 3.42Å; S9-R112 PolarHBondContact N-O 3.42Å; S9-R112 PolarHBondContact O-N 3.09Å; M109-R112 PolarHBondContact O-NH1 2.89Å; R112-L114 PolarHBondContact O-N 3.48Å |
| 113 | I | 98.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 118.7 | 168.4 | -50.7 | -52.9 | 0 | 0 | 0 | 108.6 | L6 S7 F8 L31 K97 I100 N101 L104 D115 | L6-I113 HydrophobicContact CD1-CD1 4.27Å; L6-I113 HydrophobicContact CD2-CG2 4.1Å; S7-I113 CarbonylContact O-C 3.56Å; F8-I113 HydrophobicContact CB-CD1 3.82Å; L31-I113 HydrophobicContact CD2-CD1 3.74Å; K97-I113 HydrophobicContact CB-CG2 4.09Å; K97-I113 HydrophobicContact CD-CG2 4.44Å; K97-I113 HydrophobicContact CG-CB 4.17Å; K97-I113 HydrophobicContact CG-CG2 3.83Å; I100-I113 HydrophobicContact CB-CG1 4.01Å; I100-I113 HydrophobicContact CG2-CD1 4.03Å; I100-I113 HydrophobicContact CG2-CG1 3.55Å; N101-I113 PolarHBondContact ND2-O 3.38Å; N101-I113 PolarHBondContact OD1-N 3.32Å; L104-I113 HydrophobicContact CD1-CD1 4.45Å; L104-I113 HydrophobicContact CD1-CG1 4.29Å; I113-D115 WeakPolarHBondContact CG2-O 3.11Å |
| 114 | L | 98.6 | Very high | 96.8 | Very high | 72 Ų | 72 | 47.9 Ų | 47.9 | 38% | 0.377 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -40.3 | -179.8 | -56.7 | 177.9 | 0 | 0 | 0 | 111.6 | S7 L77 M78 K97 R112 | S7-L114 PolarHBondContact O-N 3.11Å; L77-L114 WeakPolarHBondContact O-CD1 3.5Å; M78-L114 HydrophobicContact CB-CD1 4.24Å; M78-L114 HydrophobicContact CG-CD1 4.28Å; K97-L114 VanDerWaalsContact CE-O 3.23Å; K97-L114 WeakPolarHBondContact CE-O 3.49Å; K97-L114 PolarHBondContact NZ-O 3.34Å; R112-L114 PolarHBondContact O-N 3.48Å |
| 115 | D | 98.3 | Very high | 96.8 | Very high | 43 Ų | 43 | 47.9 Ų | 47.9 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 151.3 | -178.8 | -169.9 | 36 | 0 | 0 | 0 | 110.3 | L6 S7 I113 R117 | L6-D115 WeakPolarHBondContact CA-O 3.34Å; S7-D115 PolarHBondContact N-O 3.03Å; S7-D115 PolarHBondContact O-N 2.7Å; I113-D115 WeakPolarHBondContact CG2-O 3.11Å; D115-R117 IonicContact OD2-CZ 3.53Å; D115-R117 IonicContact OD2-NE 3.85Å; D115-R117 PolarHBondContact OD2-NE 2.9Å; D115-R117 VanDerWaalsContact OD2-NE 3.12Å; D115-R117 IonicContact OD2-NH2 3.62Å; D115-R117 PolarHBondContact OD2-NH2 3.45Å |
| 116 | C | 98.2 | Very high | 96.8 | Very high | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.027 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 135.4 | 172.6 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | F5 L6 P93 K97 | F5-C116 VanDerWaalsContact O-CA 3.3Å; F5-C116 WeakPolarHBondContact O-CA 3.31Å; L6-C116 HydrophobicContact CD2-CB 3.78Å; L6-C116 VanDerWaalsContact CD2-SG 3.55Å; P93-C116 HydrophobicContact CB-CB 4.15Å; P93-C116 WeakPolarHBondContact CB-O 3.33Å; P93-C116 WeakPolarHBondContact O-CB 3.34Å; K97-C116 HydrophobicContact CB-CB 3.89Å |
| 117 | R | 97.1 | Very high | 96.9 | Very high | 72 Ų | 72 | 47.4 Ų | 47.4 | 27% | 0.272 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 154 | 175.6 | 63.4 | -176.4 | 70.7 | -178.1 | 0.8 | 110.9 | Y4 F5 D115 V119 E309 F312 | Y4-R117 CarbonylContact C-O 3.57Å; Y4-R117 WeakPolarHBondContact CA-O 3.41Å; F5-R117 HydrophobicContact CB-CG 3.9Å; F5-R117 HydrophobicContact CD1-CG 3.86Å; F5-R117 HydrophobicContact CG-CG 4.33Å; F5-R117 PolarHBondContact N-O 3.22Å; F5-R117 PolarHBondContact O-N 3.13Å; D115-R117 IonicContact OD2-CZ 3.53Å; D115-R117 IonicContact OD2-NE 3.85Å; D115-R117 PolarHBondContact OD2-NE 2.9Å; D115-R117 VanDerWaalsContact OD2-NE 3.12Å; D115-R117 IonicContact OD2-NH2 3.62Å; D115-R117 PolarHBondContact OD2-NH2 3.45Å; R117-V119 HydrophobicContact CG-CG1 3.85Å; R117-E309 IonicContact NH1-OE1 2.79Å; R117-E309 PolarHBondContact NH1-OE1 3.27Å; R117-E309 IonicContact NH1-OE2 3.04Å; R117-E309 PolarHBondContact NH1-OE2 2.73Å; R117-F312 VanDerWaalsContact NH1-CE2 3.3Å |
| 118 | T | 97.2 | Very high | 97.1 | Very high | 43 Ų | 43 | 44.5 Ų | 44.5 | 26% | 0.264 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 139.9 | 168.3 | -51.2 | 0 | 0 | 0 | 0 | 109.2 | R3 Y4 E90 | R3-T118 WeakPolarHBondContact O-CA 3.37Å; Y4-T118 WeakPolarHBondContact CE1-OG1 3.42Å; E90-T118 WeakPolarHBondContact OE1-CB 3.48Å; E90-T118 VanDerWaalsContact OE1-CG2 3.25Å; E90-T118 WeakPolarHBondContact OE1-CG2 3.39Å; E90-T118 PolarHBondContact OE1-OG1 2.83Å |
| 119 | V | 97.2 | Very high | 97.2 | Very high | 10 Ų | 10 | 37.1 Ų | 37.1 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 164.6 | -178.3 | -57.5 | 0 | 0 | 0 | 0 | 110.2 | R3 F5 T82 R117 F123 F312 | R3-V119 HydrophobicContact CB-CG2 4.13Å; R3-V119 HydrophobicContact CG-CG2 3.56Å; R3-V119 PolarHBondContact O-N 3.19Å; F5-V119 HydrophobicContact CB-CG1 3.55Å; F5-V119 HydrophobicContact CB-CG2 4.15Å; F5-V119 HydrophobicContact CG-CG1 4.47Å; T82-V119 HydrophobicContact CG2-CG2 4.27Å; R117-V119 HydrophobicContact CG-CG1 3.85Å; V119-F123 HydrophobicContact CB-CB 4.23Å; V119-F123 HydrophobicContact CB-CD1 4.28Å; V119-F123 HydrophobicContact CB-CG 4.41Å; V119-F123 HydrophobicContact CG2-CB 4.09Å; V119-F123 HydrophobicContact CG2-CD1 3.9Å; V119-F123 HydrophobicContact CG2-CG 4.33Å; V119-F312 HydrophobicContact CB-CD1 4.34Å; V119-F312 HydrophobicContact CG1-CB 4.12Å; V119-F312 HydrophobicContact CG1-CD1 3.49Å; V119-F312 VanDerWaalsContact CG1-CD1 3.49Å; V119-F312 HydrophobicContact CG1-CE1 4.28Å; V119-F312 HydrophobicContact CG1-CG 4.17Å |
| 120 | S | 96.6 | Very high | 97.3 | Very high | 28 Ų | 28 | 41 Ų | 41 | 20% | 0.196 | 18% | 0.183 | C | C | . | . | trans | -55.2 | 142.6 | 174.9 | 178.9 | 0 | 0 | 0 | 0 | 111.9 | G122 F123 F312 L313 P315 | S120-G122 PolarHBondContact O-N 3.11Å; S120-G122 PolarHBondContact OG-N 3.46Å; S120-F123 WeakPolarHBondContact O-CB 3.41Å; S120-F123 PolarHBondContact O-N 2.93Å; S120-F312 WeakPolarHBondContact CB-O 3.42Å; S120-F312 PolarHBondContact N-O 2.91Å; S120-L313 WeakPolarHBondContact CB-O 3.27Å; S120-P315 WeakPolarHBondContact OG-CD 3.26Å; S120-P315 WeakPolarHBondContact OG-CG 3.38Å | ||
| 121 | L | 95.7 | Very high | 97.3 | Very high | 73 Ų | 73 | 39.9 Ų | 39.9 | 38% | 0.382 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -11.5 | 174.3 | -66.2 | 177.2 | 0 | 0 | 0 | 113.4 | M1 R3 F318 | M1-L121 HydrophobicContact CG-CD2 4.18Å; M1-L121 HydrophobicContact SD-CD2 4.42Å; R3-L121 HydrophobicContact CB-CD2 3.92Å; R3-L121 PolarHBondContact NH1-O 3.36Å; R3-L121 PolarHBondContact NH2-O 3.39Å; L121-F318 HydrophobicContact CB-CZ 4.34Å |
| 122 | G | 96.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -8.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S120 H128 P315 F318 Y319 | S120-G122 PolarHBondContact O-N 3.11Å; S120-G122 PolarHBondContact OG-N 3.46Å; G122-H128 PolarHBondContact O-CE1 3.08Å; G122-P315 VanDerWaalsContact C-CG 3.47Å; G122-F318 VanDerWaalsContact CA-CE2 3.45Å; G122-F318 VanDerWaalsContact CA-CZ 3.48Å; G122-F318 VanDerWaalsContact N-CZ 3.31Å; G122-Y319 WeakPolarHBondContact CA-O 3.33Å; G122-Y319 WeakPolarHBondContact O-CB 3.36Å; G122-Y319 PolarHBondContact O-N 2.91Å |
| 123 | F | 97.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -81.2 | 138.4 | -175.1 | -179.9 | -94.2 | 0 | 0 | 0 | 111.3 | R3 F5 T82 V119 S120 H128 Y307 D311 F312 P315 | R3-F123 WeakPolarHBondContact CD-O 3.11Å; R3-F123 PolarHBondContact NH1-O 3.41Å; F5-F123 HydrophobicContact CD2-CD1 4.49Å; F5-F123 AromaticContact CD2-CE1 3.62Å; F5-F123 HydrophobicContact CD2-CE1 3.62Å; F5-F123 HydrophobicContact CD2-CZ 4.36Å; F5-F123 AromaticContact CE2-CE1 3.92Å; F5-F123 HydrophobicContact CE2-CE1 3.92Å; F5-F123 HydrophobicContact CE2-CZ 4.26Å; F5-F123 HydrophobicContact CG-CE1 4.47Å; T82-F123 HydrophobicContact CG2-CD1 3.76Å; T82-F123 HydrophobicContact CG2-CE1 4.04Å; V119-F123 HydrophobicContact CB-CB 4.23Å; V119-F123 HydrophobicContact CB-CD1 4.28Å; V119-F123 HydrophobicContact CB-CG 4.41Å; V119-F123 HydrophobicContact CG2-CB 4.09Å; V119-F123 HydrophobicContact CG2-CD1 3.9Å; V119-F123 HydrophobicContact CG2-CG 4.33Å; S120-F123 WeakPolarHBondContact O-CB 3.41Å; S120-F123 PolarHBondContact O-N 2.93Å; F123-H128 HydrophobicContact CD2-CB 3.99Å; F123-H128 AromaticContact CD2-CG 3.93Å; F123-H128 AromaticContact CD2-ND1 3.93Å; F123-H128 HydrophobicContact CE2-CB 3.54Å; F123-H128 HydrophobicContact CZ-CB 4.16Å; F123-Y307 HydrophobicContact CE2-CD1 4.03Å; F123-Y307 HydrophobicContact CE2-CE1 4.49Å; F123-Y307 AromaticContact CZ-CD1 3.54Å; F123-Y307 HydrophobicContact CZ-CD1 3.54Å; F123-Y307 AromaticContact CZ-CE1 3.7Å; F123-Y307 HydrophobicContact CZ-CE1 3.7Å; F123-Y307 HydrophobicContact CZ-CG 4.3Å; F123-D311 HydrophobicContact CD2-CB 3.98Å; F123-D311 VanDerWaalsContact CD2-O 3.23Å; F123-D311 WeakPolarHBondContact CD2-O 3.35Å; F123-D311 HydrophobicContact CE2-CB 3.9Å; F123-F312 HydrophobicContact CD1-CD1 4.2Å; F123-F312 HydrophobicContact CD1-CE1 4.49Å; F123-F312 HydrophobicContact CD2-CD1 4.14Å; F123-F312 AromaticContact CE1-CD1 3.86Å; F123-F312 HydrophobicContact CE1-CD1 3.86Å; F123-F312 AromaticContact CE1-CE1 3.72Å; F123-F312 HydrophobicContact CE1-CE1 3.72Å; F123-F312 AromaticContact CE2-CD1 3.74Å; F123-F312 HydrophobicContact CE2-CD1 3.74Å; F123-F312 AromaticContact CE2-CE1 3.92Å; F123-F312 HydrophobicContact CE2-CE1 3.92Å; F123-F312 HydrophobicContact CE2-CG 4.47Å; F123-F312 HydrophobicContact CG-CD1 4.33Å; F123-F312 AromaticContact CZ-CD1 3.59Å; F123-F312 HydrophobicContact CZ-CD1 3.59Å; F123-F312 AromaticContact CZ-CE1 3.35Å; F123-F312 HydrophobicContact CZ-CE1 3.35Å; F123-F312 HydrophobicContact CZ-CZ 4.24Å; F123-P315 HydrophobicContact CB-CB 4.34Å; F123-P315 HydrophobicContact CB-CG 4.39Å | ||
| 124 | D | 95.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | trans | -133.6 | 117.5 | -176.3 | -178.8 | -60.9 | 0 | 0 | 0 | 109.6 | R126 R127 H128 Y319 | D124-R126 PolarHBondContact O-N 3.41Å; D124-R126 WeakPolarHBondContact OD1-CA 3.19Å; D124-R126 WeakPolarHBondContact OD1-CB 3.31Å; D124-R126 PolarHBondContact OD1-N 3.29Å; D124-R127 HydrophobicContact CB-CB 4.18Å; D124-R127 VanDerWaalsContact CG-NE 3.3Å; D124-R127 PolarHBondContact O-N 2.82Å; D124-R127 PolarHBondContact OD1-N 3.42Å; D124-R127 IonicContact OD1-NE 3.92Å; D124-R127 IonicContact OD2-CZ 3.68Å; D124-R127 IonicContact OD2-NE 2.81Å; D124-R127 PolarHBondContact OD2-NE 2.99Å; D124-R127 IonicContact OD2-NH2 3.97Å; D124-R127 PolarHBondContact OD2-NH2 3.15Å; D124-H128 PolarHBondContact N-ND1 3.39Å; D124-H128 VanDerWaalsContact N-ND1 3.16Å; D124-H128 WeakPolarHBondContact O-CB 3.37Å; D124-H128 PolarHBondContact O-N 3.29Å; D124-Y319 HydrophobicContact CB-CD2 3.78Å; D124-Y319 HydrophobicContact CB-CG 4.33Å | ||
| 125 | A | 97.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -34.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F5 S67 T82 Y307 | F5-A125 HydrophobicContact CD2-CB 4.36Å; F5-A125 HydrophobicContact CE2-CB 4.24Å; S67-A125 VanDerWaalsContact CB-O 3.28Å; S67-A125 WeakPolarHBondContact CB-O 3.33Å; S67-A125 PolarHBondContact OG-O 3.1Å; T82-A125 HydrophobicContact CG2-CB 4.16Å; A125-Y307 VanDerWaalsContact O-CE1 3.24Å; A125-Y307 WeakPolarHBondContact O-CE1 3.32Å; A125-Y307 PolarHBondContact O-OH 3.37Å |
| 126 | R | 96.4 | Very high | 97.4 | Very high | 130 Ų | 130 | 32.7 Ų | 32.7 | 49% | 0.491 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -47.2 | -179 | 179.7 | 175.4 | 178.9 | -171.2 | -0.2 | 112.1 | D124 R132 | D124-R126 PolarHBondContact O-N 3.41Å; D124-R126 WeakPolarHBondContact OD1-CA 3.19Å; D124-R126 WeakPolarHBondContact OD1-CB 3.31Å; D124-R126 PolarHBondContact OD1-N 3.29Å; R126-R132 PolarHBondContact O-NH2 3.24Å |
| 127 | R | 96 | Very high | 97.4 | Very high | 89 Ų | 89 | 34.2 Ų | 34.2 | 34% | 0.336 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -30.4 | -169.7 | -66.9 | -179.6 | -75.1 | -165.9 | -11.7 | 113.7 | D124 A129 Y319 E324 | D124-R127 HydrophobicContact CB-CB 4.18Å; D124-R127 VanDerWaalsContact CG-NE 3.3Å; D124-R127 PolarHBondContact O-N 2.82Å; D124-R127 PolarHBondContact OD1-N 3.42Å; D124-R127 IonicContact OD1-NE 3.92Å; D124-R127 IonicContact OD2-CZ 3.68Å; D124-R127 IonicContact OD2-NE 2.81Å; D124-R127 PolarHBondContact OD2-NE 2.99Å; D124-R127 IonicContact OD2-NH2 3.97Å; D124-R127 PolarHBondContact OD2-NH2 3.15Å; R127-A129 VanDerWaalsContact C-N 3.35Å; R127-Y319 HydrophobicContact CB-CD2 3.95Å; R127-Y319 HydrophobicContact CB-CE2 3.34Å; R127-Y319 HydrophobicContact CG-CE2 4.23Å; R127-E324 IonicContact CZ-OE1 2.99Å; R127-E324 IonicContact NH1-OE1 3.4Å; R127-E324 IonicContact NH2-OE1 3.12Å; R127-E324 PolarHBondContact NH2-OE1 3.22Å |
| 128 | H | 97.7 | Very high | 97.5 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -85.3 | -6 | 174.1 | -71.3 | 98.8 | 0 | 0 | 0 | 113.6 | G122 F123 D124 R130 Y307 D311 P315 N316 P317 Y319 | G122-H128 PolarHBondContact O-CE1 3.08Å; F123-H128 HydrophobicContact CD2-CB 3.99Å; F123-H128 AromaticContact CD2-CG 3.93Å; F123-H128 AromaticContact CD2-ND1 3.93Å; F123-H128 HydrophobicContact CE2-CB 3.54Å; F123-H128 HydrophobicContact CZ-CB 4.16Å; D124-H128 PolarHBondContact N-ND1 3.39Å; D124-H128 VanDerWaalsContact N-ND1 3.16Å; D124-H128 WeakPolarHBondContact O-CB 3.37Å; D124-H128 PolarHBondContact O-N 3.29Å; H128-R130 PolarHBondContact O-N 2.96Å; H128-R130 VanDerWaalsContact O-N 3.14Å; H128-Y307 HydrophobicContact CB-CD1 4.37Å; H128-D311 HydrophobicContact CB-CB 4.42Å; H128-D311 IonicContact CD2-OD1 2.88Å; H128-D311 IonicContact CD2-OD2 2.69Å; H128-P315 VanDerWaalsContact CE1-CB 3.4Å; H128-P315 WeakPolarHBondContact CE1-CB 3.31Å; H128-P315 VanDerWaalsContact NE2-CB 3.35Å; H128-P315 WeakPolarHBondContact NE2-CB 3.29Å; H128-N316 PolarHBondContact NE2-N 3.34Å; H128-P317 PolarHBondContact CE1-O 2.99Å; H128-P317 VanDerWaalsContact CE1-O 3.25Å; H128-P317 PolarHBondContact NE2-O 2.94Å; H128-Y319 AromaticContact CE1-CD2 3.29Å; H128-Y319 WeakPolarHBondContact CE1-CD2 3.43Å; H128-Y319 AromaticContact CE1-CE2 3.55Å; H128-Y319 AromaticContact ND1-CD2 3.64Å; H128-Y319 AromaticContact ND1-CE2 3.83Å |
| 129 | A | 97.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 3% | 0.025 | 13% | 0.125 | C | C | . | . | trans | -62 | 117.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | R127 I305 Y307 | R127-A129 VanDerWaalsContact C-N 3.35Å; A129-I305 HydrophobicContact CB-CG2 3.59Å; A129-Y307 VanDerWaalsContact CA-CE1 3.49Å; A129-Y307 HydrophobicContact CB-CE1 3.81Å | ||
| 130 | R | 97.6 | Very high | 97.6 | Very high | 118 Ų | 118 | 28.7 Ų | 28.7 | 45% | 0.445 | 12% | 0.124 | S | C | . | . | trans | -82.9 | -36.3 | -177.4 | -58.2 | -61.2 | 179.4 | 170.4 | -4.3 | 111.6 | H128 H306 D311 | H128-R130 PolarHBondContact O-N 2.96Å; H128-R130 VanDerWaalsContact O-N 3.14Å; R130-H306 PolarHBondContact N-O 3.49Å; R130-D311 IonicContact CZ-OD2 3.71Å; R130-D311 IonicContact NE-OD2 3.2Å; R130-D311 PolarHBondContact NE-OD2 3.45Å; R130-D311 IonicContact NH2-OD1 3.92Å; R130-D311 PolarHBondContact NH2-OD1 2.9Å; R130-D311 IonicContact NH2-OD2 2.67Å; R130-D311 PolarHBondContact NH2-OD2 3.39Å | ||
| 131 | E | 98.2 | Very high | 97.6 | Very high | 43 Ų | 43 | 27.4 Ų | 27.4 | 20% | 0.201 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 146.5 | -177.2 | -169.3 | 172.3 | 93.1 | 0 | 0 | 110.8 | K216 I246 I305 H306 | E131-K216 IonicContact OE1-NZ 3.08Å; E131-K216 WeakPolarHBondContact OE2-CD 3.37Å; E131-K216 WeakPolarHBondContact OE2-CE 3.43Å; E131-K216 IonicContact OE2-NZ 3.34Å; E131-K216 PolarHBondContact OE2-NZ 2.91Å; E131-I246 HydrophobicContact CG-CG2 3.36Å; E131-I246 VanDerWaalsContact OE1-CG2 3.24Å; E131-I246 WeakPolarHBondContact OE1-CG2 3.49Å; E131-I246 WeakPolarHBondContact OE2-CG2 3.48Å; E131-I305 WeakPolarHBondContact O-CA 3.37Å; E131-H306 HydrophobicContact CB-CB 4.05Å; E131-H306 PolarHBondContact O-N 3.06Å |
| 132 | R | 98.6 | Very high | 97.5 | Very high | 17 Ų | 17 | 26.5 Ų | 26.5 | 6% | 0.064 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 130.7 | 174.9 | -68.7 | 170.2 | 175.1 | 78.1 | 1.1 | 108.5 | S67 S68 R126 Y134 S247 K248 F250 I305 | S67-R132 PolarHBondContact O-NH2 3.36Å; S67-R132 PolarHBondContact OG-NH2 3.31Å; S68-R132 VanDerWaalsContact OG-CD 3.32Å; S68-R132 WeakPolarHBondContact OG-CD 3.2Å; S68-R132 PolarHBondContact OG-NE 3.23Å; R126-R132 PolarHBondContact O-NH2 3.24Å; R132-Y134 HydrophobicContact CB-CE2 4.31Å; R132-S247 PolarHBondContact N-O 3.31Å; R132-S247 PolarHBondContact O-N 2.88Å; R132-S247 VanDerWaalsContact O-N 3.15Å; R132-K248 PolarHBondContact NH1-O 3.35Å; R132-F250 HydrophobicContact CB-CE2 4.29Å; R132-I305 HydrophobicContact CG-CG1 4.42Å; R132-I305 HydrophobicContact CG-CG2 4.24Å |
| 133 | T | 98.8 | Very high | 97.3 | Very high | 17 Ų | 17 | 31.9 Ų | 31.9 | 10% | 0.104 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123.4 | 175.5 | -57.8 | 0 | 0 | 0 | 0 | 108.6 | T244 F245 I246 K303 N304 | T133-T244 HydrophobicContact CG2-CG2 3.61Å; T133-F245 CarbonylContact C-O 3.52Å; T133-F245 WeakPolarHBondContact CA-O 3.34Å; T133-I246 HydrophobicContact CG2-CG1 4.16Å; T133-K303 HydrophobicContact CG2-CB 4.24Å; T133-K303 HydrophobicContact CG2-CD 4.05Å; T133-K303 HydrophobicContact CG2-CG 4.46Å; T133-K303 WeakPolarHBondContact O-CA 3.37Å; T133-K303 WeakPolarHBondContact O-CB 3.23Å; T133-K303 PolarHBondContact O-N 3.46Å; T133-N304 PolarHBondContact N-O 3Å; T133-N304 PolarHBondContact O-N 3.45Å; T133-N304 VanDerWaalsContact O-N 3.11Å |
| 134 | Y | 98.9 | Very high | 97 | Very high | 18 Ų | 18 | 35.5 Ų | 35.5 | 7% | 0.071 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 151.7 | 169.7 | -78.3 | -99.1 | 0 | 0 | 0 | 110.2 | R132 T244 F245 F250 I255 L300 F301 L302 | R132-Y134 HydrophobicContact CB-CE2 4.31Å; Y134-T244 CarbonylContact O-C 3.5Å; Y134-T244 WeakPolarHBondContact O-CA 3.39Å; Y134-F245 PolarHBondContact N-O 3.33Å; Y134-F245 PolarHBondContact O-N 3.3Å; Y134-F250 AromaticContact CD2-CD2 3.69Å; Y134-F250 HydrophobicContact CD2-CD2 3.69Å; Y134-F250 AromaticContact CD2-CE2 3.56Å; Y134-F250 HydrophobicContact CD2-CE2 3.56Å; Y134-F250 HydrophobicContact CD2-CZ 4.41Å; Y134-F250 AromaticContact CE2-CD2 3.58Å; Y134-F250 HydrophobicContact CE2-CD2 3.58Å; Y134-F250 AromaticContact CE2-CE2 3.92Å; Y134-F250 HydrophobicContact CE2-CE2 3.92Å; Y134-F250 HydrophobicContact CE2-CG 4.49Å; Y134-I255 VanDerWaalsContact CB-CD1 3.48Å; Y134-I255 HydrophobicContact CD1-CD1 3.86Å; Y134-I255 HydrophobicContact CD2-CD1 3.48Å; Y134-I255 VanDerWaalsContact CD2-CD1 3.48Å; Y134-I255 HydrophobicContact CE1-CD1 4.43Å; Y134-I255 HydrophobicContact CE2-CD1 4.12Å; Y134-I255 HydrophobicContact CG-CD1 3.32Å; Y134-L300 HydrophobicContact CD1-CD1 3.64Å; Y134-L300 HydrophobicContact CD1-CD2 4.31Å; Y134-L300 HydrophobicContact CD1-CG 3.98Å; Y134-L300 HydrophobicContact CE1-CD2 4.46Å; Y134-L300 HydrophobicContact CE1-CG 4.48Å; Y134-L300 HydrophobicContact CG-CD1 4.26Å; Y134-F301 CarbonylContact C-O 3.46Å; Y134-F301 VanDerWaalsContact CA-O 3.29Å; Y134-F301 WeakPolarHBondContact CA-O 3.41Å; Y134-F301 WeakPolarHBondContact CD1-O 3.41Å; Y134-L302 HydrophobicContact CD1-CB 4.17Å; Y134-L302 HydrophobicContact CD1-CD1 4.46Å; Y134-L302 HydrophobicContact CD2-CD1 4.1Å; Y134-L302 HydrophobicContact CE1-CB 3.77Å; Y134-L302 HydrophobicContact CE1-CD1 4.06Å; Y134-L302 HydrophobicContact CE1-CG 4.49Å; Y134-L302 HydrophobicContact CE2-CD1 3.64Å; Y134-L302 HydrophobicContact CG-CD1 4.5Å |
| 135 | L | 98.8 | Very high | 96.8 | Very high | 15 Ų | 15 | 38.7 Ų | 38.7 | 8% | 0.079 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 130 | 170.9 | 168.7 | 66.3 | 0 | 0 | 0 | 107.8 | R137 D242 V243 F301 K303 | L135-R137 HydrophobicContact CD1-CG 4.32Å; L135-R137 HydrophobicContact CD2-CG 4.07Å; L135-R137 HydrophobicContact CG-CG 4.01Å; L135-D242 HydrophobicContact CD1-CB 3.61Å; L135-V243 CarbonylContact C-O 3.59Å; L135-V243 WeakPolarHBondContact CA-O 3.35Å; L135-F301 HydrophobicContact CB-CB 4.3Å; L135-F301 PolarHBondContact N-O 3.23Å; L135-F301 PolarHBondContact O-N 2.75Å; L135-K303 HydrophobicContact CB-CB 4.19Å; L135-K303 HydrophobicContact CB-CD 4.2Å |
| 136 | Y | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.8 | 166.6 | -157.9 | -74.8 | 0 | 0 | 0 | 109 | L138 W169 V243 M259 A295 P296 G299 L300 | Y136-L138 HydrophobicContact CD1-CD2 3.79Å; Y136-L138 HydrophobicContact CD1-CG 4.39Å; Y136-L138 HydrophobicContact CE1-CD2 3.65Å; Y136-W169 HydrophobicContact CE1-CB 3.72Å; Y136-W169 HydrophobicContact CE1-CD2 4.49Å; Y136-W169 AromaticContact CE1-CE3 3.83Å; Y136-W169 HydrophobicContact CE1-CE3 3.83Å; Y136-W169 AromaticContact CZ-CE3 3.93Å; Y136-V243 PolarHBondContact N-O 2.96Å; Y136-V243 PolarHBondContact O-N 2.74Å; Y136-M259 HydrophobicContact CD1-CE 3.56Å; Y136-M259 HydrophobicContact CD1-CG 4.34Å; Y136-M259 HydrophobicContact CD1-SD 4.3Å; Y136-M259 HydrophobicContact CD2-CG 3.77Å; Y136-M259 HydrophobicContact CE1-CE 4.01Å; Y136-M259 HydrophobicContact CE2-CG 4.24Å; Y136-M259 HydrophobicContact CG-CE 3.94Å; Y136-M259 HydrophobicContact CG-CG 3.84Å; Y136-M259 HydrophobicContact CG-SD 4.07Å; Y136-A295 HydrophobicContact CE2-CB 4Å; Y136-A295 WeakPolarHBondContact OH-CB 3.48Å; Y136-P296 WeakPolarHBondContact CE2-O 3.35Å; Y136-P296 WeakPolarHBondContact OH-CD 2.89Å; Y136-P296 PolarHBondContact OH-O 2.96Å; Y136-G299 CarbonylContact C-O 3.46Å; Y136-G299 VanDerWaalsContact CA-O 3.22Å; Y136-G299 WeakPolarHBondContact CA-O 3.35Å; Y136-L300 HydrophobicContact CD2-CB 3.77Å; Y136-L300 HydrophobicContact CD2-CD1 3.9Å; Y136-L300 HydrophobicContact CD2-CG 4.39Å; Y136-L300 HydrophobicContact CE2-CB 3.9Å |
| 137 | R | 98.8 | Very high | 95.3 | Very high | 36 Ų | 36 | 40.9 Ų | 40.9 | 14% | 0.136 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 129 | 179.3 | -61.8 | -177 | 70.1 | -137.7 | 5.4 | 111.1 | L135 E164 R167 V168 W169 R224 F241 D242 G299 F301 | L135-R137 HydrophobicContact CD1-CG 4.32Å; L135-R137 HydrophobicContact CD2-CG 4.07Å; L135-R137 HydrophobicContact CG-CG 4.01Å; R137-E164 IonicContact CZ-OE2 3.12Å; R137-E164 IonicContact NH1-OE2 2.77Å; R137-E164 PolarHBondContact NH1-OE2 2.94Å; R137-E164 IonicContact NH2-OE1 3.73Å; R137-E164 IonicContact NH2-OE2 2.69Å; R137-E164 PolarHBondContact NH2-OE2 2.97Å; R137-E164 VanDerWaalsContact NH2-OE2 3.08Å; R137-R167 PolarHBondContact NH1-O 3.31Å; R137-V168 HydrophobicContact CB-CB 4.4Å; R137-V168 HydrophobicContact CB-CG1 3.89Å; R137-V168 WeakPolarHBondContact O-CA 3.4Å; R137-W169 PolarHBondContact O-N 3.34Å; R137-R224 PolarHBondContact NH2-O 2.89Å; R137-F241 WeakPolarHBondContact CA-O 3.37Å; R137-D242 IonicContact NE-OD1 2.82Å; R137-G299 PolarHBondContact N-O 3.02Å; R137-F301 HydrophobicContact CG-CE2 4.46Å |
| 138 | L | 98.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 146.2 | 172.9 | -57.4 | 179.1 | 0 | 0 | 0 | 109.9 | Y136 W169 L171 F175 F180 F240 F241 V243 M259 | Y136-L138 HydrophobicContact CD1-CD2 3.79Å; Y136-L138 HydrophobicContact CD1-CG 4.39Å; Y136-L138 HydrophobicContact CE1-CD2 3.65Å; L138-W169 HydrophobicContact CD2-CB 3.99Å; L138-W169 HydrophobicContact CD2-CD2 4.38Å; L138-W169 HydrophobicContact CD2-CE3 3.93Å; L138-W169 HydrophobicContact CD2-CG 4.45Å; L138-L171 HydrophobicContact CD1-CD1 4.24Å; L138-L171 HydrophobicContact CD2-CD1 4Å; L138-L171 HydrophobicContact CG-CD1 4.5Å; L138-F175 HydrophobicContact CD1-CE2 4.26Å; L138-F175 HydrophobicContact CD1-CZ 3.9Å; L138-F180 HydrophobicContact CD1-CE2 4Å; L138-F180 HydrophobicContact CD1-CZ 4.24Å; L138-F240 CarbonylContact O-C 3.56Å; L138-F240 VanDerWaalsContact O-CA 3.3Å; L138-F240 WeakPolarHBondContact O-CA 3.23Å; L138-F241 HydrophobicContact CB-CB 4.25Å; L138-F241 PolarHBondContact N-O 2.89Å; L138-F241 PolarHBondContact O-N 3.45Å; L138-V243 HydrophobicContact CD1-CG2 4.36Å; L138-M259 HydrophobicContact CD1-CE 4.07Å; L138-M259 HydrophobicContact CD2-CE 3.76Å; L138-M259 HydrophobicContact CG-CE 4.14Å |
| 139 | A | 98.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 105.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | L160 V168 W169 A170 L171 F238 F240 | A139-L160 HydrophobicContact CB-CD2 3.85Å; A139-V168 HydrophobicContact CB-CB 4.19Å; A139-V168 HydrophobicContact CB-CG2 3.82Å; A139-W169 PolarHBondContact N-O 3.23Å; A139-A170 CarbonylContact O-C 3.49Å; A139-A170 VanDerWaalsContact O-CA 3.3Å; A139-A170 WeakPolarHBondContact O-CA 3.27Å; A139-L171 PolarHBondContact O-N 2.82Å; A139-F238 HydrophobicContact CB-CB 4.21Å; A139-F238 HydrophobicContact CB-CD1 3.8Å; A139-F238 HydrophobicContact CB-CE1 4.45Å; A139-F238 HydrophobicContact CB-CG 4.12Å; A139-F240 HydrophobicContact CB-CD1 3.89Å; A139-F240 HydrophobicContact CB-CE1 3.68Å; A139-F240 HydrophobicContact CB-CZ 4.37Å |
| 140 | V | 97.8 | Very high | 90 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 120.5 | -177.7 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | L171 F175 F238 N239 F241 | V140-L171 HydrophobicContact CG2-CB 4.23Å; V140-L171 HydrophobicContact CG2-CD1 4.16Å; V140-F175 HydrophobicContact CG1-CB 3.73Å; V140-F175 HydrophobicContact CG1-CD1 4.28Å; V140-F175 HydrophobicContact CG1-CG 4.17Å; V140-F175 HydrophobicContact CG2-CB 4.37Å; V140-F175 HydrophobicContact CG2-CD1 3.83Å; V140-F175 HydrophobicContact CG2-CD2 4.38Å; V140-F175 HydrophobicContact CG2-CE1 4.17Å; V140-F175 HydrophobicContact CG2-CG 3.94Å; V140-F238 CarbonylContact O-C 3.51Å; V140-F238 VanDerWaalsContact O-CA 3.25Å; V140-F238 WeakPolarHBondContact O-CA 3.5Å; V140-N239 PolarHBondContact N-O 3.25Å; V140-N239 PolarHBondContact O-N 2.94Å; V140-F241 HydrophobicContact CB-CE2 4.15Å; V140-F241 HydrophobicContact CG2-CD2 3.89Å; V140-F241 HydrophobicContact CG2-CE2 3.83Å |
| 141 | L | 95.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 138 | 178.9 | -163.6 | 64.2 | 0 | 0 | 0 | 110 | F145 D146 Q159 L171 S173 R237 F238 | L141-F145 HydrophobicContact CD1-CB 3.88Å; L141-F145 WeakPolarHBondContact CD2-O 3.32Å; L141-F145 HydrophobicContact CG-CB 4.16Å; L141-D146 HydrophobicContact CD2-CB 3.74Å; L141-D146 HydrophobicContact CG-CB 4.19Å; L141-Q159 HydrophobicContact CD1-CB 4.42Å; L141-L171 WeakPolarHBondContact CB-O 3.48Å; L141-L171 PolarHBondContact N-O 3.47Å; L141-S173 WeakPolarHBondContact O-CA 3.28Å; L141-S173 WeakPolarHBondContact O-CB 3.08Å; L141-R237 HydrophobicContact CD1-CB 4.22Å; L141-F238 HydrophobicContact CB-CD1 4.27Å; L141-F238 HydrophobicContact CB-CE1 4.09Å; L141-F238 HydrophobicContact CD1-CD1 4.18Å; L141-F238 HydrophobicContact CD1-CE1 3.69Å; L141-F238 HydrophobicContact CD1-CE2 4.12Å; L141-F238 HydrophobicContact CD1-CZ 3.66Å; L141-F238 HydrophobicContact CG-CE1 4.5Å |
| 142 | K | 94.7 | Very high | 86.2 | Confident | 54 Ų | 54 | 61.8 Ų | 61.8 | 24% | 0.235 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 148.2 | 173.5 | -59.2 | 175.3 | -176.9 | 171.5 | 0 | 109.4 | S144 F145 D146 D236 R237 N239 | K142-S144 PolarHBondContact O-N 3.42Å; K142-S144 VanDerWaalsContact O-N 3.13Å; K142-F145 HydrophobicContact CB-CD2 4.1Å; K142-F145 PolarHBondContact O-N 3.37Å; K142-D146 PolarHBondContact O-N 3.27Å; K142-D236 VanDerWaalsContact CD-O 3.29Å; K142-D236 WeakPolarHBondContact CD-O 3.42Å; K142-D236 WeakPolarHBondContact CE-O 3.43Å; K142-D236 PolarHBondContact NZ-O 3.2Å; K142-D236 IonicContact NZ-OD1 3.69Å; K142-D236 PolarHBondContact NZ-OD1 3.06Å; K142-R237 PolarHBondContact N-O 2.81Å; K142-N239 WeakPolarHBondContact CE-OD1 3.43Å |
| 143 | D | 92.1 | Very high | 84.4 | Confident | 114 Ų | 114 | 63.6 Ų | 63.6 | 61% | 0.61 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -51.8 | -40.4 | -175.3 | -63.9 | -42.1 | 0 | 0 | 0 | 113.5 | F145 D146 S173 | D143-F145 PolarHBondContact O-N 2.96Å; D143-D146 PolarHBondContact O-N 2.91Å; D143-S173 WeakPolarHBondContact OD1-CB 3.41Å; D143-S173 PolarHBondContact OD1-OG 3.44Å |
| 144 | S | 91 | Very high | 83.1 | Confident | 75 Ų | 75 | 64 Ų | 64 | 52% | 0.524 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -65.2 | -8.6 | 179.3 | 63.9 | 0 | 0 | 0 | 0 | 115.1 | K142 | K142-S144 PolarHBondContact O-N 3.42Å; K142-S144 VanDerWaalsContact O-N 3.13Å |
| 145 | F | 90 | Very high | 82.6 | Confident | 72 Ų | 72 | 64.9 Ų | 64.9 | 32% | 0.316 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -118.3 | 0 | 175.2 | -56.7 | -75.5 | 0 | 0 | 0 | 112 | L141 K142 D143 E147 Q159 R237 | L141-F145 HydrophobicContact CD1-CB 3.88Å; L141-F145 WeakPolarHBondContact CD2-O 3.32Å; L141-F145 HydrophobicContact CG-CB 4.16Å; K142-F145 HydrophobicContact CB-CD2 4.1Å; K142-F145 PolarHBondContact O-N 3.37Å; D143-F145 PolarHBondContact O-N 2.96Å; F145-E147 VanDerWaalsContact C-N 3.34Å; F145-Q159 PolarHBondContact O-NE2 3.41Å; F145-Q159 VanDerWaalsContact O-NE2 3.13Å; F145-R237 HydrophobicContact CB-CB 4.39Å; F145-R237 HydrophobicContact CD1-CB 4.46Å; F145-R237 HydrophobicContact CD1-CG 3.83Å; F145-R237 HydrophobicContact CD2-CB 3.89Å; F145-R237 HydrophobicContact CD2-CG 4.03Å; F145-R237 HydrophobicContact CE1-CG 3.93Å; F145-R237 HydrophobicContact CE2-CB 4.26Å; F145-R237 HydrophobicContact CE2-CG 4.14Å; F145-R237 HydrophobicContact CG-CB 3.99Å; F145-R237 HydrophobicContact CG-CG 3.87Å; F145-R237 HydrophobicContact CZ-CG 4.08Å |
| 146 | D | 88.2 | Confident | 82.3 | Confident | 32 Ų | 32 | 64.8 Ų | 64.8 | 17% | 0.171 | 34% | 0.335 | C | S | . | . | trans | -103.2 | 42.1 | 174.4 | -157.2 | -16.5 | 0 | 0 | 0 | 110.2 | L141 K142 D143 R172 S173 | L141-D146 HydrophobicContact CD2-CB 3.74Å; L141-D146 HydrophobicContact CG-CB 4.19Å; K142-D146 PolarHBondContact O-N 3.27Å; D143-D146 PolarHBondContact O-N 2.91Å; D146-R172 IonicContact OD1-CZ 2.98Å; D146-R172 IonicContact OD1-NE 2.77Å; D146-R172 PolarHBondContact OD1-NE 2.94Å; D146-R172 IonicContact OD1-NH2 2.64Å; D146-R172 PolarHBondContact OD1-NH2 2.93Å; D146-R172 WeakPolarHBondContact OD2-CA 3.34Å; D146-R172 WeakPolarHBondContact OD2-CB 3.1Å; D146-R172 IonicContact OD2-NE 3.14Å; D146-R172 PolarHBondContact OD2-NE 2.63Å; D146-R172 VanDerWaalsContact OD2-NE 3.14Å; D146-S173 WeakPolarHBondContact OD2-CB 3.21Å; D146-S173 PolarHBondContact OD2-N 3.38Å; D146-S173 PolarHBondContact OD2-OG 3.2Å | ||
| 147 | E | 75.3 | Confident | 82 | Confident | 143 Ų | 143 | 68.2 Ų | 68.2 | 67% | 0.668 | 35% | 0.351 | S | S | * | . | trans | -115.2 | 100.5 | 175.5 | -67.2 | 179.4 | -166.8 | 0 | 0 | 107.3 | F145 | F145-E147 VanDerWaalsContact C-N 3.34Š| ||
| 148 | D | 61.4 | Low | 81.6 | Confident | 96 Ų | 96 | 72.9 Ų | 72.9 | 51% | 0.513 | 37% | 0.374 | S | S | . | . | trans | -166.4 | 134.8 | 161 | -99 | -46.2 | 0 | 0 | 0 | 112.1 | D150 N154 | D148-D150 PolarHBondContact O-N 3.37Å; D148-N154 HydrophobicContact CB-CB 3.97Å; D148-N154 VanDerWaalsContact CB-CG 3.48Å; D148-N154 WeakPolarHBondContact CB-ND2 3.42Å; D148-N154 PolarHBondContact OD2-ND2 2.78Å; D148-N154 PolarHBondContact OD2-OD1 3.36Å | ||
| 149 | E | 59.8 | Low | 81.3 | Confident | 211 Ų | 211 | 73.5 Ų | 73.5 | 99% | 0.986 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -70.6 | -16.1 | 172.8 | -68.9 | -179.2 | 165.5 | 0 | 0 | 112.2 | Y151 | E149-Y151 PolarHBondContact O-N 3.36Š|
| 150 | D | 59.7 | Low | 81.1 | Confident | 92 Ų | 92 | 74.3 Ų | 74.3 | 49% | 0.492 | 38% | 0.381 | S | S | . | . | trans | -95.1 | 91.6 | 175.4 | -162.8 | -16.7 | 0 | 0 | 0 | 111.4 | D148 V152 A153 N154 | D148-D150 PolarHBondContact O-N 3.37Å; D150-V152 PolarHBondContact O-N 2.84Å; D150-V152 PolarHBondContact OD1-N 2.89Å; D150-A153 HydrophobicContact CB-CB 4.12Å; D150-A153 PolarHBondContact O-N 2.89Å; D150-N154 PolarHBondContact O-N 2.94Å; D150-N154 PolarHBondContact O-ND2 3.09Å; D150-N154 VanDerWaalsContact O-ND2 3.13Å | ||
| 151 | Y | 57.5 | Low | 81 | Confident | 185 Ų | 185 | 74 Ų | 74 | 73% | 0.725 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -31.9 | -178 | -171.2 | -97.1 | 0 | 0 | 0 | 113.4 | E149 | E149-Y151 PolarHBondContact O-N 3.36Š|
| 152 | V | 58 | Low | 81 | Confident | 112 Ų | 112 | 80.5 Ų | 80.5 | 68% | 0.679 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -39.6 | -174.7 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | D150 N154 | D150-V152 PolarHBondContact O-N 2.84Å; D150-V152 PolarHBondContact OD1-N 2.89Å; V152-N154 PolarHBondContact O-N 3.14Å |
| 153 | A | 61.1 | Low | 81 | Confident | 54 Ų | 54 | 80.9 Ų | 80.9 | 45% | 0.446 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -28.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D150 | D150-A153 HydrophobicContact CB-CB 4.12Å; D150-A153 PolarHBondContact O-N 2.89Å |
| 154 | N | 71.5 | Confident | 81.2 | Confident | 25 Ų | 25 | 75.6 Ų | 75.6 | 13% | 0.134 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 38.2 | -167.1 | -66.4 | -62.7 | 0 | 0 | 0 | 115.7 | D148 D150 V152 R172 | D148-N154 HydrophobicContact CB-CB 3.97Å; D148-N154 VanDerWaalsContact CB-CG 3.48Å; D148-N154 WeakPolarHBondContact CB-ND2 3.42Å; D148-N154 PolarHBondContact OD2-ND2 2.78Å; D148-N154 PolarHBondContact OD2-OD1 3.36Å; D150-N154 PolarHBondContact O-N 2.94Å; D150-N154 PolarHBondContact O-ND2 3.09Å; D150-N154 VanDerWaalsContact O-ND2 3.13Å; V152-N154 PolarHBondContact O-N 3.14Å; N154-R172 PolarHBondContact O-NH1 2.88Å |
| 155 | S | 87 | Confident | 81.5 | Confident | 38 Ų | 38 | 77.7 Ų | 77.7 | 27% | 0.266 | 39% | 0.386 | S | S | . | . | trans | -58.3 | 136.5 | 167.4 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | E157 H158 Q159 | S155-E157 PolarHBondContact O-N 3.27Å; S155-E157 VanDerWaalsContact O-N 3.14Å; S155-E157 PolarHBondContact OG-N 3.35Å; S155-H158 WeakPolarHBondContact O-CB 3.5Å; S155-H158 PolarHBondContact O-N 2.85Å; S155-Q159 PolarHBondContact O-N 2.91Å | ||
| 156 | P | 92.7 | Very high | 81.8 | Confident | 13 Ų | 13 | 77.9 Ų | 77.9 | 8% | 0.084 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -51.5 | -35.9 | 172.6 | -30.8 | 38.7 | 0 | 0 | 0 | 113 | H158 Q159 L160 A170 R172 F238 | P156-H158 VanDerWaalsContact C-N 3.32Å; P156-H158 PolarHBondContact O-N 2.85Å; P156-Q159 PolarHBondContact O-N 3.3Å; P156-L160 PolarHBondContact O-N 3.41Å; P156-A170 HydrophobicContact CB-CB 3.61Å; P156-R172 HydrophobicContact CG-CG 3.84Å; P156-F238 HydrophobicContact CB-CE1 4.41Å; P156-F238 WeakPolarHBondContact O-CZ 3.34Å |
| 157 | E | 92.6 | Very high | 82.2 | Confident | 72 Ų | 72 | 80.2 Ų | 80.2 | 34% | 0.336 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.4 | -36.2 | 177.4 | -71.8 | -72.6 | 165.1 | 0 | 0 | 112.4 | S155 Q159 L160 A170 | S155-E157 PolarHBondContact O-N 3.27Å; S155-E157 VanDerWaalsContact O-N 3.14Å; S155-E157 PolarHBondContact OG-N 3.35Å; E157-Q159 PolarHBondContact O-N 2.94Å; E157-L160 PolarHBondContact O-N 3.23Å; E157-L160 WeakPolarHBondContact OE2-CD1 3.41Å; E157-A170 HydrophobicContact CG-CB 4.23Å |
| 158 | H | 91 | Very high | 83.3 | Confident | 134 Ų | 134 | 73.5 Ų | 73.5 | 62% | 0.62 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -72.2 | -20.3 | 178.8 | -60.8 | 168.6 | 0 | 0 | 0 | 112.8 | S155 P156 | S155-H158 WeakPolarHBondContact O-CB 3.5Å; S155-H158 PolarHBondContact O-N 2.85Å; P156-H158 VanDerWaalsContact C-N 3.32Å; P156-H158 PolarHBondContact O-N 2.85Å |
| 159 | Q | 92.3 | Very high | 85.1 | Confident | 13 Ų | 13 | 70.8 Ų | 70.8 | 6% | 0.061 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -93.6 | -10.2 | 179.2 | -60.7 | -159.8 | 52 | 0 | 0 | 113 | L141 F145 S155 P156 E157 F238 | L141-Q159 HydrophobicContact CD1-CB 4.42Å; F145-Q159 PolarHBondContact O-NE2 3.41Å; F145-Q159 VanDerWaalsContact O-NE2 3.13Å; S155-Q159 PolarHBondContact O-N 2.91Å; P156-Q159 PolarHBondContact O-N 3.3Å; E157-Q159 PolarHBondContact O-N 2.94Å; Q159-F238 HydrophobicContact CB-CE2 4.14Å; Q159-F238 HydrophobicContact CB-CZ 3.85Å; Q159-F238 WeakPolarHBondContact O-CE2 3.35Å |
| 160 | L | 94.2 | Very high | 86.9 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 9% | 0.089 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -59.5 | 141.4 | -178.6 | -81.3 | -179.1 | 0 | 0 | 0 | 111.8 | A139 P156 E157 I162 V168 A170 F238 | A139-L160 HydrophobicContact CB-CD2 3.85Å; P156-L160 PolarHBondContact O-N 3.41Å; E157-L160 PolarHBondContact O-N 3.23Å; E157-L160 WeakPolarHBondContact OE2-CD1 3.41Å; L160-I162 PolarHBondContact O-N 3.02Å; L160-V168 HydrophobicContact CD1-CG2 3.88Å; L160-V168 HydrophobicContact CD2-CG2 3.75Å; L160-A170 HydrophobicContact CD1-CB 3.89Å; L160-A170 HydrophobicContact CD2-CB 3.95Å; L160-A170 HydrophobicContact CG-CB 3.85Å; L160-F238 HydrophobicContact CD2-CE1 4.1Å; L160-F238 HydrophobicContact CD2-CE2 4.14Å; L160-F238 HydrophobicContact CD2-CZ 3.91Å; L160-F238 HydrophobicContact CG-CZ 4.32Å |
| 161 | P | 95.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | trans | -54.1 | 133.9 | 162.4 | -23.2 | 33.8 | 0 | 0 | 0 | 110.4 | L163 E164 Y165 F234 | P161-L163 PolarHBondContact O-N 3.49Å; P161-E164 HydrophobicContact CB-CG 4.14Å; P161-E164 HydrophobicContact CG-CG 4.28Å; P161-E164 PolarHBondContact O-N 3.31Å; P161-Y165 PolarHBondContact O-N 3.3Å; P161-F234 HydrophobicContact CG-CB 4.15Å | ||
| 162 | I | 94.9 | Very high | 90.4 | Very high | 136 Ų | 136 | 51.3 Ų | 51.3 | 70% | 0.697 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -28.3 | -176.9 | -169.6 | 58.1 | 0 | 0 | 0 | 113.3 | L160 E164 Y165 | L160-I162 PolarHBondContact O-N 3.02Å; I162-E164 VanDerWaalsContact C-N 3.31Å; I162-E164 PolarHBondContact O-N 2.91Å; I162-Y165 WeakPolarHBondContact O-CB 3.48Å; I162-Y165 PolarHBondContact O-N 2.95Å |
| 163 | L | 95.6 | Very high | 92.1 | Very high | 63 Ų | 63 | 47.2 Ų | 47.2 | 33% | 0.33 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -20.8 | 176.9 | -66.2 | 172.6 | 0 | 0 | 0 | 113.5 | P161 R167 L226 L227 | P161-L163 PolarHBondContact O-N 3.49Å; L163-R167 WeakPolarHBondContact O-CD 3.07Å; L163-R167 PolarHBondContact O-NH1 2.82Å; L163-L226 HydrophobicContact CB-CD2 4.15Å; L163-L226 HydrophobicContact CD1-CD2 4.18Å; L163-L226 HydrophobicContact CD2-CD2 4.4Å; L163-L226 HydrophobicContact CG-CD2 4.48Å; L163-L227 HydrophobicContact CD1-CB 4.27Å; L163-L227 HydrophobicContact CD1-CD1 3.3Å; L163-L227 HydrophobicContact CD1-CG 3.53Å |
| 164 | E | 97.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -9.4 | 176.7 | -60 | -60 | 155.1 | 0 | 0 | 112.6 | R137 P161 I162 Q166 R167 V168 P225 L226 F240 | R137-E164 IonicContact CZ-OE2 3.12Å; R137-E164 IonicContact NH1-OE2 2.77Å; R137-E164 PolarHBondContact NH1-OE2 2.94Å; R137-E164 IonicContact NH2-OE1 3.73Å; R137-E164 IonicContact NH2-OE2 2.69Å; R137-E164 PolarHBondContact NH2-OE2 2.97Å; R137-E164 VanDerWaalsContact NH2-OE2 3.08Å; P161-E164 HydrophobicContact CB-CG 4.14Å; P161-E164 HydrophobicContact CG-CG 4.28Å; P161-E164 PolarHBondContact O-N 3.31Å; I162-E164 VanDerWaalsContact C-N 3.31Å; I162-E164 PolarHBondContact O-N 2.91Å; E164-Q166 PolarHBondContact O-N 2.79Å; E164-R167 WeakPolarHBondContact O-CB 3.35Å; E164-R167 PolarHBondContact O-N 2.73Å; E164-V168 HydrophobicContact CB-CG1 4.38Å; E164-V168 HydrophobicContact CB-CG2 4.14Å; E164-V168 WeakPolarHBondContact OE2-CG1 3.25Å; E164-P225 WeakPolarHBondContact OE1-CA 3.16Å; E164-L226 PolarHBondContact OE1-N 2.73Å; E164-F240 HydrophobicContact CG-CE1 3.96Å; E164-F240 HydrophobicContact CG-CZ 4.16Å |
| 165 | Y | 95.7 | Very high | 94.9 | Very high | 118 Ų | 118 | 49.6 Ų | 49.6 | 46% | 0.463 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 130.2 | 175.3 | -179.6 | -114.1 | 0 | 0 | 0 | 110.7 | P161 I162 R167 | P161-Y165 PolarHBondContact O-N 3.3Å; I162-Y165 WeakPolarHBondContact O-CB 3.48Å; I162-Y165 PolarHBondContact O-N 2.95Å; Y165-R167 PolarHBondContact O-N 2.69Å; Y165-R167 PolarHBondContact O-NH1 3.04Å |
| 166 | Q | 96.3 | Very high | 95.5 | Very high | 76 Ų | 76 | 50.7 Ų | 50.7 | 36% | 0.355 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 29.2 | -173.2 | -60.3 | 178.6 | -19.3 | 0 | 0 | 114.8 | S13 H75 E164 A298 | S13-Q166 PolarHBondContact OG-OE1 3.48Å; H75-Q166 PolarHBondContact CE1-O 2.88Å; H75-Q166 VanDerWaalsContact CE1-O 3.23Å; H75-Q166 PolarHBondContact NE2-O 2.88Å; E164-Q166 PolarHBondContact O-N 2.79Å; Q166-A298 HydrophobicContact CB-CB 4.36Å |
| 167 | R | 97.7 | Very high | 95.7 | Very high | 81 Ų | 81 | 52.8 Ų | 52.8 | 31% | 0.306 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.3 | -2.5 | 176.5 | -61.2 | -177.6 | -178.6 | 76.6 | 10 | 114.2 | R137 L163 E164 Y165 A298 F301 | R137-R167 PolarHBondContact NH1-O 3.31Å; L163-R167 WeakPolarHBondContact O-CD 3.07Å; L163-R167 PolarHBondContact O-NH1 2.82Å; E164-R167 WeakPolarHBondContact O-CB 3.35Å; E164-R167 PolarHBondContact O-N 2.73Å; Y165-R167 PolarHBondContact O-N 2.69Å; Y165-R167 PolarHBondContact O-NH1 3.04Å; R167-A298 CarbonylContact C-O 3.49Å; R167-A298 VanDerWaalsContact C-O 3.25Å; R167-A298 WeakPolarHBondContact CA-O 3.47Å; R167-F301 HydrophobicContact CB-CZ 4.19Å; R167-F301 WeakPolarHBondContact O-CE2 3.36Å |
| 168 | V | 98.4 | Very high | 96 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -145.2 | 164.2 | -179.2 | -58.3 | 0 | 0 | 0 | 0 | 109.3 | R137 A139 L160 E164 F240 | R137-V168 HydrophobicContact CB-CB 4.4Å; R137-V168 HydrophobicContact CB-CG1 3.89Å; R137-V168 WeakPolarHBondContact O-CA 3.4Å; A139-V168 HydrophobicContact CB-CB 4.19Å; A139-V168 HydrophobicContact CB-CG2 3.82Å; L160-V168 HydrophobicContact CD1-CG2 3.88Å; L160-V168 HydrophobicContact CD2-CG2 3.75Å; E164-V168 HydrophobicContact CB-CG1 4.38Å; E164-V168 HydrophobicContact CB-CG2 4.14Å; E164-V168 WeakPolarHBondContact OE2-CG1 3.25Å; V168-F240 HydrophobicContact CG1-CD1 4.39Å; V168-F240 HydrophobicContact CG1-CE1 4.32Å |
| 169 | W | 98.3 | Very high | 96.3 | Very high | 39 Ų | 39 | 54.1 Ų | 54.1 | 15% | 0.148 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 113.1 | 161.4 | -177.9 | 8.8 | 0 | 0 | 0 | 109.1 | Y136 R137 L138 A139 L171 V263 A295 P296 | Y136-W169 HydrophobicContact CE1-CB 3.72Å; Y136-W169 HydrophobicContact CE1-CD2 4.49Å; Y136-W169 AromaticContact CE1-CE3 3.83Å; Y136-W169 HydrophobicContact CE1-CE3 3.83Å; Y136-W169 AromaticContact CZ-CE3 3.93Å; R137-W169 PolarHBondContact O-N 3.34Å; L138-W169 HydrophobicContact CD2-CB 3.99Å; L138-W169 HydrophobicContact CD2-CD2 4.38Å; L138-W169 HydrophobicContact CD2-CE3 3.93Å; L138-W169 HydrophobicContact CD2-CG 4.45Å; A139-W169 PolarHBondContact N-O 3.23Å; W169-L171 HydrophobicContact CD2-CD2 4.02Å; W169-L171 HydrophobicContact CG-CD2 4.3Å; W169-L171 HydrophobicContact CZ2-CD2 3.93Å; W169-V263 HydrophobicContact CE3-CG2 3.98Å; W169-V263 HydrophobicContact CH2-CB 3.76Å; W169-V263 HydrophobicContact CH2-CG1 3.86Å; W169-V263 HydrophobicContact CH2-CG2 3.76Å; W169-V263 HydrophobicContact CZ2-CG1 4.18Å; W169-V263 HydrophobicContact CZ3-CB 3.93Å; W169-V263 HydrophobicContact CZ3-CG1 4.35Å; W169-V263 HydrophobicContact CZ3-CG2 3.39Å; W169-A295 HydrophobicContact CE3-CB 3.76Å; W169-A295 HydrophobicContact CH2-CB 4.09Å; W169-A295 HydrophobicContact CZ3-CB 3.4Å; W169-P296 VanDerWaalsContact CD2-CD 3.43Å; W169-P296 HydrophobicContact CD2-CG 4.09Å; W169-P296 HydrophobicContact CG-CG 3.89Å |
| 170 | A | 97.3 | Very high | 96.7 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 7% | 0.066 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 134.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A139 P156 E157 L160 | A139-A170 CarbonylContact O-C 3.49Å; A139-A170 VanDerWaalsContact O-CA 3.3Å; A139-A170 WeakPolarHBondContact O-CA 3.27Å; P156-A170 HydrophobicContact CB-CB 3.61Å; E157-A170 HydrophobicContact CG-CB 4.23Å; L160-A170 HydrophobicContact CD1-CB 3.89Å; L160-A170 HydrophobicContact CD2-CB 3.95Å; L160-A170 HydrophobicContact CG-CB 3.85Å |
| 171 | L | 96.4 | Very high | 96.9 | Very high | 16 Ų | 16 | 54.9 Ų | 54.9 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 153.2 | -176.5 | -64.5 | 174 | 0 | 0 | 0 | 110.4 | L138 A139 V140 L141 W169 F175 V263 | L138-L171 HydrophobicContact CD1-CD1 4.24Å; L138-L171 HydrophobicContact CD2-CD1 4Å; L138-L171 HydrophobicContact CG-CD1 4.5Å; A139-L171 PolarHBondContact O-N 2.82Å; V140-L171 HydrophobicContact CG2-CB 4.23Å; V140-L171 HydrophobicContact CG2-CD1 4.16Å; L141-L171 WeakPolarHBondContact CB-O 3.48Å; L141-L171 PolarHBondContact N-O 3.47Å; W169-L171 HydrophobicContact CD2-CD2 4.02Å; W169-L171 HydrophobicContact CG-CD2 4.3Å; W169-L171 HydrophobicContact CZ2-CD2 3.93Å; L171-F175 HydrophobicContact CD1-CD2 3.84Å; L171-F175 HydrophobicContact CD1-CE2 3.82Å; L171-V263 HydrophobicContact CD1-CG1 4.04Å; L171-V263 HydrophobicContact CD1-CG2 3.99Å; L171-V263 HydrophobicContact CD2-CG1 3.75Å |
| 172 | R | 94.3 | Very high | 97 | Very high | 56 Ų | 56 | 58.2 Ų | 58.2 | 21% | 0.211 | 29% | 0.285 | C | S | . | . | trans | -69.1 | 166.1 | 170.1 | -63.8 | -63 | -79.2 | -131.5 | -1.9 | 110.9 | D146 N154 P156 N174 | D146-R172 IonicContact OD1-CZ 2.98Å; D146-R172 IonicContact OD1-NE 2.77Å; D146-R172 PolarHBondContact OD1-NE 2.94Å; D146-R172 IonicContact OD1-NH2 2.64Å; D146-R172 PolarHBondContact OD1-NH2 2.93Å; D146-R172 WeakPolarHBondContact OD2-CA 3.34Å; D146-R172 WeakPolarHBondContact OD2-CB 3.1Å; D146-R172 IonicContact OD2-NE 3.14Å; D146-R172 PolarHBondContact OD2-NE 2.63Å; D146-R172 VanDerWaalsContact OD2-NE 3.14Å; N154-R172 PolarHBondContact O-NH1 2.88Å; P156-R172 HydrophobicContact CG-CG 3.84Å; R172-N174 VanDerWaalsContact CB-OD1 3.29Å; R172-N174 WeakPolarHBondContact CB-OD1 3.28Å; R172-N174 PolarHBondContact O-N 3.23Å | ||
| 173 | S | 94.4 | Very high | 97.2 | Very high | 26 Ų | 26 | 51.8 Ų | 51.8 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -72 | -16.9 | -175.6 | 82.2 | 0 | 0 | 0 | 0 | 113.9 | L141 D143 D146 F175 | L141-S173 WeakPolarHBondContact O-CA 3.28Å; L141-S173 WeakPolarHBondContact O-CB 3.08Å; D143-S173 WeakPolarHBondContact OD1-CB 3.41Å; D143-S173 PolarHBondContact OD1-OG 3.44Å; D146-S173 WeakPolarHBondContact OD2-CB 3.21Å; D146-S173 PolarHBondContact OD2-N 3.38Å; D146-S173 PolarHBondContact OD2-OG 3.2Å; S173-F175 PolarHBondContact O-N 3.21Å |
| 174 | N | 94.5 | Very high | 97.3 | Very high | 105 Ų | 105 | 48.9 Ų | 48.9 | 56% | 0.561 | 24% | 0.237 | S | C | * | . | trans | -70.1 | 57.9 | 174.5 | 67.3 | -12.9 | 0 | 0 | 0 | 113.1 | R172 T267 | R172-N174 VanDerWaalsContact CB-OD1 3.29Å; R172-N174 WeakPolarHBondContact CB-OD1 3.28Å; R172-N174 PolarHBondContact O-N 3.23Å; N174-T267 VanDerWaalsContact O-CG2 3.31Å; N174-T267 WeakPolarHBondContact O-CG2 3.39Å | ||
| 175 | F | 97.6 | Very high | 97.4 | Very high | 24 Ų | 24 | 54.6 Ų | 54.6 | 11% | 0.105 | 26% | 0.264 | C | S | . | . | trans | -133.6 | 111.1 | -173.9 | -177.8 | -86.5 | 0 | 0 | 0 | 110.6 | L138 V140 L171 S173 I177 F180 V263 A266 | L138-F175 HydrophobicContact CD1-CE2 4.26Å; L138-F175 HydrophobicContact CD1-CZ 3.9Å; V140-F175 HydrophobicContact CG1-CB 3.73Å; V140-F175 HydrophobicContact CG1-CD1 4.28Å; V140-F175 HydrophobicContact CG1-CG 4.17Å; V140-F175 HydrophobicContact CG2-CB 4.37Å; V140-F175 HydrophobicContact CG2-CD1 3.83Å; V140-F175 HydrophobicContact CG2-CD2 4.38Å; V140-F175 HydrophobicContact CG2-CE1 4.17Å; V140-F175 HydrophobicContact CG2-CG 3.94Å; L171-F175 HydrophobicContact CD1-CD2 3.84Å; L171-F175 HydrophobicContact CD1-CE2 3.82Å; S173-F175 PolarHBondContact O-N 3.21Å; F175-I177 HydrophobicContact CE1-CB 4.36Å; F175-I177 HydrophobicContact CE1-CD1 4.05Å; F175-F180 HydrophobicContact CE1-CB 4.32Å; F175-F180 HydrophobicContact CE1-CD2 4.43Å; F175-F180 AromaticContact CE2-CD2 3.74Å; F175-F180 HydrophobicContact CE2-CD2 3.74Å; F175-F180 HydrophobicContact CE2-CE2 4.3Å; F175-F180 HydrophobicContact CZ-CB 3.96Å; F175-F180 AromaticContact CZ-CD2 3.34Å; F175-F180 HydrophobicContact CZ-CD2 3.34Å; F175-F180 AromaticContact CZ-CE2 3.99Å; F175-F180 HydrophobicContact CZ-CE2 3.99Å; F175-F180 AromaticContact CZ-CG 3.79Å; F175-F180 HydrophobicContact CZ-CG 3.79Å; F175-V263 HydrophobicContact CE2-CG2 4.19Å; F175-A266 HydrophobicContact CD1-CB 4.48Å; F175-A266 HydrophobicContact CD2-CB 3.51Å; F175-A266 HydrophobicContact CE1-CB 4.39Å; F175-A266 HydrophobicContact CE2-CB 3.4Å; F175-A266 VanDerWaalsContact CE2-CB 3.4Å; F175-A266 HydrophobicContact CG-CB 4.08Å; F175-A266 HydrophobicContact CZ-CB 3.89Å | ||
| 176 | D | 98.3 | Very high | 97.5 | Very high | 60 Ų | 60 | 49.7 Ų | 49.7 | 32% | 0.321 | 25% | 0.248 | S | C | . | . | trans | -90.8 | 108 | 176.3 | -176.1 | -26.5 | 0 | 0 | 0 | 110.8 | Q178 R179 F180 A266 | D176-Q178 VanDerWaalsContact C-N 3.3Å; D176-Q178 PolarHBondContact O-N 3.15Å; D176-Q178 WeakPolarHBondContact OD1-CA 3Å; D176-Q178 WeakPolarHBondContact OD1-CB 3.43Å; D176-Q178 PolarHBondContact OD1-N 2.97Å; D176-R179 HydrophobicContact CB-CB 3.99Å; D176-R179 HydrophobicContact CB-CG 4.07Å; D176-R179 PolarHBondContact O-N 3.38Å; D176-R179 PolarHBondContact OD1-N 3.45Å; D176-R179 WeakPolarHBondContact OD2-CD 3.46Å; D176-R179 WeakPolarHBondContact OD2-CG 3.45Å; D176-F180 PolarHBondContact O-N 2.7Å; D176-A266 PolarHBondContact N-O 2.97Å; D176-A266 WeakPolarHBondContact O-CB 3.19Å | ||
| 177 | I | 98.1 | Very high | 97.6 | Very high | 57 Ų | 57 | 46.1 Ų | 46.1 | 29% | 0.292 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.4 | -31.1 | 178.5 | -172.3 | 60.7 | 0 | 0 | 0 | 113 | F175 F180 C181 V220 F241 | F175-I177 HydrophobicContact CE1-CB 4.36Å; F175-I177 HydrophobicContact CE1-CD1 4.05Å; I177-F180 HydrophobicContact CD1-CB 4.45Å; I177-F180 WeakPolarHBondContact O-CB 3.26Å; I177-F180 PolarHBondContact O-N 2.77Å; I177-C181 WeakPolarHBondContact O-CB 3.44Å; I177-C181 PolarHBondContact O-N 2.76Å; I177-C181 PolarHBondContact O-SG 3.35Å; I177-V220 HydrophobicContact CD1-CG1 3.84Å; I177-F241 HydrophobicContact CD1-CD1 3.81Å; I177-F241 HydrophobicContact CD1-CE1 3.71Å; I177-F241 HydrophobicContact CD1-CG 4.34Å; I177-F241 HydrophobicContact CD1-CZ 4.16Å; I177-F241 HydrophobicContact CG1-CD1 4.45Å; I177-F241 HydrophobicContact CG1-CE1 3.89Å; I177-F241 HydrophobicContact CG1-CZ 4.28Å |
| 178 | Q | 98.2 | Very high | 97.7 | Very high | 153 Ų | 153 | 44.5 Ų | 44.5 | 72% | 0.715 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -70.9 | -42.3 | 178.6 | -62.6 | -177.1 | -20.7 | 0 | 0 | 110.4 | D176 F180 C181 S182 | D176-Q178 VanDerWaalsContact C-N 3.3Å; D176-Q178 PolarHBondContact O-N 3.15Å; D176-Q178 WeakPolarHBondContact OD1-CA 3Å; D176-Q178 WeakPolarHBondContact OD1-CB 3.43Å; D176-Q178 PolarHBondContact OD1-N 2.97Å; Q178-F180 VanDerWaalsContact C-N 3.34Å; Q178-C181 PolarHBondContact O-N 3.1Å; Q178-S182 WeakPolarHBondContact O-CB 3.44Å; Q178-S182 PolarHBondContact O-N 2.8Å |
| 179 | R | 98.5 | Very high | 97.7 | Very high | 81 Ų | 81 | 45.5 Ų | 45.5 | 31% | 0.306 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 171.9 | -73 | -179.4 | 64.2 | 133.3 | 3 | 111.9 | D176 S182 A183 T265 N268 M270 | D176-R179 HydrophobicContact CB-CB 3.99Å; D176-R179 HydrophobicContact CB-CG 4.07Å; D176-R179 PolarHBondContact O-N 3.38Å; D176-R179 PolarHBondContact OD1-N 3.45Å; D176-R179 WeakPolarHBondContact OD2-CD 3.46Å; D176-R179 WeakPolarHBondContact OD2-CG 3.45Å; R179-S182 PolarHBondContact O-N 3.12Å; R179-A183 VanDerWaalsContact O-CB 3.32Å; R179-A183 WeakPolarHBondContact O-CB 3.49Å; R179-A183 PolarHBondContact O-N 2.7Å; R179-T265 PolarHBondContact NE-O 2.77Å; R179-T265 PolarHBondContact NH2-O 3.49Å; R179-N268 WeakPolarHBondContact CD-OD1 3.03Å; R179-N268 PolarHBondContact NE-OD1 3.28Å; R179-N268 VanDerWaalsContact NE-OD1 3.07Å; R179-N268 PolarHBondContact NH1-OD1 3.44Å; R179-N268 PolarHBondContact NH2-OD1 3.27Å; R179-M270 PolarHBondContact NH2-O 2.77Å |
| 180 | F | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.2 | -52.6 | 174.5 | -172.9 | -81.9 | 0 | 0 | 0 | 111.4 | L138 F175 D176 I177 Q178 A183 A184 V220 V243 M259 L262 V263 A266 | L138-F180 HydrophobicContact CD1-CE2 4Å; L138-F180 HydrophobicContact CD1-CZ 4.24Å; F175-F180 HydrophobicContact CE1-CB 4.32Å; F175-F180 HydrophobicContact CE1-CD2 4.43Å; F175-F180 AromaticContact CE2-CD2 3.74Å; F175-F180 HydrophobicContact CE2-CD2 3.74Å; F175-F180 HydrophobicContact CE2-CE2 4.3Å; F175-F180 HydrophobicContact CZ-CB 3.96Å; F175-F180 AromaticContact CZ-CD2 3.34Å; F175-F180 HydrophobicContact CZ-CD2 3.34Å; F175-F180 AromaticContact CZ-CE2 3.99Å; F175-F180 HydrophobicContact CZ-CE2 3.99Å; F175-F180 AromaticContact CZ-CG 3.79Å; F175-F180 HydrophobicContact CZ-CG 3.79Å; D176-F180 PolarHBondContact O-N 2.7Å; I177-F180 HydrophobicContact CD1-CB 4.45Å; I177-F180 WeakPolarHBondContact O-CB 3.26Å; I177-F180 PolarHBondContact O-N 2.77Å; Q178-F180 VanDerWaalsContact C-N 3.34Å; F180-A183 PolarHBondContact O-N 3.13Å; F180-A184 PolarHBondContact O-N 3.15Å; F180-V220 HydrophobicContact CD1-CG2 3.98Å; F180-V220 HydrophobicContact CE1-CG2 3.74Å; F180-V243 HydrophobicContact CE1-CG1 4.24Å; F180-V243 HydrophobicContact CE1-CG2 3.93Å; F180-V243 HydrophobicContact CZ-CG1 4.35Å; F180-V243 HydrophobicContact CZ-CG2 3.85Å; F180-M259 HydrophobicContact CE2-CE 4.04Å; F180-M259 HydrophobicContact CZ-CE 3.82Å; F180-M259 HydrophobicContact CZ-SD 4.04Å; F180-L262 HydrophobicContact CD2-CB 3.73Å; F180-L262 HydrophobicContact CE1-CB 4.39Å; F180-L262 HydrophobicContact CE1-CD1 4.09Å; F180-L262 HydrophobicContact CE2-CB 3.33Å; F180-L262 HydrophobicContact CE2-CD1 4.28Å; F180-L262 HydrophobicContact CE2-CG 4.4Å; F180-L262 HydrophobicContact CG-CB 4.44Å; F180-L262 HydrophobicContact CZ-CB 3.69Å; F180-L262 HydrophobicContact CZ-CD1 3.72Å; F180-L262 HydrophobicContact CZ-CG 4.31Å; F180-V263 HydrophobicContact CE2-CG2 4.13Å; F180-A266 HydrophobicContact CB-CB 3.95Å; F180-A266 HydrophobicContact CD2-CB 4.15Å |
| 181 | C | 98.4 | Very high | 97.7 | Very high | 46 Ų | 46 | 52.7 Ų | 52.7 | 31% | 0.311 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | -180 | -69.8 | 0 | 0 | 0 | 0 | 111.8 | I177 Q178 A183 A184 E185 | I177-C181 WeakPolarHBondContact O-CB 3.44Å; I177-C181 PolarHBondContact O-N 2.76Å; I177-C181 PolarHBondContact O-SG 3.35Å; Q178-C181 PolarHBondContact O-N 3.1Å; C181-A183 VanDerWaalsContact C-N 3.31Å; C181-A183 PolarHBondContact O-N 2.89Å; C181-A184 WeakPolarHBondContact O-CB 3.23Å; C181-A184 PolarHBondContact O-N 2.78Å; C181-A184 VanDerWaalsContact O-N 3.15Å; C181-E185 PolarHBondContact O-N 2.98Å |
| 182 | S | 97.7 | Very high | 97.8 | Very high | 73 Ų | 73 | 53.7 Ų | 53.7 | 51% | 0.51 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61 | -39.3 | 176.7 | -179.4 | 0 | 0 | 0 | 0 | 112.5 | Q178 R179 | Q178-S182 WeakPolarHBondContact O-CB 3.44Å; Q178-S182 PolarHBondContact O-N 2.8Å; R179-S182 PolarHBondContact O-N 3.12Å |
| 183 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.4 | -32.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R179 F180 C181 E185 A186 L262 T265 V272 I275 | R179-A183 VanDerWaalsContact O-CB 3.32Å; R179-A183 WeakPolarHBondContact O-CB 3.49Å; R179-A183 PolarHBondContact O-N 2.7Å; F180-A183 PolarHBondContact O-N 3.13Å; C181-A183 VanDerWaalsContact C-N 3.31Å; C181-A183 PolarHBondContact O-N 2.89Å; A183-E185 VanDerWaalsContact C-N 3.3Å; A183-E185 PolarHBondContact O-N 2.85Å; A183-A186 WeakPolarHBondContact O-CB 3.28Å; A183-A186 PolarHBondContact O-N 2.87Å; A183-L262 VanDerWaalsContact C-CD2 3.47Å; A183-L262 HydrophobicContact CB-CD2 3.67Å; A183-T265 HydrophobicContact CB-CG2 3.74Å; A183-V272 HydrophobicContact CB-CG2 4.12Å; A183-I275 HydrophobicContact CB-CD1 3.9Å |
| 184 | A | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 2% | 0.017 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F180 C181 A186 F187 I218 L262 | F180-A184 PolarHBondContact O-N 3.15Å; C181-A184 WeakPolarHBondContact O-CB 3.23Å; C181-A184 PolarHBondContact O-N 2.78Å; C181-A184 VanDerWaalsContact O-N 3.15Å; A184-A186 PolarHBondContact O-N 3.34Å; A184-F187 PolarHBondContact O-N 2.97Å; A184-F187 VanDerWaalsContact O-N 3.1Å; A184-I218 HydrophobicContact CB-CB 4.44Å; A184-I218 HydrophobicContact CB-CG2 3.95Å; A184-L262 HydrophobicContact CB-CD1 4.42Å; A184-L262 HydrophobicContact CB-CD2 4.04Å; A184-L262 VanDerWaalsContact N-CD2 3.33Å |
| 185 | E | 98.5 | Very high | 98.1 | Very high | 123 Ų | 123 | 44.8 Ų | 44.8 | 58% | 0.575 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -60.6 | -28.7 | 178.1 | -62.8 | -54.9 | 154.4 | 0 | 0 | 113.1 | C181 A183 F187 V188 | C181-E185 PolarHBondContact O-N 2.98Å; A183-E185 VanDerWaalsContact C-N 3.3Å; A183-E185 PolarHBondContact O-N 2.85Å; E185-F187 PolarHBondContact O-N 2.93Å; E185-F187 VanDerWaalsContact O-N 3.15Å; E185-V188 PolarHBondContact O-N 3.27Å |
| 186 | A | 98.4 | Very high | 98.1 | Very high | 16 Ų | 16 | 43.6 Ų | 43.6 | 13% | 0.132 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -17 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A183 A184 H191 V272 I275 L279 | A183-A186 WeakPolarHBondContact O-CB 3.28Å; A183-A186 PolarHBondContact O-N 2.87Å; A184-A186 PolarHBondContact O-N 3.34Å; A186-H191 PolarHBondContact O-NE2 3.06Å; A186-V272 HydrophobicContact CB-CG1 4.07Å; A186-I275 HydrophobicContact CB-CG2 4Å; A186-L279 WeakPolarHBondContact O-CD1 3.42Å |
| 187 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -13.5 | 178.6 | -68.9 | -64.3 | 0 | 0 | 0 | 114 | A184 E185 F193 F196 V215 I218 M258 C261 L262 I275 L279 | A184-F187 PolarHBondContact O-N 2.97Å; A184-F187 VanDerWaalsContact O-N 3.1Å; E185-F187 PolarHBondContact O-N 2.93Å; E185-F187 VanDerWaalsContact O-N 3.15Å; F187-F193 AromaticContact CD1-CE1 3.96Å; F187-F193 HydrophobicContact CD1-CE1 3.96Å; F187-F196 HydrophobicContact CE1-CD1 4.12Å; F187-F196 HydrophobicContact CE1-CD2 4.41Å; F187-F196 AromaticContact CE1-CE1 3.54Å; F187-F196 HydrophobicContact CE1-CE1 3.54Å; F187-F196 AromaticContact CE1-CE2 3.88Å; F187-F196 HydrophobicContact CE1-CE2 3.88Å; F187-F196 AromaticContact CE1-CZ 3.42Å; F187-F196 HydrophobicContact CE1-CZ 3.42Å; F187-F196 VanDerWaalsContact CE1-CZ 3.42Å; F187-F196 HydrophobicContact CZ-CD1 4.41Å; F187-F196 AromaticContact CZ-CE1 3.67Å; F187-F196 HydrophobicContact CZ-CE1 3.67Å; F187-F196 AromaticContact CZ-CZ 3.87Å; F187-F196 HydrophobicContact CZ-CZ 3.87Å; F187-V215 WeakPolarHBondContact O-CB 3.32Å; F187-I218 HydrophobicContact CB-CD1 3.61Å; F187-I218 HydrophobicContact CG-CD1 4.48Å; F187-M258 HydrophobicContact CB-CE 3.62Å; F187-M258 HydrophobicContact CD1-CE 3.98Å; F187-M258 HydrophobicContact CD1-CG 4.09Å; F187-M258 HydrophobicContact CD1-SD 4.48Å; F187-M258 HydrophobicContact CD2-CE 4.06Å; F187-M258 HydrophobicContact CE1-CB 4.48Å; F187-M258 HydrophobicContact CE1-CG 3.85Å; F187-M258 HydrophobicContact CE2-CB 4.26Å; F187-M258 HydrophobicContact CE2-CG 4.46Å; F187-M258 HydrophobicContact CG-CE 3.65Å; F187-M258 HydrophobicContact CG-CG 4.47Å; F187-M258 HydrophobicContact CZ-CB 4.18Å; F187-M258 HydrophobicContact CZ-CG 4.05Å; F187-C261 HydrophobicContact CZ-CB 4.27Å; F187-L262 HydrophobicContact CD2-CD2 3.96Å; F187-L262 HydrophobicContact CD2-CG 4.44Å; F187-L262 HydrophobicContact CE2-CD2 3.71Å; F187-L262 HydrophobicContact CE2-CG 4Å; F187-I275 HydrophobicContact CD1-CG2 4.13Å; F187-I275 HydrophobicContact CD2-CG2 4.38Å; F187-I275 HydrophobicContact CE1-CG2 3.54Å; F187-I275 HydrophobicContact CE2-CD1 3.99Å; F187-I275 HydrophobicContact CE2-CG1 4.49Å; F187-I275 HydrophobicContact CE2-CG2 3.82Å; F187-I275 HydrophobicContact CZ-CB 4.39Å; F187-I275 HydrophobicContact CZ-CD1 4.18Å; F187-I275 HydrophobicContact CZ-CG1 4.18Å; F187-I275 HydrophobicContact CZ-CG2 3.36Å; F187-L279 HydrophobicContact CD1-CD1 4.17Å; F187-L279 HydrophobicContact CD1-CD2 4.17Å; F187-L279 HydrophobicContact CE1-CD1 4.46Å; F187-L279 HydrophobicContact CE1-CD2 4.34Å |
| 188 | V | 98.7 | Very high | 97.5 | Very high | 47 Ų | 47 | 39.1 Ų | 39.1 | 29% | 0.285 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -78.1 | 130.5 | -178 | 178.7 | 0 | 0 | 0 | 0 | 109.2 | E185 I218 | E185-V188 PolarHBondContact O-N 3.27Å; V188-I218 HydrophobicContact CG2-CB 4.18Å; V188-I218 HydrophobicContact CG2-CD1 4.24Å; V188-I218 HydrophobicContact CG2-CG1 4.03Å |
| 189 | G | 98.5 | Very high | 96.6 | Very high | 24 Ų | 24 | 40 Ų | 40 | 25% | 0.247 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 115 | -166.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T214 V215 | G189-T214 CarbonylContact O-C 3.25Å; G189-T214 VanDerWaalsContact O-CA 3.26Å; G189-T214 WeakPolarHBondContact O-CA 3.33Å; G189-V215 PolarHBondContact N-O 2.92Å; G189-V215 PolarHBondContact O-N 3.08Å |
| 190 | W | 98.4 | Very high | 95.5 | Very high | 152 Ų | 152 | 38 Ų | 38 | 58% | 0.576 | 20% | 0.201 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 127.6 | 179.6 | 177 | 92.2 | 0 | 0 | 0 | 110.3 | E212 R213 | W190-E212 HydrophobicContact CZ2-CB 4.29Å; W190-E212 VanDerWaalsContact CZ2-CD 3.49Å; W190-E212 HydrophobicContact CZ2-CG 4.09Å; W190-R213 WeakPolarHBondContact CA-O 3.49Å |
| 191 | H | 98.4 | Very high | 94.5 | Very high | 46 Ų | 46 | 42.1 Ų | 42.1 | 21% | 0.213 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 160.3 | 176.5 | -59 | -80.9 | 0 | 0 | 0 | 111.6 | A186 F193 E212 R213 L279 | A186-H191 PolarHBondContact O-NE2 3.06Å; H191-F193 HydrophobicContact CB-CD2 4.05Å; H191-F193 HydrophobicContact CB-CE2 3.69Å; H191-F193 HydrophobicContact CB-CZ 3.95Å; H191-F193 AromaticContact CD2-CZ 3.98Å; H191-F193 WeakPolarHBondContact O-CD2 3.32Å; H191-E212 WeakPolarHBondContact O-CA 3.29Å; H191-R213 PolarHBondContact N-O 2.92Å; H191-R213 PolarHBondContact O-N 2.92Å; H191-L279 HydrophobicContact CB-CD2 3.83Å |
| 192 | N | 97.4 | Very high | 93.7 | Very high | 36 Ų | 36 | 42.5 Ų | 42.5 | 19% | 0.193 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 110.4 | 162.1 | -171.4 | -29.3 | 0 | 0 | 0 | 109.8 | A194 S211 E212 P282 | N192-A194 PolarHBondContact O-N 3.19Å; N192-A194 WeakPolarHBondContact OD1-CB 3.43Å; N192-A194 PolarHBondContact OD1-N 3.25Å; N192-A194 VanDerWaalsContact OD1-N 3.11Å; N192-S211 WeakPolarHBondContact OD1-CB 3.47Å; N192-S211 PolarHBondContact OD1-OG 3.15Å; N192-E212 HydrophobicContact CB-CG 4.32Å; N192-P282 HydrophobicContact CB-CB 3.91Å; N192-P282 HydrophobicContact CB-CG 4.13Å; N192-P282 WeakPolarHBondContact OD1-CB 3.39Å |
| 193 | F | 97.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -93.1 | 21 | -175 | -74.2 | -85.4 | 0 | 0 | 0 | 113.8 | F187 H191 S195 F196 M197 S211 R213 V215 L251 Q254 M258 L279 | F187-F193 AromaticContact CD1-CE1 3.96Å; F187-F193 HydrophobicContact CD1-CE1 3.96Å; H191-F193 HydrophobicContact CB-CD2 4.05Å; H191-F193 HydrophobicContact CB-CE2 3.69Å; H191-F193 HydrophobicContact CB-CZ 3.95Å; H191-F193 AromaticContact CD2-CZ 3.98Å; H191-F193 WeakPolarHBondContact O-CD2 3.32Å; F193-S195 PolarHBondContact O-N 3.03Å; F193-F196 HydrophobicContact CB-CB 4.44Å; F193-F196 HydrophobicContact CD1-CB 4.22Å; F193-F196 AromaticContact CD1-CD2 3.93Å; F193-F196 HydrophobicContact CD1-CD2 3.93Å; F193-F196 HydrophobicContact CD1-CG 4.27Å; F193-F196 CarbonylContact O-C 3.57Å; F193-F196 WeakPolarHBondContact O-CA 3.3Å; F193-F196 PolarHBondContact O-N 3.49Å; F193-M197 PolarHBondContact O-N 2.74Å; F193-S211 PolarHBondContact N-O 3.38Å; F193-R213 HydrophobicContact CD2-CB 3.81Å; F193-R213 HydrophobicContact CD2-CG 4.46Å; F193-R213 HydrophobicContact CE2-CB 4.06Å; F193-R213 WeakPolarHBondContact CE2-O 3.32Å; F193-V215 HydrophobicContact CE1-CG2 4.33Å; F193-V215 HydrophobicContact CE2-CG2 3.96Å; F193-V215 HydrophobicContact CZ-CB 4.49Å; F193-V215 HydrophobicContact CZ-CG2 3.52Å; F193-L251 HydrophobicContact CB-CD1 3.7Å; F193-Q254 HydrophobicContact CD1-CG 4.34Å; F193-M258 HydrophobicContact CD1-SD 4.36Å; F193-M258 HydrophobicContact CE1-CE 4.48Å; F193-M258 HydrophobicContact CE1-SD 3.97Å; F193-L279 HydrophobicContact CD1-CD2 4.03Å; F193-L279 HydrophobicContact CE1-CD2 3.91Å | ||
| 194 | A | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -57.5 | -35.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N192 F196 M197 L207 P282 P284 | N192-A194 PolarHBondContact O-N 3.19Å; N192-A194 WeakPolarHBondContact OD1-CB 3.43Å; N192-A194 PolarHBondContact OD1-N 3.25Å; N192-A194 VanDerWaalsContact OD1-N 3.11Å; A194-F196 PolarHBondContact O-N 3.41Å; A194-M197 WeakPolarHBondContact O-CG 3.34Å; A194-M197 PolarHBondContact O-N 3.22Å; A194-L207 HydrophobicContact CB-CD1 3.85Å; A194-P282 HydrophobicContact CB-CB 3.72Å; A194-P284 VanDerWaalsContact O-CA 3.28Å; A194-P284 WeakPolarHBondContact O-CA 3.44Å; A194-P284 WeakPolarHBondContact O-CD 3.37Å; A194-P284 WeakPolarHBondContact O-CG 3.23Å |
| 195 | S | 96.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -63.6 | -27 | 173.4 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | F193 R257 L278 N281 P282 D283 Y287 | F193-S195 PolarHBondContact O-N 3.03Å; S195-R257 PolarHBondContact O-NH1 3.17Å; S195-L278 VanDerWaalsContact CB-O 3.26Å; S195-L278 WeakPolarHBondContact CB-O 3.49Å; S195-L278 PolarHBondContact OG-O 3.02Å; S195-N281 PolarHBondContact OG-O 3.25Å; S195-P282 WeakPolarHBondContact OG-CA 3.48Å; S195-D283 WeakPolarHBondContact CA-O 3.3Å; S195-D283 PolarHBondContact OG-N 2.69Å; S195-D283 VanDerWaalsContact OG-N 3.09Å; S195-D283 PolarHBondContact OG-O 2.96Å; S195-Y287 VanDerWaalsContact O-CB 3.24Å; S195-Y287 WeakPolarHBondContact O-CB 3.42Å |
| 196 | F | 97.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -96.4 | 10.2 | -176.7 | -61.9 | -85.4 | 0 | 0 | 0 | 113.3 | F187 F193 A194 Q254 R257 M258 L278 L279 | F187-F196 HydrophobicContact CE1-CD1 4.12Å; F187-F196 HydrophobicContact CE1-CD2 4.41Å; F187-F196 AromaticContact CE1-CE1 3.54Å; F187-F196 HydrophobicContact CE1-CE1 3.54Å; F187-F196 AromaticContact CE1-CE2 3.88Å; F187-F196 HydrophobicContact CE1-CE2 3.88Å; F187-F196 AromaticContact CE1-CZ 3.42Å; F187-F196 HydrophobicContact CE1-CZ 3.42Å; F187-F196 VanDerWaalsContact CE1-CZ 3.42Å; F187-F196 HydrophobicContact CZ-CD1 4.41Å; F187-F196 AromaticContact CZ-CE1 3.67Å; F187-F196 HydrophobicContact CZ-CE1 3.67Å; F187-F196 AromaticContact CZ-CZ 3.87Å; F187-F196 HydrophobicContact CZ-CZ 3.87Å; F193-F196 HydrophobicContact CB-CB 4.44Å; F193-F196 HydrophobicContact CD1-CB 4.22Å; F193-F196 AromaticContact CD1-CD2 3.93Å; F193-F196 HydrophobicContact CD1-CD2 3.93Å; F193-F196 HydrophobicContact CD1-CG 4.27Å; F193-F196 CarbonylContact O-C 3.57Å; F193-F196 WeakPolarHBondContact O-CA 3.3Å; F193-F196 PolarHBondContact O-N 3.49Å; A194-F196 PolarHBondContact O-N 3.41Å; F196-Q254 HydrophobicContact CB-CG 4.33Å; F196-Q254 WeakPolarHBondContact O-CA 3.31Å; F196-R257 VanDerWaalsContact C-CD 3.43Å; F196-R257 HydrophobicContact CB-CB 4.33Å; F196-R257 HydrophobicContact CD1-CB 4.12Å; F196-R257 VanDerWaalsContact O-CD 3.26Å; F196-R257 WeakPolarHBondContact O-CD 3.33Å; F196-M258 HydrophobicContact CB-CG 4.47Å; F196-M258 HydrophobicContact CD1-CG 3.93Å; F196-M258 HydrophobicContact CG-CG 4.28Å; F196-L278 HydrophobicContact CE1-CD1 4.15Å; F196-L278 HydrophobicContact CE2-CB 3.72Å; F196-L278 HydrophobicContact CZ-CB 3.55Å; F196-L278 HydrophobicContact CZ-CD1 3.79Å; F196-L278 HydrophobicContact CZ-CG 4.29Å; F196-L279 HydrophobicContact CD2-CD2 4.03Å; F196-L279 HydrophobicContact CE2-CD2 3.57Å; F196-L279 HydrophobicContact CE2-CG 3.92Å; F196-L279 HydrophobicContact CZ-CD2 4.49Å |
| 197 | M | 94.4 | Very high | 89.1 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.02 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -112.3 | 158.2 | 173 | 62.8 | 176.7 | -68.9 | 0 | 0 | 112.3 | F193 A194 S200 V209 L251 Y252 R257 P284 | F193-M197 PolarHBondContact O-N 2.74Å; A194-M197 WeakPolarHBondContact O-CG 3.34Å; A194-M197 PolarHBondContact O-N 3.22Å; M197-S200 VanDerWaalsContact CE-CB 3.48Å; M197-V209 HydrophobicContact CE-CG2 3.69Å; M197-V209 HydrophobicContact SD-CG2 4.26Å; M197-L251 HydrophobicContact CB-CB 3.82Å; M197-L251 HydrophobicContact CB-CD1 4.04Å; M197-L251 HydrophobicContact CG-CD1 4.26Å; M197-L251 HydrophobicContact SD-CD1 3.94Å; M197-L251 HydrophobicContact SD-CD2 4.48Å; M197-Y252 WeakPolarHBondContact CA-O 3.1Å; M197-R257 PolarHBondContact O-NH1 2.66Å; M197-R257 PolarHBondContact O-NH2 2.93Å; M197-P284 HydrophobicContact CG-CG 4.25Å |
| 198 | S | 89.2 | Confident | 88.4 | Confident | 19 Ų | 19 | 65.6 Ų | 65.6 | 13% | 0.133 | 32% | 0.321 | C | S | . | . | trans | -68.6 | 155.8 | 168.7 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | S200 Y252 N253 | S198-S200 PolarHBondContact O-N 3.05Å; S198-S200 VanDerWaalsContact O-N 3.1Å; S198-Y252 PolarHBondContact N-O 3.18Å; S198-N253 PolarHBondContact OG-ND2 3.25Å | ||
| 199 | K | 79.7 | Confident | 87.9 | Confident | 171 Ų | 171 | 66.4 Ų | 66.4 | 74% | 0.743 | 33% | 0.326 | S | S | * | . | trans | -53.3 | 119.8 | -175.9 | -68 | 178.8 | -177.9 | 172.3 | 0 | 109.7 | P284 | K199-P284 HydrophobicContact CG-CB 4.27Š| ||
| 200 | S | 74.7 | Confident | 87.7 | Confident | 38 Ų | 38 | 69.8 Ų | 69.8 | 27% | 0.266 | 34% | 0.338 | S | S | . | . | trans | -140.5 | 65.7 | 171.4 | -168.5 | 0 | 0 | 0 | 0 | 106.6 | M197 S198 L207 V208 | M197-S200 VanDerWaalsContact CE-CB 3.48Å; S198-S200 PolarHBondContact O-N 3.05Å; S198-S200 VanDerWaalsContact O-N 3.1Å; S200-L207 WeakPolarHBondContact O-CA 3.37Å; S200-V208 PolarHBondContact O-N 3.07Å | ||
| 201 | K | 78.9 | Confident | 87.5 | Confident | 88 Ų | 88 | 62.7 Ų | 62.7 | 38% | 0.383 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -105.8 | 138.7 | 173.4 | -75.3 | 179.6 | 169.2 | -178.7 | 0 | 108.4 | G205 E206 L207 D283 | K201-G205 WeakPolarHBondContact CD-O 3.27Å; K201-G205 WeakPolarHBondContact CE-O 3.22Å; K201-G205 WeakPolarHBondContact CG-O 3.44Å; K201-E206 CarbonylContact C-O 3.49Å; K201-E206 WeakPolarHBondContact CA-O 3.33Å; K201-L207 HydrophobicContact CG-CD2 4.04Å; K201-D283 VanDerWaalsContact NZ-CG 3.27Å; K201-D283 IonicContact NZ-OD1 3.36Å; K201-D283 PolarHBondContact NZ-OD1 2.86Å; K201-D283 VanDerWaalsContact NZ-OD1 3.12Å; K201-D283 IonicContact NZ-OD2 2.77Å; K201-D283 PolarHBondContact NZ-OD2 3.4Å |
| 202 | N | 80.3 | Confident | 87.5 | Confident | 54 Ų | 54 | 64.5 Ų | 64.5 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | trans | -71 | 179.2 | 171.3 | 67.3 | 11.9 | 0 | 0 | 0 | 110.4 | Q204 G205 E206 V208 | N202-Q204 PolarHBondContact ND2-OE1 2.9Å; N202-Q204 PolarHBondContact O-N 2.81Å; N202-Q204 VanDerWaalsContact O-N 3.15Å; N202-Q204 WeakPolarHBondContact OD1-CA 3.4Å; N202-Q204 WeakPolarHBondContact OD1-CB 3.42Å; N202-Q204 PolarHBondContact OD1-N 2.99Å; N202-G205 PolarHBondContact O-N 2.9Å; N202-G205 PolarHBondContact OD1-N 3.36Å; N202-E206 PolarHBondContact N-O 2.64Å; N202-E206 PolarHBondContact ND2-OE2 2.83Å; N202-E206 VanDerWaalsContact ND2-OE2 3.11Å; N202-E206 PolarHBondContact OD1-N 3.39Å; N202-E206 PolarHBondContact OD1-O 2.89Å; N202-V208 HydrophobicContact CB-CG2 4.12Å | ||
| 203 | R | 77.5 | Confident | 87.5 | Confident | 251 Ų | 251 | 65 Ų | 65 | 95% | 0.947 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -24.9 | 178.3 | -68.3 | -177.5 | 179.8 | 177.7 | -0.2 | 113.2 | G205 | R203-G205 VanDerWaalsContact C-N 3.3Š|
| 204 | Q | 78.1 | Confident | 87.5 | Confident | 145 Ų | 145 | 68.6 Ų | 68.6 | 68% | 0.678 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -3.8 | 177.8 | -64.9 | 73.4 | 20.1 | 0 | 0 | 112.9 | N202 E206 | N202-Q204 PolarHBondContact ND2-OE1 2.9Å; N202-Q204 PolarHBondContact O-N 2.81Å; N202-Q204 VanDerWaalsContact O-N 3.15Å; N202-Q204 WeakPolarHBondContact OD1-CA 3.4Å; N202-Q204 WeakPolarHBondContact OD1-CB 3.42Å; N202-Q204 PolarHBondContact OD1-N 2.99Å; Q204-E206 VanDerWaalsContact C-N 3.33Å; Q204-E206 HydrophobicContact CB-CG 4.33Å |
| 205 | G | 77.9 | Confident | 87.6 | Confident | 39 Ų | 39 | 68.6 Ų | 68.6 | 40% | 0.402 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 84.1 | 4.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | K201 N202 R203 | K201-G205 WeakPolarHBondContact CD-O 3.27Å; K201-G205 WeakPolarHBondContact CE-O 3.22Å; K201-G205 WeakPolarHBondContact CG-O 3.44Å; N202-G205 PolarHBondContact O-N 2.9Å; N202-G205 PolarHBondContact OD1-N 3.36Å; R203-G205 VanDerWaalsContact C-N 3.3Å |
| 206 | E | 80.1 | Confident | 87.7 | Confident | 125 Ų | 125 | 75 Ų | 75 | 58% | 0.584 | 37% | 0.37 | S | S | * | . | trans | -85.5 | 147.9 | 178.7 | -54.7 | 170.8 | 148.3 | 0 | 0 | 110.6 | K201 N202 Q204 V208 | K201-E206 CarbonylContact C-O 3.49Å; K201-E206 WeakPolarHBondContact CA-O 3.33Å; N202-E206 PolarHBondContact N-O 2.64Å; N202-E206 PolarHBondContact ND2-OE2 2.83Å; N202-E206 VanDerWaalsContact ND2-OE2 3.11Å; N202-E206 PolarHBondContact OD1-N 3.39Å; N202-E206 PolarHBondContact OD1-O 2.89Å; Q204-E206 VanDerWaalsContact C-N 3.33Å; Q204-E206 HydrophobicContact CB-CG 4.33Å; E206-V208 PolarHBondContact O-N 3.49Å | ||
| 207 | L | 82.3 | Confident | 87.8 | Confident | 60 Ų | 60 | 79.1 Ų | 79.1 | 31% | 0.314 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -64.9 | 133.3 | 176.3 | -63.8 | 173.1 | 0 | 0 | 0 | 110.5 | A194 S200 K201 V209 P284 | A194-L207 HydrophobicContact CB-CD1 3.85Å; S200-L207 WeakPolarHBondContact O-CA 3.37Å; K201-L207 HydrophobicContact CG-CD2 4.04Å; L207-V209 PolarHBondContact O-N 3.35Å; L207-P284 HydrophobicContact CD2-CG 3.97Å |
| 208 | V | 85 | Confident | 88 | Confident | 78 Ų | 78 | 79.3 Ų | 79.3 | 47% | 0.473 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -76.3 | -18 | 178.1 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | S200 N202 E206 | S200-V208 PolarHBondContact O-N 3.07Å; N202-V208 HydrophobicContact CB-CG2 4.12Å; E206-V208 PolarHBondContact O-N 3.49Å |
| 209 | V | 88.2 | Confident | 88.4 | Confident | 64 Ų | 64 | 79.1 Ų | 79.1 | 39% | 0.388 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -134.4 | 145.2 | -178.5 | -62.8 | 0 | 0 | 0 | 0 | 110.3 | M197 L207 S211 L251 | M197-V209 HydrophobicContact CE-CG2 3.69Å; M197-V209 HydrophobicContact SD-CG2 4.26Å; L207-V209 PolarHBondContact O-N 3.35Å; V209-S211 PolarHBondContact O-N 3.45Å; V209-L251 HydrophobicContact CG2-CD2 4.37Å |
| 210 | D | 92.7 | Very high | 89.3 | Confident | 95 Ų | 95 | 73.1 Ų | 73.1 | 51% | 0.508 | 37% | 0.369 | S | S | . | . | trans | -57.4 | 128.8 | 165.7 | 164.1 | 38.4 | 0 | 0 | 0 | 109.5 | E212 R213 | D210-E212 WeakPolarHBondContact OD1-CB 3.35Å; D210-E212 PolarHBondContact OD1-N 3.36Å; D210-R213 PolarHBondContact O-NH1 3.28Å; D210-R213 PolarHBondContact O-NH2 3.47Å; D210-R213 IonicContact OD1-NH1 3.2Å; D210-R213 IonicContact OD2-CZ 3.37Å; D210-R213 IonicContact OD2-NH1 2.73Å; D210-R213 PolarHBondContact OD2-NH1 3.47Å | ||
| 211 | S | 95.3 | Very high | 90.4 | Very high | 4 Ų | 4 | 76.3 Ų | 76.3 | 3% | 0.028 | 38% | 0.378 | C | S | . | . | trans | -105 | 0.5 | -177.1 | 54 | 0 | 0 | 0 | 0 | 113.6 | N192 F193 V209 | N192-S211 WeakPolarHBondContact OD1-CB 3.47Å; N192-S211 PolarHBondContact OD1-OG 3.15Å; F193-S211 PolarHBondContact N-O 3.38Å; V209-S211 PolarHBondContact O-N 3.45Å | ||
| 212 | E | 97.3 | Very high | 91.3 | Very high | 84 Ų | 84 | 78.1 Ų | 78.1 | 39% | 0.393 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 123.3 | 179.2 | -61.1 | -175.4 | 157.5 | 0 | 0 | 111.3 | W190 H191 N192 D210 | W190-E212 HydrophobicContact CZ2-CB 4.29Å; W190-E212 VanDerWaalsContact CZ2-CD 3.49Å; W190-E212 HydrophobicContact CZ2-CG 4.09Å; H191-E212 WeakPolarHBondContact O-CA 3.29Å; N192-E212 HydrophobicContact CB-CG 4.32Å; D210-E212 WeakPolarHBondContact OD1-CB 3.35Å; D210-E212 PolarHBondContact OD1-N 3.36Å |
| 213 | R | 97.1 | Very high | 92.2 | Very high | 46 Ų | 46 | 76.1 Ų | 76.1 | 17% | 0.174 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 154.4 | -178.1 | -58.9 | -69.1 | 179.7 | -89.3 | -2 | 110.4 | W190 H191 F193 D210 S249 L251 | W190-R213 WeakPolarHBondContact CA-O 3.49Å; H191-R213 PolarHBondContact N-O 2.92Å; H191-R213 PolarHBondContact O-N 2.92Å; F193-R213 HydrophobicContact CD2-CB 3.81Å; F193-R213 HydrophobicContact CD2-CG 4.46Å; F193-R213 HydrophobicContact CE2-CB 4.06Å; F193-R213 WeakPolarHBondContact CE2-O 3.32Å; D210-R213 PolarHBondContact O-NH1 3.28Å; D210-R213 PolarHBondContact O-NH2 3.47Å; D210-R213 IonicContact OD1-NH1 3.2Å; D210-R213 IonicContact OD2-CZ 3.37Å; D210-R213 IonicContact OD2-NH1 2.73Å; D210-R213 PolarHBondContact OD2-NH1 3.47Å; R213-S249 PolarHBondContact NE-OG 3.36Å; R213-L251 HydrophobicContact CG-CG 4.47Å |
| 214 | T | 98.4 | Very high | 93.1 | Very high | 76 Ų | 76 | 73.7 Ų | 73.7 | 47% | 0.466 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 115.3 | 167 | -53.7 | 0 | 0 | 0 | 0 | 109.3 | G189 K216 S247 | G189-T214 CarbonylContact O-C 3.25Å; G189-T214 VanDerWaalsContact O-CA 3.26Å; G189-T214 WeakPolarHBondContact O-CA 3.33Å; T214-K216 PolarHBondContact O-N 2.92Å; T214-S247 WeakPolarHBondContact O-CB 3.32Å; T214-S247 PolarHBondContact O-OG 3.33Å |
| 215 | V | 98.7 | Very high | 94 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 113 | 165.2 | 176.2 | 0 | 0 | 0 | 0 | 106.9 | F187 G189 F193 I218 M258 | F187-V215 WeakPolarHBondContact O-CB 3.32Å; G189-V215 PolarHBondContact N-O 2.92Å; G189-V215 PolarHBondContact O-N 3.08Å; F193-V215 HydrophobicContact CE1-CG2 4.33Å; F193-V215 HydrophobicContact CE2-CG2 3.96Å; F193-V215 HydrophobicContact CZ-CB 4.49Å; F193-V215 HydrophobicContact CZ-CG2 3.52Å; V215-I218 HydrophobicContact CG1-CD1 4.09Å; V215-I218 HydrophobicContact CG1-CG1 3.73Å; V215-M258 HydrophobicContact CG2-CE 4.47Å |
| 216 | K | 98.6 | Very high | 94.8 | Very high | 133 Ų | 133 | 72.1 Ų | 72.1 | 58% | 0.578 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | -38.7 | -175.5 | -175 | -172.5 | -176.9 | -172.4 | 0 | 111.6 | E131 T214 I246 | E131-K216 IonicContact OE1-NZ 3.08Å; E131-K216 WeakPolarHBondContact OE2-CD 3.37Å; E131-K216 WeakPolarHBondContact OE2-CE 3.43Å; E131-K216 IonicContact OE2-NZ 3.34Å; E131-K216 PolarHBondContact OE2-NZ 2.91Å; T214-K216 PolarHBondContact O-N 2.92Å; K216-I246 HydrophobicContact CB-CG2 4.35Å; K216-I246 WeakPolarHBondContact CB-O 3.39Å; K216-I246 HydrophobicContact CD-CG2 4.06Å; K216-I246 PolarHBondContact N-O 2.9Å |
| 217 | H | 98.6 | Very high | 95.7 | Very high | 88 Ų | 88 | 69.3 Ų | 69.3 | 41% | 0.407 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 140.8 | -175.7 | 178 | 64.8 | 0 | 0 | 0 | 111.5 | G219 I246 | H217-G219 VanDerWaalsContact NE2-CA 3.28Å; H217-G219 WeakPolarHBondContact NE2-CA 3.32Å; H217-G219 PolarHBondContact NE2-N 2.85Å; H217-I246 HydrophobicContact CB-CB 4.11Å; H217-I246 HydrophobicContact CB-CD1 4.2Å; H217-I246 HydrophobicContact CB-CG1 4.27Å; H217-I246 PolarHBondContact N-O 3.41Å; H217-I246 PolarHBondContact O-N 2.93Å |
| 218 | I | 98.8 | Very high | 96.3 | Very high | 8 Ų | 8 | 70.9 Ų | 70.9 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 120.8 | 161.2 | -56.1 | 175.4 | 0 | 0 | 0 | 107.3 | A184 F187 V188 V215 V243 T244 F245 M258 | A184-I218 HydrophobicContact CB-CB 4.44Å; A184-I218 HydrophobicContact CB-CG2 3.95Å; F187-I218 HydrophobicContact CB-CD1 3.61Å; F187-I218 HydrophobicContact CG-CD1 4.48Å; V188-I218 HydrophobicContact CG2-CB 4.18Å; V188-I218 HydrophobicContact CG2-CD1 4.24Å; V188-I218 HydrophobicContact CG2-CG1 4.03Å; V215-I218 HydrophobicContact CG1-CD1 4.09Å; V215-I218 HydrophobicContact CG1-CG1 3.73Å; I218-V243 HydrophobicContact CG2-CG1 4.03Å; I218-T244 CarbonylContact C-O 3.55Å; I218-T244 VanDerWaalsContact CA-O 3.23Å; I218-T244 WeakPolarHBondContact CA-O 3.43Å; I218-F245 HydrophobicContact CD1-CD1 3.93Å; I218-F245 HydrophobicContact CD1-CE1 3.73Å; I218-F245 HydrophobicContact CG1-CD1 3.72Å; I218-F245 HydrophobicContact CG1-CE1 3.92Å; I218-F245 HydrophobicContact CG2-CD1 4.26Å; I218-F245 HydrophobicContact CG2-CE1 3.93Å; I218-F245 HydrophobicContact CG2-CZ 4.3Å; I218-M258 HydrophobicContact CD1-CE 3.79Å |
| 219 | G | 98.4 | Very high | 96.7 | Very high | 15 Ų | 15 | 75.1 Ų | 75.1 | 16% | 0.155 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111 | H217 V243 T244 | H217-G219 VanDerWaalsContact NE2-CA 3.28Å; H217-G219 WeakPolarHBondContact NE2-CA 3.32Å; H217-G219 PolarHBondContact NE2-N 2.85Å; G219-V243 CarbonylContact O-C 3.59Å; G219-V243 WeakPolarHBondContact O-CA 3.02Å; G219-T244 PolarHBondContact N-O 2.89Å; G219-T244 PolarHBondContact O-N 3.12Å |
| 220 | V | 98.6 | Very high | 97 | Very high | 44 Ų | 44 | 76 Ų | 76 | 27% | 0.267 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.7 | 177.4 | -171.1 | 0 | 0 | 0 | 0 | 108.7 | I177 F180 F241 V243 | I177-V220 HydrophobicContact CD1-CG1 3.84Å; F180-V220 HydrophobicContact CD1-CG2 3.98Å; F180-V220 HydrophobicContact CE1-CG2 3.74Å; V220-F241 HydrophobicContact CG1-CD1 4.47Å; V220-V243 HydrophobicContact CG1-CG2 4.48Å; V220-V243 HydrophobicContact CG2-CG1 4.3Å; V220-V243 HydrophobicContact CG2-CG2 4.5Å |
| 221 | K | 98.2 | Very high | 97.2 | Very high | 106 Ų | 106 | 77.2 Ų | 77.2 | 46% | 0.461 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 160.4 | 175.5 | 66 | 175.9 | -175 | 164.1 | 0 | 110.6 | G223 F241 D242 | K221-G223 PolarHBondContact O-N 3.36Å; K221-F241 WeakPolarHBondContact O-CA 3.28Å; K221-D242 HydrophobicContact CD-CB 4.36Å; K221-D242 VanDerWaalsContact CE-CB 3.49Å; K221-D242 WeakPolarHBondContact CE-OD2 3.24Å; K221-D242 HydrophobicContact CG-CB 3.81Å; K221-D242 PolarHBondContact N-O 3.22Å; K221-D242 VanDerWaalsContact N-O 3.12Å; K221-D242 IonicContact NZ-OD2 3.69Å; K221-D242 PolarHBondContact O-N 2.92Å |
| 222 | L | 98 | Very high | 97.2 | Very high | 126 Ų | 126 | 77.9 Ų | 77.9 | 66% | 0.66 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 124.4 | 169.2 | -161.6 | 72.4 | 0 | 0 | 0 | 109.3 | F240 F241 | L222-F240 WeakPolarHBondContact CD1-O 3.2Å; L222-F241 HydrophobicContact CD1-CD1 4.49Å; L222-F241 HydrophobicContact CD1-CE1 4.13Å |
| 223 | G | 97.3 | Very high | 97 | Very high | 12 Ų | 12 | 78.2 Ų | 78.2 | 12% | 0.124 | 40% | 0.401 | C | S | . | . | trans | -87.9 | -175.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K221 F240 | K221-G223 PolarHBondContact O-N 3.36Å; G223-F240 PolarHBondContact N-O 3.33Å | ||
| 224 | R | 96.8 | Very high | 96.7 | Very high | 200 Ų | 200 | 80.5 Ų | 80.5 | 76% | 0.755 | 41% | 0.413 | S | S | * | . | trans | -144.2 | 148.7 | 175.8 | 35.7 | 177.7 | 169.4 | -114.3 | 3.1 | 110.4 | R137 | R137-R224 PolarHBondContact NH2-O 2.89Š| ||
| 225 | P | 97.3 | Very high | 96.6 | Very high | 33 Ų | 33 | 77.2 Ų | 77.2 | 21% | 0.214 | 39% | 0.393 | C | S | . | . | trans | -67.8 | 163 | 169.1 | 33 | -37.1 | 0 | 0 | 0 | 110.3 | E164 L227 F240 | E164-P225 WeakPolarHBondContact OE1-CA 3.16Å; P225-L227 WeakPolarHBondContact CB-O 3.43Å; P225-L227 VanDerWaalsContact CG-O 3.31Å; P225-L227 WeakPolarHBondContact CG-O 3.47Å; P225-F240 HydrophobicContact CB-CD2 4.32Å; P225-F240 HydrophobicContact CB-CE2 3.72Å; P225-F240 HydrophobicContact CB-CZ 3.86Å; P225-F240 HydrophobicContact CG-CD2 4.44Å; P225-F240 HydrophobicContact CG-CE2 4.08Å | ||
| 226 | L | 96.1 | Very high | 96.3 | Very high | 118 Ų | 118 | 79.9 Ų | 79.9 | 62% | 0.618 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -64.9 | -43.6 | 175 | -178 | 62.6 | 0 | 0 | 0 | 111.7 | L163 E164 | L163-L226 HydrophobicContact CB-CD2 4.15Å; L163-L226 HydrophobicContact CD1-CD2 4.18Å; L163-L226 HydrophobicContact CD2-CD2 4.4Å; L163-L226 HydrophobicContact CG-CD2 4.48Å; E164-L226 PolarHBondContact OE1-N 2.73Å |
| 227 | L | 97.3 | Very high | 96.1 | Very high | 65 Ų | 65 | 76.7 Ų | 76.7 | 34% | 0.34 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -116.7 | 136.9 | 173 | -65.9 | -175.2 | 0 | 0 | 0 | 109.5 | L163 P225 D231 C232 S235 | L163-L227 HydrophobicContact CD1-CB 4.27Å; L163-L227 HydrophobicContact CD1-CD1 3.3Å; L163-L227 HydrophobicContact CD1-CG 3.53Å; P225-L227 WeakPolarHBondContact CB-O 3.43Å; P225-L227 VanDerWaalsContact CG-O 3.31Å; P225-L227 WeakPolarHBondContact CG-O 3.47Å; L227-D231 HydrophobicContact CB-CB 4.21Å; L227-D231 HydrophobicContact CD1-CB 4.03Å; L227-D231 HydrophobicContact CG-CB 4.49Å; L227-C232 HydrophobicContact CB-CB 3.91Å; L227-S235 VanDerWaalsContact O-CB 3.32Å; L227-S235 WeakPolarHBondContact O-CB 3.26Å; L227-S235 PolarHBondContact O-OG 2.86Å |
| 228 | D | 94.6 | Very high | 96.1 | Very high | 93 Ų | 93 | 72.8 Ų | 72.8 | 50% | 0.497 | 37% | 0.373 | S | S | . | . | trans | -78.1 | -176.7 | 177 | 71.3 | 34.8 | 0 | 0 | 0 | 111.9 | A230 D231 C232 | D228-A230 PolarHBondContact O-N 2.8Å; D228-A230 WeakPolarHBondContact OD1-CB 3.48Å; D228-A230 PolarHBondContact OD1-N 3.36Å; D228-D231 PolarHBondContact O-N 3.11Å; D228-C232 CarbonylContact O-C 3.54Å; D228-C232 WeakPolarHBondContact O-CA 3.36Å; D228-C232 PolarHBondContact O-N 2.79Å | ||
| 229 | R | 93.6 | Very high | 96 | Very high | 167 Ų | 167 | 75.5 Ų | 75.5 | 63% | 0.63 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -19.7 | -176.8 | 66.5 | 175.3 | -80.9 | 164.8 | -10.8 | 114.8 | D236 | R229-D236 HydrophobicContact CB-CB 4.11Å; R229-D236 IonicContact CZ-OD2 3.14Å; R229-D236 IonicContact NH1-OD2 2.84Å; R229-D236 PolarHBondContact NH1-OD2 2.87Å |
| 230 | A | 96 | Very high | 96 | Very high | 83 Ų | 83 | 75.1 Ų | 75.1 | 69% | 0.686 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -40.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | D228 | D228-A230 PolarHBondContact O-N 2.8Å; D228-A230 WeakPolarHBondContact OD1-CB 3.48Å; D228-A230 PolarHBondContact OD1-N 3.36Å |
| 231 | D | 96.4 | Very high | 96 | Very high | 120 Ų | 120 | 74.2 Ų | 74.2 | 64% | 0.642 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -30.1 | 179.4 | -61.4 | -51.2 | 0 | 0 | 0 | 112.8 | L227 D228 | L227-D231 HydrophobicContact CB-CB 4.21Å; L227-D231 HydrophobicContact CD1-CB 4.03Å; L227-D231 HydrophobicContact CG-CB 4.49Å; D228-D231 PolarHBondContact O-N 3.11Å |
| 232 | C | 95.3 | Very high | 96 | Very high | 19 Ų | 19 | 70.2 Ų | 70.2 | 13% | 0.128 | 36% | 0.358 | C | S | . | . | trans | -136.3 | 90.7 | -178.9 | -165.6 | 0 | 0 | 0 | 0 | 111.5 | L227 D228 F234 S235 | L227-C232 HydrophobicContact CB-CB 3.91Å; D228-C232 CarbonylContact O-C 3.54Å; D228-C232 WeakPolarHBondContact O-CA 3.36Å; D228-C232 PolarHBondContact O-N 2.79Å; C232-F234 PolarHBondContact O-N 2.87Å; C232-F234 VanDerWaalsContact O-N 3.09Å; C232-S235 WeakPolarHBondContact O-CB 3.29Å; C232-S235 PolarHBondContact O-N 2.85Å; C232-S235 PolarHBondContact O-OG 2.78Å | ||
| 233 | P | 92.6 | Very high | 96.1 | Very high | 90 Ų | 90 | 64.2 Ų | 64.2 | 58% | 0.584 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -56.7 | -29.6 | -177.3 | -29.3 | 36.4 | 0 | 0 | 0 | 114.9 | S235 D236 | P233-S235 PolarHBondContact O-N 2.77Å; P233-D236 PolarHBondContact O-N 2.84Å |
| 234 | F | 92.1 | Very high | 96.1 | Very high | 94 Ų | 94 | 64.5 Ų | 64.5 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -62.9 | -22.7 | 176.6 | -71.4 | -93 | 0 | 0 | 0 | 113 | P161 C232 D236 R237 | P161-F234 HydrophobicContact CG-CB 4.15Å; C232-F234 PolarHBondContact O-N 2.87Å; C232-F234 VanDerWaalsContact O-N 3.09Å; F234-D236 PolarHBondContact O-N 3.29Å; F234-R237 VanDerWaalsContact CD1-CZ 3.48Å; F234-R237 VanDerWaalsContact CE1-CZ 3.4Å; F234-R237 WeakPolarHBondContact O-CB 3.24Å; F234-R237 WeakPolarHBondContact O-CG 3.1Å; F234-R237 PolarHBondContact O-N 2.85Å; F234-R237 VanDerWaalsContact O-N 3.11Å |
| 235 | S | 94.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 55 Ų | 55 | 6% | 0.056 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -61.5 | -30.1 | 178.1 | -69.8 | 0 | 0 | 0 | 0 | 113.2 | L227 C232 P233 R237 | L227-S235 VanDerWaalsContact O-CB 3.32Å; L227-S235 WeakPolarHBondContact O-CB 3.26Å; L227-S235 PolarHBondContact O-OG 2.86Å; C232-S235 WeakPolarHBondContact O-CB 3.29Å; C232-S235 PolarHBondContact O-N 2.85Å; C232-S235 PolarHBondContact O-OG 2.78Å; P233-S235 PolarHBondContact O-N 2.77Å; S235-R237 PolarHBondContact O-N 3.39Å |
| 236 | D | 93.8 | Very high | 96.3 | Very high | 55 Ų | 55 | 54.7 Ų | 54.7 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -77.1 | -5.8 | 179.8 | -155 | 16.3 | 0 | 0 | 0 | 113 | K142 R229 P233 F234 F238 | K142-D236 VanDerWaalsContact CD-O 3.29Å; K142-D236 WeakPolarHBondContact CD-O 3.42Å; K142-D236 WeakPolarHBondContact CE-O 3.43Å; K142-D236 PolarHBondContact NZ-O 3.2Å; K142-D236 IonicContact NZ-OD1 3.69Å; K142-D236 PolarHBondContact NZ-OD1 3.06Å; R229-D236 HydrophobicContact CB-CB 4.11Å; R229-D236 IonicContact CZ-OD2 3.14Å; R229-D236 IonicContact NH1-OD2 2.84Å; R229-D236 PolarHBondContact NH1-OD2 2.87Å; P233-D236 PolarHBondContact O-N 2.84Å; F234-D236 PolarHBondContact O-N 3.29Å; D236-F238 PolarHBondContact O-N 3.25Å |
| 237 | R | 94.8 | Very high | 96.4 | Very high | 67 Ų | 67 | 49.2 Ų | 49.2 | 25% | 0.253 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -73.9 | -16.3 | 177.3 | -59.8 | -174.6 | -178.1 | -153.1 | 2.2 | 113.4 | L141 K142 F145 F234 S235 | L141-R237 HydrophobicContact CD1-CB 4.22Å; K142-R237 PolarHBondContact N-O 2.81Å; F145-R237 HydrophobicContact CB-CB 4.39Å; F145-R237 HydrophobicContact CD1-CB 4.46Å; F145-R237 HydrophobicContact CD1-CG 3.83Å; F145-R237 HydrophobicContact CD2-CB 3.89Å; F145-R237 HydrophobicContact CD2-CG 4.03Å; F145-R237 HydrophobicContact CE1-CG 3.93Å; F145-R237 HydrophobicContact CE2-CB 4.26Å; F145-R237 HydrophobicContact CE2-CG 4.14Å; F145-R237 HydrophobicContact CG-CB 3.99Å; F145-R237 HydrophobicContact CG-CG 3.87Å; F145-R237 HydrophobicContact CZ-CG 4.08Å; F234-R237 VanDerWaalsContact CD1-CZ 3.48Å; F234-R237 VanDerWaalsContact CE1-CZ 3.4Å; F234-R237 WeakPolarHBondContact O-CB 3.24Å; F234-R237 WeakPolarHBondContact O-CG 3.1Å; F234-R237 PolarHBondContact O-N 2.85Å; F234-R237 VanDerWaalsContact O-N 3.11Å; S235-R237 PolarHBondContact O-N 3.39Å |
| 238 | F | 96.8 | Very high | 96.4 | Very high | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 148.4 | -172.5 | -62.6 | -94.2 | 0 | 0 | 0 | 112.7 | A139 V140 L141 P156 Q159 L160 D236 F240 | A139-F238 HydrophobicContact CB-CB 4.21Å; A139-F238 HydrophobicContact CB-CD1 3.8Å; A139-F238 HydrophobicContact CB-CE1 4.45Å; A139-F238 HydrophobicContact CB-CG 4.12Å; V140-F238 CarbonylContact O-C 3.51Å; V140-F238 VanDerWaalsContact O-CA 3.25Å; V140-F238 WeakPolarHBondContact O-CA 3.5Å; L141-F238 HydrophobicContact CB-CD1 4.27Å; L141-F238 HydrophobicContact CB-CE1 4.09Å; L141-F238 HydrophobicContact CD1-CD1 4.18Å; L141-F238 HydrophobicContact CD1-CE1 3.69Å; L141-F238 HydrophobicContact CD1-CE2 4.12Å; L141-F238 HydrophobicContact CD1-CZ 3.66Å; L141-F238 HydrophobicContact CG-CE1 4.5Å; P156-F238 HydrophobicContact CB-CE1 4.41Å; P156-F238 WeakPolarHBondContact O-CZ 3.34Å; Q159-F238 HydrophobicContact CB-CE2 4.14Å; Q159-F238 HydrophobicContact CB-CZ 3.85Å; Q159-F238 WeakPolarHBondContact O-CE2 3.35Å; L160-F238 HydrophobicContact CD2-CE1 4.1Å; L160-F238 HydrophobicContact CD2-CE2 4.14Å; L160-F238 HydrophobicContact CD2-CZ 3.91Å; L160-F238 HydrophobicContact CG-CZ 4.32Å; D236-F238 PolarHBondContact O-N 3.25Å; F238-F240 HydrophobicContact CB-CD2 4.31Å; F238-F240 HydrophobicContact CB-CE2 3.82Å; F238-F240 HydrophobicContact CB-CZ 4.03Å |
| 239 | N | 97.5 | Very high | 96.5 | Very high | 65 Ų | 65 | 50.2 Ų | 50.2 | 35% | 0.348 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 120.4 | 156.8 | -65.5 | -46.7 | 0 | 0 | 0 | 108.5 | V140 K142 F241 | V140-N239 PolarHBondContact N-O 3.25Å; V140-N239 PolarHBondContact O-N 2.94Å; K142-N239 WeakPolarHBondContact CE-OD1 3.43Å; N239-F241 HydrophobicContact CB-CE2 3.87Å; N239-F241 HydrophobicContact CB-CZ 4.13Å |
| 240 | F | 98.3 | Very high | 96.7 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 141.5 | 177.8 | -67.2 | -92.5 | 0 | 0 | 0 | 110.5 | L138 A139 E164 V168 L222 G223 P225 F238 | L138-F240 CarbonylContact O-C 3.56Å; L138-F240 VanDerWaalsContact O-CA 3.3Å; L138-F240 WeakPolarHBondContact O-CA 3.23Å; A139-F240 HydrophobicContact CB-CD1 3.89Å; A139-F240 HydrophobicContact CB-CE1 3.68Å; A139-F240 HydrophobicContact CB-CZ 4.37Å; E164-F240 HydrophobicContact CG-CE1 3.96Å; E164-F240 HydrophobicContact CG-CZ 4.16Å; V168-F240 HydrophobicContact CG1-CD1 4.39Å; V168-F240 HydrophobicContact CG1-CE1 4.32Å; L222-F240 WeakPolarHBondContact CD1-O 3.2Å; G223-F240 PolarHBondContact N-O 3.33Å; P225-F240 HydrophobicContact CB-CD2 4.32Å; P225-F240 HydrophobicContact CB-CE2 3.72Å; P225-F240 HydrophobicContact CB-CZ 3.86Å; P225-F240 HydrophobicContact CG-CD2 4.44Å; P225-F240 HydrophobicContact CG-CE2 4.08Å; F238-F240 HydrophobicContact CB-CD2 4.31Å; F238-F240 HydrophobicContact CB-CE2 3.82Å; F238-F240 HydrophobicContact CB-CZ 4.03Å |
| 241 | F | 98.7 | Very high | 96.7 | Very high | 25 Ų | 25 | 40.7 Ų | 40.7 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134.5 | 173.3 | -59.5 | -83.9 | 0 | 0 | 0 | 111 | R137 L138 V140 I177 V220 K221 L222 N239 | R137-F241 WeakPolarHBondContact CA-O 3.37Å; L138-F241 HydrophobicContact CB-CB 4.25Å; L138-F241 PolarHBondContact N-O 2.89Å; L138-F241 PolarHBondContact O-N 3.45Å; V140-F241 HydrophobicContact CB-CE2 4.15Å; V140-F241 HydrophobicContact CG2-CD2 3.89Å; V140-F241 HydrophobicContact CG2-CE2 3.83Å; I177-F241 HydrophobicContact CD1-CD1 3.81Å; I177-F241 HydrophobicContact CD1-CE1 3.71Å; I177-F241 HydrophobicContact CD1-CG 4.34Å; I177-F241 HydrophobicContact CD1-CZ 4.16Å; I177-F241 HydrophobicContact CG1-CD1 4.45Å; I177-F241 HydrophobicContact CG1-CE1 3.89Å; I177-F241 HydrophobicContact CG1-CZ 4.28Å; V220-F241 HydrophobicContact CG1-CD1 4.47Å; K221-F241 WeakPolarHBondContact O-CA 3.28Å; L222-F241 HydrophobicContact CD1-CD1 4.49Å; L222-F241 HydrophobicContact CD1-CE1 4.13Å; N239-F241 HydrophobicContact CB-CE2 3.87Å; N239-F241 HydrophobicContact CB-CZ 4.13Å |
| 242 | D | 98.7 | Very high | 96.7 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 11% | 0.112 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 114.5 | 173.3 | -75.6 | -9.4 | 0 | 0 | 0 | 108.6 | L135 R137 K221 | L135-D242 HydrophobicContact CD1-CB 3.61Å; R137-D242 IonicContact NE-OD1 2.82Å; K221-D242 HydrophobicContact CD-CB 4.36Å; K221-D242 VanDerWaalsContact CE-CB 3.49Å; K221-D242 WeakPolarHBondContact CE-OD2 3.24Å; K221-D242 HydrophobicContact CG-CB 3.81Å; K221-D242 PolarHBondContact N-O 3.22Å; K221-D242 VanDerWaalsContact N-O 3.12Å; K221-D242 IonicContact NZ-OD2 3.69Å; K221-D242 PolarHBondContact O-N 2.92Å |
| 243 | V | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 114.6 | 177.9 | -170.7 | 0 | 0 | 0 | 0 | 109.1 | L135 Y136 L138 F180 I218 G219 V220 F245 M259 | L135-V243 CarbonylContact C-O 3.59Å; L135-V243 WeakPolarHBondContact CA-O 3.35Å; Y136-V243 PolarHBondContact N-O 2.96Å; Y136-V243 PolarHBondContact O-N 2.74Å; L138-V243 HydrophobicContact CD1-CG2 4.36Å; F180-V243 HydrophobicContact CE1-CG1 4.24Å; F180-V243 HydrophobicContact CE1-CG2 3.93Å; F180-V243 HydrophobicContact CZ-CG1 4.35Å; F180-V243 HydrophobicContact CZ-CG2 3.85Å; I218-V243 HydrophobicContact CG2-CG1 4.03Å; G219-V243 CarbonylContact O-C 3.59Å; G219-V243 WeakPolarHBondContact O-CA 3.02Å; V220-V243 HydrophobicContact CG1-CG2 4.48Å; V220-V243 HydrophobicContact CG2-CG1 4.3Å; V220-V243 HydrophobicContact CG2-CG2 4.5Å; V243-F245 HydrophobicContact CB-CE2 4.14Å; V243-F245 HydrophobicContact CG1-CD2 4.3Å; V243-F245 HydrophobicContact CG1-CE2 3.48Å; V243-F245 VanDerWaalsContact CG1-CE2 3.48Å; V243-F245 HydrophobicContact CG1-CZ 3.65Å; V243-M259 HydrophobicContact CB-SD 4.3Å; V243-M259 HydrophobicContact CG1-SD 4.06Å; V243-M259 HydrophobicContact CG2-CE 4.37Å; V243-M259 HydrophobicContact CG2-SD 4.43Å |
| 244 | T | 98.9 | Very high | 96.9 | Very high | 18 Ų | 18 | 36.6 Ų | 36.6 | 11% | 0.11 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131.1 | -178.7 | -59 | 0 | 0 | 0 | 0 | 110.2 | T133 Y134 I218 G219 I246 | T133-T244 HydrophobicContact CG2-CG2 3.61Å; Y134-T244 CarbonylContact O-C 3.5Å; Y134-T244 WeakPolarHBondContact O-CA 3.39Å; I218-T244 CarbonylContact C-O 3.55Å; I218-T244 VanDerWaalsContact CA-O 3.23Å; I218-T244 WeakPolarHBondContact CA-O 3.43Å; G219-T244 PolarHBondContact N-O 2.89Å; G219-T244 PolarHBondContact O-N 3.12Å; T244-I246 HydrophobicContact CG2-CD1 4.31Å; T244-I246 HydrophobicContact CG2-CG1 4Å |
| 245 | F | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131.8 | 172.9 | -62.6 | -95.1 | 0 | 0 | 0 | 109.7 | T133 Y134 I218 V243 F250 I255 M258 M259 L262 | T133-F245 CarbonylContact C-O 3.52Å; T133-F245 WeakPolarHBondContact CA-O 3.34Å; Y134-F245 PolarHBondContact N-O 3.33Å; Y134-F245 PolarHBondContact O-N 3.3Å; I218-F245 HydrophobicContact CD1-CD1 3.93Å; I218-F245 HydrophobicContact CD1-CE1 3.73Å; I218-F245 HydrophobicContact CG1-CD1 3.72Å; I218-F245 HydrophobicContact CG1-CE1 3.92Å; I218-F245 HydrophobicContact CG2-CD1 4.26Å; I218-F245 HydrophobicContact CG2-CE1 3.93Å; I218-F245 HydrophobicContact CG2-CZ 4.3Å; V243-F245 HydrophobicContact CB-CE2 4.14Å; V243-F245 HydrophobicContact CG1-CD2 4.3Å; V243-F245 HydrophobicContact CG1-CE2 3.48Å; V243-F245 VanDerWaalsContact CG1-CE2 3.48Å; V243-F245 HydrophobicContact CG1-CZ 3.65Å; F245-F250 HydrophobicContact CB-CE1 4.11Å; F245-F250 HydrophobicContact CB-CZ 3.84Å; F245-I255 HydrophobicContact CB-CD1 4.17Å; F245-I255 HydrophobicContact CD1-CG2 4.48Å; F245-I255 HydrophobicContact CD2-CG2 3.68Å; F245-I255 HydrophobicContact CE1-CG2 4.48Å; F245-I255 HydrophobicContact CE2-CG2 3.67Å; F245-I255 HydrophobicContact CG-CD1 4.42Å; F245-I255 HydrophobicContact CG-CG1 4.44Å; F245-I255 HydrophobicContact CG-CG2 4.11Å; F245-I255 HydrophobicContact CZ-CG2 4.1Å; F245-M258 HydrophobicContact CD1-CE 4.03Å; F245-M258 HydrophobicContact CE1-CE 3.79Å; F245-M259 HydrophobicContact CE2-CG 4.06Å; F245-M259 HydrophobicContact CE2-SD 3.7Å; F245-M259 HydrophobicContact CZ-CG 3.92Å; F245-M259 HydrophobicContact CZ-SD 3.5Å; F245-M259 WeakPolarHBondContact CZ-SD 3.48Å; F245-L262 HydrophobicContact CZ-CD1 4.28Å |
| 246 | I | 98.8 | Very high | 97.4 | Very high | 28 Ų | 28 | 33.1 Ų | 33.1 | 14% | 0.144 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 125.3 | 179.1 | -52.4 | -175.9 | 0 | 0 | 0 | 109.7 | E131 T133 K216 H217 T244 | E131-I246 HydrophobicContact CG-CG2 3.36Å; E131-I246 VanDerWaalsContact OE1-CG2 3.24Å; E131-I246 WeakPolarHBondContact OE1-CG2 3.49Å; E131-I246 WeakPolarHBondContact OE2-CG2 3.48Å; T133-I246 HydrophobicContact CG2-CG1 4.16Å; K216-I246 HydrophobicContact CB-CG2 4.35Å; K216-I246 WeakPolarHBondContact CB-O 3.39Å; K216-I246 HydrophobicContact CD-CG2 4.06Å; K216-I246 PolarHBondContact N-O 2.9Å; H217-I246 HydrophobicContact CB-CB 4.11Å; H217-I246 HydrophobicContact CB-CD1 4.2Å; H217-I246 HydrophobicContact CB-CG1 4.27Å; H217-I246 PolarHBondContact N-O 3.41Å; H217-I246 PolarHBondContact O-N 2.93Å; T244-I246 HydrophobicContact CG2-CD1 4.31Å; T244-I246 HydrophobicContact CG2-CG1 4Å |
| 247 | S | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 165.3 | 173.8 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | R132 T214 S249 F250 | R132-S247 PolarHBondContact N-O 3.31Å; R132-S247 PolarHBondContact O-N 2.88Å; R132-S247 VanDerWaalsContact O-N 3.15Å; T214-S247 WeakPolarHBondContact O-CB 3.32Å; T214-S247 PolarHBondContact O-OG 3.33Å; S247-S249 VanDerWaalsContact C-N 3.29Å; S247-S249 PolarHBondContact O-N 3.18Å; S247-S249 PolarHBondContact OG-N 3.45Å; S247-S249 PolarHBondContact OG-O 3.07Å; S247-F250 VanDerWaalsContact CB-CZ 3.42Å |
| 248 | K | 97.8 | Very high | 97.8 | Very high | 145 Ų | 145 | 28.8 Ų | 28.8 | 63% | 0.63 | 13% | 0.133 | S | C | * | . | S | Bend | trans | -57.9 | -43.9 | 167.6 | -177.9 | 178.8 | 178.9 | -178.1 | 0 | 110.9 | R132 | R132-K248 PolarHBondContact NH1-O 3.35Š|
| 249 | S | 96.4 | Very high | 97.9 | Very high | 34 Ų | 34 | 28.5 Ų | 28.5 | 24% | 0.238 | 13% | 0.132 | C | C | . | . | trans | -161.2 | 154.4 | -178.5 | 60.7 | 0 | 0 | 0 | 0 | 111.4 | R213 S247 | R213-S249 PolarHBondContact NE-OG 3.36Å; S247-S249 VanDerWaalsContact C-N 3.29Å; S247-S249 PolarHBondContact O-N 3.18Å; S247-S249 PolarHBondContact OG-N 3.45Å; S247-S249 PolarHBondContact OG-O 3.07Å | ||
| 250 | F | 97.4 | Very high | 98 | Very high | 35 Ų | 35 | 25.5 Ų | 25.5 | 15% | 0.154 | 12% | 0.116 | C | C | . | . | trans | -118.3 | 150.2 | 176.2 | -61.8 | -88 | 0 | 0 | 0 | 110.8 | R132 Y134 F245 S247 Q254 I255 | R132-F250 HydrophobicContact CB-CE2 4.29Å; Y134-F250 AromaticContact CD2-CD2 3.69Å; Y134-F250 HydrophobicContact CD2-CD2 3.69Å; Y134-F250 AromaticContact CD2-CE2 3.56Å; Y134-F250 HydrophobicContact CD2-CE2 3.56Å; Y134-F250 HydrophobicContact CD2-CZ 4.41Å; Y134-F250 AromaticContact CE2-CD2 3.58Å; Y134-F250 HydrophobicContact CE2-CD2 3.58Å; Y134-F250 AromaticContact CE2-CE2 3.92Å; Y134-F250 HydrophobicContact CE2-CE2 3.92Å; Y134-F250 HydrophobicContact CE2-CG 4.49Å; F245-F250 HydrophobicContact CB-CE1 4.11Å; F245-F250 HydrophobicContact CB-CZ 3.84Å; S247-F250 VanDerWaalsContact CB-CZ 3.42Å; F250-Q254 VanDerWaalsContact CA-OE1 3.27Å; F250-Q254 HydrophobicContact CB-CB 4.38Å; F250-I255 HydrophobicContact CD1-CD1 3.77Å; F250-I255 HydrophobicContact CD1-CG1 3.57Å; F250-I255 HydrophobicContact CD2-CD1 4.01Å; F250-I255 HydrophobicContact CE1-CD1 3.86Å; F250-I255 HydrophobicContact CE1-CG1 3.85Å; F250-I255 HydrophobicContact CE2-CD1 4.1Å; F250-I255 HydrophobicContact CG-CD1 3.84Å; F250-I255 HydrophobicContact CG-CG1 4Å; F250-I255 HydrophobicContact CZ-CD1 4.01Å; F250-I255 HydrophobicContact CZ-CG1 4.5Å | ||
| 251 | L | 96.5 | Very high | 98 | Very high | 15 Ų | 15 | 25.2 Ų | 25.2 | 8% | 0.079 | 12% | 0.115 | C | C | . | . | trans | -76.6 | 161.2 | 172.2 | -55.8 | 167.5 | 0 | 0 | 0 | 110.8 | F193 M197 V209 R213 N253 Q254 | F193-L251 HydrophobicContact CB-CD1 3.7Å; M197-L251 HydrophobicContact CB-CB 3.82Å; M197-L251 HydrophobicContact CB-CD1 4.04Å; M197-L251 HydrophobicContact CG-CD1 4.26Å; M197-L251 HydrophobicContact SD-CD1 3.94Å; M197-L251 HydrophobicContact SD-CD2 4.48Å; V209-L251 HydrophobicContact CG2-CD2 4.37Å; R213-L251 HydrophobicContact CG-CG 4.47Å; L251-N253 PolarHBondContact O-N 3.33Å; L251-Q254 HydrophobicContact CB-CB 4.05Å; L251-Q254 VanDerWaalsContact O-CB 3.23Å; L251-Q254 WeakPolarHBondContact O-CB 3.36Å; L251-Q254 PolarHBondContact O-N 3.46Å | ||
| 252 | Y | 94.7 | Very high | 98 | Very high | 140 Ų | 140 | 24 Ų | 24 | 55% | 0.549 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 124.3 | 176.9 | 179 | -129.5 | 0 | 0 | 0 | 111.3 | D71 M197 S198 Q254 | D71-Y252 HydrophobicContact CB-CE2 4.35Å; D71-Y252 WeakPolarHBondContact OD1-CD2 3.36Å; D71-Y252 WeakPolarHBondContact OD1-CE2 3.38Å; M197-Y252 WeakPolarHBondContact CA-O 3.1Å; S198-Y252 PolarHBondContact N-O 3.18Å; Y252-Q254 PolarHBondContact O-N 3.06Å |
| 253 | N | 95.9 | Very high | 98 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.016 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 10.4 | -171.5 | -66.8 | -74.1 | 0 | 0 | 0 | 116.7 | D71 S198 L251 I255 R256 R257 K294 | D71-N253 PolarHBondContact OD2-OD1 3.38Å; S198-N253 PolarHBondContact OG-ND2 3.25Å; L251-N253 PolarHBondContact O-N 3.33Å; N253-I255 PolarHBondContact O-N 2.71Å; N253-R256 PolarHBondContact O-N 2.84Å; N253-R257 PolarHBondContact O-N 3.28Å; N253-K294 HydrophobicContact CB-CD 4.42Å; N253-K294 PolarHBondContact ND2-NZ 2.98Å; N253-K294 WeakPolarHBondContact OD1-CD 3.34Å; N253-K294 PolarHBondContact OD1-NZ 3.34Å |
| 254 | Q | 97.8 | Very high | 98 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -53.5 | -58.3 | -176.3 | -172.2 | 179.8 | -9.2 | 0 | 0 | 113.6 | F193 F196 F250 L251 Y252 R256 R257 M258 | F193-Q254 HydrophobicContact CD1-CG 4.34Å; F196-Q254 HydrophobicContact CB-CG 4.33Å; F196-Q254 WeakPolarHBondContact O-CA 3.31Å; F250-Q254 VanDerWaalsContact CA-OE1 3.27Å; F250-Q254 HydrophobicContact CB-CB 4.38Å; L251-Q254 HydrophobicContact CB-CB 4.05Å; L251-Q254 VanDerWaalsContact O-CB 3.23Å; L251-Q254 WeakPolarHBondContact O-CB 3.36Å; L251-Q254 PolarHBondContact O-N 3.46Å; Y252-Q254 PolarHBondContact O-N 3.06Å; Q254-R256 VanDerWaalsContact C-N 3.25Å; Q254-R256 PolarHBondContact O-N 3.03Å; Q254-R257 PolarHBondContact O-N 3.41Å; Q254-M258 HydrophobicContact CG-CG 4.49Å; Q254-M258 HydrophobicContact CG-SD 3.7Å; Q254-M258 VanDerWaalsContact O-CG 3.31Å; Q254-M258 WeakPolarHBondContact O-CG 3.33Å; Q254-M258 PolarHBondContact O-N 3.07Å |
| 255 | I | 98.5 | Very high | 97.9 | Very high | 6 Ų | 6 | 22.3 Ų | 22.3 | 3% | 0.031 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.8 | -38.2 | -176.6 | -61.9 | 176 | 0 | 0 | 0 | 110.7 | Y134 F245 F250 N253 M258 M259 L300 | Y134-I255 VanDerWaalsContact CB-CD1 3.48Å; Y134-I255 HydrophobicContact CD1-CD1 3.86Å; Y134-I255 HydrophobicContact CD2-CD1 3.48Å; Y134-I255 VanDerWaalsContact CD2-CD1 3.48Å; Y134-I255 HydrophobicContact CE1-CD1 4.43Å; Y134-I255 HydrophobicContact CE2-CD1 4.12Å; Y134-I255 HydrophobicContact CG-CD1 3.32Å; F245-I255 HydrophobicContact CB-CD1 4.17Å; F245-I255 HydrophobicContact CD1-CG2 4.48Å; F245-I255 HydrophobicContact CD2-CG2 3.68Å; F245-I255 HydrophobicContact CE1-CG2 4.48Å; F245-I255 HydrophobicContact CE2-CG2 3.67Å; F245-I255 HydrophobicContact CG-CD1 4.42Å; F245-I255 HydrophobicContact CG-CG1 4.44Å; F245-I255 HydrophobicContact CG-CG2 4.11Å; F245-I255 HydrophobicContact CZ-CG2 4.1Å; F250-I255 HydrophobicContact CD1-CD1 3.77Å; F250-I255 HydrophobicContact CD1-CG1 3.57Å; F250-I255 HydrophobicContact CD2-CD1 4.01Å; F250-I255 HydrophobicContact CE1-CD1 3.86Å; F250-I255 HydrophobicContact CE1-CG1 3.85Å; F250-I255 HydrophobicContact CE2-CD1 4.1Å; F250-I255 HydrophobicContact CG-CD1 3.84Å; F250-I255 HydrophobicContact CG-CG1 4Å; F250-I255 HydrophobicContact CZ-CD1 4.01Å; F250-I255 HydrophobicContact CZ-CG1 4.5Å; N253-I255 PolarHBondContact O-N 2.71Å; I255-M258 PolarHBondContact O-N 2.85Å; I255-M259 HydrophobicContact CG2-CG 4.23Å; I255-M259 WeakPolarHBondContact O-CB 3.12Å; I255-M259 VanDerWaalsContact O-CG 3.31Å; I255-M259 WeakPolarHBondContact O-CG 3.49Å; I255-M259 PolarHBondContact O-N 3.38Å; I255-L300 HydrophobicContact CB-CD1 4.39Å; I255-L300 HydrophobicContact CD1-CD1 4.4Å; I255-L300 HydrophobicContact CG2-CD1 3.74Å |
| 256 | R | 98.5 | Very high | 97.9 | Very high | 22 Ų | 22 | 22.3 Ų | 22.3 | 8% | 0.083 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69 | -36.2 | -178.6 | -63 | 175.3 | 65.8 | -179.1 | 3.8 | 112.4 | D71 N253 Q254 A260 K294 A295 L300 | D71-R256 WeakPolarHBondContact OD2-CD 3.25Å; D71-R256 IonicContact OD2-NH1 2.69Å; D71-R256 PolarHBondContact OD2-NH1 3.3Å; N253-R256 PolarHBondContact O-N 2.84Å; Q254-R256 VanDerWaalsContact C-N 3.25Å; Q254-R256 PolarHBondContact O-N 3.03Å; R256-A260 PolarHBondContact O-N 2.76Å; R256-A260 VanDerWaalsContact O-N 3.14Å; R256-K294 HydrophobicContact CB-CB 4.24Å; R256-A295 HydrophobicContact CB-CB 4.31Å; R256-A295 VanDerWaalsContact CZ-O 3.3Å; R256-A295 PolarHBondContact NE-O 2.77Å; R256-A295 PolarHBondContact NH2-O 2.99Å; R256-A295 VanDerWaalsContact O-CB 3.23Å; R256-A295 WeakPolarHBondContact O-CB 3.33Å; R256-A295 PolarHBondContact O-N 3.45Å; R256-L300 HydrophobicContact CG-CD2 3.91Å |
| 257 | R | 98 | Very high | 97.9 | Very high | 31 Ų | 31 | 22.1 Ų | 22.1 | 12% | 0.117 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -70.7 | -42.4 | 173.1 | -76 | -171.3 | 170.5 | -155.4 | 3.5 | 111.5 | S195 F196 M197 N253 Q254 A260 C261 P284 Y287 K294 | S195-R257 PolarHBondContact O-NH1 3.17Å; F196-R257 VanDerWaalsContact C-CD 3.43Å; F196-R257 HydrophobicContact CB-CB 4.33Å; F196-R257 HydrophobicContact CD1-CB 4.12Å; F196-R257 VanDerWaalsContact O-CD 3.26Å; F196-R257 WeakPolarHBondContact O-CD 3.33Å; M197-R257 PolarHBondContact O-NH1 2.66Å; M197-R257 PolarHBondContact O-NH2 2.93Å; N253-R257 PolarHBondContact O-N 3.28Å; Q254-R257 PolarHBondContact O-N 3.41Å; R257-A260 PolarHBondContact O-N 3.21Å; R257-C261 PolarHBondContact O-N 3.17Å; R257-P284 PolarHBondContact NH1-O 3.14Å; R257-Y287 HydrophobicContact CB-CD2 4.12Å; R257-Y287 HydrophobicContact CB-CE2 3.52Å; R257-Y287 HydrophobicContact CG-CD1 4.45Å; R257-Y287 HydrophobicContact CG-CD2 4.18Å; R257-Y287 HydrophobicContact CG-CE1 4.01Å; R257-Y287 HydrophobicContact CG-CE2 3.71Å; R257-K294 HydrophobicContact CG-CB 4.29Å |
| 258 | M | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.6 | -50.2 | 173.5 | -69.3 | 168.6 | 57.9 | 0 | 0 | 111.1 | F187 F193 F196 V215 I218 F245 Q254 I255 A260 C261 L262 | F187-M258 HydrophobicContact CB-CE 3.62Å; F187-M258 HydrophobicContact CD1-CE 3.98Å; F187-M258 HydrophobicContact CD1-CG 4.09Å; F187-M258 HydrophobicContact CD1-SD 4.48Å; F187-M258 HydrophobicContact CD2-CE 4.06Å; F187-M258 HydrophobicContact CE1-CB 4.48Å; F187-M258 HydrophobicContact CE1-CG 3.85Å; F187-M258 HydrophobicContact CE2-CB 4.26Å; F187-M258 HydrophobicContact CE2-CG 4.46Å; F187-M258 HydrophobicContact CG-CE 3.65Å; F187-M258 HydrophobicContact CG-CG 4.47Å; F187-M258 HydrophobicContact CZ-CB 4.18Å; F187-M258 HydrophobicContact CZ-CG 4.05Å; F193-M258 HydrophobicContact CD1-SD 4.36Å; F193-M258 HydrophobicContact CE1-CE 4.48Å; F193-M258 HydrophobicContact CE1-SD 3.97Å; F196-M258 HydrophobicContact CB-CG 4.47Å; F196-M258 HydrophobicContact CD1-CG 3.93Å; F196-M258 HydrophobicContact CG-CG 4.28Å; V215-M258 HydrophobicContact CG2-CE 4.47Å; I218-M258 HydrophobicContact CD1-CE 3.79Å; F245-M258 HydrophobicContact CD1-CE 4.03Å; F245-M258 HydrophobicContact CE1-CE 3.79Å; Q254-M258 HydrophobicContact CG-CG 4.49Å; Q254-M258 HydrophobicContact CG-SD 3.7Å; Q254-M258 VanDerWaalsContact O-CG 3.31Å; Q254-M258 WeakPolarHBondContact O-CG 3.33Å; Q254-M258 PolarHBondContact O-N 3.07Å; I255-M258 PolarHBondContact O-N 2.85Å; M258-A260 VanDerWaalsContact C-N 3.29Å; M258-A260 PolarHBondContact O-N 2.96Å; M258-C261 WeakPolarHBondContact O-CB 3.25Å; M258-C261 PolarHBondContact O-N 2.87Å; M258-C261 VanDerWaalsContact O-N 3.09Å; M258-L262 WeakPolarHBondContact O-CG 3.43Å; M258-L262 PolarHBondContact O-N 2.87Å |
| 259 | M | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.2 | -39.7 | 177.4 | -79.9 | -60.4 | -53.5 | 0 | 0 | 112.9 | Y136 L138 F180 V243 F245 I255 L262 V263 A295 | Y136-M259 HydrophobicContact CD1-CE 3.56Å; Y136-M259 HydrophobicContact CD1-CG 4.34Å; Y136-M259 HydrophobicContact CD1-SD 4.3Å; Y136-M259 HydrophobicContact CD2-CG 3.77Å; Y136-M259 HydrophobicContact CE1-CE 4.01Å; Y136-M259 HydrophobicContact CE2-CG 4.24Å; Y136-M259 HydrophobicContact CG-CE 3.94Å; Y136-M259 HydrophobicContact CG-CG 3.84Å; Y136-M259 HydrophobicContact CG-SD 4.07Å; L138-M259 HydrophobicContact CD1-CE 4.07Å; L138-M259 HydrophobicContact CD2-CE 3.76Å; L138-M259 HydrophobicContact CG-CE 4.14Å; F180-M259 HydrophobicContact CE2-CE 4.04Å; F180-M259 HydrophobicContact CZ-CE 3.82Å; F180-M259 HydrophobicContact CZ-SD 4.04Å; V243-M259 HydrophobicContact CB-SD 4.3Å; V243-M259 HydrophobicContact CG1-SD 4.06Å; V243-M259 HydrophobicContact CG2-CE 4.37Å; V243-M259 HydrophobicContact CG2-SD 4.43Å; F245-M259 HydrophobicContact CE2-CG 4.06Å; F245-M259 HydrophobicContact CE2-SD 3.7Å; F245-M259 HydrophobicContact CZ-CG 3.92Å; F245-M259 HydrophobicContact CZ-SD 3.5Å; F245-M259 WeakPolarHBondContact CZ-SD 3.48Å; I255-M259 HydrophobicContact CG2-CG 4.23Å; I255-M259 WeakPolarHBondContact O-CB 3.12Å; I255-M259 VanDerWaalsContact O-CG 3.31Å; I255-M259 WeakPolarHBondContact O-CG 3.49Å; I255-M259 PolarHBondContact O-N 3.38Å; M259-L262 PolarHBondContact O-N 2.82Å; M259-L262 HydrophobicContact SD-CD1 4.12Å; M259-V263 HydrophobicContact CE-CG2 4.4Å; M259-V263 WeakPolarHBondContact O-CG2 3.24Å; M259-V263 PolarHBondContact O-N 3.02Å; M259-A295 HydrophobicContact CB-CB 3.64Å |
| 260 | A | 98.5 | Very high | 97.8 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 3% | 0.025 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.6 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | R256 R257 M258 A264 Y287 R293 | R256-A260 PolarHBondContact O-N 2.76Å; R256-A260 VanDerWaalsContact O-N 3.14Å; R257-A260 PolarHBondContact O-N 3.21Å; M258-A260 VanDerWaalsContact C-N 3.29Å; M258-A260 PolarHBondContact O-N 2.96Å; A260-A264 VanDerWaalsContact O-CB 3.24Å; A260-A264 WeakPolarHBondContact O-CB 3.27Å; A260-A264 PolarHBondContact O-N 2.57Å; A260-Y287 VanDerWaalsContact CB-OH 3.24Å; A260-Y287 WeakPolarHBondContact CB-OH 3.14Å; A260-R293 VanDerWaalsContact CB-O 3.24Å; A260-R293 WeakPolarHBondContact CB-O 3.48Å |
| 261 | C | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.4 | -39.9 | 173.6 | -69.1 | 0 | 0 | 0 | 0 | 112.5 | F187 R257 M258 A264 T265 M270 I275 | F187-C261 HydrophobicContact CZ-CB 4.27Å; R257-C261 PolarHBondContact O-N 3.17Å; M258-C261 WeakPolarHBondContact O-CB 3.25Å; M258-C261 PolarHBondContact O-N 2.87Å; M258-C261 VanDerWaalsContact O-N 3.09Å; C261-A264 PolarHBondContact O-N 2.86Å; C261-T265 WeakPolarHBondContact O-CB 3.37Å; C261-T265 PolarHBondContact O-N 3.39Å; C261-T265 PolarHBondContact O-OG1 2.84Å; C261-M270 HydrophobicContact CB-SD 3.74Å; C261-I275 HydrophobicContact CB-CD1 4.1Å; C261-I275 HydrophobicContact CB-CG1 4Å |
| 262 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.7 | -46.4 | 177.5 | -64.5 | 176 | 0 | 0 | 0 | 111.4 | F180 A183 A184 F187 F245 M258 M259 T265 A266 | F180-L262 HydrophobicContact CD2-CB 3.73Å; F180-L262 HydrophobicContact CE1-CB 4.39Å; F180-L262 HydrophobicContact CE1-CD1 4.09Å; F180-L262 HydrophobicContact CE2-CB 3.33Å; F180-L262 HydrophobicContact CE2-CD1 4.28Å; F180-L262 HydrophobicContact CE2-CG 4.4Å; F180-L262 HydrophobicContact CG-CB 4.44Å; F180-L262 HydrophobicContact CZ-CB 3.69Å; F180-L262 HydrophobicContact CZ-CD1 3.72Å; F180-L262 HydrophobicContact CZ-CG 4.31Å; A183-L262 VanDerWaalsContact C-CD2 3.47Å; A183-L262 HydrophobicContact CB-CD2 3.67Å; A184-L262 HydrophobicContact CB-CD1 4.42Å; A184-L262 HydrophobicContact CB-CD2 4.04Å; A184-L262 VanDerWaalsContact N-CD2 3.33Å; F187-L262 HydrophobicContact CD2-CD2 3.96Å; F187-L262 HydrophobicContact CD2-CG 4.44Å; F187-L262 HydrophobicContact CE2-CD2 3.71Å; F187-L262 HydrophobicContact CE2-CG 4Å; F245-L262 HydrophobicContact CZ-CD1 4.28Å; M258-L262 WeakPolarHBondContact O-CG 3.43Å; M258-L262 PolarHBondContact O-N 2.87Å; M259-L262 PolarHBondContact O-N 2.82Å; M259-L262 HydrophobicContact SD-CD1 4.12Å; L262-T265 PolarHBondContact O-N 3.47Å; L262-A266 WeakPolarHBondContact O-CB 3.25Å; L262-A266 PolarHBondContact O-N 2.78Å |
| 263 | V | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.8 | -39.1 | 174.7 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | W169 L171 F175 F180 M259 T265 A266 T267 | W169-V263 HydrophobicContact CE3-CG2 3.98Å; W169-V263 HydrophobicContact CH2-CB 3.76Å; W169-V263 HydrophobicContact CH2-CG1 3.86Å; W169-V263 HydrophobicContact CH2-CG2 3.76Å; W169-V263 HydrophobicContact CZ2-CG1 4.18Å; W169-V263 HydrophobicContact CZ3-CB 3.93Å; W169-V263 HydrophobicContact CZ3-CG1 4.35Å; W169-V263 HydrophobicContact CZ3-CG2 3.39Å; L171-V263 HydrophobicContact CD1-CG1 4.04Å; L171-V263 HydrophobicContact CD1-CG2 3.99Å; L171-V263 HydrophobicContact CD2-CG1 3.75Å; F175-V263 HydrophobicContact CE2-CG2 4.19Å; F180-V263 HydrophobicContact CE2-CG2 4.13Å; M259-V263 HydrophobicContact CE-CG2 4.4Å; M259-V263 WeakPolarHBondContact O-CG2 3.24Å; M259-V263 PolarHBondContact O-N 3.02Å; V263-T265 VanDerWaalsContact C-N 3.27Å; V263-T265 PolarHBondContact O-N 3.22Å; V263-A266 PolarHBondContact O-N 2.91Å; V263-T267 HydrophobicContact CG1-CG2 4.25Å; V263-T267 WeakPolarHBondContact O-CB 3.42Å; V263-T267 VanDerWaalsContact O-CG2 3.3Å; V263-T267 WeakPolarHBondContact O-CG2 3.49Å; V263-T267 PolarHBondContact O-N 3.45Å; V263-T267 PolarHBondContact O-OG1 2.75Å |
| 264 | A | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.6 | -37.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A260 C261 T267 N268 R269 M270 L292 | A260-A264 VanDerWaalsContact O-CB 3.24Å; A260-A264 WeakPolarHBondContact O-CB 3.27Å; A260-A264 PolarHBondContact O-N 2.57Å; C261-A264 PolarHBondContact O-N 2.86Å; A264-T267 WeakPolarHBondContact CA-OG1 3.13Å; A264-T267 CarbonylContact O-C 3.58Å; A264-T267 PolarHBondContact O-N 2.66Å; A264-T267 PolarHBondContact O-OG1 3.04Å; A264-N268 PolarHBondContact O-N 3.21Å; A264-R269 HydrophobicContact CB-CB 4.33Å; A264-R269 PolarHBondContact O-N 2.94Å; A264-M270 HydrophobicContact CB-CB 3.75Å; A264-M270 PolarHBondContact O-N 3.01Å; A264-L292 HydrophobicContact CB-CD1 4.02Å; A264-L292 HydrophobicContact CB-CD2 3.8Å |
| 265 | T | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -71.4 | -39.2 | 177.5 | -53.2 | 0 | 0 | 0 | 0 | 112.3 | R179 A183 C261 L262 V263 T267 N268 M270 V272 | R179-T265 PolarHBondContact NE-O 2.77Å; R179-T265 PolarHBondContact NH2-O 3.49Å; A183-T265 HydrophobicContact CB-CG2 3.74Å; C261-T265 WeakPolarHBondContact O-CB 3.37Å; C261-T265 PolarHBondContact O-N 3.39Å; C261-T265 PolarHBondContact O-OG1 2.84Å; L262-T265 PolarHBondContact O-N 3.47Å; V263-T265 VanDerWaalsContact C-N 3.27Å; V263-T265 PolarHBondContact O-N 3.22Å; T265-T267 VanDerWaalsContact C-N 3.27Å; T265-T267 PolarHBondContact O-N 2.96Å; T265-N268 PolarHBondContact O-N 3.16Å; T265-M270 WeakPolarHBondContact CA-O 3.27Å; T265-V272 HydrophobicContact CG2-CG2 4.17Å |
| 266 | A | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.4 | -27.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F175 D176 F180 L262 V263 | F175-A266 HydrophobicContact CD1-CB 4.48Å; F175-A266 HydrophobicContact CD2-CB 3.51Å; F175-A266 HydrophobicContact CE1-CB 4.39Å; F175-A266 HydrophobicContact CE2-CB 3.4Å; F175-A266 VanDerWaalsContact CE2-CB 3.4Å; F175-A266 HydrophobicContact CG-CB 4.08Å; F175-A266 HydrophobicContact CZ-CB 3.89Å; D176-A266 PolarHBondContact N-O 2.97Å; D176-A266 WeakPolarHBondContact O-CB 3.19Å; F180-A266 HydrophobicContact CB-CB 3.95Å; F180-A266 HydrophobicContact CD2-CB 4.15Å; L262-A266 WeakPolarHBondContact O-CB 3.25Å; L262-A266 PolarHBondContact O-N 2.78Å; V263-A266 PolarHBondContact O-N 2.91Å |
| 267 | T | 97.3 | Very high | 98.1 | Very high | 24 Ų | 24 | 39.1 Ų | 39.1 | 15% | 0.147 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 14.4 | 178.8 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | N174 V263 A264 T265 R269 | N174-T267 VanDerWaalsContact O-CG2 3.31Å; N174-T267 WeakPolarHBondContact O-CG2 3.39Å; V263-T267 HydrophobicContact CG1-CG2 4.25Å; V263-T267 WeakPolarHBondContact O-CB 3.42Å; V263-T267 VanDerWaalsContact O-CG2 3.3Å; V263-T267 WeakPolarHBondContact O-CG2 3.49Å; V263-T267 PolarHBondContact O-N 3.45Å; V263-T267 PolarHBondContact O-OG1 2.75Å; A264-T267 WeakPolarHBondContact CA-OG1 3.13Å; A264-T267 CarbonylContact O-C 3.58Å; A264-T267 PolarHBondContact O-N 2.66Å; A264-T267 PolarHBondContact O-OG1 3.04Å; T265-T267 VanDerWaalsContact C-N 3.27Å; T265-T267 PolarHBondContact O-N 2.96Å; T267-R269 PolarHBondContact O-N 3.27Å; T267-R269 VanDerWaalsContact O-N 3.12Å; T267-R269 PolarHBondContact OG1-NE 3.49Å |
| 268 | N | 97 | Very high | 98.1 | Very high | 108 Ų | 108 | 37.6 Ų | 37.6 | 58% | 0.578 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 15.7 | -179.8 | -54.6 | -33.9 | 0 | 0 | 0 | 116 | R179 A264 T265 | R179-N268 WeakPolarHBondContact CD-OD1 3.03Å; R179-N268 PolarHBondContact NE-OD1 3.28Å; R179-N268 VanDerWaalsContact NE-OD1 3.07Å; R179-N268 PolarHBondContact NH1-OD1 3.44Å; R179-N268 PolarHBondContact NH2-OD1 3.27Å; A264-N268 PolarHBondContact O-N 3.21Å; T265-N268 PolarHBondContact O-N 3.16Å |
| 269 | R | 96.8 | Very high | 98.1 | Very high | 154 Ų | 154 | 38.3 Ų | 38.3 | 58% | 0.581 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -88.2 | -7.9 | 177 | -61.8 | -171.7 | -62.9 | 125.2 | -1.7 | 113.7 | A264 T267 | A264-R269 HydrophobicContact CB-CB 4.33Å; A264-R269 PolarHBondContact O-N 2.94Å; T267-R269 PolarHBondContact O-N 3.27Å; T267-R269 VanDerWaalsContact O-N 3.12Å; T267-R269 PolarHBondContact OG1-NE 3.49Å |
| 270 | M | 97 | Very high | 98 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -148.6 | 152.6 | 179.6 | -177 | 173 | -92.7 | 0 | 0 | 109.3 | R179 C261 A264 T265 D274 I275 L278 F290 L292 | R179-M270 PolarHBondContact NH2-O 2.77Å; C261-M270 HydrophobicContact CB-SD 3.74Å; A264-M270 HydrophobicContact CB-CB 3.75Å; A264-M270 PolarHBondContact O-N 3.01Å; T265-M270 WeakPolarHBondContact CA-O 3.27Å; M270-D274 HydrophobicContact CE-CB 4.23Å; M270-D274 HydrophobicContact CG-CB 3.66Å; M270-D274 HydrophobicContact SD-CB 4.29Å; M270-I275 HydrophobicContact SD-CG1 3.91Å; M270-L278 HydrophobicContact CE-CD1 4.41Å; M270-F290 HydrophobicContact CE-CB 3.69Å; M270-F290 HydrophobicContact CE-CD1 3.26Å; M270-F290 HydrophobicContact CE-CD2 4.02Å; M270-F290 HydrophobicContact CE-CE1 3.83Å; M270-F290 HydrophobicContact CE-CE2 4.5Å; M270-F290 HydrophobicContact CE-CG 3.36Å; M270-F290 HydrophobicContact CE-CZ 4.4Å; M270-L292 HydrophobicContact CE-CD1 3.61Å; M270-L292 HydrophobicContact SD-CD1 4.22Å |
| 271 | E | 97.4 | Very high | 98 | Very high | 94 Ų | 94 | 48 Ų | 48 | 44% | 0.439 | 22% | 0.222 | S | C | . | . | trans | -108.2 | 158.4 | 171.3 | -71 | -175.9 | -150.9 | 0 | 0 | 111.4 | K273 D274 | E271-K273 HydrophobicContact CB-CD 4.41Å; E271-K273 HydrophobicContact CB-CG 3.93Å; E271-K273 PolarHBondContact O-N 3.38Å; E271-K273 VanDerWaalsContact O-N 3.15Å; E271-K273 IonicContact OE1-NZ 3.11Å; E271-K273 PolarHBondContact OE1-NZ 2.93Å; E271-K273 VanDerWaalsContact OE1-NZ 3.11Å; E271-K273 WeakPolarHBondContact OE2-CD 3.47Å; E271-K273 WeakPolarHBondContact OE2-CE 3.29Å; E271-K273 IonicContact OE2-NZ 2.67Å; E271-K273 PolarHBondContact OE2-NZ 3.45Å; E271-D274 PolarHBondContact N-OD2 3.43Å; E271-D274 VanDerWaalsContact O-CB 3.3Å; E271-D274 WeakPolarHBondContact O-CB 3.49Å; E271-D274 PolarHBondContact O-N 3.47Å | ||
| 272 | V | 98.1 | Very high | 97.8 | Very high | 39 Ų | 39 | 50.6 Ų | 50.6 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.8 | -29.8 | 176.6 | -178.3 | 0 | 0 | 0 | 0 | 111.9 | A183 A186 T265 D274 I275 K276 | A183-V272 HydrophobicContact CB-CG2 4.12Å; A186-V272 HydrophobicContact CB-CG1 4.07Å; T265-V272 HydrophobicContact CG2-CG2 4.17Å; V272-D274 PolarHBondContact O-N 3.24Å; V272-I275 PolarHBondContact O-N 2.96Å; V272-K276 WeakPolarHBondContact O-CG 2.98Å; V272-K276 PolarHBondContact O-N 2.89Å |
| 273 | K | 97.9 | Very high | 97.5 | Very high | 123 Ų | 123 | 52.7 Ų | 52.7 | 54% | 0.535 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63 | -30.3 | 175.4 | 74.5 | -172 | -178.1 | -149.8 | 0 | 112.7 | E271 K276 W277 | E271-K273 HydrophobicContact CB-CD 4.41Å; E271-K273 HydrophobicContact CB-CG 3.93Å; E271-K273 PolarHBondContact O-N 3.38Å; E271-K273 VanDerWaalsContact O-N 3.15Å; E271-K273 IonicContact OE1-NZ 3.11Å; E271-K273 PolarHBondContact OE1-NZ 2.93Å; E271-K273 VanDerWaalsContact OE1-NZ 3.11Å; E271-K273 WeakPolarHBondContact OE2-CD 3.47Å; E271-K273 WeakPolarHBondContact OE2-CE 3.29Å; E271-K273 IonicContact OE2-NZ 2.67Å; E271-K273 PolarHBondContact OE2-NZ 3.45Å; K273-K276 PolarHBondContact O-N 3.49Å; K273-W277 WeakPolarHBondContact O-CB 3.44Å; K273-W277 PolarHBondContact O-N 3.14Å |
| 274 | D | 98.1 | Very high | 97.2 | Very high | 38 Ų | 38 | 52.8 Ų | 52.8 | 20% | 0.203 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -72.4 | -38.6 | 179.1 | -57.2 | -39.7 | 0 | 0 | 0 | 110.8 | M270 E271 V272 W277 L278 F290 | M270-D274 HydrophobicContact CE-CB 4.23Å; M270-D274 HydrophobicContact CG-CB 3.66Å; M270-D274 HydrophobicContact SD-CB 4.29Å; E271-D274 PolarHBondContact N-OD2 3.43Å; E271-D274 VanDerWaalsContact O-CB 3.3Å; E271-D274 WeakPolarHBondContact O-CB 3.49Å; E271-D274 PolarHBondContact O-N 3.47Å; V272-D274 PolarHBondContact O-N 3.24Å; D274-W277 PolarHBondContact O-N 3.33Å; D274-L278 WeakPolarHBondContact O-CG 3.39Å; D274-L278 PolarHBondContact O-N 2.72Å; D274-F290 HydrophobicContact CB-CD1 4.48Å; D274-F290 HydrophobicContact CB-CE1 3.58Å; D274-F290 HydrophobicContact CB-CZ 3.88Å |
| 275 | I | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 171.8 | -67.7 | 171.4 | 0 | 0 | 0 | 110.1 | A183 A186 F187 C261 M270 V272 W277 L278 L279 | A183-I275 HydrophobicContact CB-CD1 3.9Å; A186-I275 HydrophobicContact CB-CG2 4Å; F187-I275 HydrophobicContact CD1-CG2 4.13Å; F187-I275 HydrophobicContact CD2-CG2 4.38Å; F187-I275 HydrophobicContact CE1-CG2 3.54Å; F187-I275 HydrophobicContact CE2-CD1 3.99Å; F187-I275 HydrophobicContact CE2-CG1 4.49Å; F187-I275 HydrophobicContact CE2-CG2 3.82Å; F187-I275 HydrophobicContact CZ-CB 4.39Å; F187-I275 HydrophobicContact CZ-CD1 4.18Å; F187-I275 HydrophobicContact CZ-CG1 4.18Å; F187-I275 HydrophobicContact CZ-CG2 3.36Å; C261-I275 HydrophobicContact CB-CD1 4.1Å; C261-I275 HydrophobicContact CB-CG1 4Å; M270-I275 HydrophobicContact SD-CG1 3.91Å; V272-I275 PolarHBondContact O-N 2.96Å; I275-W277 VanDerWaalsContact C-N 3.33Å; I275-W277 PolarHBondContact O-N 2.94Å; I275-L278 WeakPolarHBondContact O-CB 3.32Å; I275-L278 PolarHBondContact O-N 2.67Å; I275-L279 HydrophobicContact CG2-CD1 4.06Å; I275-L279 WeakPolarHBondContact O-CG 3.28Å; I275-L279 PolarHBondContact O-N 3.37Å; I275-L279 VanDerWaalsContact O-N 3.08Å |
| 276 | K | 98.3 | Very high | 96.8 | Very high | 110 Ų | 110 | 55.7 Ų | 55.7 | 48% | 0.478 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 176.4 | -69.8 | 179.5 | 177.8 | -176.4 | 0 | 111.4 | V272 K273 L278 L279 E280 | V272-K276 WeakPolarHBondContact O-CG 2.98Å; V272-K276 PolarHBondContact O-N 2.89Å; K273-K276 PolarHBondContact O-N 3.49Å; K276-L278 VanDerWaalsContact C-N 3.33Å; K276-L278 PolarHBondContact O-N 3.06Å; K276-L279 WeakPolarHBondContact O-CB 3.35Å; K276-L279 PolarHBondContact O-N 3.2Å; K276-L279 VanDerWaalsContact O-N 3.1Å; K276-E280 WeakPolarHBondContact O-CB 3.44Å; K276-E280 WeakPolarHBondContact O-CG 3.17Å; K276-E280 PolarHBondContact O-N 3.49Å |
| 277 | W | 98.3 | Very high | 96.6 | Very high | 88 Ų | 88 | 56 Ų | 56 | 33% | 0.333 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 175.9 | -177.8 | 87.5 | 0 | 0 | 0 | 112.4 | K273 D274 I275 L279 E280 N281 N286 K289 F290 | K273-W277 WeakPolarHBondContact O-CB 3.44Å; K273-W277 PolarHBondContact O-N 3.14Å; D274-W277 PolarHBondContact O-N 3.33Å; I275-W277 VanDerWaalsContact C-N 3.33Å; I275-W277 PolarHBondContact O-N 2.94Å; W277-L279 VanDerWaalsContact C-N 3.31Å; W277-L279 PolarHBondContact O-N 2.87Å; W277-E280 PolarHBondContact O-N 3.16Å; W277-N281 VanDerWaalsContact CD1-ND2 3.34Å; W277-N281 HydrophobicContact CD2-CB 4.48Å; W277-N281 HydrophobicContact CH2-CB 4.4Å; W277-N281 HydrophobicContact CZ2-CB 4.14Å; W277-N281 PolarHBondContact NE1-ND2 3.4Å; W277-N281 WeakPolarHBondContact O-CB 3.41Å; W277-N281 PolarHBondContact O-N 3.36Å; W277-N281 PolarHBondContact O-ND2 3.37Å; W277-N286 HydrophobicContact CH2-CB 4.01Å; W277-N286 HydrophobicContact CZ3-CB 3.88Å; W277-K289 HydrophobicContact CH2-CD 3.99Å; W277-K289 HydrophobicContact CZ3-CD 4.42Å; W277-F290 AromaticContact CE3-CE2 3.99Å; W277-F290 HydrophobicContact CE3-CE2 3.99Å; W277-F290 HydrophobicContact CE3-CZ 4.02Å; W277-F290 AromaticContact CZ3-CE2 3.95Å; W277-F290 HydrophobicContact CZ3-CE2 3.95Å; W277-F290 HydrophobicContact CZ3-CZ 4.33Å |
| 278 | L | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.3 | -34.1 | 175.5 | -78.2 | 166.8 | 0 | 0 | 0 | 113.1 | S195 F196 M270 D274 I275 K276 N286 F290 | S195-L278 VanDerWaalsContact CB-O 3.26Å; S195-L278 WeakPolarHBondContact CB-O 3.49Å; S195-L278 PolarHBondContact OG-O 3.02Å; F196-L278 HydrophobicContact CE1-CD1 4.15Å; F196-L278 HydrophobicContact CE2-CB 3.72Å; F196-L278 HydrophobicContact CZ-CB 3.55Å; F196-L278 HydrophobicContact CZ-CD1 3.79Å; F196-L278 HydrophobicContact CZ-CG 4.29Å; M270-L278 HydrophobicContact CE-CD1 4.41Å; D274-L278 WeakPolarHBondContact O-CG 3.39Å; D274-L278 PolarHBondContact O-N 2.72Å; I275-L278 WeakPolarHBondContact O-CB 3.32Å; I275-L278 PolarHBondContact O-N 2.67Å; K276-L278 VanDerWaalsContact C-N 3.33Å; K276-L278 PolarHBondContact O-N 3.06Å; L278-N286 HydrophobicContact CD2-CB 4.01Å; L278-F290 HydrophobicContact CD1-CD2 3.96Å; L278-F290 HydrophobicContact CD1-CE2 3.77Å; L278-F290 HydrophobicContact CD1-CZ 4.48Å; L278-F290 HydrophobicContact CD2-CD2 4.06Å; L278-F290 HydrophobicContact CD2-CE2 3.64Å; L278-F290 HydrophobicContact CG-CD2 4.22Å; L278-F290 HydrophobicContact CG-CE2 3.61Å; L278-F290 HydrophobicContact CG-CZ 4.33Å |
| 279 | L | 98.3 | Very high | 96.1 | Very high | 15 Ų | 15 | 59.4 Ų | 59.4 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -75.4 | -35.3 | 176.2 | -65.6 | 166.2 | 0 | 0 | 0 | 112 | A186 F187 H191 F193 F196 I275 K276 W277 | A186-L279 WeakPolarHBondContact O-CD1 3.42Å; F187-L279 HydrophobicContact CD1-CD1 4.17Å; F187-L279 HydrophobicContact CD1-CD2 4.17Å; F187-L279 HydrophobicContact CE1-CD1 4.46Å; F187-L279 HydrophobicContact CE1-CD2 4.34Å; H191-L279 HydrophobicContact CB-CD2 3.83Å; F193-L279 HydrophobicContact CD1-CD2 4.03Å; F193-L279 HydrophobicContact CE1-CD2 3.91Å; F196-L279 HydrophobicContact CD2-CD2 4.03Å; F196-L279 HydrophobicContact CE2-CD2 3.57Å; F196-L279 HydrophobicContact CE2-CG 3.92Å; F196-L279 HydrophobicContact CZ-CD2 4.49Å; I275-L279 HydrophobicContact CG2-CD1 4.06Å; I275-L279 WeakPolarHBondContact O-CG 3.28Å; I275-L279 PolarHBondContact O-N 3.37Å; I275-L279 VanDerWaalsContact O-N 3.08Å; K276-L279 WeakPolarHBondContact O-CB 3.35Å; K276-L279 PolarHBondContact O-N 3.2Å; K276-L279 VanDerWaalsContact O-N 3.1Å; W277-L279 VanDerWaalsContact C-N 3.31Å; W277-L279 PolarHBondContact O-N 2.87Å |
| 280 | E | 98 | Very high | 96 | Very high | 143 Ų | 143 | 54.6 Ų | 54.6 | 67% | 0.668 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -78.7 | -21.9 | 177.7 | -71 | 167.2 | -174.5 | 0 | 0 | 113 | K276 W277 P282 | K276-E280 WeakPolarHBondContact O-CB 3.44Å; K276-E280 WeakPolarHBondContact O-CG 3.17Å; K276-E280 PolarHBondContact O-N 3.49Å; W277-E280 PolarHBondContact O-N 3.16Å; E280-P282 VanDerWaalsContact O-CD 3.25Å; E280-P282 WeakPolarHBondContact O-CD 3.37Å |
| 281 | N | 97 | Very high | 95.8 | Very high | 63 Ų | 63 | 61.4 Ų | 61.4 | 34% | 0.337 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -119.2 | 71.2 | 179.7 | -63.4 | -95 | 0 | 0 | 0 | 110.2 | S195 W277 D283 N286 | S195-N281 PolarHBondContact OG-O 3.25Å; W277-N281 VanDerWaalsContact CD1-ND2 3.34Å; W277-N281 HydrophobicContact CD2-CB 4.48Å; W277-N281 HydrophobicContact CH2-CB 4.4Å; W277-N281 HydrophobicContact CZ2-CB 4.14Å; W277-N281 PolarHBondContact NE1-ND2 3.4Å; W277-N281 WeakPolarHBondContact O-CB 3.41Å; W277-N281 PolarHBondContact O-N 3.36Å; W277-N281 PolarHBondContact O-ND2 3.37Å; N281-D283 PolarHBondContact O-N 2.88Å; N281-N286 PolarHBondContact O-ND2 2.96Å |
| 282 | P | 94.6 | Very high | 95.6 | Very high | 54 Ų | 54 | 57.9 Ų | 57.9 | 35% | 0.351 | 29% | 0.294 | S | S | . | . | trans | -69.1 | 100.3 | -173.1 | 28.2 | -35.6 | 0 | 0 | 0 | 112.4 | N192 A194 S195 E280 | N192-P282 HydrophobicContact CB-CB 3.91Å; N192-P282 HydrophobicContact CB-CG 4.13Å; N192-P282 WeakPolarHBondContact OD1-CB 3.39Å; A194-P282 HydrophobicContact CB-CB 3.72Å; S195-P282 WeakPolarHBondContact OG-CA 3.48Å; E280-P282 VanDerWaalsContact O-CD 3.25Å; E280-P282 WeakPolarHBondContact O-CD 3.37Å | ||
| 283 | D | 93.8 | Very high | 95.4 | Very high | 45 Ų | 45 | 67.1 Ų | 67.1 | 24% | 0.241 | 32% | 0.324 | C | S | . | . | trans | -151.3 | 127.5 | 168.9 | -168.6 | -43.2 | 0 | 0 | 0 | 110 | S195 K201 N281 A285 N286 | S195-D283 WeakPolarHBondContact CA-O 3.3Å; S195-D283 PolarHBondContact OG-N 2.69Å; S195-D283 VanDerWaalsContact OG-N 3.09Å; S195-D283 PolarHBondContact OG-O 2.96Å; K201-D283 VanDerWaalsContact NZ-CG 3.27Å; K201-D283 IonicContact NZ-OD1 3.36Å; K201-D283 PolarHBondContact NZ-OD1 2.86Å; K201-D283 VanDerWaalsContact NZ-OD1 3.12Å; K201-D283 IonicContact NZ-OD2 2.77Å; K201-D283 PolarHBondContact NZ-OD2 3.4Å; N281-D283 PolarHBondContact O-N 2.88Å; D283-A285 PolarHBondContact O-N 3.14Å; D283-A285 WeakPolarHBondContact OD1-CB 3.46Å; D283-A285 PolarHBondContact OD1-N 2.77Å; D283-N286 HydrophobicContact CB-CB 4.45Å; D283-N286 WeakPolarHBondContact O-CB 3.47Å; D283-N286 PolarHBondContact O-N 2.71Å | ||
| 284 | P | 92.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.019 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -27.8 | 175.9 | -27.5 | 33.6 | 0 | 0 | 0 | 115.1 | A194 M197 K199 L207 R257 | A194-P284 VanDerWaalsContact O-CA 3.28Å; A194-P284 WeakPolarHBondContact O-CA 3.44Å; A194-P284 WeakPolarHBondContact O-CD 3.37Å; A194-P284 WeakPolarHBondContact O-CG 3.23Å; M197-P284 HydrophobicContact CG-CG 4.25Å; K199-P284 HydrophobicContact CG-CB 4.27Å; L207-P284 HydrophobicContact CD2-CG 3.97Å; R257-P284 PolarHBondContact NH1-O 3.14Å |
| 285 | A | 92.2 | Very high | 95.4 | Very high | 42 Ų | 42 | 63.2 Ų | 63.2 | 35% | 0.347 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -18.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | D283 Y287 S288 | D283-A285 PolarHBondContact O-N 3.14Å; D283-A285 WeakPolarHBondContact OD1-CB 3.46Å; D283-A285 PolarHBondContact OD1-N 2.77Å; A285-Y287 VanDerWaalsContact C-N 3.3Å; A285-Y287 PolarHBondContact O-N 2.84Å; A285-S288 PolarHBondContact O-OG 2.79Å |
| 286 | N | 94.7 | Very high | 95.3 | Very high | 21 Ų | 21 | 65.5 Ų | 65.5 | 11% | 0.112 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -29.1 | 178.5 | -79.1 | -25.2 | 0 | 0 | 0 | 112.2 | W277 L278 N281 D283 S288 K289 | W277-N286 HydrophobicContact CH2-CB 4.01Å; W277-N286 HydrophobicContact CZ3-CB 3.88Å; L278-N286 HydrophobicContact CD2-CB 4.01Å; N281-N286 PolarHBondContact O-ND2 2.96Å; D283-N286 HydrophobicContact CB-CB 4.45Å; D283-N286 WeakPolarHBondContact O-CB 3.47Å; D283-N286 PolarHBondContact O-N 2.71Å; N286-S288 VanDerWaalsContact C-N 3.34Å; N286-S288 PolarHBondContact O-N 2.69Å; N286-K289 VanDerWaalsContact O-CB 3.31Å; N286-K289 WeakPolarHBondContact O-CB 3.21Å; N286-K289 WeakPolarHBondContact O-CG 3.36Å; N286-K289 PolarHBondContact O-N 2.82Å; N286-K289 WeakPolarHBondContact OD1-CE 3.42Å; N286-K289 PolarHBondContact OD1-NZ 2.79Å |
| 287 | Y | 94.3 | Very high | 95.3 | Very high | 8 Ų | 8 | 61.4 Ų | 61.4 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -62.4 | -37.1 | 178.4 | -176.9 | -89.8 | 0 | 0 | 0 | 113.4 | S195 R257 A260 A285 K289 F290 L292 | S195-Y287 VanDerWaalsContact O-CB 3.24Å; S195-Y287 WeakPolarHBondContact O-CB 3.42Å; R257-Y287 HydrophobicContact CB-CD2 4.12Å; R257-Y287 HydrophobicContact CB-CE2 3.52Å; R257-Y287 HydrophobicContact CG-CD1 4.45Å; R257-Y287 HydrophobicContact CG-CD2 4.18Å; R257-Y287 HydrophobicContact CG-CE1 4.01Å; R257-Y287 HydrophobicContact CG-CE2 3.71Å; A260-Y287 VanDerWaalsContact CB-OH 3.24Å; A260-Y287 WeakPolarHBondContact CB-OH 3.14Å; A285-Y287 VanDerWaalsContact C-N 3.3Å; A285-Y287 PolarHBondContact O-N 2.84Å; Y287-K289 PolarHBondContact O-N 2.82Å; Y287-F290 PolarHBondContact O-N 2.9Å; Y287-L292 HydrophobicContact CE1-CB 4.25Å; Y287-L292 VanDerWaalsContact CE1-O 3.27Å; Y287-L292 WeakPolarHBondContact CE1-O 3.39Å |
| 288 | S | 91.4 | Very high | 95.2 | Very high | 72 Ų | 72 | 58.1 Ų | 58.1 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -67 | -18.2 | -180 | 46 | 0 | 0 | 0 | 0 | 113.3 | A285 N286 F290 N291 | A285-S288 PolarHBondContact O-OG 2.79Å; N286-S288 VanDerWaalsContact C-N 3.34Å; N286-S288 PolarHBondContact O-N 2.69Å; S288-F290 PolarHBondContact O-N 3.03Å; S288-F290 VanDerWaalsContact O-N 3.15Å; S288-N291 PolarHBondContact O-N 2.98Å; S288-N291 VanDerWaalsContact O-N 3.09Å; S288-N291 PolarHBondContact O-OD1 2.71Å |
| 289 | K | 93.3 | Very high | 95.2 | Very high | 130 Ų | 130 | 58.1 Ų | 58.1 | 57% | 0.565 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -61.6 | -22.4 | 176.6 | -63.7 | 176.4 | 172.3 | 172.4 | 0 | 113.3 | W277 N286 Y287 | W277-K289 HydrophobicContact CH2-CD 3.99Å; W277-K289 HydrophobicContact CZ3-CD 4.42Å; N286-K289 VanDerWaalsContact O-CB 3.31Å; N286-K289 WeakPolarHBondContact O-CB 3.21Å; N286-K289 WeakPolarHBondContact O-CG 3.36Å; N286-K289 PolarHBondContact O-N 2.82Å; N286-K289 WeakPolarHBondContact OD1-CE 3.42Å; N286-K289 PolarHBondContact OD1-NZ 2.79Å; Y287-K289 PolarHBondContact O-N 2.82Å |
| 290 | F | 93.6 | Very high | 95.3 | Very high | 54 Ų | 54 | 57.7 Ų | 57.7 | 24% | 0.237 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -93.5 | 2 | -179.7 | -64.4 | -82.7 | 0 | 0 | 0 | 113.5 | M270 D274 W277 L278 Y287 S288 L292 | M270-F290 HydrophobicContact CE-CB 3.69Å; M270-F290 HydrophobicContact CE-CD1 3.26Å; M270-F290 HydrophobicContact CE-CD2 4.02Å; M270-F290 HydrophobicContact CE-CE1 3.83Å; M270-F290 HydrophobicContact CE-CE2 4.5Å; M270-F290 HydrophobicContact CE-CG 3.36Å; M270-F290 HydrophobicContact CE-CZ 4.4Å; D274-F290 HydrophobicContact CB-CD1 4.48Å; D274-F290 HydrophobicContact CB-CE1 3.58Å; D274-F290 HydrophobicContact CB-CZ 3.88Å; W277-F290 AromaticContact CE3-CE2 3.99Å; W277-F290 HydrophobicContact CE3-CE2 3.99Å; W277-F290 HydrophobicContact CE3-CZ 4.02Å; W277-F290 AromaticContact CZ3-CE2 3.95Å; W277-F290 HydrophobicContact CZ3-CE2 3.95Å; W277-F290 HydrophobicContact CZ3-CZ 4.33Å; L278-F290 HydrophobicContact CD1-CD2 3.96Å; L278-F290 HydrophobicContact CD1-CE2 3.77Å; L278-F290 HydrophobicContact CD1-CZ 4.48Å; L278-F290 HydrophobicContact CD2-CD2 4.06Å; L278-F290 HydrophobicContact CD2-CE2 3.64Å; L278-F290 HydrophobicContact CG-CD2 4.22Å; L278-F290 HydrophobicContact CG-CE2 3.61Å; L278-F290 HydrophobicContact CG-CZ 4.33Å; Y287-F290 PolarHBondContact O-N 2.9Å; S288-F290 PolarHBondContact O-N 3.03Å; S288-F290 VanDerWaalsContact O-N 3.15Å; F290-L292 HydrophobicContact CB-CD1 4.18Å; F290-L292 HydrophobicContact CB-CG 3.94Å; F290-L292 PolarHBondContact O-N 2.96Å |
| 291 | N | 93.2 | Very high | 95.3 | Very high | 148 Ų | 148 | 51.5 Ų | 51.5 | 79% | 0.791 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 34.6 | -179.5 | -62.3 | -37.3 | 0 | 0 | 0 | 113.5 | S288 | S288-N291 PolarHBondContact O-N 2.98Å; S288-N291 VanDerWaalsContact O-N 3.09Å; S288-N291 PolarHBondContact O-OD1 2.71Å |
| 292 | L | 93.8 | Very high | 95.4 | Very high | 19 Ų | 19 | 48.5 Ų | 48.5 | 10% | 0.099 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -93 | 125.2 | 179.4 | -63.8 | -177.5 | 0 | 0 | 0 | 110.7 | A264 M270 Y287 F290 | A264-L292 HydrophobicContact CB-CD1 4.02Å; A264-L292 HydrophobicContact CB-CD2 3.8Å; M270-L292 HydrophobicContact CE-CD1 3.61Å; M270-L292 HydrophobicContact SD-CD1 4.22Å; Y287-L292 HydrophobicContact CE1-CB 4.25Å; Y287-L292 VanDerWaalsContact CE1-O 3.27Å; Y287-L292 WeakPolarHBondContact CE1-O 3.39Å; F290-L292 HydrophobicContact CB-CD1 4.18Å; F290-L292 HydrophobicContact CB-CG 3.94Å; F290-L292 PolarHBondContact O-N 2.96Å |
| 293 | R | 94.2 | Very high | 95.6 | Very high | 233 Ų | 233 | 49.7 Ų | 49.7 | 88% | 0.879 | 25% | 0.25 | S | C | * | . | P | Polyproline II helix | trans | -71.2 | 137.7 | 161.6 | -65.3 | -177.8 | 178.8 | -178.3 | -2.9 | 108.7 | A260 | A260-R293 VanDerWaalsContact CB-O 3.24Å; A260-R293 WeakPolarHBondContact CB-O 3.48Å |
| 294 | K | 96.4 | Very high | 95.8 | Very high | 80 Ų | 80 | 51 Ų | 51 | 35% | 0.348 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 146.6 | 173 | 62.3 | -174.1 | 176.2 | -175.1 | 0 | 109.7 | N253 R256 R257 | N253-K294 HydrophobicContact CB-CD 4.42Å; N253-K294 PolarHBondContact ND2-NZ 2.98Å; N253-K294 WeakPolarHBondContact OD1-CD 3.34Å; N253-K294 PolarHBondContact OD1-NZ 3.34Å; R256-K294 HydrophobicContact CB-CB 4.24Å; R257-K294 HydrophobicContact CG-CB 4.29Å |
| 295 | A | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -55 | 145.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y136 W169 R256 M259 | Y136-A295 HydrophobicContact CE2-CB 4Å; Y136-A295 WeakPolarHBondContact OH-CB 3.48Å; W169-A295 HydrophobicContact CE3-CB 3.76Å; W169-A295 HydrophobicContact CH2-CB 4.09Å; W169-A295 HydrophobicContact CZ3-CB 3.4Å; R256-A295 HydrophobicContact CB-CB 4.31Å; R256-A295 VanDerWaalsContact CZ-O 3.3Å; R256-A295 PolarHBondContact NE-O 2.77Å; R256-A295 PolarHBondContact NH2-O 2.99Å; R256-A295 VanDerWaalsContact O-CB 3.23Å; R256-A295 WeakPolarHBondContact O-CB 3.33Å; R256-A295 PolarHBondContact O-N 3.45Å; M259-A295 HydrophobicContact CB-CB 3.64Å |
| 296 | P | 98.1 | Very high | 96.4 | Very high | 47 Ų | 47 | 54 Ų | 54 | 31% | 0.305 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 146.8 | 176 | -27.4 | 36.1 | 0 | 0 | 0 | 112.4 | Y136 W169 | Y136-P296 WeakPolarHBondContact CE2-O 3.35Å; Y136-P296 WeakPolarHBondContact OH-CD 2.89Å; Y136-P296 PolarHBondContact OH-O 2.96Å; W169-P296 VanDerWaalsContact CD2-CD 3.43Å; W169-P296 HydrophobicContact CD2-CG 4.09Å; W169-P296 HydrophobicContact CG-CG 3.89Å |
| 297 | S | 98.2 | Very high | 96.6 | Very high | 25 Ų | 25 | 53.9 Ų | 53.9 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -72.3 | -32 | 178.6 | 39.4 | 0 | 0 | 0 | 0 | 112.6 | S72 G299 L300 | S72-S297 WeakPolarHBondContact O-CB 3.15Å; S72-S297 PolarHBondContact O-OG 3.46Å; S297-G299 PolarHBondContact O-N 3.44Å; S297-G299 VanDerWaalsContact O-N 3.14Å; S297-L300 WeakPolarHBondContact O-CB 3.33Å; S297-L300 PolarHBondContact O-N 3.37Å |
| 298 | A | 96.5 | Very high | 96.7 | Very high | 18 Ų | 18 | 57 Ų | 57 | 15% | 0.149 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -29.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | H75 Q166 R167 L300 | H75-A298 PolarHBondContact CD2-O 3.48Å; H75-A298 PolarHBondContact NE2-O 2.89Å; Q166-A298 HydrophobicContact CB-CB 4.36Å; R167-A298 CarbonylContact C-O 3.49Å; R167-A298 VanDerWaalsContact C-O 3.25Å; R167-A298 WeakPolarHBondContact CA-O 3.47Å; A298-L300 VanDerWaalsContact C-N 3.33Å |
| 299 | G | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -16.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y136 R137 S297 F301 | Y136-G299 CarbonylContact C-O 3.46Å; Y136-G299 VanDerWaalsContact CA-O 3.22Å; Y136-G299 WeakPolarHBondContact CA-O 3.35Å; R137-G299 PolarHBondContact N-O 3.02Å; S297-G299 PolarHBondContact O-N 3.44Å; S297-G299 VanDerWaalsContact O-N 3.14Å; G299-F301 WeakPolarHBondContact O-CD2 3.4Å |
| 300 | L | 98.8 | Very high | 97.1 | Very high | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 130.9 | -169.1 | -175.6 | 64.9 | 0 | 0 | 0 | 112.4 | V74 H75 Y134 Y136 I255 R256 S297 A298 | V74-L300 HydrophobicContact CG1-CB 4.17Å; V74-L300 HydrophobicContact CG1-CD2 3.93Å; V74-L300 HydrophobicContact CG1-CG 3.88Å; V74-L300 HydrophobicContact CG2-CB 4.36Å; V74-L300 HydrophobicContact CG2-CD2 3.99Å; H75-L300 PolarHBondContact N-O 2.91Å; Y134-L300 HydrophobicContact CD1-CD1 3.64Å; Y134-L300 HydrophobicContact CD1-CD2 4.31Å; Y134-L300 HydrophobicContact CD1-CG 3.98Å; Y134-L300 HydrophobicContact CE1-CD2 4.46Å; Y134-L300 HydrophobicContact CE1-CG 4.48Å; Y134-L300 HydrophobicContact CG-CD1 4.26Å; Y136-L300 HydrophobicContact CD2-CB 3.77Å; Y136-L300 HydrophobicContact CD2-CD1 3.9Å; Y136-L300 HydrophobicContact CD2-CG 4.39Å; Y136-L300 HydrophobicContact CE2-CB 3.9Å; I255-L300 HydrophobicContact CB-CD1 4.39Å; I255-L300 HydrophobicContact CD1-CD1 4.4Å; I255-L300 HydrophobicContact CG2-CD1 3.74Å; R256-L300 HydrophobicContact CG-CD2 3.91Å; S297-L300 WeakPolarHBondContact O-CB 3.33Å; S297-L300 PolarHBondContact O-N 3.37Å; A298-L300 VanDerWaalsContact C-N 3.33Å |
| 301 | F | 98.8 | Very high | 97.3 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 6% | 0.057 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 127 | 177.5 | -62.8 | -105 | 0 | 0 | 0 | 109.3 | H75 L77 Y134 L135 R137 R167 G299 K303 | H75-F301 HydrophobicContact CB-CD1 3.33Å; H75-F301 HydrophobicContact CB-CE1 3.44Å; H75-F301 VanDerWaalsContact CB-CE1 3.44Å; H75-F301 HydrophobicContact CB-CG 3.97Å; H75-F301 HydrophobicContact CB-CZ 4.16Å; H75-F301 AromaticContact CD2-CE1 3.78Å; H75-F301 AromaticContact CD2-CE2 3.99Å; H75-F301 AromaticContact CD2-CZ 3.59Å; H75-F301 AromaticContact CG-CD1 3.97Å; H75-F301 AromaticContact CG-CE1 3.55Å; H75-F301 AromaticContact CG-CZ 3.86Å; H75-F301 CarbonylContact O-C 3.59Å; H75-F301 WeakPolarHBondContact O-CA 3.48Å; L77-F301 HydrophobicContact CD2-CD1 3.95Å; L77-F301 HydrophobicContact CG-CB 4.34Å; L77-F301 HydrophobicContact CG-CD1 4.08Å; Y134-F301 CarbonylContact C-O 3.46Å; Y134-F301 VanDerWaalsContact CA-O 3.29Å; Y134-F301 WeakPolarHBondContact CA-O 3.41Å; Y134-F301 WeakPolarHBondContact CD1-O 3.41Å; L135-F301 HydrophobicContact CB-CB 4.3Å; L135-F301 PolarHBondContact N-O 3.23Å; L135-F301 PolarHBondContact O-N 2.75Å; R137-F301 HydrophobicContact CG-CE2 4.46Å; R167-F301 HydrophobicContact CB-CZ 4.19Å; R167-F301 WeakPolarHBondContact O-CE2 3.36Å; G299-F301 WeakPolarHBondContact O-CD2 3.4Å; F301-K303 PolarHBondContact O-N 2.9Å; F301-K303 VanDerWaalsContact O-N 3.15Å |
| 302 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 106.9 | 158 | 174.2 | 64.8 | 0 | 0 | 0 | 108.1 | S68 T70 H75 A76 L77 M78 N79 Y134 I305 | S68-L302 VanDerWaalsContact CB-CD2 3.49Å; T70-L302 HydrophobicContact CG2-CB 4.41Å; H75-L302 PolarHBondContact O-N 3.31Å; A76-L302 CarbonylContact C-O 3.6Å; A76-L302 WeakPolarHBondContact CA-O 3.49Å; A76-L302 HydrophobicContact CB-CB 3.93Å; A76-L302 HydrophobicContact CB-CD2 4.36Å; L77-L302 PolarHBondContact N-O 2.77Å; M78-L302 PolarHBondContact N-O 2.87Å; M78-L302 WeakPolarHBondContact O-CG 3.4Å; N79-L302 HydrophobicContact CB-CD2 3.65Å; N79-L302 VanDerWaalsContact CG-CD2 3.4Å; N79-L302 WeakPolarHBondContact OD1-CD2 3.49Å; Y134-L302 HydrophobicContact CD1-CB 4.17Å; Y134-L302 HydrophobicContact CD1-CD1 4.46Å; Y134-L302 HydrophobicContact CD2-CD1 4.1Å; Y134-L302 HydrophobicContact CE1-CB 3.77Å; Y134-L302 HydrophobicContact CE1-CD1 4.06Å; Y134-L302 HydrophobicContact CE1-CG 4.49Å; Y134-L302 HydrophobicContact CE2-CD1 3.64Å; Y134-L302 HydrophobicContact CG-CD1 4.5Å; L302-I305 HydrophobicContact CD1-CG1 4.17Å; L302-I305 HydrophobicContact CD2-CD1 4.13Å; L302-I305 HydrophobicContact CD2-CG1 4.42Å |
| 303 | K | 98.8 | Very high | 97.7 | Very high | 79 Ų | 79 | 52.2 Ų | 52.2 | 34% | 0.343 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -44.8 | -170.1 | 178.1 | 177.1 | 177.6 | -172.8 | 0 | 112.4 | L77 T133 L135 F301 | L77-K303 HydrophobicContact CD1-CG 4.19Å; T133-K303 HydrophobicContact CG2-CB 4.24Å; T133-K303 HydrophobicContact CG2-CD 4.05Å; T133-K303 HydrophobicContact CG2-CG 4.46Å; T133-K303 WeakPolarHBondContact O-CA 3.37Å; T133-K303 WeakPolarHBondContact O-CB 3.23Å; T133-K303 PolarHBondContact O-N 3.46Å; L135-K303 HydrophobicContact CB-CB 4.19Å; L135-K303 HydrophobicContact CB-CD 4.2Å; F301-K303 PolarHBondContact O-N 2.9Å; F301-K303 VanDerWaalsContact O-N 3.15Å |
| 304 | N | 98.4 | Very high | 97.8 | Very high | 72 Ų | 72 | 47.1 Ų | 47.1 | 39% | 0.385 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 155.2 | -176.7 | -165.8 | 28.7 | 0 | 0 | 0 | 111.8 | M78 T133 | M78-N304 PolarHBondContact SD-OD1 3.01Å; T133-N304 PolarHBondContact N-O 3Å; T133-N304 PolarHBondContact O-N 3.45Å; T133-N304 VanDerWaalsContact O-N 3.11Å |
| 305 | I | 98.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 125.3 | 169.3 | -48.5 | -178.3 | 0 | 0 | 0 | 108.6 | S67 S68 M78 T80 A129 E131 R132 L302 Y307 | S67-I305 WeakPolarHBondContact OG-CD1 3.44Å; S68-I305 WeakPolarHBondContact OG-CD1 3.42Å; M78-I305 HydrophobicContact SD-CB 4.12Å; M78-I305 HydrophobicContact SD-CG1 4.23Å; M78-I305 PolarHBondContact SD-N 2.93Å; M78-I305 VanDerWaalsContact SD-N 3.39Å; T80-I305 HydrophobicContact CG2-CD1 4.36Å; A129-I305 HydrophobicContact CB-CG2 3.59Å; E131-I305 WeakPolarHBondContact O-CA 3.37Å; R132-I305 HydrophobicContact CG-CG1 4.42Å; R132-I305 HydrophobicContact CG-CG2 4.24Å; L302-I305 HydrophobicContact CD1-CG1 4.17Å; L302-I305 HydrophobicContact CD2-CD1 4.13Å; L302-I305 HydrophobicContact CD2-CG1 4.42Å; I305-Y307 HydrophobicContact CB-CE2 3.87Å; I305-Y307 HydrophobicContact CG2-CD2 4.3Å; I305-Y307 HydrophobicContact CG2-CE2 3.47Å; I305-Y307 VanDerWaalsContact CG2-CE2 3.47Å; I305-Y307 WeakPolarHBondContact CG2-OH 3.44Å |
| 306 | H | 98.2 | Very high | 97.5 | Very high | 104 Ų | 104 | 50 Ų | 50 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 136.1 | 179.5 | -178.1 | -97.8 | 0 | 0 | 0 | 111.4 | R130 E131 | R130-H306 PolarHBondContact N-O 3.49Å; E131-H306 HydrophobicContact CB-CB 4.05Å; E131-H306 PolarHBondContact O-N 3.06Å |
| 307 | Y | 98.2 | Very high | 97.3 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | trans | -125.4 | 153.9 | 175.9 | -66.1 | -85.3 | 0 | 0 | 0 | 109.7 | F5 S67 T80 F123 A125 H128 A129 I305 F312 | F5-Y307 AromaticContact CE2-CE2 4Å; F5-Y307 HydrophobicContact CE2-CE2 4Å; F5-Y307 AromaticContact CE2-CZ 3.99Å; F5-Y307 HydrophobicContact CZ-CD2 4.1Å; F5-Y307 AromaticContact CZ-CE2 3.79Å; F5-Y307 HydrophobicContact CZ-CE2 3.79Å; S67-Y307 WeakPolarHBondContact CB-OH 3.48Å; S67-Y307 PolarHBondContact OG-OH 3.02Å; S67-Y307 VanDerWaalsContact OG-OH 3.04Å; T80-Y307 HydrophobicContact CG2-CE2 3.95Å; T80-Y307 PolarHBondContact OG1-OH 3.44Å; F123-Y307 HydrophobicContact CE2-CD1 4.03Å; F123-Y307 HydrophobicContact CE2-CE1 4.49Å; F123-Y307 AromaticContact CZ-CD1 3.54Å; F123-Y307 HydrophobicContact CZ-CD1 3.54Å; F123-Y307 AromaticContact CZ-CE1 3.7Å; F123-Y307 HydrophobicContact CZ-CE1 3.7Å; F123-Y307 HydrophobicContact CZ-CG 4.3Å; A125-Y307 VanDerWaalsContact O-CE1 3.24Å; A125-Y307 WeakPolarHBondContact O-CE1 3.32Å; A125-Y307 PolarHBondContact O-OH 3.37Å; H128-Y307 HydrophobicContact CB-CD1 4.37Å; A129-Y307 VanDerWaalsContact CA-CE1 3.49Å; A129-Y307 HydrophobicContact CB-CE1 3.81Å; I305-Y307 HydrophobicContact CB-CE2 3.87Å; I305-Y307 HydrophobicContact CG2-CD2 4.3Å; I305-Y307 HydrophobicContact CG2-CE2 3.47Å; I305-Y307 VanDerWaalsContact CG2-CE2 3.47Å; I305-Y307 WeakPolarHBondContact CG2-OH 3.44Å; Y307-F312 HydrophobicContact CD2-CZ 4.36Å; Y307-F312 HydrophobicContact CG-CZ 4.08Å | ||
| 308 | D | 97.3 | Very high | 97.1 | Very high | 74 Ų | 74 | 55.2 Ų | 55.2 | 40% | 0.396 | 29% | 0.287 | S | S | . | . | trans | -79.8 | 124.8 | 162 | -169.6 | -39.2 | 0 | 0 | 0 | 107.9 | S310 D311 | D308-S310 PolarHBondContact O-N 3.21Å; D308-S310 WeakPolarHBondContact OD1-CB 3.5Å; D308-S310 PolarHBondContact OD1-N 3.2Å; D308-S310 PolarHBondContact OD1-OG 3.49Å; D308-D311 WeakPolarHBondContact CB-OD2 3.49Å; D308-D311 WeakPolarHBondContact O-CB 3.21Å; D308-D311 PolarHBondContact O-N 3.25Å | ||
| 309 | E | 96.6 | Very high | 96.9 | Very high | 120 Ų | 120 | 57.2 Ų | 57.2 | 56% | 0.561 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.6 | -27.5 | -179.2 | -78.5 | -69.9 | 157.1 | 0 | 0 | 112.2 | R117 D311 F312 | R117-E309 IonicContact NH1-OE1 2.79Å; R117-E309 PolarHBondContact NH1-OE1 3.27Å; R117-E309 IonicContact NH1-OE2 3.04Å; R117-E309 PolarHBondContact NH1-OE2 2.73Å; E309-D311 VanDerWaalsContact C-N 3.27Å; E309-D311 PolarHBondContact O-N 3.16Å; E309-F312 WeakPolarHBondContact O-CD2 3.39Å; E309-F312 PolarHBondContact O-N 3.19Å; E309-F312 WeakPolarHBondContact OE2-CD2 3.46Å; E309-F312 WeakPolarHBondContact OE2-CE2 3.03Å |
| 310 | S | 97.4 | Very high | 96 | Very high | 61 Ų | 61 | 59.1 Ų | 59.1 | 43% | 0.427 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.7 | -29.8 | 176.3 | 66.7 | 0 | 0 | 0 | 0 | 113 | D308 F312 L313 N314 | D308-S310 PolarHBondContact O-N 3.21Å; D308-S310 WeakPolarHBondContact OD1-CB 3.5Å; D308-S310 PolarHBondContact OD1-N 3.2Å; D308-S310 PolarHBondContact OD1-OG 3.49Å; S310-F312 PolarHBondContact O-N 3.2Å; S310-L313 PolarHBondContact O-N 2.92Å; S310-N314 PolarHBondContact O-N 3.04Å |
| 311 | D | 97.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 60.6 Ų | 60.6 | 3% | 0.032 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.2 | -26.5 | 180 | -72.4 | -38.4 | 0 | 0 | 0 | 111.7 | F123 H128 R130 D308 E309 L313 P315 | F123-D311 HydrophobicContact CD2-CB 3.98Å; F123-D311 VanDerWaalsContact CD2-O 3.23Å; F123-D311 WeakPolarHBondContact CD2-O 3.35Å; F123-D311 HydrophobicContact CE2-CB 3.9Å; H128-D311 HydrophobicContact CB-CB 4.42Å; H128-D311 IonicContact CD2-OD1 2.88Å; H128-D311 IonicContact CD2-OD2 2.69Å; R130-D311 IonicContact CZ-OD2 3.71Å; R130-D311 IonicContact NE-OD2 3.2Å; R130-D311 PolarHBondContact NE-OD2 3.45Å; R130-D311 IonicContact NH2-OD1 3.92Å; R130-D311 PolarHBondContact NH2-OD1 2.9Å; R130-D311 IonicContact NH2-OD2 2.67Å; R130-D311 PolarHBondContact NH2-OD2 3.39Å; D308-D311 WeakPolarHBondContact CB-OD2 3.49Å; D308-D311 WeakPolarHBondContact O-CB 3.21Å; D308-D311 PolarHBondContact O-N 3.25Å; E309-D311 VanDerWaalsContact C-N 3.27Å; E309-D311 PolarHBondContact O-N 3.16Å; D311-L313 PolarHBondContact O-N 3.05Å; D311-P315 WeakPolarHBondContact O-CA 3.37Å; D311-P315 WeakPolarHBondContact O-CB 3.38Å; D311-P315 VanDerWaalsContact O-CD 3.26Å; D311-P315 WeakPolarHBondContact O-CD 3.43Å |
| 312 | F | 97.4 | Very high | 92.4 | Very high | 10 Ų | 10 | 66.7 Ų | 66.7 | 4% | 0.044 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.8 | -32 | 178.5 | -68.6 | -60.9 | 0 | 0 | 0 | 112.6 | F5 R117 V119 S120 F123 Y307 E309 S310 | F5-F312 AromaticContact CD1-CE1 4Å; F5-F312 HydrophobicContact CD1-CE1 4Å; F5-F312 HydrophobicContact CD1-CZ 4.46Å; F5-F312 HydrophobicContact CD2-CE1 4.01Å; F5-F312 AromaticContact CE1-CE1 3.98Å; F5-F312 HydrophobicContact CE1-CE1 3.98Å; F5-F312 HydrophobicContact CE1-CZ 4.06Å; F5-F312 AromaticContact CE2-CE1 3.97Å; F5-F312 HydrophobicContact CE2-CE1 3.97Å; F5-F312 HydrophobicContact CE2-CZ 4.49Å; F5-F312 AromaticContact CG-CE1 3.97Å; F5-F312 HydrophobicContact CG-CE1 3.97Å; F5-F312 AromaticContact CZ-CE1 3.92Å; F5-F312 HydrophobicContact CZ-CE1 3.92Å; F5-F312 HydrophobicContact CZ-CZ 4.04Å; R117-F312 VanDerWaalsContact NH1-CE2 3.3Å; V119-F312 HydrophobicContact CB-CD1 4.34Å; V119-F312 HydrophobicContact CG1-CB 4.12Å; V119-F312 HydrophobicContact CG1-CD1 3.49Å; V119-F312 VanDerWaalsContact CG1-CD1 3.49Å; V119-F312 HydrophobicContact CG1-CE1 4.28Å; V119-F312 HydrophobicContact CG1-CG 4.17Å; S120-F312 WeakPolarHBondContact CB-O 3.42Å; S120-F312 PolarHBondContact N-O 2.91Å; F123-F312 HydrophobicContact CD1-CD1 4.2Å; F123-F312 HydrophobicContact CD1-CE1 4.49Å; F123-F312 HydrophobicContact CD2-CD1 4.14Å; F123-F312 AromaticContact CE1-CD1 3.86Å; F123-F312 HydrophobicContact CE1-CD1 3.86Å; F123-F312 AromaticContact CE1-CE1 3.72Å; F123-F312 HydrophobicContact CE1-CE1 3.72Å; F123-F312 AromaticContact CE2-CD1 3.74Å; F123-F312 HydrophobicContact CE2-CD1 3.74Å; F123-F312 AromaticContact CE2-CE1 3.92Å; F123-F312 HydrophobicContact CE2-CE1 3.92Å; F123-F312 HydrophobicContact CE2-CG 4.47Å; F123-F312 HydrophobicContact CG-CD1 4.33Å; F123-F312 AromaticContact CZ-CD1 3.59Å; F123-F312 HydrophobicContact CZ-CD1 3.59Å; F123-F312 AromaticContact CZ-CE1 3.35Å; F123-F312 HydrophobicContact CZ-CE1 3.35Å; F123-F312 HydrophobicContact CZ-CZ 4.24Å; Y307-F312 HydrophobicContact CD2-CZ 4.36Å; Y307-F312 HydrophobicContact CG-CZ 4.08Å; E309-F312 WeakPolarHBondContact O-CD2 3.39Å; E309-F312 PolarHBondContact O-N 3.19Å; E309-F312 WeakPolarHBondContact OE2-CD2 3.46Å; E309-F312 WeakPolarHBondContact OE2-CE2 3.03Å; S310-F312 PolarHBondContact O-N 3.2Å |
| 313 | L | 96.7 | Very high | 90 | Very high | 125 Ų | 125 | 69.4 Ų | 69.4 | 65% | 0.654 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -101.3 | -43.3 | -179.8 | -61.1 | 178.1 | 0 | 0 | 0 | 111.6 | S120 S310 D311 P315 | S120-L313 WeakPolarHBondContact CB-O 3.27Å; S310-L313 PolarHBondContact O-N 2.92Å; D311-L313 PolarHBondContact O-N 3.05Å; L313-P315 VanDerWaalsContact C-CD 3.44Å; L313-P315 WeakPolarHBondContact O-CD 3.48Å |
| 314 | N | 96.7 | Very high | 87.5 | Confident | 126 Ų | 126 | 68.2 Ų | 68.2 | 67% | 0.674 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -126.9 | 64.1 | -173.4 | -58.3 | -65.3 | 0 | 0 | 0 | 110.8 | S310 N316 | S310-N314 PolarHBondContact O-N 3.04Å; N314-N316 PolarHBondContact O-N 3.33Å |
| 315 | P | 95.9 | Very high | 84.6 | Confident | 12 Ų | 12 | 72 Ų | 72 | 8% | 0.078 | 37% | 0.367 | C | S | . | . | trans | -61.3 | 131.3 | -176.8 | 24.2 | -32.8 | 0 | 0 | 0 | 111.5 | S120 G122 F123 H128 D311 L313 P317 F318 | S120-P315 WeakPolarHBondContact OG-CD 3.26Å; S120-P315 WeakPolarHBondContact OG-CG 3.38Å; G122-P315 VanDerWaalsContact C-CG 3.47Å; F123-P315 HydrophobicContact CB-CB 4.34Å; F123-P315 HydrophobicContact CB-CG 4.39Å; H128-P315 VanDerWaalsContact CE1-CB 3.4Å; H128-P315 WeakPolarHBondContact CE1-CB 3.31Å; H128-P315 VanDerWaalsContact NE2-CB 3.35Å; H128-P315 WeakPolarHBondContact NE2-CB 3.29Å; D311-P315 WeakPolarHBondContact O-CA 3.37Å; D311-P315 WeakPolarHBondContact O-CB 3.38Å; D311-P315 VanDerWaalsContact O-CD 3.26Å; D311-P315 WeakPolarHBondContact O-CD 3.43Å; L313-P315 VanDerWaalsContact C-CD 3.44Å; L313-P315 WeakPolarHBondContact O-CD 3.48Å; P315-P317 CarbonylContact O-C 3.59Å; P315-F318 HydrophobicContact CG-CD2 4.11Å | ||
| 316 | N | 92.9 | Very high | 81.3 | Confident | 128 Ų | 128 | 78.4 Ų | 78.4 | 68% | 0.684 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -130.2 | 115.5 | 171.8 | -173.2 | 11.2 | 0 | 0 | 0 | 111.1 | H128 N314 | H128-N316 PolarHBondContact NE2-N 3.34Å; N314-N316 PolarHBondContact O-N 3.33Å |
| 317 | P | 94.2 | Very high | 78.3 | Confident | 62 Ų | 62 | 77.3 Ų | 77.3 | 40% | 0.403 | 40% | 0.403 | S | S | . | . | S | Bend | cis | -75.7 | 156.9 | 2 | 34 | -37.8 | 0 | 0 | 0 | 112.7 | H128 P315 Y319 | H128-P317 PolarHBondContact CE1-O 2.99Å; H128-P317 VanDerWaalsContact CE1-O 3.25Å; H128-P317 PolarHBondContact NE2-O 2.94Å; P315-P317 CarbonylContact O-C 3.59Å; P317-Y319 HydrophobicContact CG-CD1 4.41Å; P317-Y319 HydrophobicContact CG-CE1 3.68Å; P317-Y319 HydrophobicContact CG-CE2 3.75Å; P317-Y319 VanDerWaalsContact CG-OH 3.27Å; P317-Y319 WeakPolarHBondContact CG-OH 3.42Å; P317-Y319 PolarHBondContact O-N 3.12Å |
| 318 | F | 94.1 | Very high | 75.1 | Confident | 121 Ų | 121 | 79.7 Ų | 79.7 | 53% | 0.531 | 42% | 0.422 | S | S | . | . | trans | -75 | 110.7 | 174.8 | -170.1 | -81.3 | 0 | 0 | 0 | 110.4 | L121 G122 P315 S320 | L121-F318 HydrophobicContact CB-CZ 4.34Å; G122-F318 VanDerWaalsContact CA-CE2 3.45Å; G122-F318 VanDerWaalsContact CA-CZ 3.48Å; G122-F318 VanDerWaalsContact N-CZ 3.31Å; P315-F318 HydrophobicContact CG-CD2 4.11Å; F318-S320 PolarHBondContact O-N 2.79Å | ||
| 319 | Y | 91.1 | Very high | 71.8 | Confident | 59 Ų | 59 | 83.1 Ų | 83.1 | 23% | 0.231 | 44% | 0.44 | C | S | . | . | trans | -94.7 | 98.5 | 178.6 | -64.9 | -63.1 | 0 | 0 | 0 | 111.9 | G122 D124 R127 H128 P317 | G122-Y319 WeakPolarHBondContact CA-O 3.33Å; G122-Y319 WeakPolarHBondContact O-CB 3.36Å; G122-Y319 PolarHBondContact O-N 2.91Å; D124-Y319 HydrophobicContact CB-CD2 3.78Å; D124-Y319 HydrophobicContact CB-CG 4.33Å; R127-Y319 HydrophobicContact CB-CD2 3.95Å; R127-Y319 HydrophobicContact CB-CE2 3.34Å; R127-Y319 HydrophobicContact CG-CE2 4.23Å; H128-Y319 AromaticContact CE1-CD2 3.29Å; H128-Y319 WeakPolarHBondContact CE1-CD2 3.43Å; H128-Y319 AromaticContact CE1-CE2 3.55Å; H128-Y319 AromaticContact ND1-CD2 3.64Å; H128-Y319 AromaticContact ND1-CE2 3.83Å; P317-Y319 HydrophobicContact CG-CD1 4.41Å; P317-Y319 HydrophobicContact CG-CE1 3.68Å; P317-Y319 HydrophobicContact CG-CE2 3.75Å; P317-Y319 VanDerWaalsContact CG-OH 3.27Å; P317-Y319 WeakPolarHBondContact CG-OH 3.42Å; P317-Y319 PolarHBondContact O-N 3.12Å | ||
| 320 | S | 80.1 | Confident | 68.6 | Low | 41 Ų | 41 | 81 Ų | 81 | 29% | 0.287 | 44% | 0.443 | S | S | . | . | trans | -77.2 | 150.8 | 175.2 | 82.2 | 0 | 0 | 0 | 0 | 112 | F318 H322 A323 | F318-S320 PolarHBondContact O-N 2.79Å; S320-H322 PolarHBondContact O-N 2.89Å; S320-A323 PolarHBondContact O-N 2.89Å; S320-A323 PolarHBondContact OG-N 3.15Å | ||
| 321 | I | 66.6 | Low | 65.4 | Low | 38 Ų | 38 | 83 Ų | 83 | 20% | 0.195 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -61.8 | -34.5 | 175.7 | -54.6 | 169.5 | 0 | 0 | 0 | 111.2 | M1 D84 E324 | M1-I321 HydrophobicContact CE-CD1 4.48Å; M1-I321 HydrophobicContact SD-CD1 3.65Å; D84-I321 HydrophobicContact CB-CD1 4.29Å; D84-I321 WeakPolarHBondContact OD2-CD1 3.25Å; D84-I321 WeakPolarHBondContact OD2-CG1 3.34Å; I321-E324 PolarHBondContact O-N 3.34Å |
| 322 | H | 56.1 | Low | 62 | Low | 140 Ų | 140 | 89.8 Ų | 89.8 | 65% | 0.648 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -71.3 | -30.5 | -174 | -65.9 | -68.9 | 0 | 0 | 0 | 112.8 | S320 E324 R325 | S320-H322 PolarHBondContact O-N 2.89Å; H322-E324 PolarHBondContact O-N 3.48Å; H322-R325 PolarHBondContact O-N 2.94Å |
| 323 | A | 47.6 | Very low | 58.6 | Low | 58 Ų | 58 | 94.7 Ų | 94.7 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.4 | -20.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S320 | S320-A323 PolarHBondContact O-N 2.89Å; S320-A323 PolarHBondContact OG-N 3.15Å |
| 324 | E | 45.8 | Very low | 55.6 | Low | 54 Ų | 54 | 94.5 Ų | 94.5 | 25% | 0.252 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -82.2 | -26.4 | -179.4 | -68 | -175.3 | 156.8 | 0 | 0 | 113.6 | R65 R127 I321 H322 D326 T327 S328 | R65-E324 IonicContact CZ-OE2 3.69Å; R65-E324 IonicContact NE-OE2 3.67Å; R65-E324 PolarHBondContact NE-OE2 3.35Å; R65-E324 IonicContact NH2-OE2 3.2Å; R127-E324 IonicContact CZ-OE1 2.99Å; R127-E324 IonicContact NH1-OE1 3.4Å; R127-E324 IonicContact NH2-OE1 3.12Å; R127-E324 PolarHBondContact NH2-OE1 3.22Å; I321-E324 PolarHBondContact O-N 3.34Å; H322-E324 PolarHBondContact O-N 3.48Å; E324-D326 PolarHBondContact O-N 3.07Å; E324-T327 PolarHBondContact O-N 2.82Å; E324-T327 PolarHBondContact O-OG1 3.49Å; E324-T327 VanDerWaalsContact O-OG1 3.07Å; E324-S328 PolarHBondContact O-N 2.85Å; E324-S328 PolarHBondContact O-OG 3.38Å |
| 325 | R | 37.6 | Very low | 52.2 | Low | 150 Ų | 150 | 99.7 Ų | 99.7 | 57% | 0.566 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.1 | -26.7 | -179.3 | -71.6 | -173.3 | -178.2 | -169 | -2.3 | 112.9 | H322 T327 | H322-R325 PolarHBondContact O-N 2.94Å; R325-T327 VanDerWaalsContact C-N 3.27Å; R325-T327 PolarHBondContact O-N 2.74Å |
| 326 | D | 30.6 | Very low | 49.1 | Very low | 141 Ų | 141 | 103.7 Ų | 103.7 | 75% | 0.754 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -75.8 | -15.5 | 175.4 | -67.6 | -22.2 | 0 | 0 | 0 | 112.8 | E324 | E324-D326 PolarHBondContact O-N 3.07Å |
| 327 | T | 33.5 | Very low | 46 | Very low | 81 Ų | 81 | 104 Ų | 104 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -110.6 | -26.9 | -179.6 | 55 | 0 | 0 | 0 | 0 | 113.6 | E324 R325 N329 A330 I331 | E324-T327 PolarHBondContact O-N 2.82Å; E324-T327 PolarHBondContact O-OG1 3.49Å; E324-T327 VanDerWaalsContact O-OG1 3.07Å; R325-T327 VanDerWaalsContact C-N 3.27Å; R325-T327 PolarHBondContact O-N 2.74Å; T327-N329 VanDerWaalsContact C-N 3.33Å; T327-N329 PolarHBondContact O-N 3.4Å; T327-A330 WeakPolarHBondContact O-CB 3.17Å; T327-A330 PolarHBondContact O-N 2.63Å; T327-A330 VanDerWaalsContact O-N 3.07Å; T327-I331 PolarHBondContact O-N 3.25Å |
| 328 | S | 32 | Very low | 42.9 | Very low | 67 Ų | 67 | 106.5 Ų | 106.5 | 47% | 0.469 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.6 | -28.5 | 177.7 | 61.4 | 0 | 0 | 0 | 0 | 113.3 | E324 A330 I331 | E324-S328 PolarHBondContact O-N 2.85Å; E324-S328 PolarHBondContact O-OG 3.38Å; S328-A330 PolarHBondContact O-N 3.3Å; S328-I331 PolarHBondContact O-N 2.9Å |
| 329 | N | 27.3 | Very low | 39.6 | Very low | 145 Ų | 145 | 107.1 Ų | 107.1 | 78% | 0.775 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -18.4 | 170.7 | -80.6 | -14.2 | 0 | 0 | 0 | 113.1 | T327 | T327-N329 VanDerWaalsContact C-N 3.33Å; T327-N329 PolarHBondContact O-N 3.4Å |
| 330 | A | 29.8 | Very low | 36.7 | Very low | 76 Ų | 76 | 111.4 Ų | 111.4 | 63% | 0.628 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -14.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T327 S328 | T327-A330 WeakPolarHBondContact O-CB 3.17Å; T327-A330 PolarHBondContact O-N 2.63Å; T327-A330 VanDerWaalsContact O-N 3.07Å; S328-A330 PolarHBondContact O-N 3.3Å |
| 331 | I | 29.5 | Very low | 34.2 | Very low | 104 Ų | 104 | 117.2 Ų | 117.2 | 53% | 0.533 | 65% | 0.647 | S | S | . | * | trans | -124.6 | 32.9 | -174 | -40.9 | 178.1 | 0 | 0 | 0 | 111.7 | T327 S328 C333 | T327-I331 PolarHBondContact O-N 3.25Å; S328-I331 PolarHBondContact O-N 2.9Å; I331-C333 PolarHBondContact O-N 2.8Å | ||
| 332 | N | 25.9 | Very low | 32.6 | Very low | 148 Ų | 148 | 122.5 Ų | 122.5 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | trans | -82.3 | 46.5 | 164.3 | -116.8 | -11.1 | 0 | 0 | 0 | 111.2 | ||||
| 333 | C | 27 | Very low | 31.3 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 76% | 0.764 | 70% | 0.703 | S | S | * | * | trans | -112.9 | 38.1 | 169.7 | -72.1 | 0 | 0 | 0 | 0 | 110.5 | I331 | I331-C333 PolarHBondContact O-N 2.8Š| ||
| 334 | D | 32.4 | Very low | 30.5 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 65% | 0.647 | 71% | 0.714 | S | S | * | * | trans | -105.2 | 63.5 | 170.1 | -76.9 | -18.3 | 0 | 0 | 0 | 109.3 | ||||
| 335 | R | 25.3 | Very low | 29.7 | Very low | 234 Ų | 234 | 135.9 Ų | 135.9 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | trans | -115.4 | 81.7 | 151.8 | -79.4 | -174.2 | -178.4 | 153 | -0.3 | 106 | ||||
| 336 | A | 31.1 | Very low | 29.3 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 79% | 0.793 | 75% | 0.748 | S | S | * | * | trans | -101.1 | 100.3 | 159.4 | 0 | 0 | 0 | 0 | 0 | 104.8 | S338 | A336-S338 PolarHBondContact O-N 3.33Š| ||
| 337 | D | 27.9 | Very low | 29.2 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | -45 | 124.4 | -179 | -62.8 | -48.9 | 0 | 0 | 0 | 110.7 | D339 | D337-D339 PolarHBondContact O-N 3.04Š| ||
| 338 | S | 28.9 | Very low | 28.9 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -83.7 | 66.2 | 165.6 | 57.1 | 0 | 0 | 0 | 0 | 108.5 | A336 | A336-S338 PolarHBondContact O-N 3.33Š| ||
| 339 | D | 25.1 | Very low | 28.7 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -126.9 | 98.3 | 166.8 | -79.6 | -26 | 0 | 0 | 0 | 106.9 | D337 | D337-D339 PolarHBondContact O-N 3.04Š| ||
| 340 | D | 30.4 | Very low | 28.8 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -161.2 | 71.9 | 156.2 | -88.8 | -23.4 | 0 | 0 | 0 | 105.8 | D342 | D340-D342 VanDerWaalsContact C-N 3.33Å; D340-D342 PolarHBondContact O-N 2.54Å | ||
| 341 | N | 27 | Very low | 28.7 | Very low | 163 Ų | 163 | 147.9 Ų | 147.9 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -79.3 | 88.7 | 154.8 | -80.3 | -30.6 | 0 | 0 | 0 | 106.3 | E343 | N341-E343 PolarHBondContact O-N 3.48Š| ||
| 342 | D | 34.2 | Very low | 28.7 | Very low | 148 Ų | 148 | 151.6 Ų | 151.6 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | -81.8 | 104.8 | 162.5 | -78.9 | -26.4 | 0 | 0 | 0 | 107.7 | D340 | D340-D342 VanDerWaalsContact C-N 3.33Å; D340-D342 PolarHBondContact O-N 2.54Å | ||
| 343 | E | 28.8 | Very low | 28.9 | Very low | 263 Ų | 263 | 151.9 Ų | 151.9 | 100% | 1.229 | 82% | 0.82 | S | S | * | * | trans | -58.3 | 0 | 158.4 | -72.4 | -176.4 | 153.6 | 0 | 0 | 111.7 | N341 | N341-E343 PolarHBondContact O-N 3.48Š|
Retrieved 343 of 343 residues in 940.8 ms
(Link to these results)