| 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 | 85.7 | Confident | 96.6 | Very high | 138 Ų | 138 | 32.8 Ų | 32.8 | 68% | 0.68 | 17% | 0.165 | S | C | * | . | 0 | 131.6 | 0 | 175 | 174.2 | 55.1 | 0 | 0 | 107.4 | Q43 T50 L52 | M1-Q43 HydrophobicContact SD-CG 3.79Å; M1-T50 HydrophobicContact CG-CG2 4.4Å; M1-T50 HydrophobicContact SD-CG2 3.89Å; M1-L52 HydrophobicContact CE-CB 3.88Å; M1-L52 HydrophobicContact SD-CB 4.15Å | |||
| 2 | T | 95.6 | Very high | 96.4 | Very high | 57 Ų | 57 | 31.8 Ų | 31.8 | 35% | 0.35 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 133.8 | 178.9 | -47 | 0 | 0 | 0 | 0 | 109.6 | Y4 E49 C51 L52 | T2-Y4 HydrophobicContact CG2-CD2 4.43Å; T2-Y4 HydrophobicContact CG2-CE1 4.04Å; T2-Y4 HydrophobicContact CG2-CE2 3.78Å; T2-E49 PolarHBondContact OG1-OE1 2.91Å; T2-C51 CarbonylContact O-C 3.58Å; T2-C51 VanDerWaalsContact O-CA 3.27Å; T2-C51 WeakPolarHBondContact O-CA 3.09Å; T2-C51 VanDerWaalsContact O-CB 3.28Å; T2-C51 WeakPolarHBondContact O-CB 3.35Å; T2-L52 PolarHBondContact O-N 3.06Å |
| 3 | E | 98 | Very high | 96.3 | Very high | 70 Ų | 70 | 31.3 Ų | 31.3 | 33% | 0.327 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 139.8 | 170.7 | -173.5 | -178.4 | 134.9 | 0 | 0 | 109.2 | K5 R41 L52 D54 | E3-K5 IonicContact OE1-NZ 3.95Å; E3-K5 PolarHBondContact OE1-NZ 3.38Å; E3-R41 IonicContact OE1-NH2 2.82Å; E3-L52 CarbonylContact C-O 3.59Å; E3-L52 WeakPolarHBondContact CA-O 3.38Å; E3-L52 HydrophobicContact CB-CB 4.5Å; E3-L52 HydrophobicContact CG-CB 4.43Å; E3-L52 HydrophobicContact CG-CD2 4.22Å; E3-L52 HydrophobicContact CG-CG 4.5Å; E3-D54 HydrophobicContact CG-CB 4.09Å |
| 4 | Y | 98.5 | Very high | 96.4 | Very high | 9 Ų | 9 | 29.1 Ų | 29.1 | 4% | 0.035 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 120.1 | 174.8 | -64.1 | -78.9 | 0 | 0 | 0 | 110 | T2 L6 E49 C51 L52 D54 E76 V160 I163 R164 | T2-Y4 HydrophobicContact CG2-CD2 4.43Å; T2-Y4 HydrophobicContact CG2-CE1 4.04Å; T2-Y4 HydrophobicContact CG2-CE2 3.78Å; Y4-L6 PolarHBondContact O-N 3.32Å; Y4-E49 PolarHBondContact OH-OE1 3.29Å; Y4-C51 HydrophobicContact CD2-CB 3.76Å; Y4-C51 HydrophobicContact CE2-CB 3.55Å; Y4-L52 PolarHBondContact N-O 3.09Å; Y4-D54 PolarHBondContact O-N 3.44Å; Y4-E76 WeakPolarHBondContact CA-OE2 3.49Å; Y4-V160 HydrophobicContact CD1-CG1 4.46Å; Y4-V160 HydrophobicContact CD2-CG1 3.83Å; Y4-V160 HydrophobicContact CD2-CG2 4.33Å; Y4-V160 HydrophobicContact CE1-CG1 4.33Å; Y4-V160 HydrophobicContact CE2-CG1 3.7Å; Y4-V160 HydrophobicContact CG-CG1 4.23Å; Y4-V160 HydrophobicContact CG-CG2 4.38Å; Y4-I163 HydrophobicContact CD1-CB 4.22Å; Y4-I163 HydrophobicContact CD1-CD1 4.28Å; Y4-I163 HydrophobicContact CD1-CG2 3.75Å; Y4-I163 HydrophobicContact CE1-CB 4.45Å; Y4-I163 HydrophobicContact CE1-CG2 3.96Å; Y4-R164 HydrophobicContact CE1-CG 4.2Å; Y4-R164 WeakPolarHBondContact OH-CG 2.82Å; Y4-R164 PolarHBondContact OH-NE 3.17Å |
| 5 | K | 98.4 | Very high | 96.5 | Very high | 73 Ų | 73 | 28.3 Ų | 28.3 | 32% | 0.317 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 102.3 | 178.3 | -62.1 | -171.8 | 178.6 | -57.6 | 0 | 110.9 | E3 D54 E76 G77 | E3-K5 IonicContact OE1-NZ 3.95Å; E3-K5 PolarHBondContact OE1-NZ 3.38Å; K5-D54 CarbonylContact C-O 3.55Å; K5-D54 WeakPolarHBondContact CA-O 3.28Å; K5-D54 HydrophobicContact CG-CB 4.36Å; K5-D54 IonicContact NZ-OD2 4Å; K5-D54 PolarHBondContact NZ-OD2 2.69Å; K5-E76 HydrophobicContact CB-CB 4.49Å; K5-E76 HydrophobicContact CB-CG 4.18Å; K5-E76 PolarHBondContact N-OE2 2.84Å; K5-E76 PolarHBondContact O-N 3.13Å; K5-G77 PolarHBondContact O-N 3.12Å |
| 6 | L | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 137 | -177.8 | -47 | -173.2 | 0 | 0 | 0 | 109.3 | Y4 L53 D54 I55 L56 G77 F156 L159 V160 I163 | Y4-L6 PolarHBondContact O-N 3.32Å; L6-L53 HydrophobicContact CD1-CB 4.4Å; L6-L53 HydrophobicContact CD1-CD1 4.44Å; L6-L53 HydrophobicContact CD1-CD2 4.24Å; L6-D54 PolarHBondContact N-O 3.01Å; L6-I55 HydrophobicContact CB-CG1 4.39Å; L6-I55 HydrophobicContact CD1-CG1 4.39Å; L6-I55 CarbonylContact O-C 3.55Å; L6-I55 WeakPolarHBondContact O-CA 3.44Å; L6-L56 PolarHBondContact O-N 3.46Å; L6-G77 WeakPolarHBondContact CA-O 3.43Å; L6-F156 HydrophobicContact CD1-CD1 3.92Å; L6-L159 HydrophobicContact CB-CD2 4.16Å; L6-L159 HydrophobicContact CD1-CD2 4.39Å; L6-L159 HydrophobicContact CD2-CD2 3.85Å; L6-L159 HydrophobicContact CD2-CG 4.12Å; L6-L159 HydrophobicContact CG-CD2 4.35Å; L6-V160 HydrophobicContact CD1-CG2 4.29Å; L6-V160 HydrophobicContact CD2-CG2 4.43Å; L6-I163 HydrophobicContact CD2-CD1 3.39Å |
| 7 | V | 98.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 130.8 | 175.9 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | V9 L56 T58 Y71 G77 F78 L79 | V7-V9 HydrophobicContact CG1-CG1 3.84Å; V7-L56 HydrophobicContact CG2-CB 4.29Å; V7-L56 HydrophobicContact CG2-CD2 4.48Å; V7-T58 HydrophobicContact CG1-CG2 3.72Å; V7-Y71 HydrophobicContact CG1-CD2 3.75Å; V7-Y71 HydrophobicContact CG1-CE2 4.26Å; V7-Y71 HydrophobicContact CG1-CG 4.41Å; V7-G77 PolarHBondContact N-O 2.88Å; V7-F78 HydrophobicContact CB-CD1 3.7Å; V7-F78 HydrophobicContact CB-CE1 3.77Å; V7-F78 HydrophobicContact CG1-CD1 4.25Å; V7-F78 HydrophobicContact CG1-CE1 4.28Å; V7-F78 HydrophobicContact CG2-CD1 4.35Å; V7-F78 HydrophobicContact CG2-CE1 3.92Å; V7-F78 CarbonylContact O-C 3.31Å; V7-F78 VanDerWaalsContact O-CA 3.3Å; V7-F78 WeakPolarHBondContact O-CA 3.47Å; V7-L79 PolarHBondContact O-N 3.36Å |
| 8 | V | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 113.6 | 177.7 | -167.3 | 0 | 0 | 0 | 0 | 108.6 | K16 I55 L56 T58 L79 V81 F156 | V8-K16 HydrophobicContact CB-CB 4.42Å; V8-K16 HydrophobicContact CG1-CB 3.65Å; V8-K16 HydrophobicContact CG1-CD 4.13Å; V8-K16 HydrophobicContact CG1-CG 3.86Å; V8-I55 HydrophobicContact CG2-CG2 3.89Å; V8-L56 PolarHBondContact N-O 2.94Å; V8-T58 PolarHBondContact O-OG1 3.33Å; V8-T58 VanDerWaalsContact O-OG1 3.09Å; V8-L79 HydrophobicContact CG1-CB 4.28Å; V8-L79 HydrophobicContact CG2-CD1 4.49Å; V8-V81 HydrophobicContact CG1-CG2 3.59Å; V8-F156 HydrophobicContact CG2-CE1 3.99Å; V8-F156 HydrophobicContact CG2-CZ 4.22Å |
| 9 | V | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 158.1 | -178.4 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | V7 Y71 M72 F78 L79 V81 Y96 I100 | V7-V9 HydrophobicContact CG1-CG1 3.84Å; V9-Y71 HydrophobicContact CG1-CE2 3.78Å; V9-M72 HydrophobicContact CG1-CE 4.49Å; V9-F78 HydrophobicContact CG1-CD1 4.4Å; V9-L79 WeakPolarHBondContact CG2-O 3.47Å; V9-L79 PolarHBondContact N-O 3.3Å; V9-V81 PolarHBondContact O-N 2.94Å; V9-Y96 HydrophobicContact CB-CD1 3.9Å; V9-Y96 HydrophobicContact CB-CE1 4.31Å; V9-Y96 HydrophobicContact CG2-CD1 4.18Å; V9-Y96 HydrophobicContact CG2-CG 4.36Å; V9-I100 HydrophobicContact CG2-CD1 4.06Å |
| 10 | G | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | 145.8 | 164.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K16 G60 V81 Y96 | G10-K16 PolarHBondContact O-NZ 3.21Å; G10-G60 VanDerWaalsContact O-CA 3.23Å; G10-G60 WeakPolarHBondContact O-CA 3.48Å; G10-V81 WeakPolarHBondContact CA-O 3.34Å; G10-Y96 VanDerWaalsContact C-CZ 3.47Å; G10-Y96 VanDerWaalsContact C-OH 3.29Å; G10-Y96 PolarHBondContact O-OH 3.35Å | ||
| 11 | A | 96.3 | Very high | 96.7 | Very high | 11 Ų | 11 | 24.1 Ų | 24.1 | 9% | 0.091 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -57.4 | 166.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V14 K16 | A11-V14 HydrophobicContact CB-CG1 3.92Å; A11-V14 VanDerWaalsContact O-CG2 3.28Å; A11-V14 WeakPolarHBondContact O-CG2 3.33Å; A11-K16 PolarHBondContact O-NZ 3.27Å; A11-K16 VanDerWaalsContact O-NZ 3.11Å |
| 12 | G | 95.1 | Very high | 97.3 | Very high | 20 Ų | 20 | 18.2 Ų | 18.2 | 21% | 0.206 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 144 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V14 G60 | G12-V14 PolarHBondContact O-N 3.31Å; G12-V14 VanDerWaalsContact O-N 3.07Å; G12-G60 PolarHBondContact N-O 3.24Å; G12-G60 VanDerWaalsContact N-O 3.13Å |
| 13 | G | 94.9 | Very high | 97.4 | Very high | 26 Ų | 26 | 15.5 Ų | 15.5 | 27% | 0.268 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 3.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | G15 Y32 K117 | G13-G15 PolarHBondContact O-N 3.17Å; G13-Y32 PolarHBondContact N-OH 2.97Å; G13-Y32 VanDerWaalsContact N-OH 3.16Å; G13-K117 VanDerWaalsContact O-CE 3.28Å; G13-K117 WeakPolarHBondContact O-CE 3.31Å; G13-K117 PolarHBondContact O-NZ 3.22Å |
| 14 | V | 97.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -72.4 | -15.2 | 179.1 | -57.4 | 0 | 0 | 0 | 0 | 113.6 | A11 G12 K16 V81 A83 N116 | A11-V14 HydrophobicContact CB-CG1 3.92Å; A11-V14 VanDerWaalsContact O-CG2 3.28Å; A11-V14 WeakPolarHBondContact O-CG2 3.33Å; G12-V14 PolarHBondContact O-N 3.31Å; G12-V14 VanDerWaalsContact O-N 3.07Å; V14-K16 HydrophobicContact CG2-CD 4.34Å; V14-K16 HydrophobicContact CG2-CG 3.62Å; V14-V81 HydrophobicContact CB-CG1 4.34Å; V14-V81 HydrophobicContact CG2-CB 4.02Å; V14-V81 HydrophobicContact CG2-CG1 3.84Å; V14-A83 HydrophobicContact CB-CB 4.27Å; V14-A83 HydrophobicContact CG1-CB 4.37Å; V14-N116 PolarHBondContact O-ND2 3.44Å |
| 15 | G | 97.3 | Very high | 97.1 | Very high | 16 Ų | 16 | 19 Ų | 19 | 17% | 0.165 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 97.3 | 32.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G13 A18 L19 | G13-G15 PolarHBondContact O-N 3.17Å; G15-A18 PolarHBondContact O-N 3.36Å; G15-L19 WeakPolarHBondContact O-CG 3.38Å; G15-L19 PolarHBondContact O-N 3.27Å |
| 16 | K | 97.7 | Very high | 96.9 | Very high | 10 Ų | 10 | 20.8 Ų | 20.8 | 4% | 0.043 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.4 | -54.7 | 175.6 | -57.8 | -170.7 | -61.1 | -73.4 | 0 | 111.9 | V8 G10 A11 V14 A18 L19 T20 D57 T58 G60 V81 | V8-K16 HydrophobicContact CB-CB 4.42Å; V8-K16 HydrophobicContact CG1-CB 3.65Å; V8-K16 HydrophobicContact CG1-CD 4.13Å; V8-K16 HydrophobicContact CG1-CG 3.86Å; G10-K16 PolarHBondContact O-NZ 3.21Å; A11-K16 PolarHBondContact O-NZ 3.27Å; A11-K16 VanDerWaalsContact O-NZ 3.11Å; V14-K16 HydrophobicContact CG2-CD 4.34Å; V14-K16 HydrophobicContact CG2-CG 3.62Å; K16-A18 VanDerWaalsContact C-N 3.34Å; K16-A18 PolarHBondContact O-N 3.1Å; K16-L19 WeakPolarHBondContact O-CB 3.37Å; K16-L19 PolarHBondContact O-N 3.44Å; K16-T20 PolarHBondContact O-N 3.5Å; K16-T20 PolarHBondContact O-OG1 3.42Å; K16-D57 VanDerWaalsContact CB-OD1 3.24Å; K16-D57 WeakPolarHBondContact CB-OD1 3.49Å; K16-T58 WeakPolarHBondContact CE-O 3.45Å; K16-T58 PolarHBondContact NZ-O 3.02Å; K16-G60 VanDerWaalsContact NZ-CA 3.26Å; K16-V81 HydrophobicContact CG-CB 4.28Å; K16-V81 HydrophobicContact CG-CG2 4.41Å |
| 17 | S | 97 | Very high | 96.6 | Very high | 28 Ų | 28 | 25.6 Ų | 25.6 | 20% | 0.196 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.3 | -42.3 | 176.9 | -35.1 | 0 | 0 | 0 | 0 | 111.8 | L19 T20 I21 T35 D57 | S17-L19 VanDerWaalsContact C-N 3.34Å; S17-L19 PolarHBondContact O-N 3.36Å; S17-T20 PolarHBondContact O-N 3.3Å; S17-I21 WeakPolarHBondContact O-CB 3.44Å; S17-I21 VanDerWaalsContact O-CG1 3.26Å; S17-I21 WeakPolarHBondContact O-CG1 3.42Å; S17-I21 PolarHBondContact O-N 3.42Å; S17-T35 PolarHBondContact OG-OG1 3.08Å; S17-D57 WeakPolarHBondContact CA-OD2 3.49Å; S17-D57 WeakPolarHBondContact CB-OD2 3.49Å; S17-D57 PolarHBondContact N-OD1 2.96Å; S17-D57 PolarHBondContact N-OD2 3.09Å; S17-D57 PolarHBondContact OG-OD2 3.45Å |
| 18 | A | 97.3 | Very high | 96.3 | Very high | 18 Ų | 18 | 28.3 Ų | 28.3 | 15% | 0.149 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G15 K16 Q22 F28 A146 | G15-A18 PolarHBondContact O-N 3.36Å; K16-A18 VanDerWaalsContact C-N 3.34Å; K16-A18 PolarHBondContact O-N 3.1Å; A18-Q22 WeakPolarHBondContact O-CB 3.48Å; A18-Q22 PolarHBondContact O-N 3.02Å; A18-F28 HydrophobicContact CB-CE2 4.27Å; A18-A146 HydrophobicContact CB-CB 3.64Å |
| 19 | L | 98.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.6 | -45.4 | 173.9 | -71.8 | 170.9 | 0 | 0 | 0 | 111.6 | G15 K16 S17 Q22 L23 V81 V114 N116 A146 V152 F156 | G15-L19 WeakPolarHBondContact O-CG 3.38Å; G15-L19 PolarHBondContact O-N 3.27Å; K16-L19 WeakPolarHBondContact O-CB 3.37Å; K16-L19 PolarHBondContact O-N 3.44Å; S17-L19 VanDerWaalsContact C-N 3.34Å; S17-L19 PolarHBondContact O-N 3.36Å; L19-Q22 PolarHBondContact O-N 3.29Å; L19-L23 PolarHBondContact O-N 3.13Å; L19-V81 HydrophobicContact CD1-CG1 3.88Å; L19-V81 HydrophobicContact CD1-CG2 4.2Å; L19-V114 HydrophobicContact CD1-CG1 4.02Å; L19-N116 HydrophobicContact CD1-CB 4.28Å; L19-A146 HydrophobicContact CD2-CB 3.95Å; L19-A146 HydrophobicContact CG-CB 4.23Å; L19-V152 HydrophobicContact CD2-CG2 3.78Å; L19-F156 HydrophobicContact CB-CE2 4.39Å |
| 20 | T | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.3 | -51.8 | 179.6 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | K16 S17 Q22 L23 I24 Y40 I55 | K16-T20 PolarHBondContact O-N 3.5Å; K16-T20 PolarHBondContact O-OG1 3.42Å; S17-T20 PolarHBondContact O-N 3.3Å; T20-Q22 VanDerWaalsContact C-N 3.33Å; T20-Q22 PolarHBondContact O-N 3.34Å; T20-L23 WeakPolarHBondContact O-CB 3.39Å; T20-L23 PolarHBondContact O-N 3.17Å; T20-L23 VanDerWaalsContact O-N 3.15Å; T20-I24 HydrophobicContact CG2-CG1 4.24Å; T20-I24 WeakPolarHBondContact O-CG1 3.4Å; T20-I24 PolarHBondContact O-N 3.01Å; T20-Y40 HydrophobicContact CG2-CD2 3.36Å; T20-Y40 HydrophobicContact CG2-CE2 3.8Å; T20-Y40 HydrophobicContact CG2-CG 3.81Å; T20-I55 HydrophobicContact CG2-CB 4.46Å; T20-I55 HydrophobicContact CG2-CG2 3.84Å |
| 21 | I | 96.3 | Very high | 94.5 | Very high | 25 Ų | 25 | 45.7 Ų | 45.7 | 13% | 0.128 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61 | -42 | 178.1 | -66.3 | 166.6 | 0 | 0 | 0 | 110.8 | S17 L23 I24 Q25 V29 | S17-I21 WeakPolarHBondContact O-CB 3.44Å; S17-I21 VanDerWaalsContact O-CG1 3.26Å; S17-I21 WeakPolarHBondContact O-CG1 3.42Å; S17-I21 PolarHBondContact O-N 3.42Å; I21-L23 VanDerWaalsContact C-N 3.33Å; I21-L23 PolarHBondContact O-N 3.04Å; I21-I24 PolarHBondContact O-N 3.02Å; I21-Q25 HydrophobicContact CG2-CB 4.38Å; I21-Q25 HydrophobicContact CG2-CG 4.5Å; I21-Q25 WeakPolarHBondContact O-CB 3.4Å; I21-Q25 PolarHBondContact O-N 3.41Å; I21-V29 HydrophobicContact CD1-CG2 4.36Å; I21-V29 HydrophobicContact CG2-CG2 4.24Å |
| 22 | Q | 97.6 | Very high | 93.7 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 176 | -178.2 | 63.5 | -92.2 | 0 | 0 | 111.1 | A18 L19 T20 N26 H27 A146 R149 V152 | A18-Q22 WeakPolarHBondContact O-CB 3.48Å; A18-Q22 PolarHBondContact O-N 3.02Å; L19-Q22 PolarHBondContact O-N 3.29Å; T20-Q22 VanDerWaalsContact C-N 3.33Å; T20-Q22 PolarHBondContact O-N 3.34Å; Q22-N26 VanDerWaalsContact O-CA 3.31Å; Q22-N26 WeakPolarHBondContact O-CA 3.45Å; Q22-N26 PolarHBondContact O-N 3.02Å; Q22-N26 VanDerWaalsContact O-N 3.08Å; Q22-N26 VanDerWaalsContact OE1-CA 3.29Å; Q22-H27 VanDerWaalsContact CA-O 3.28Å; Q22-H27 WeakPolarHBondContact CA-O 3.42Å; Q22-H27 PolarHBondContact N-O 3.31Å; Q22-A146 WeakPolarHBondContact CG-O 3.47Å; Q22-A146 PolarHBondContact NE2-O 3Å; Q22-R149 HydrophobicContact CG-CB 4.24Å; Q22-R149 HydrophobicContact CG-CG 3.95Å; Q22-R149 PolarHBondContact O-NH1 3.09Å; Q22-V152 HydrophobicContact CB-CG1 4.34Å; Q22-V152 HydrophobicContact CG-CG1 4.21Å; Q22-V152 HydrophobicContact CG-CG2 4.06Å |
| 23 | L | 97.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.5 | -50.3 | 173.5 | 177.1 | 69.7 | 0 | 0 | 0 | 111.2 | L19 T20 I21 K42 L53 I55 V152 D153 F156 | L19-L23 PolarHBondContact O-N 3.13Å; T20-L23 WeakPolarHBondContact O-CB 3.39Å; T20-L23 PolarHBondContact O-N 3.17Å; T20-L23 VanDerWaalsContact O-N 3.15Å; I21-L23 VanDerWaalsContact C-N 3.33Å; I21-L23 PolarHBondContact O-N 3.04Å; L23-K42 HydrophobicContact CG-CD 4.25Å; L23-K42 PolarHBondContact O-NZ 3.26Å; L23-L53 HydrophobicContact CD2-CD1 4.14Å; L23-I55 HydrophobicContact CD2-CD1 3.55Å; L23-V152 HydrophobicContact CB-CG1 3.98Å; L23-D153 WeakPolarHBondContact CD1-OD1 3.33Å; L23-F156 HydrophobicContact CB-CD2 4.31Å; L23-F156 HydrophobicContact CB-CE2 4.13Å; L23-F156 HydrophobicContact CD2-CB 4.03Å; L23-F156 HydrophobicContact CD2-CD1 3.9Å; L23-F156 HydrophobicContact CD2-CD2 3.6Å; L23-F156 HydrophobicContact CD2-CE1 4.22Å; L23-F156 HydrophobicContact CD2-CE2 3.94Å; L23-F156 HydrophobicContact CD2-CG 3.58Å; L23-F156 HydrophobicContact CD2-CZ 4.24Å; L23-F156 HydrophobicContact CG-CD2 4.35Å |
| 24 | I | 96.2 | Very high | 92.9 | Very high | 39 Ų | 39 | 58.8 Ų | 58.8 | 20% | 0.2 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.3 | -47.1 | -170.4 | -60.5 | -65.4 | 0 | 0 | 0 | 112.2 | T20 I21 Y40 K42 I55 | T20-I24 HydrophobicContact CG2-CG1 4.24Å; T20-I24 WeakPolarHBondContact O-CG1 3.4Å; T20-I24 PolarHBondContact O-N 3.01Å; I21-I24 PolarHBondContact O-N 3.02Å; I24-Y40 HydrophobicContact CG1-CD1 4.24Å; I24-Y40 HydrophobicContact CG1-CG 4.21Å; I24-Y40 HydrophobicContact CG2-CD1 4.48Å; I24-K42 HydrophobicContact CD1-CB 3.52Å; I24-K42 HydrophobicContact CD1-CD 4.21Å; I24-K42 HydrophobicContact CD1-CG 4.38Å; I24-I55 HydrophobicContact CD1-CD1 4.15Å |
| 25 | Q | 94 | Very high | 92.3 | Very high | 115 Ų | 115 | 59.6 Ų | 59.6 | 54% | 0.537 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -112.2 | -5.2 | -165.6 | -59.7 | -177.3 | -9.6 | 0 | 0 | 113.9 | I21 H27 | I21-Q25 HydrophobicContact CG2-CB 4.38Å; I21-Q25 HydrophobicContact CG2-CG 4.5Å; I21-Q25 WeakPolarHBondContact O-CB 3.4Å; I21-Q25 PolarHBondContact O-N 3.41Å; Q25-H27 HydrophobicContact CB-CB 4.08Å; Q25-H27 PolarHBondContact O-N 3.34Å |
| 26 | N | 94.5 | Very high | 91.7 | Very high | 109 Ų | 109 | 63.2 Ų | 63.2 | 58% | 0.583 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 53.9 | 37.7 | -170.3 | -53.7 | -26.3 | 0 | 0 | 0 | 112.4 | Q22 R149 | Q22-N26 VanDerWaalsContact O-CA 3.31Å; Q22-N26 WeakPolarHBondContact O-CA 3.45Å; Q22-N26 PolarHBondContact O-N 3.02Å; Q22-N26 VanDerWaalsContact O-N 3.08Å; Q22-N26 VanDerWaalsContact OE1-CA 3.29Å; N26-R149 PolarHBondContact OD1-NH1 3.41Å; N26-R149 PolarHBondContact OD1-NH2 2.99Å |
| 27 | H | 93.4 | Very high | 91.3 | Very high | 102 Ų | 102 | 67 Ų | 67 | 47% | 0.472 | 34% | 0.34 | S | S | . | . | trans | -130.4 | 142.9 | -175.6 | -173 | 57.5 | 0 | 0 | 0 | 110.5 | Q22 Q25 | Q22-H27 VanDerWaalsContact CA-O 3.28Å; Q22-H27 WeakPolarHBondContact CA-O 3.42Å; Q22-H27 PolarHBondContact N-O 3.31Å; Q25-H27 HydrophobicContact CB-CB 4.08Å; Q25-H27 PolarHBondContact O-N 3.34Å | ||
| 28 | F | 91.7 | Very high | 91.2 | Very high | 60 Ų | 60 | 69.1 Ų | 69.1 | 26% | 0.263 | 35% | 0.349 | S | S | . | . | trans | -112.7 | 120.5 | 174.1 | 176.3 | -105.4 | 0 | 0 | 0 | 109.1 | A18 D30 A146 K147 | A18-F28 HydrophobicContact CB-CE2 4.27Å; F28-D30 HydrophobicContact CE1-CB 3.96Å; F28-A146 HydrophobicContact CD2-CB 4.14Å; F28-A146 WeakPolarHBondContact CD2-O 3.37Å; F28-A146 HydrophobicContact CE2-CB 4.13Å; F28-K147 HydrophobicContact CD1-CB 4.38Å; F28-K147 HydrophobicContact CD1-CG 4.12Å; F28-K147 HydrophobicContact CD2-CB 4.18Å; F28-K147 HydrophobicContact CE1-CB 4.18Å; F28-K147 HydrophobicContact CE1-CD 4.38Å; F28-K147 HydrophobicContact CE1-CG 3.98Å; F28-K147 HydrophobicContact CE2-CB 3.95Å; F28-K147 HydrophobicContact CG-CB 4.38Å; F28-K147 HydrophobicContact CZ-CB 3.96Å; F28-K147 HydrophobicContact CZ-CG 4.24Å | ||
| 29 | V | 83.5 | Confident | 91 | Very high | 60 Ų | 60 | 72 Ų | 72 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | trans | -96.3 | 117.4 | 174.5 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | I21 E31 | I21-V29 HydrophobicContact CD1-CG2 4.36Å; I21-V29 HydrophobicContact CG2-CG2 4.24Å; V29-E31 HydrophobicContact CG1-CB 4.38Å | ||
| 30 | D | 83.9 | Confident | 91 | Very high | 136 Ų | 136 | 74.1 Ų | 74.1 | 73% | 0.727 | 38% | 0.376 | S | S | * | . | trans | -81.8 | -26.5 | -178 | -159.5 | 33 | 0 | 0 | 0 | 112.2 | F28 | F28-D30 HydrophobicContact CE1-CB 3.96Š| ||
| 31 | E | 86.9 | Confident | 91 | Very high | 169 Ų | 169 | 81 Ų | 81 | 79% | 0.79 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -71.7 | 136.6 | 178.3 | -66.1 | 175.4 | -171.3 | 0 | 0 | 111.3 | V29 | V29-E31 HydrophobicContact CG1-CB 4.38Š|
| 32 | Y | 80.7 | Confident | 91 | Very high | 134 Ų | 134 | 82.1 Ų | 82.1 | 53% | 0.525 | 41% | 0.406 | S | S | . | . | trans | -94.4 | 104.4 | 175.7 | -178.9 | -111.7 | 0 | 0 | 0 | 110.6 | G13 P34 Q61 | G13-Y32 PolarHBondContact N-OH 2.97Å; G13-Y32 VanDerWaalsContact N-OH 3.16Å; Y32-P34 HydrophobicContact CD1-CG 4.37Å; Y32-P34 HydrophobicContact CE1-CG 3.79Å; Y32-Q61 PolarHBondContact OH-NE2 3.37Å | ||
| 33 | D | 85.4 | Confident | 91 | Very high | 136 Ų | 136 | 87.5 Ų | 87.5 | 73% | 0.727 | 43% | 0.431 | S | S | * | . | trans | -105.7 | 117.5 | 165.9 | -167.8 | 5.2 | 0 | 0 | 0 | 109.5 | T35 | D33-T35 PolarHBondContact O-N 2.88Å; D33-T35 VanDerWaalsContact O-N 3.12Å | ||
| 34 | P | 87.6 | Confident | 91 | Very high | 62 Ų | 62 | 88.1 Ų | 88.1 | 40% | 0.403 | 44% | 0.435 | S | S | . | . | trans | -60.1 | 112.7 | 179.1 | -23.7 | 33.2 | 0 | 0 | 0 | 113.2 | Y32 | Y32-P34 HydrophobicContact CD1-CG 4.37Å; Y32-P34 HydrophobicContact CE1-CG 3.79Å | ||
| 35 | T | 84.7 | Confident | 91.1 | Very high | 18 Ų | 18 | 90.6 Ų | 90.6 | 11% | 0.11 | 45% | 0.451 | C | S | . | . | trans | -65.7 | 140.2 | 172.6 | -52.4 | 0 | 0 | 0 | 0 | 112.1 | S17 D33 D38 A59 | S17-T35 PolarHBondContact OG-OG1 3.08Å; D33-T35 PolarHBondContact O-N 2.88Å; D33-T35 VanDerWaalsContact O-N 3.12Å; T35-D38 HydrophobicContact CG2-CB 4.46Å; T35-A59 WeakPolarHBondContact O-CA 3.1Å; T35-A59 WeakPolarHBondContact O-CB 3.48Å | ||
| 36 | I | 85.2 | Confident | 91.3 | Very high | 91 Ų | 91 | 85.1 Ų | 85.1 | 47% | 0.467 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -94 | -64 | 166.1 | -61.3 | 176.8 | 0 | 0 | 0 | 108.6 | A59 Y64 M67 | I36-A59 WeakPolarHBondContact O-CB 3.39Å; I36-A59 PolarHBondContact O-N 3.34Å; I36-Y64 HydrophobicContact CG1-CE1 4.39Å; I36-Y64 HydrophobicContact CG1-CE2 4.33Å; I36-Y64 HydrophobicContact CG2-CD1 4.5Å; I36-Y64 HydrophobicContact CG2-CE1 4.2Å; I36-M67 HydrophobicContact CG2-CE 4.12Å |
| 37 | E | 88.6 | Confident | 91.4 | Very high | 90 Ų | 90 | 85 Ų | 85 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 128.4 | 174.6 | -176.1 | 179.7 | 126.7 | 0 | 0 | 108.5 | L56 D57 | E37-L56 HydrophobicContact CG-CD1 3.52Å; E37-L56 HydrophobicContact CG-CG 4.46Å; E37-D57 WeakPolarHBondContact CA-O 3.39Å |
| 38 | D | 93.7 | Very high | 91.6 | Very high | 72 Ų | 72 | 83.5 Ų | 83.5 | 39% | 0.385 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 138.7 | 174.6 | -78.3 | -60.9 | 0 | 0 | 0 | 110.9 | T35 Y40 D57 | T35-D38 HydrophobicContact CG2-CB 4.46Å; D38-Y40 HydrophobicContact CB-CD2 4.34Å; D38-Y40 HydrophobicContact CB-CE2 3.5Å; D38-Y40 VanDerWaalsContact CB-CE2 3.5Å; D38-D57 HydrophobicContact CB-CB 4.44Å; D38-D57 PolarHBondContact N-O 3.35Å; D38-D57 PolarHBondContact O-N 3.36Å |
| 39 | S | 94.8 | Very high | 91.9 | Very high | 79 Ų | 79 | 84.1 Ų | 84.1 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 128.3 | 178.5 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | I55 | S39-I55 WeakPolarHBondContact CA-O 3.37Å |
| 40 | Y | 96.8 | Very high | 92.6 | Very high | 46 Ų | 46 | 84.1 Ų | 84.1 | 18% | 0.18 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 147.4 | 179.8 | -59.6 | -90.3 | 0 | 0 | 0 | 111.1 | T20 I24 D38 I55 D57 | T20-Y40 HydrophobicContact CG2-CD2 3.36Å; T20-Y40 HydrophobicContact CG2-CE2 3.8Å; T20-Y40 HydrophobicContact CG2-CG 3.81Å; I24-Y40 HydrophobicContact CG1-CD1 4.24Å; I24-Y40 HydrophobicContact CG1-CG 4.21Å; I24-Y40 HydrophobicContact CG2-CD1 4.48Å; D38-Y40 HydrophobicContact CB-CD2 4.34Å; D38-Y40 HydrophobicContact CB-CE2 3.5Å; D38-Y40 VanDerWaalsContact CB-CE2 3.5Å; Y40-I55 PolarHBondContact N-O 3.48Å; Y40-I55 PolarHBondContact O-N 3.17Å; Y40-D57 HydrophobicContact CE2-CB 4.15Å |
| 41 | R | 97.3 | Very high | 93.2 | Very high | 144 Ų | 144 | 77.6 Ų | 77.6 | 54% | 0.543 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 134.7 | 177.2 | -70.9 | 179.8 | 172 | -159.5 | -10.7 | 111.6 | E3 L52 L53 D54 | E3-R41 IonicContact OE1-NH2 2.82Å; R41-L52 HydrophobicContact CB-CD1 4.26Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.43Å; R41-D54 WeakPolarHBondContact CG-OD1 3.27Å; R41-D54 IonicContact CZ-OD1 3.61Å; R41-D54 IonicContact CZ-OD2 2.92Å; R41-D54 IonicContact NE-OD1 2.83Å; R41-D54 PolarHBondContact NE-OD1 2.68Å; R41-D54 IonicContact NE-OD2 3.48Å; R41-D54 IonicContact NH2-OD1 3.42Å; R41-D54 IonicContact NH2-OD2 3.66Å; R41-D54 PolarHBondContact NH2-OD2 2.95Å |
| 42 | K | 97.1 | Very high | 93.8 | Very high | 49 Ų | 49 | 71 Ų | 71 | 21% | 0.213 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 127.7 | 175.7 | -171.1 | -178.5 | -174.1 | -177.4 | 0 | 111.5 | L23 I24 V44 L53 | L23-K42 HydrophobicContact CG-CD 4.25Å; L23-K42 PolarHBondContact O-NZ 3.26Å; I24-K42 HydrophobicContact CD1-CB 3.52Å; I24-K42 HydrophobicContact CD1-CD 4.21Å; I24-K42 HydrophobicContact CD1-CG 4.38Å; K42-V44 HydrophobicContact CD-CG1 3.85Å; K42-V44 HydrophobicContact CG-CG1 3.86Å; K42-L53 PolarHBondContact N-O 3.18Å; K42-L53 PolarHBondContact O-N 3.44Å |
| 43 | Q | 98 | Very high | 94.6 | Very high | 127 Ų | 127 | 64.7 Ų | 64.7 | 59% | 0.593 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 129.8 | 169 | -178.2 | 176.8 | -30.3 | 0 | 0 | 109.5 | M1 T50 C51 | M1-Q43 HydrophobicContact SD-CG 3.79Å; Q43-T50 HydrophobicContact CG-CG2 3.81Å; Q43-T50 VanDerWaalsContact NE2-CG2 3.31Å; Q43-C51 WeakPolarHBondContact CA-O 3.44Å |
| 44 | V | 97.6 | Very high | 95.2 | Very high | 12 Ų | 12 | 59 Ų | 59 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 165.6 | -179.7 | -62.5 | 0 | 0 | 0 | 0 | 110.4 | K42 I46 T50 C51 L53 Y157 | K42-V44 HydrophobicContact CD-CG1 3.85Å; K42-V44 HydrophobicContact CG-CG1 3.86Å; V44-I46 HydrophobicContact CG2-CD1 3.72Å; V44-I46 HydrophobicContact CG2-CG1 3.82Å; V44-T50 WeakPolarHBondContact O-CA 3.41Å; V44-C51 PolarHBondContact N-O 3.22Å; V44-C51 PolarHBondContact O-N 3.35Å; V44-L53 HydrophobicContact CG1-CD1 4.32Å; V44-L53 HydrophobicContact CG2-CD1 3.88Å; V44-L53 HydrophobicContact CG2-CD2 3.95Å; V44-L53 HydrophobicContact CG2-CG 3.76Å; V44-Y157 HydrophobicContact CB-CE1 4.2Å; V44-Y157 HydrophobicContact CG1-CE1 4.16Å; V44-Y157 HydrophobicContact CG2-CE1 4.08Å |
| 45 | V | 98 | Very high | 95.7 | Very high | 91 Ų | 91 | 56.1 Ų | 56.1 | 55% | 0.552 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 116.4 | 170.7 | -179.2 | 0 | 0 | 0 | 0 | 108 | ||
| 46 | I | 98 | Very high | 96.3 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 117.5 | 179.2 | -59.2 | 168.8 | 0 | 0 | 0 | 107.9 | V44 G48 E49 L53 Y157 V160 R161 R164 | V44-I46 HydrophobicContact CG2-CD1 3.72Å; V44-I46 HydrophobicContact CG2-CG1 3.82Å; I46-G48 VanDerWaalsContact C-N 3.26Å; I46-G48 PolarHBondContact O-N 3.5Å; I46-E49 PolarHBondContact N-O 2.89Å; I46-E49 PolarHBondContact O-N 3.14Å; I46-L53 HydrophobicContact CD1-CD2 4.24Å; I46-Y157 HydrophobicContact CD1-CD1 3.37Å; I46-Y157 HydrophobicContact CD1-CE1 3.97Å; I46-Y157 HydrophobicContact CD1-CG 3.86Å; I46-Y157 HydrophobicContact CG1-CD1 3.65Å; I46-Y157 HydrophobicContact CG1-CD2 4.27Å; I46-Y157 HydrophobicContact CG1-CE1 4.02Å; I46-Y157 HydrophobicContact CG1-CG 3.8Å; I46-V160 HydrophobicContact CD1-CB 3.8Å; I46-V160 HydrophobicContact CD1-CG1 3.88Å; I46-V160 HydrophobicContact CD1-CG2 3.71Å; I46-R161 HydrophobicContact CG2-CG 4.48Å; I46-R164 PolarHBondContact O-NH1 2.79Å; I46-R164 PolarHBondContact O-NH2 3.38Å |
| 47 | D | 97.4 | Very high | 96.8 | Very high | 105 Ų | 105 | 52 Ų | 52 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 39.5 | -178.1 | -47.5 | -34 | 0 | 0 | 0 | 112.5 | E49 R161 R164 | D47-E49 VanDerWaalsContact C-N 3.27Å; D47-E49 PolarHBondContact O-N 3.2Å; D47-R161 IonicContact OD1-CZ 3.74Å; D47-R161 IonicContact OD1-NE 3.14Å; D47-R161 PolarHBondContact OD1-NE 3.29Å; D47-R161 VanDerWaalsContact OD1-NE 3.14Å; D47-R161 IonicContact OD1-NH2 3.85Å; D47-R161 PolarHBondContact OD1-NH2 3.18Å; D47-R161 WeakPolarHBondContact OD2-CG 3.41Å; D47-R161 IonicContact OD2-CZ 3.35Å; D47-R161 IonicContact OD2-NE 2.89Å; D47-R161 PolarHBondContact OD2-NE 3.02Å; D47-R161 IonicContact OD2-NH2 3.01Å; D47-R164 IonicContact OD2-NH1 2.99Å |
| 48 | G | 97.1 | Very high | 97.1 | Very high | 72 Ų | 72 | 47.8 Ų | 47.8 | 74% | 0.742 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | -5.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | I46 | I46-G48 VanDerWaalsContact C-N 3.26Å; I46-G48 PolarHBondContact O-N 3.5Å |
| 49 | E | 97 | Very high | 97 | Very high | 73 Ų | 73 | 44.6 Ų | 44.6 | 34% | 0.341 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 123.2 | 177 | -177.9 | -167.9 | 135.6 | 0 | 0 | 110.8 | T2 Y4 I46 D47 R164 | T2-E49 PolarHBondContact OG1-OE1 2.91Å; Y4-E49 PolarHBondContact OH-OE1 3.29Å; I46-E49 PolarHBondContact N-O 2.89Å; I46-E49 PolarHBondContact O-N 3.14Å; D47-E49 VanDerWaalsContact C-N 3.27Å; D47-E49 PolarHBondContact O-N 3.2Å; E49-R164 IonicContact OE1-NH2 2.79Å; E49-R164 PolarHBondContact OE1-NH2 3.4Å; E49-R164 IonicContact OE2-CZ 3.93Å; E49-R164 IonicContact OE2-NE 3.59Å; E49-R164 IonicContact OE2-NH2 3.73Å; E49-R164 PolarHBondContact OE2-NH2 2.68Å |
| 50 | T | 97.9 | Very high | 96.5 | Very high | 59 Ų | 59 | 41.3 Ų | 41.3 | 36% | 0.362 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 125.6 | 171.4 | -53.5 | 0 | 0 | 0 | 0 | 110.7 | M1 Q43 V44 | M1-T50 HydrophobicContact CG-CG2 4.4Å; M1-T50 HydrophobicContact SD-CG2 3.89Å; Q43-T50 HydrophobicContact CG-CG2 3.81Å; Q43-T50 VanDerWaalsContact NE2-CG2 3.31Å; V44-T50 WeakPolarHBondContact O-CA 3.41Å |
| 51 | C | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 159.6 | 177.2 | 62 | 0 | 0 | 0 | 0 | 112.6 | T2 Y4 Q43 V44 | T2-C51 CarbonylContact O-C 3.58Å; T2-C51 VanDerWaalsContact O-CA 3.27Å; T2-C51 WeakPolarHBondContact O-CA 3.09Å; T2-C51 VanDerWaalsContact O-CB 3.28Å; T2-C51 WeakPolarHBondContact O-CB 3.35Å; Y4-C51 HydrophobicContact CD2-CB 3.76Å; Y4-C51 HydrophobicContact CE2-CB 3.55Å; Q43-C51 WeakPolarHBondContact CA-O 3.44Å; V44-C51 PolarHBondContact N-O 3.22Å; V44-C51 PolarHBondContact O-N 3.35Å |
| 52 | L | 98.4 | Very high | 95.2 | Very high | 31 Ų | 31 | 42.1 Ų | 42.1 | 16% | 0.162 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 123.1 | 171.8 | -175.6 | 67.2 | 0 | 0 | 0 | 109.1 | M1 T2 E3 Y4 R41 | M1-L52 HydrophobicContact CE-CB 3.88Å; M1-L52 HydrophobicContact SD-CB 4.15Å; T2-L52 PolarHBondContact O-N 3.06Å; E3-L52 CarbonylContact C-O 3.59Å; E3-L52 WeakPolarHBondContact CA-O 3.38Å; E3-L52 HydrophobicContact CB-CB 4.5Å; E3-L52 HydrophobicContact CG-CB 4.43Å; E3-L52 HydrophobicContact CG-CD2 4.22Å; E3-L52 HydrophobicContact CG-CG 4.5Å; Y4-L52 PolarHBondContact N-O 3.09Å; R41-L52 HydrophobicContact CB-CD1 4.26Å |
| 53 | L | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 122.7 | 167.8 | -48 | -174.2 | 0 | 0 | 0 | 107.8 | L6 L23 R41 K42 V44 I46 I55 Y157 V160 | L6-L53 HydrophobicContact CD1-CB 4.4Å; L6-L53 HydrophobicContact CD1-CD1 4.44Å; L6-L53 HydrophobicContact CD1-CD2 4.24Å; L23-L53 HydrophobicContact CD2-CD1 4.14Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.43Å; K42-L53 PolarHBondContact N-O 3.18Å; K42-L53 PolarHBondContact O-N 3.44Å; V44-L53 HydrophobicContact CG1-CD1 4.32Å; V44-L53 HydrophobicContact CG2-CD1 3.88Å; V44-L53 HydrophobicContact CG2-CD2 3.95Å; V44-L53 HydrophobicContact CG2-CG 3.76Å; I46-L53 HydrophobicContact CD1-CD2 4.24Å; L53-I55 HydrophobicContact CB-CD1 4.18Å; L53-I55 HydrophobicContact CB-CG1 3.99Å; L53-I55 HydrophobicContact CD1-CD1 4.49Å; L53-Y157 HydrophobicContact CD1-CE1 4.41Å; L53-V160 HydrophobicContact CD2-CG2 3.59Å |
| 54 | D | 98.2 | Very high | 93.9 | Very high | 18 Ų | 18 | 45.1 Ų | 45.1 | 10% | 0.096 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 96.8 | 170.4 | -166.6 | 22.4 | 0 | 0 | 0 | 106.8 | E3 Y4 K5 L6 R41 | E3-D54 HydrophobicContact CG-CB 4.09Å; Y4-D54 PolarHBondContact O-N 3.44Å; K5-D54 CarbonylContact C-O 3.55Å; K5-D54 WeakPolarHBondContact CA-O 3.28Å; K5-D54 HydrophobicContact CG-CB 4.36Å; K5-D54 IonicContact NZ-OD2 4Å; K5-D54 PolarHBondContact NZ-OD2 2.69Å; L6-D54 PolarHBondContact N-O 3.01Å; R41-D54 WeakPolarHBondContact CG-OD1 3.27Å; R41-D54 IonicContact CZ-OD1 3.61Å; R41-D54 IonicContact CZ-OD2 2.92Å; R41-D54 IonicContact NE-OD1 2.83Å; R41-D54 PolarHBondContact NE-OD1 2.68Å; R41-D54 IonicContact NE-OD2 3.48Å; R41-D54 IonicContact NH2-OD1 3.42Å; R41-D54 IonicContact NH2-OD2 3.66Å; R41-D54 PolarHBondContact NH2-OD2 2.95Å |
| 55 | I | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 124.6 | -169.1 | -54.1 | 174.9 | 0 | 0 | 0 | 108.9 | L6 V8 T20 L23 I24 S39 Y40 L53 F156 | L6-I55 HydrophobicContact CB-CG1 4.39Å; L6-I55 HydrophobicContact CD1-CG1 4.39Å; L6-I55 CarbonylContact O-C 3.55Å; L6-I55 WeakPolarHBondContact O-CA 3.44Å; V8-I55 HydrophobicContact CG2-CG2 3.89Å; T20-I55 HydrophobicContact CG2-CB 4.46Å; T20-I55 HydrophobicContact CG2-CG2 3.84Å; L23-I55 HydrophobicContact CD2-CD1 3.55Å; I24-I55 HydrophobicContact CD1-CD1 4.15Å; S39-I55 WeakPolarHBondContact CA-O 3.37Å; Y40-I55 PolarHBondContact N-O 3.48Å; Y40-I55 PolarHBondContact O-N 3.17Å; L53-I55 HydrophobicContact CB-CD1 4.18Å; L53-I55 HydrophobicContact CB-CG1 3.99Å; L53-I55 HydrophobicContact CD1-CD1 4.49Å; I55-F156 HydrophobicContact CD1-CD1 3.92Å; I55-F156 HydrophobicContact CD1-CE1 3.75Å; I55-F156 HydrophobicContact CD1-CZ 4.5Å; I55-F156 HydrophobicContact CG1-CE1 4.37Å; I55-F156 HydrophobicContact CG2-CE1 3.98Å |
| 56 | L | 97.5 | Very high | 92.6 | Very high | 24 Ų | 24 | 47.6 Ų | 47.6 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 110.7 | 172.3 | -171.1 | 58.6 | 0 | 0 | 0 | 109.2 | L6 V7 V8 E37 T58 | L6-L56 PolarHBondContact O-N 3.46Å; V7-L56 HydrophobicContact CG2-CB 4.29Å; V7-L56 HydrophobicContact CG2-CD2 4.48Å; V8-L56 PolarHBondContact N-O 2.94Å; E37-L56 HydrophobicContact CG-CD1 3.52Å; E37-L56 HydrophobicContact CG-CG 4.46Å; L56-T58 HydrophobicContact CG-CG2 4.34Å |
| 57 | D | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 130.3 | 170.8 | -175.1 | 33.3 | 0 | 0 | 0 | 109.4 | K16 S17 E37 D38 Y40 | K16-D57 VanDerWaalsContact CB-OD1 3.24Å; K16-D57 WeakPolarHBondContact CB-OD1 3.49Å; S17-D57 WeakPolarHBondContact CA-OD2 3.49Å; S17-D57 WeakPolarHBondContact CB-OD2 3.49Å; S17-D57 PolarHBondContact N-OD1 2.96Å; S17-D57 PolarHBondContact N-OD2 3.09Å; S17-D57 PolarHBondContact OG-OD2 3.45Å; E37-D57 WeakPolarHBondContact CA-O 3.39Å; D38-D57 HydrophobicContact CB-CB 4.44Å; D38-D57 PolarHBondContact N-O 3.35Å; D38-D57 PolarHBondContact O-N 3.36Å; Y40-D57 HydrophobicContact CE2-CB 4.15Å |
| 58 | T | 94 | Very high | 91.5 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 157.1 | -168.9 | 78.3 | 0 | 0 | 0 | 0 | 112.1 | V7 V8 K16 L56 G60 Y71 | V7-T58 HydrophobicContact CG1-CG2 3.72Å; V8-T58 PolarHBondContact O-OG1 3.33Å; V8-T58 VanDerWaalsContact O-OG1 3.09Å; K16-T58 WeakPolarHBondContact CE-O 3.45Å; K16-T58 PolarHBondContact NZ-O 3.02Å; L56-T58 HydrophobicContact CG-CG2 4.34Å; T58-G60 PolarHBondContact O-N 2.95Å; T58-Y71 HydrophobicContact CG2-CD1 3.81Å; T58-Y71 HydrophobicContact CG2-CD2 4.01Å; T58-Y71 HydrophobicContact CG2-CE1 3.75Å; T58-Y71 HydrophobicContact CG2-CE2 4.01Å; T58-Y71 HydrophobicContact CG2-CG 3.92Å |
| 59 | A | 90.9 | Very high | 91.3 | Very high | 5 Ų | 5 | 46 Ų | 46 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | trans | -54.1 | 141.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T35 I36 Y64 | T35-A59 WeakPolarHBondContact O-CA 3.1Å; T35-A59 WeakPolarHBondContact O-CB 3.48Å; I36-A59 WeakPolarHBondContact O-CB 3.39Å; I36-A59 PolarHBondContact O-N 3.34Å; A59-Y64 HydrophobicContact CB-CD2 3.59Å; A59-Y64 HydrophobicContact CB-CE2 4.5Å; A59-Y64 HydrophobicContact CB-CG 3.87Å | ||
| 60 | G | 84.6 | Confident | 91 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | trans | -99.5 | -7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G10 G12 K16 T58 | G10-G60 VanDerWaalsContact O-CA 3.23Å; G10-G60 WeakPolarHBondContact O-CA 3.48Å; G12-G60 PolarHBondContact N-O 3.24Å; G12-G60 VanDerWaalsContact N-O 3.13Å; K16-G60 VanDerWaalsContact NZ-CA 3.26Å; T58-G60 PolarHBondContact O-N 2.95Å | ||
| 61 | Q | 84.2 | Confident | 90.7 | Very high | 63 Ų | 63 | 46.2 Ų | 46.2 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -82.3 | 151.9 | -174.2 | -47.7 | -67.3 | 21.9 | 0 | 0 | 111.2 | Y32 E63 Y64 | Y32-Q61 PolarHBondContact OH-NE2 3.37Å; Q61-E63 VanDerWaalsContact C-N 3.33Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.31Å; Q61-Y64 HydrophobicContact CB-CD2 4.21Å; Q61-Y64 PolarHBondContact O-N 2.68Å |
| 62 | E | 82.3 | Confident | 90.5 | Very high | 143 Ų | 143 | 46.2 Ų | 46.2 | 67% | 0.668 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -72.9 | -26.9 | -175.5 | -69.5 | -165.3 | 155.9 | 0 | 0 | 112.7 | Y64 S65 | E62-Y64 PolarHBondContact O-N 3.13Å; E62-Y64 VanDerWaalsContact O-N 3.15Å; E62-S65 WeakPolarHBondContact O-CB 3.4Å; E62-S65 PolarHBondContact O-N 3.07Å; E62-S65 PolarHBondContact O-OG 3.29Å |
| 63 | E | 85.3 | Confident | 90.3 | Very high | 153 Ų | 153 | 52.2 Ų | 52.2 | 72% | 0.715 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -59.8 | -27.1 | 178.3 | -59.9 | 82.8 | 175.7 | 0 | 0 | 111.8 | Q61 | Q61-E63 VanDerWaalsContact C-N 3.33Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.31Å |
| 64 | Y | 83.7 | Confident | 90.1 | Very high | 87 Ų | 87 | 56 Ų | 56 | 34% | 0.341 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -97.3 | 12.7 | 177.7 | -59.8 | -65.3 | 0 | 0 | 0 | 113.2 | I36 A59 Q61 E62 A66 M67 | I36-Y64 HydrophobicContact CG1-CE1 4.39Å; I36-Y64 HydrophobicContact CG1-CE2 4.33Å; I36-Y64 HydrophobicContact CG2-CD1 4.5Å; I36-Y64 HydrophobicContact CG2-CE1 4.2Å; A59-Y64 HydrophobicContact CB-CD2 3.59Å; A59-Y64 HydrophobicContact CB-CE2 4.5Å; A59-Y64 HydrophobicContact CB-CG 3.87Å; Q61-Y64 HydrophobicContact CB-CD2 4.21Å; Q61-Y64 PolarHBondContact O-N 2.68Å; E62-Y64 PolarHBondContact O-N 3.13Å; E62-Y64 VanDerWaalsContact O-N 3.15Å; Y64-A66 PolarHBondContact O-N 3.48Å; Y64-M67 HydrophobicContact CD1-CE 3.28Å; Y64-M67 HydrophobicContact CE1-CE 4.19Å; Y64-M67 HydrophobicContact CG-CE 3.81Å; Y64-M67 PolarHBondContact O-N 2.96Å; Y64-M67 VanDerWaalsContact O-N 3.09Å |
| 65 | S | 82.4 | Confident | 90 | Very high | 59 Ų | 59 | 55.2 Ų | 55.2 | 41% | 0.413 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -58.5 | -28.8 | -179.1 | 57.4 | 0 | 0 | 0 | 0 | 114 | E62 M67 R68 | E62-S65 WeakPolarHBondContact O-CB 3.4Å; E62-S65 PolarHBondContact O-N 3.07Å; E62-S65 PolarHBondContact O-OG 3.29Å; S65-M67 VanDerWaalsContact C-N 3.26Å; S65-M67 PolarHBondContact O-N 3.4Å; S65-R68 WeakPolarHBondContact O-CB 3.42Å; S65-R68 VanDerWaalsContact O-CG 3.24Å; S65-R68 WeakPolarHBondContact O-CG 3.47Å; S65-R68 PolarHBondContact O-N 3.43Å |
| 66 | A | 84.9 | Confident | 90 | Very high | 95 Ų | 95 | 57.8 Ų | 57.8 | 79% | 0.785 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -66.3 | -24.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y64 R68 | Y64-A66 PolarHBondContact O-N 3.48Å; A66-R68 VanDerWaalsContact C-N 3.35Å |
| 67 | M | 84.8 | Confident | 90.1 | Very high | 66 Ų | 66 | 56.7 Ų | 56.7 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -84.9 | -10.3 | 179.7 | -64.1 | -171.2 | -63.8 | 0 | 0 | 112.9 | I36 Y64 S65 D69 Q70 Y71 | I36-M67 HydrophobicContact CG2-CE 4.12Å; Y64-M67 HydrophobicContact CD1-CE 3.28Å; Y64-M67 HydrophobicContact CE1-CE 4.19Å; Y64-M67 HydrophobicContact CG-CE 3.81Å; Y64-M67 PolarHBondContact O-N 2.96Å; Y64-M67 VanDerWaalsContact O-N 3.09Å; S65-M67 VanDerWaalsContact C-N 3.26Å; S65-M67 PolarHBondContact O-N 3.4Å; M67-D69 PolarHBondContact O-N 2.65Å; M67-Q70 WeakPolarHBondContact O-CB 3.26Å; M67-Q70 PolarHBondContact O-N 3.28Å; M67-Q70 VanDerWaalsContact O-N 3.14Å; M67-Y71 WeakPolarHBondContact O-CD1 2.96Å |
| 68 | R | 88.4 | Confident | 90.2 | Very high | 27 Ų | 27 | 56.7 Ų | 56.7 | 10% | 0.102 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -42.1 | -172.3 | -58.4 | -167.9 | 175.7 | 165.8 | 2.8 | 114 | S65 A66 Q70 Y71 M72 Y96 Q99 | S65-R68 WeakPolarHBondContact O-CB 3.42Å; S65-R68 VanDerWaalsContact O-CG 3.24Å; S65-R68 WeakPolarHBondContact O-CG 3.47Å; S65-R68 PolarHBondContact O-N 3.43Å; A66-R68 VanDerWaalsContact C-N 3.35Å; R68-Q70 PolarHBondContact O-N 2.95Å; R68-Y71 HydrophobicContact CB-CE1 4.05Å; R68-Y71 HydrophobicContact CB-CE2 4.14Å; R68-Y71 HydrophobicContact CG-CE1 3.97Å; R68-Y71 WeakPolarHBondContact CG-OH 3.45Å; R68-Y71 VanDerWaalsContact O-CD2 3.24Å; R68-Y71 WeakPolarHBondContact O-CD2 3.06Å; R68-Y71 WeakPolarHBondContact O-CE2 3.27Å; R68-Y71 PolarHBondContact O-N 3.25Å; R68-M72 HydrophobicContact CB-CE 4.16Å; R68-M72 WeakPolarHBondContact O-CB 3.46Å; R68-M72 WeakPolarHBondContact O-CG 3.46Å; R68-M72 PolarHBondContact O-N 2.77Å; R68-Y96 PolarHBondContact NH2-OH 3.44Å; R68-Y96 VanDerWaalsContact NH2-OH 3.16Å; R68-Q99 VanDerWaalsContact CD-OE1 3.24Å |
| 69 | D | 92.6 | Very high | 90.4 | Very high | 52 Ų | 52 | 56.6 Ų | 56.6 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.2 | -28.2 | -178.8 | -74 | 16.2 | 0 | 0 | 0 | 112 | M67 R73 Q99 R102 V103 | M67-D69 PolarHBondContact O-N 2.65Å; D69-R73 WeakPolarHBondContact O-CB 3.45Å; D69-R73 PolarHBondContact O-N 3.1Å; D69-R73 VanDerWaalsContact O-N 3.15Å; D69-Q99 PolarHBondContact OD1-NE2 2.93Å; D69-R102 IonicContact OD1-NH2 2.65Å; D69-R102 PolarHBondContact OD1-NH2 2.78Å; D69-R102 IonicContact OD2-NH2 3.54Å; D69-V103 HydrophobicContact CB-CG2 3.92Å; D69-V103 VanDerWaalsContact CG-CG2 3.47Å; D69-V103 WeakPolarHBondContact O-CG1 3.39Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.45Å |
| 70 | Q | 91.2 | Very high | 90.8 | Very high | 127 Ų | 127 | 56.4 Ų | 56.4 | 59% | 0.593 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -68.2 | -54.8 | 178.4 | 178.6 | 174.6 | -44.9 | 0 | 0 | 111.4 | M67 R68 M72 R73 T74 | M67-Q70 WeakPolarHBondContact O-CB 3.26Å; M67-Q70 PolarHBondContact O-N 3.28Å; M67-Q70 VanDerWaalsContact O-N 3.14Å; R68-Q70 PolarHBondContact O-N 2.95Å; Q70-M72 VanDerWaalsContact C-N 3.31Å; Q70-M72 PolarHBondContact O-N 3.35Å; Q70-R73 PolarHBondContact O-N 2.95Å; Q70-T74 PolarHBondContact O-N 3.01Å |
| 71 | Y | 90.8 | Very high | 91.5 | Very high | 10 Ų | 10 | 56 Ų | 56 | 4% | 0.039 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.8 | -31.5 | -179.7 | 60.2 | -121.6 | 0 | 0 | 0 | 112.2 | V7 V9 T58 M67 R68 R73 T74 G75 | V7-Y71 HydrophobicContact CG1-CD2 3.75Å; V7-Y71 HydrophobicContact CG1-CE2 4.26Å; V7-Y71 HydrophobicContact CG1-CG 4.41Å; V9-Y71 HydrophobicContact CG1-CE2 3.78Å; T58-Y71 HydrophobicContact CG2-CD1 3.81Å; T58-Y71 HydrophobicContact CG2-CD2 4.01Å; T58-Y71 HydrophobicContact CG2-CE1 3.75Å; T58-Y71 HydrophobicContact CG2-CE2 4.01Å; T58-Y71 HydrophobicContact CG2-CG 3.92Å; M67-Y71 WeakPolarHBondContact O-CD1 2.96Å; R68-Y71 HydrophobicContact CB-CE1 4.05Å; R68-Y71 HydrophobicContact CB-CE2 4.14Å; R68-Y71 HydrophobicContact CG-CE1 3.97Å; R68-Y71 WeakPolarHBondContact CG-OH 3.45Å; R68-Y71 VanDerWaalsContact O-CD2 3.24Å; R68-Y71 WeakPolarHBondContact O-CD2 3.06Å; R68-Y71 WeakPolarHBondContact O-CE2 3.27Å; R68-Y71 PolarHBondContact O-N 3.25Å; Y71-R73 VanDerWaalsContact C-N 3.28Å; Y71-R73 PolarHBondContact O-N 2.93Å; Y71-T74 PolarHBondContact O-N 2.9Å; Y71-T74 PolarHBondContact O-OG1 2.96Å; Y71-T74 VanDerWaalsContact O-OG1 3.09Å; Y71-G75 PolarHBondContact O-N 3.16Å; Y71-G75 VanDerWaalsContact O-N 3.12Å |
| 72 | M | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.5 | -31.6 | 176.4 | -72.4 | 178.9 | -175.9 | 0 | 0 | 111.8 | V9 R68 Q70 F78 Y96 Q99 I100 V103 K104 | V9-M72 HydrophobicContact CG1-CE 4.49Å; R68-M72 HydrophobicContact CB-CE 4.16Å; R68-M72 WeakPolarHBondContact O-CB 3.46Å; R68-M72 WeakPolarHBondContact O-CG 3.46Å; R68-M72 PolarHBondContact O-N 2.77Å; Q70-M72 VanDerWaalsContact C-N 3.31Å; Q70-M72 PolarHBondContact O-N 3.35Å; M72-F78 HydrophobicContact CB-CE1 4.3Å; M72-F78 HydrophobicContact CG-CE1 4.16Å; M72-F78 WeakPolarHBondContact O-CZ 3.46Å; M72-Y96 HydrophobicContact CE-CD1 4.25Å; M72-Q99 HydrophobicContact CE-CB 4.07Å; M72-Q99 HydrophobicContact CE-CG 3.99Å; M72-Q99 HydrophobicContact SD-CB 3.95Å; M72-Q99 HydrophobicContact SD-CG 3.55Å; M72-Q99 VanDerWaalsContact SD-CG 3.55Å; M72-I100 HydrophobicContact CE-CG1 3.8Å; M72-I100 HydrophobicContact CG-CG1 3.92Å; M72-I100 HydrophobicContact SD-CB 4.36Å; M72-I100 HydrophobicContact SD-CG1 3.65Å; M72-V103 HydrophobicContact CB-CB 3.99Å; M72-V103 HydrophobicContact CB-CG1 3.72Å; M72-V103 HydrophobicContact CB-CG2 4.31Å; M72-V103 HydrophobicContact SD-CG2 4.39Å; M72-K104 WeakPolarHBondContact O-CD 3.39Å |
| 73 | R | 95.4 | Very high | 93 | Very high | 157 Ų | 157 | 46.2 Ų | 46.2 | 59% | 0.592 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -66.6 | -43.1 | 178 | -167.2 | 174.5 | -62.1 | 131 | 6 | 111.8 | D69 Q70 Y71 V103 K104 | D69-R73 WeakPolarHBondContact O-CB 3.45Å; D69-R73 PolarHBondContact O-N 3.1Å; D69-R73 VanDerWaalsContact O-N 3.15Å; Q70-R73 PolarHBondContact O-N 2.95Å; Y71-R73 VanDerWaalsContact C-N 3.28Å; Y71-R73 PolarHBondContact O-N 2.93Å; R73-V103 HydrophobicContact CB-CG1 3.95Å; R73-K104 PolarHBondContact O-NZ 3.29Å |
| 74 | T | 93 | Very high | 93.6 | Very high | 80 Ų | 80 | 39 Ų | 39 | 49% | 0.491 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -79.2 | -26.1 | -175.4 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | Q70 Y71 | Q70-T74 PolarHBondContact O-N 3.01Å; Y71-T74 PolarHBondContact O-N 2.9Å; Y71-T74 PolarHBondContact O-OG1 2.96Å; Y71-T74 VanDerWaalsContact O-OG1 3.09Å |
| 75 | G | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -63.2 | 134.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y71 K104 | Y71-G75 PolarHBondContact O-N 3.16Å; Y71-G75 VanDerWaalsContact O-N 3.12Å; G75-K104 PolarHBondContact O-NZ 3Å | ||
| 76 | E | 98 | Very high | 95 | Very high | 55 Ų | 55 | 37.2 Ų | 37.2 | 26% | 0.257 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -90 | -26.7 | 171.1 | -68.9 | -179.8 | 100 | 0 | 0 | 112.2 | Y4 K5 I163 K167 | Y4-E76 WeakPolarHBondContact CA-OE2 3.49Å; K5-E76 HydrophobicContact CB-CB 4.49Å; K5-E76 HydrophobicContact CB-CG 4.18Å; K5-E76 PolarHBondContact N-OE2 2.84Å; K5-E76 PolarHBondContact O-N 3.13Å; E76-I163 HydrophobicContact CB-CD1 4.11Å; E76-I163 HydrophobicContact CB-CG2 4.33Å; E76-K167 WeakPolarHBondContact OE1-CE 3.24Å; E76-K167 IonicContact OE1-NZ 2.68Å; E76-K167 PolarHBondContact OE1-NZ 3.11Å |
| 77 | G | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 159.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K5 L6 V7 P110 | K5-G77 PolarHBondContact O-N 3.12Å; L6-G77 WeakPolarHBondContact CA-O 3.43Å; V7-G77 PolarHBondContact N-O 2.88Å; G77-P110 CarbonylContact C-O 3.57Å; G77-P110 WeakPolarHBondContact CA-O 3.42Å |
| 78 | F | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130.1 | -169.5 | -56.4 | -92 | 0 | 0 | 0 | 112.5 | V7 V9 M72 I100 K104 V109 P110 M111 V112 | V7-F78 HydrophobicContact CB-CD1 3.7Å; V7-F78 HydrophobicContact CB-CE1 3.77Å; V7-F78 HydrophobicContact CG1-CD1 4.25Å; V7-F78 HydrophobicContact CG1-CE1 4.28Å; V7-F78 HydrophobicContact CG2-CD1 4.35Å; V7-F78 HydrophobicContact CG2-CE1 3.92Å; V7-F78 CarbonylContact O-C 3.31Å; V7-F78 VanDerWaalsContact O-CA 3.3Å; V7-F78 WeakPolarHBondContact O-CA 3.47Å; V9-F78 HydrophobicContact CG1-CD1 4.4Å; M72-F78 HydrophobicContact CB-CE1 4.3Å; M72-F78 HydrophobicContact CG-CE1 4.16Å; M72-F78 WeakPolarHBondContact O-CZ 3.46Å; F78-I100 HydrophobicContact CB-CD1 3.8Å; F78-I100 HydrophobicContact CD1-CD1 3.71Å; F78-I100 HydrophobicContact CD1-CG1 3.99Å; F78-I100 HydrophobicContact CD1-CG2 4.46Å; F78-I100 HydrophobicContact CD2-CD1 4.23Å; F78-I100 HydrophobicContact CD2-CG2 3.63Å; F78-I100 HydrophobicContact CE1-CD1 4.45Å; F78-I100 HydrophobicContact CE1-CG1 4.24Å; F78-I100 HydrophobicContact CE1-CG2 4.4Å; F78-I100 HydrophobicContact CE2-CG2 3.55Å; F78-I100 HydrophobicContact CG-CD1 3.62Å; F78-I100 HydrophobicContact CG-CG1 4.18Å; F78-I100 HydrophobicContact CG-CG2 4.13Å; F78-I100 HydrophobicContact CZ-CG2 3.98Å; F78-K104 HydrophobicContact CE2-CD 4.3Å; F78-K104 HydrophobicContact CE2-CG 4.35Å; F78-K104 HydrophobicContact CZ-CD 4.25Å; F78-V109 HydrophobicContact CD2-CG1 3.75Å; F78-V109 HydrophobicContact CE2-CG1 3.67Å; F78-P110 PolarHBondContact N-O 2.89Å; F78-M111 HydrophobicContact CB-CG 4.19Å; F78-M111 CarbonylContact O-C 3.51Å; F78-M111 WeakPolarHBondContact O-CA 3.31Å; F78-V112 PolarHBondContact O-N 2.91Å |
| 79 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 117.9 | 160.9 | -67.5 | -172 | 0 | 0 | 0 | 108.3 | V7 V8 V9 V81 V112 V114 A155 F156 L159 | V7-L79 PolarHBondContact O-N 3.36Å; V8-L79 HydrophobicContact CG1-CB 4.28Å; V8-L79 HydrophobicContact CG2-CD1 4.49Å; V9-L79 WeakPolarHBondContact CG2-O 3.47Å; V9-L79 PolarHBondContact N-O 3.3Å; L79-V81 HydrophobicContact CB-CG2 4.19Å; L79-V112 HydrophobicContact CD2-CB 3.73Å; L79-V112 HydrophobicContact CD2-CG1 4.28Å; L79-V112 HydrophobicContact CD2-CG2 4.38Å; L79-V114 HydrophobicContact CB-CG2 4.39Å; L79-V114 HydrophobicContact CD2-CG2 4.01Å; L79-A155 HydrophobicContact CD1-CB 4.39Å; L79-A155 HydrophobicContact CD2-CB 4.46Å; L79-F156 HydrophobicContact CD1-CD1 3.68Å; L79-F156 HydrophobicContact CD1-CD2 4.07Å; L79-F156 HydrophobicContact CD1-CE1 3.54Å; L79-F156 HydrophobicContact CD1-CE2 3.95Å; L79-F156 HydrophobicContact CD1-CG 3.95Å; L79-F156 HydrophobicContact CD1-CZ 3.69Å; L79-L159 HydrophobicContact CD2-CB 3.95Å; L79-L159 HydrophobicContact CD2-CD2 3.81Å; L79-L159 HydrophobicContact CD2-CG 4.4Å; L79-L159 HydrophobicContact CG-CD2 3.84Å |
| 80 | C | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 98.2 | 176.3 | -64.2 | 0 | 0 | 0 | 0 | 108.6 | I93 V112 L113 V114 | C80-I93 HydrophobicContact CB-CD1 4.2Å; C80-I93 HydrophobicContact CB-CG2 4.38Å; C80-V112 PolarHBondContact N-O 2.98Å; C80-L113 HydrophobicContact CB-CD1 4.39Å; C80-V114 PolarHBondContact O-N 3.35Å |
| 81 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 128.5 | -169.8 | -168.5 | 0 | 0 | 0 | 0 | 111 | V8 V9 G10 V14 K16 L19 L79 V114 N116 | V8-V81 HydrophobicContact CG1-CG2 3.59Å; V9-V81 PolarHBondContact O-N 2.94Å; G10-V81 WeakPolarHBondContact CA-O 3.34Å; V14-V81 HydrophobicContact CB-CG1 4.34Å; V14-V81 HydrophobicContact CG2-CB 4.02Å; V14-V81 HydrophobicContact CG2-CG1 3.84Å; K16-V81 HydrophobicContact CG-CB 4.28Å; K16-V81 HydrophobicContact CG-CG2 4.41Å; L19-V81 HydrophobicContact CD1-CG1 3.88Å; L19-V81 HydrophobicContact CD1-CG2 4.2Å; L79-V81 HydrophobicContact CB-CG2 4.19Å; V81-V114 WeakPolarHBondContact CA-O 3.49Å; V81-V114 HydrophobicContact CB-CB 4.48Å; V81-V114 HydrophobicContact CG1-CB 4.42Å; V81-V114 HydrophobicContact CG1-CG1 4.27Å; V81-V114 HydrophobicContact CG2-CB 4.15Å; V81-V114 HydrophobicContact CG2-CG1 4.49Å; V81-N116 HydrophobicContact CG1-CB 3.94Å |
| 82 | F | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 167.2 | 163.9 | 73.2 | -82.4 | 0 | 0 | 0 | 109.5 | I84 S89 F90 I93 L113 V114 G115 N116 V125 A130 F141 | F82-I84 HydrophobicContact CE2-CG2 4.08Å; F82-I84 HydrophobicContact CZ-CG2 4.5Å; F82-S89 WeakPolarHBondContact CB-O 3.21Å; F82-F90 HydrophobicContact CB-CB 4.33Å; F82-F90 AromaticContact CD1-CD2 3.87Å; F82-F90 HydrophobicContact CD1-CD2 3.87Å; F82-F90 HydrophobicContact CD2-CB 3.72Å; F82-F90 AromaticContact CD2-CD2 3.8Å; F82-F90 HydrophobicContact CD2-CD2 3.8Å; F82-F90 HydrophobicContact CD2-CG 4.19Å; F82-F90 AromaticContact CE1-CD2 3.76Å; F82-F90 HydrophobicContact CE1-CD2 3.76Å; F82-F90 HydrophobicContact CE1-CE2 4.14Å; F82-F90 HydrophobicContact CE2-CB 4.23Å; F82-F90 AromaticContact CE2-CD2 3.7Å; F82-F90 HydrophobicContact CE2-CD2 3.7Å; F82-F90 HydrophobicContact CE2-CE2 4.47Å; F82-F90 HydrophobicContact CE2-CG 4.28Å; F82-F90 HydrophobicContact CG-CB 4.07Å; F82-F90 AromaticContact CG-CD2 3.89Å; F82-F90 HydrophobicContact CG-CD2 3.89Å; F82-F90 HydrophobicContact CG-CG 4.49Å; F82-F90 AromaticContact CZ-CD2 3.68Å; F82-F90 HydrophobicContact CZ-CD2 3.68Å; F82-F90 HydrophobicContact CZ-CE2 4.08Å; F82-I93 HydrophobicContact CB-CD1 4.08Å; F82-I93 HydrophobicContact CB-CG1 4.07Å; F82-I93 HydrophobicContact CD1-CG1 4.33Å; F82-L113 HydrophobicContact CD1-CD1 3.91Å; F82-L113 HydrophobicContact CD1-CG 4.38Å; F82-L113 HydrophobicContact CE1-CD1 4.03Å; F82-L113 HydrophobicContact CE1-CD2 4.28Å; F82-L113 HydrophobicContact CE1-CG 4Å; F82-V114 WeakPolarHBondContact CD1-O 3.42Å; F82-V114 PolarHBondContact N-O 2.84Å; F82-G115 VanDerWaalsContact CE1-CA 3.42Å; F82-G115 VanDerWaalsContact CZ-CA 3.47Å; F82-N116 PolarHBondContact O-N 3.43Å; F82-V125 HydrophobicContact CE2-CB 4.07Å; F82-V125 HydrophobicContact CE2-CG1 3.85Å; F82-V125 HydrophobicContact CE2-CG2 4.33Å; F82-V125 HydrophobicContact CZ-CG1 4.33Å; F82-A130 HydrophobicContact CE1-CB 4.25Å; F82-A130 HydrophobicContact CZ-CB 3.74Å; F82-F141 AromaticContact CE1-CE2 3.94Å; F82-F141 HydrophobicContact CE1-CE2 3.94Å; F82-F141 HydrophobicContact CZ-CE2 4.05Å |
| 83 | A | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 132.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V14 N85 N86 S89 N116 K117 | V14-A83 HydrophobicContact CB-CB 4.27Å; V14-A83 HydrophobicContact CG1-CB 4.37Å; A83-N85 WeakPolarHBondContact CB-OD1 3.21Å; A83-N85 PolarHBondContact O-N 3.43Å; A83-N86 HydrophobicContact CB-CB 4.25Å; A83-N86 PolarHBondContact O-N 3.11Å; A83-S89 PolarHBondContact N-OG 2.86Å; A83-S89 PolarHBondContact O-OG 3.12Å; A83-N116 WeakPolarHBondContact CA-O 3.2Å; A83-K117 HydrophobicContact CB-CD 3.96Å; A83-K117 HydrophobicContact CB-CG 4.19Å |
| 84 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -16.6 | -176.4 | 61 | 138.2 | 0 | 0 | 0 | 113.8 | F82 N116 K117 R123 T124 V125 | F82-I84 HydrophobicContact CE2-CG2 4.08Å; F82-I84 HydrophobicContact CZ-CG2 4.5Å; I84-N116 WeakPolarHBondContact CG1-O 3.34Å; I84-N116 PolarHBondContact N-O 3.29Å; I84-K117 WeakPolarHBondContact CD1-O 3.43Å; I84-K117 HydrophobicContact CG1-CB 4.49Å; I84-K117 VanDerWaalsContact CG1-O 3.26Å; I84-K117 WeakPolarHBondContact CG1-O 3.32Å; I84-R123 HydrophobicContact CD1-CB 3.99Å; I84-R123 HydrophobicContact CD1-CG 4.12Å; I84-T124 PolarHBondContact O-N 3.36Å; I84-V125 PolarHBondContact O-N 2.96Å |
| 85 | N | 98.5 | Very high | 98.2 | Very high | 46 Ų | 46 | 33.4 Ų | 33.4 | 25% | 0.246 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 13.8 | 176.2 | 72.8 | -34.8 | 0 | 0 | 0 | 113.3 | A83 L120 S122 | A83-N85 WeakPolarHBondContact CB-OD1 3.21Å; A83-N85 PolarHBondContact O-N 3.43Å; N85-L120 WeakPolarHBondContact ND2-CD1 3.25Å; N85-S122 VanDerWaalsContact CA-O 3.3Å; N85-S122 WeakPolarHBondContact CA-O 3.35Å; N85-S122 WeakPolarHBondContact CB-O 3.3Å |
| 86 | N | 98.2 | Very high | 98.1 | Very high | 63 Ų | 63 | 33.8 Ų | 33.8 | 34% | 0.337 | 16% | 0.164 | S | C | . | . | trans | -140.5 | 96.3 | 179.3 | -179 | -15 | 0 | 0 | 0 | 110.6 | A83 K88 S89 F90 T124 | A83-N86 HydrophobicContact CB-CB 4.25Å; A83-N86 PolarHBondContact O-N 3.11Å; N86-K88 VanDerWaalsContact C-N 3.34Å; N86-K88 PolarHBondContact O-N 2.9Å; N86-K88 PolarHBondContact OD1-N 3.01Å; N86-S89 PolarHBondContact O-N 3.19Å; N86-S89 VanDerWaalsContact O-N 3.17Å; N86-S89 PolarHBondContact O-OG 3.36Å; N86-S89 PolarHBondContact OD1-N 2.9Å; N86-F90 PolarHBondContact O-N 3.35Å; N86-T124 PolarHBondContact N-OG1 2.84Å | ||
| 87 | T | 98.4 | Very high | 98.1 | Very high | 57 Ų | 57 | 32.8 Ų | 32.8 | 35% | 0.35 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -60.6 | -39.1 | -179 | -54.3 | 0 | 0 | 0 | 0 | 113 | S89 F90 E91 T124 | T87-S89 VanDerWaalsContact C-N 3.28Å; T87-S89 PolarHBondContact O-N 2.86Å; T87-F90 WeakPolarHBondContact O-CB 3.12Å; T87-F90 PolarHBondContact O-N 3.43Å; T87-E91 PolarHBondContact O-N 2.87Å; T87-T124 PolarHBondContact N-OG1 2.77Å; T87-T124 WeakPolarHBondContact OG1-CB 3.39Å; T87-T124 PolarHBondContact OG1-O 2.84Å; T87-T124 PolarHBondContact OG1-OG1 2.91Å |
| 88 | K | 98 | Very high | 98 | Very high | 103 Ų | 103 | 36 Ų | 36 | 45% | 0.448 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.9 | -40.4 | 176.8 | 179.5 | 59.4 | 168.2 | 70.6 | 0 | 111.7 | N86 F90 E91 D92 | N86-K88 VanDerWaalsContact C-N 3.34Å; N86-K88 PolarHBondContact O-N 2.9Å; N86-K88 PolarHBondContact OD1-N 3.01Å; K88-F90 PolarHBondContact O-N 2.99Å; K88-E91 PolarHBondContact O-N 2.69Å; K88-D92 IonicContact NZ-OD1 2.77Å; K88-D92 PolarHBondContact NZ-OD1 3.33Å; K88-D92 IonicContact NZ-OD2 3.66Å; K88-D92 PolarHBondContact NZ-OD2 3.01Å; K88-D92 VanDerWaalsContact O-CG 3.23Å; K88-D92 PolarHBondContact O-N 2.66Å |
| 89 | S | 98.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -28.2 | 177 | 76.6 | 0 | 0 | 0 | 0 | 113.4 | F82 A83 N86 T87 | F82-S89 WeakPolarHBondContact CB-O 3.21Å; A83-S89 PolarHBondContact N-OG 2.86Å; A83-S89 PolarHBondContact O-OG 3.12Å; N86-S89 PolarHBondContact O-N 3.19Å; N86-S89 VanDerWaalsContact O-N 3.17Å; N86-S89 PolarHBondContact O-OG 3.36Å; N86-S89 PolarHBondContact OD1-N 2.9Å; T87-S89 VanDerWaalsContact C-N 3.28Å; T87-S89 PolarHBondContact O-N 2.86Å |
| 90 | F | 98.7 | Very high | 97.8 | Very high | 29 Ų | 29 | 37.2 Ų | 37.2 | 13% | 0.127 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -75.5 | -41.9 | 174.8 | 176.7 | -110.1 | 0 | 0 | 0 | 111.8 | F82 N86 T87 K88 D92 I93 L113 V125 A130 L133 | F82-F90 HydrophobicContact CB-CB 4.33Å; F82-F90 AromaticContact CD1-CD2 3.87Å; F82-F90 HydrophobicContact CD1-CD2 3.87Å; F82-F90 HydrophobicContact CD2-CB 3.72Å; F82-F90 AromaticContact CD2-CD2 3.8Å; F82-F90 HydrophobicContact CD2-CD2 3.8Å; F82-F90 HydrophobicContact CD2-CG 4.19Å; F82-F90 AromaticContact CE1-CD2 3.76Å; F82-F90 HydrophobicContact CE1-CD2 3.76Å; F82-F90 HydrophobicContact CE1-CE2 4.14Å; F82-F90 HydrophobicContact CE2-CB 4.23Å; F82-F90 AromaticContact CE2-CD2 3.7Å; F82-F90 HydrophobicContact CE2-CD2 3.7Å; F82-F90 HydrophobicContact CE2-CE2 4.47Å; F82-F90 HydrophobicContact CE2-CG 4.28Å; F82-F90 HydrophobicContact CG-CB 4.07Å; F82-F90 AromaticContact CG-CD2 3.89Å; F82-F90 HydrophobicContact CG-CD2 3.89Å; F82-F90 HydrophobicContact CG-CG 4.49Å; F82-F90 AromaticContact CZ-CD2 3.68Å; F82-F90 HydrophobicContact CZ-CD2 3.68Å; F82-F90 HydrophobicContact CZ-CE2 4.08Å; N86-F90 PolarHBondContact O-N 3.35Å; T87-F90 WeakPolarHBondContact O-CB 3.12Å; T87-F90 PolarHBondContact O-N 3.43Å; K88-F90 PolarHBondContact O-N 2.99Å; F90-D92 VanDerWaalsContact C-N 3.29Å; F90-D92 PolarHBondContact O-N 2.74Å; F90-I93 VanDerWaalsContact O-CB 3.31Å; F90-I93 WeakPolarHBondContact O-CB 3.38Å; F90-I93 WeakPolarHBondContact O-CG1 3.33Å; F90-I93 PolarHBondContact O-N 3.07Å; F90-L113 HydrophobicContact CE2-CD2 4.48Å; F90-V125 HydrophobicContact CB-CG1 4.36Å; F90-V125 HydrophobicContact CB-CG2 3.82Å; F90-V125 HydrophobicContact CD1-CG1 3.9Å; F90-V125 HydrophobicContact CD1-CG2 4.38Å; F90-V125 HydrophobicContact CD2-CG1 3.95Å; F90-V125 HydrophobicContact CE1-CG1 4.12Å; F90-V125 HydrophobicContact CE2-CG1 4.17Å; F90-V125 HydrophobicContact CG-CG1 3.8Å; F90-V125 HydrophobicContact CG-CG2 4.14Å; F90-V125 HydrophobicContact CZ-CG1 4.24Å; F90-A130 HydrophobicContact CE2-CB 3.83Å; F90-A130 HydrophobicContact CZ-CB 4.32Å; F90-L133 HydrophobicContact CD2-CD2 4.29Å; F90-L133 HydrophobicContact CE1-CD2 4.29Å; F90-L133 HydrophobicContact CE2-CB 4.36Å; F90-L133 HydrophobicContact CE2-CD2 3.48Å; F90-L133 VanDerWaalsContact CE2-CD2 3.48Å; F90-L133 HydrophobicContact CZ-CB 3.94Å; F90-L133 HydrophobicContact CZ-CD2 3.48Å; F90-L133 VanDerWaalsContact CZ-CD2 3.48Å; F90-L133 HydrophobicContact CZ-CG 4.32Å |
| 91 | E | 98.1 | Very high | 97.8 | Very high | 115 Ų | 115 | 38.1 Ų | 38.1 | 54% | 0.537 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.1 | -40.6 | 173.9 | -67 | 167.5 | 176.4 | 0 | 0 | 111.5 | T87 K88 I93 H94 | T87-E91 PolarHBondContact O-N 2.87Å; K88-E91 PolarHBondContact O-N 2.69Å; E91-I93 PolarHBondContact O-N 3.44Å; E91-I93 VanDerWaalsContact O-N 3.13Å; E91-H94 PolarHBondContact O-N 3.33Å |
| 92 | D | 97.3 | Very high | 97.7 | Very high | 25 Ų | 25 | 45.9 Ų | 45.9 | 13% | 0.134 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19.6 | -179.2 | -73 | -23.4 | 0 | 0 | 0 | 114.2 | K88 F90 H94 H95 Y96 | K88-D92 IonicContact NZ-OD1 2.77Å; K88-D92 PolarHBondContact NZ-OD1 3.33Å; K88-D92 IonicContact NZ-OD2 3.66Å; K88-D92 PolarHBondContact NZ-OD2 3.01Å; K88-D92 VanDerWaalsContact O-CG 3.23Å; K88-D92 PolarHBondContact O-N 2.66Å; F90-D92 VanDerWaalsContact C-N 3.29Å; F90-D92 PolarHBondContact O-N 2.74Å; D92-H94 PolarHBondContact O-N 2.66Å; D92-H95 WeakPolarHBondContact O-CB 3.4Å; D92-H95 PolarHBondContact O-N 3.08Å; D92-H95 IonicContact OD1-CD2 3.92Å; D92-Y96 HydrophobicContact CB-CD2 4.48Å; D92-Y96 HydrophobicContact CB-CE2 4.24Å; D92-Y96 VanDerWaalsContact O-CD2 3.24Å; D92-Y96 WeakPolarHBondContact O-CD2 3.2Å; D92-Y96 PolarHBondContact O-N 2.89Å |
| 93 | I | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.3 | -35.4 | 175.9 | -65.4 | -55.2 | 0 | 0 | 0 | 111.5 | C80 F82 F90 E91 H95 Y96 R97 L113 L133 Y137 | C80-I93 HydrophobicContact CB-CD1 4.2Å; C80-I93 HydrophobicContact CB-CG2 4.38Å; F82-I93 HydrophobicContact CB-CD1 4.08Å; F82-I93 HydrophobicContact CB-CG1 4.07Å; F82-I93 HydrophobicContact CD1-CG1 4.33Å; F90-I93 VanDerWaalsContact O-CB 3.31Å; F90-I93 WeakPolarHBondContact O-CB 3.38Å; F90-I93 WeakPolarHBondContact O-CG1 3.33Å; F90-I93 PolarHBondContact O-N 3.07Å; E91-I93 PolarHBondContact O-N 3.44Å; E91-I93 VanDerWaalsContact O-N 3.13Å; I93-H95 VanDerWaalsContact C-N 3.33Å; I93-H95 PolarHBondContact O-N 3.39Å; I93-Y96 PolarHBondContact O-N 2.92Å; I93-R97 WeakPolarHBondContact O-CB 3.48Å; I93-R97 PolarHBondContact O-N 3.46Å; I93-L113 HydrophobicContact CB-CD1 4.47Å; I93-L113 HydrophobicContact CD1-CD1 4.33Å; I93-L113 HydrophobicContact CG1-CD1 4.03Å; I93-L113 HydrophobicContact CG2-CD1 3.7Å; I93-L133 HydrophobicContact CG2-CD2 4.48Å; I93-Y137 HydrophobicContact CG2-CE2 4.37Å |
| 94 | H | 97.6 | Very high | 97.4 | Very high | 86 Ų | 86 | 50.3 Ų | 50.3 | 40% | 0.398 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59 | -46 | 176.6 | -178.7 | 67 | 0 | 0 | 0 | 111.5 | E91 D92 R97 E98 Y137 | E91-H94 PolarHBondContact O-N 3.33Å; D92-H94 PolarHBondContact O-N 2.66Å; H94-R97 PolarHBondContact O-N 3.09Å; H94-E98 IonicContact CE1-OE1 3.82Å; H94-E98 PolarHBondContact O-N 2.7Å; H94-Y137 PolarHBondContact ND1-OH 3.41Å; H94-Y137 VanDerWaalsContact ND1-OH 3.09Å |
| 95 | H | 95.8 | Very high | 97.3 | Very high | 118 Ų | 118 | 57.6 Ų | 57.6 | 55% | 0.546 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64 | -43 | 178.9 | -62 | -53.4 | 0 | 0 | 0 | 112.3 | D92 I93 Q99 | D92-H95 WeakPolarHBondContact O-CB 3.4Å; D92-H95 PolarHBondContact O-N 3.08Å; D92-H95 IonicContact OD1-CD2 3.92Å; I93-H95 VanDerWaalsContact C-N 3.33Å; I93-H95 PolarHBondContact O-N 3.39Å; H95-Q99 WeakPolarHBondContact O-CB 3.21Å; H95-Q99 PolarHBondContact O-N 3.13Å |
| 96 | Y | 96.5 | Very high | 97.2 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 175.3 | -75.3 | -74.7 | 0 | 0 | 0 | 111.8 | V9 G10 R68 M72 D92 I93 Q99 I100 | V9-Y96 HydrophobicContact CB-CD1 3.9Å; V9-Y96 HydrophobicContact CB-CE1 4.31Å; V9-Y96 HydrophobicContact CG2-CD1 4.18Å; V9-Y96 HydrophobicContact CG2-CG 4.36Å; G10-Y96 VanDerWaalsContact C-CZ 3.47Å; G10-Y96 VanDerWaalsContact C-OH 3.29Å; G10-Y96 PolarHBondContact O-OH 3.35Å; R68-Y96 PolarHBondContact NH2-OH 3.44Å; R68-Y96 VanDerWaalsContact NH2-OH 3.16Å; M72-Y96 HydrophobicContact CE-CD1 4.25Å; D92-Y96 HydrophobicContact CB-CD2 4.48Å; D92-Y96 HydrophobicContact CB-CE2 4.24Å; D92-Y96 VanDerWaalsContact O-CD2 3.24Å; D92-Y96 WeakPolarHBondContact O-CD2 3.2Å; D92-Y96 PolarHBondContact O-N 2.89Å; I93-Y96 PolarHBondContact O-N 2.92Å; Y96-Q99 PolarHBondContact O-N 2.97Å; Y96-I100 WeakPolarHBondContact O-CD1 3.45Å; Y96-I100 VanDerWaalsContact O-CG1 3.25Å; Y96-I100 WeakPolarHBondContact O-CG1 3.32Å; Y96-I100 PolarHBondContact O-N 3.49Å |
| 97 | R | 97.3 | Very high | 97 | Very high | 35 Ų | 35 | 61.1 Ų | 61.1 | 13% | 0.132 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.7 | -51 | 178.9 | 179 | -178.9 | -178.1 | -88.5 | 4.7 | 111.9 | I93 H94 Q99 I100 K101 M111 Y137 | I93-R97 WeakPolarHBondContact O-CB 3.48Å; I93-R97 PolarHBondContact O-N 3.46Å; H94-R97 PolarHBondContact O-N 3.09Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 2.99Å; R97-I100 PolarHBondContact O-N 3.43Å; R97-K101 HydrophobicContact CG-CD 4.22Å; R97-K101 WeakPolarHBondContact O-CG 3.11Å; R97-K101 PolarHBondContact O-N 3.21Å; R97-M111 HydrophobicContact CG-CE 4.19Å; R97-M111 HydrophobicContact CG-SD 4.05Å; R97-Y137 VanDerWaalsContact NE-CD1 3.33Å |
| 98 | E | 96.8 | Very high | 96.8 | Very high | 66 Ų | 66 | 61.5 Ų | 61.5 | 31% | 0.308 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.1 | -36.6 | -178.6 | -67.1 | -46.8 | 120.1 | 0 | 0 | 111.7 | H94 K101 R102 | H94-E98 IonicContact CE1-OE1 3.82Å; H94-E98 PolarHBondContact O-N 2.7Å; E98-K101 PolarHBondContact O-N 3.24Å; E98-K101 IonicContact OE2-NZ 2.6Å; E98-K101 PolarHBondContact OE2-NZ 2.8Å; E98-R102 WeakPolarHBondContact O-CB 3.29Å; E98-R102 PolarHBondContact O-N 2.82Å |
| 99 | Q | 95.6 | Very high | 96.8 | Very high | 27 Ų | 27 | 57.4 Ų | 57.4 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 173.8 | -166.9 | 176.1 | 15.3 | 0 | 0 | 111.8 | R68 D69 M72 H95 Y96 R97 K101 R102 V103 | R68-Q99 VanDerWaalsContact CD-OE1 3.24Å; D69-Q99 PolarHBondContact OD1-NE2 2.93Å; M72-Q99 HydrophobicContact CE-CB 4.07Å; M72-Q99 HydrophobicContact CE-CG 3.99Å; M72-Q99 HydrophobicContact SD-CB 3.95Å; M72-Q99 HydrophobicContact SD-CG 3.55Å; M72-Q99 VanDerWaalsContact SD-CG 3.55Å; H95-Q99 WeakPolarHBondContact O-CB 3.21Å; H95-Q99 PolarHBondContact O-N 3.13Å; Y96-Q99 PolarHBondContact O-N 2.97Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 2.99Å; Q99-K101 PolarHBondContact O-N 3.38Å; Q99-R102 PolarHBondContact O-N 2.72Å; Q99-V103 HydrophobicContact CG-CG2 4.43Å; Q99-V103 VanDerWaalsContact O-CG2 3.27Å; Q99-V103 WeakPolarHBondContact O-CG2 3.3Å; Q99-V103 PolarHBondContact O-N 3.37Å |
| 100 | I | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.2 | -49.9 | 177 | -68.8 | 161.2 | 0 | 0 | 0 | 110.3 | V9 M72 F78 Y96 R97 R102 V103 K104 V109 M111 | V9-I100 HydrophobicContact CG2-CD1 4.06Å; M72-I100 HydrophobicContact CE-CG1 3.8Å; M72-I100 HydrophobicContact CG-CG1 3.92Å; M72-I100 HydrophobicContact SD-CB 4.36Å; M72-I100 HydrophobicContact SD-CG1 3.65Å; F78-I100 HydrophobicContact CB-CD1 3.8Å; F78-I100 HydrophobicContact CD1-CD1 3.71Å; F78-I100 HydrophobicContact CD1-CG1 3.99Å; F78-I100 HydrophobicContact CD1-CG2 4.46Å; F78-I100 HydrophobicContact CD2-CD1 4.23Å; F78-I100 HydrophobicContact CD2-CG2 3.63Å; F78-I100 HydrophobicContact CE1-CD1 4.45Å; F78-I100 HydrophobicContact CE1-CG1 4.24Å; F78-I100 HydrophobicContact CE1-CG2 4.4Å; F78-I100 HydrophobicContact CE2-CG2 3.55Å; F78-I100 HydrophobicContact CG-CD1 3.62Å; F78-I100 HydrophobicContact CG-CG1 4.18Å; F78-I100 HydrophobicContact CG-CG2 4.13Å; F78-I100 HydrophobicContact CZ-CG2 3.98Å; Y96-I100 WeakPolarHBondContact O-CD1 3.45Å; Y96-I100 VanDerWaalsContact O-CG1 3.25Å; Y96-I100 WeakPolarHBondContact O-CG1 3.32Å; Y96-I100 PolarHBondContact O-N 3.49Å; R97-I100 PolarHBondContact O-N 3.43Å; I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 3.11Å; I100-V103 PolarHBondContact O-N 2.95Å; I100-K104 HydrophobicContact CG2-CG 3.97Å; I100-K104 WeakPolarHBondContact O-CB 3.5Å; I100-K104 VanDerWaalsContact O-CG 3.3Å; I100-K104 WeakPolarHBondContact O-CG 3.48Å; I100-K104 PolarHBondContact O-N 3.34Å; I100-V109 HydrophobicContact CG2-CB 4.43Å; I100-V109 HydrophobicContact CG2-CG1 3.77Å; I100-M111 HydrophobicContact CB-CE 3.55Å; I100-M111 HydrophobicContact CD1-CE 3.83Å; I100-M111 HydrophobicContact CG1-CE 4.29Å; I100-M111 HydrophobicContact CG2-CE 3.27Å |
| 101 | K | 97.4 | Very high | 96.9 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 9% | 0.087 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.4 | -46.3 | 179.4 | -73.1 | 178.1 | 66 | -134.2 | 0 | 112 | R97 E98 Q99 K104 D105 S106 E107 | R97-K101 HydrophobicContact CG-CD 4.22Å; R97-K101 WeakPolarHBondContact O-CG 3.11Å; R97-K101 PolarHBondContact O-N 3.21Å; E98-K101 PolarHBondContact O-N 3.24Å; E98-K101 IonicContact OE2-NZ 2.6Å; E98-K101 PolarHBondContact OE2-NZ 2.8Å; Q99-K101 PolarHBondContact O-N 3.38Å; K101-K104 PolarHBondContact O-N 2.94Å; K101-D105 WeakPolarHBondContact O-CA 3.45Å; K101-D105 PolarHBondContact O-N 2.87Å; K101-S106 PolarHBondContact O-N 2.98Å; K101-E107 WeakPolarHBondContact CE-OE1 3.43Å; K101-E107 WeakPolarHBondContact CE-OE2 3.08Å; K101-E107 IonicContact NZ-OE1 3.11Å; K101-E107 PolarHBondContact NZ-OE1 2.95Å; K101-E107 IonicContact NZ-OE2 3.38Å; K101-E107 PolarHBondContact NZ-OE2 2.79Å |
| 102 | R | 96.8 | Very high | 96.9 | Very high | 163 Ų | 163 | 51.2 Ų | 51.2 | 62% | 0.615 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -59.6 | -46.8 | 176.9 | -175.6 | -174.3 | 71.6 | -164.4 | 3.8 | 111.9 | D69 E98 Q99 I100 D105 | D69-R102 IonicContact OD1-NH2 2.65Å; D69-R102 PolarHBondContact OD1-NH2 2.78Å; D69-R102 IonicContact OD2-NH2 3.54Å; E98-R102 WeakPolarHBondContact O-CB 3.29Å; E98-R102 PolarHBondContact O-N 2.82Å; Q99-R102 PolarHBondContact O-N 2.72Å; I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 3.11Å; R102-D105 PolarHBondContact O-N 2.9Å |
| 103 | V | 96.3 | Very high | 97 | Very high | 24 Ų | 24 | 50 Ų | 50 | 15% | 0.145 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.7 | -35 | -177.4 | 173.7 | 0 | 0 | 0 | 0 | 112.1 | D69 M72 R73 Q99 I100 D105 | D69-V103 HydrophobicContact CB-CG2 3.92Å; D69-V103 VanDerWaalsContact CG-CG2 3.47Å; D69-V103 WeakPolarHBondContact O-CG1 3.39Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.45Å; M72-V103 HydrophobicContact CB-CB 3.99Å; M72-V103 HydrophobicContact CB-CG1 3.72Å; M72-V103 HydrophobicContact CB-CG2 4.31Å; M72-V103 HydrophobicContact SD-CG2 4.39Å; R73-V103 HydrophobicContact CB-CG1 3.95Å; Q99-V103 HydrophobicContact CG-CG2 4.43Å; Q99-V103 VanDerWaalsContact O-CG2 3.27Å; Q99-V103 WeakPolarHBondContact O-CG2 3.3Å; Q99-V103 PolarHBondContact O-N 3.37Å; I100-V103 PolarHBondContact O-N 2.95Å; V103-D105 VanDerWaalsContact C-N 3.31Å |
| 104 | K | 96.5 | Very high | 97 | Very high | 70 Ų | 70 | 50 Ų | 50 | 30% | 0.304 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -79.7 | -12.9 | 176.1 | -63.6 | -54.1 | -57.3 | -167.9 | 0 | 113.4 | M72 R73 G75 F78 I100 K101 S106 V109 | M72-K104 WeakPolarHBondContact O-CD 3.39Å; R73-K104 PolarHBondContact O-NZ 3.29Å; G75-K104 PolarHBondContact O-NZ 3Å; F78-K104 HydrophobicContact CE2-CD 4.3Å; F78-K104 HydrophobicContact CE2-CG 4.35Å; F78-K104 HydrophobicContact CZ-CD 4.25Å; I100-K104 HydrophobicContact CG2-CG 3.97Å; I100-K104 WeakPolarHBondContact O-CB 3.5Å; I100-K104 VanDerWaalsContact O-CG 3.3Å; I100-K104 WeakPolarHBondContact O-CG 3.48Å; I100-K104 PolarHBondContact O-N 3.34Å; K101-K104 PolarHBondContact O-N 2.94Å; K104-S106 PolarHBondContact O-N 2.97Å; K104-V109 HydrophobicContact CB-CG2 3.75Å; K104-V109 HydrophobicContact CG-CG1 4.02Å; K104-V109 HydrophobicContact CG-CG2 3.95Å |
| 105 | D | 96.4 | Very high | 97.1 | Very high | 153 Ų | 153 | 45.9 Ų | 45.9 | 82% | 0.818 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 45.3 | -171.3 | -167 | 33.7 | 0 | 0 | 0 | 111.6 | K101 R102 V103 | K101-D105 WeakPolarHBondContact O-CA 3.45Å; K101-D105 PolarHBondContact O-N 2.87Å; R102-D105 PolarHBondContact O-N 2.9Å; V103-D105 VanDerWaalsContact C-N 3.31Å |
| 106 | S | 95.4 | Very high | 97.2 | Very high | 40 Ų | 40 | 40.4 Ų | 40.4 | 28% | 0.28 | 19% | 0.194 | S | C | . | . | trans | -149.7 | 138.9 | -176.8 | -176.1 | 0 | 0 | 0 | 0 | 112 | K101 K104 D108 V109 | K101-S106 PolarHBondContact O-N 2.98Å; K104-S106 PolarHBondContact O-N 2.97Å; S106-D108 PolarHBondContact OG-N 3.47Å; S106-D108 VanDerWaalsContact OG-N 3.12Å; S106-D108 PolarHBondContact OG-O 3.26Å; S106-V109 WeakPolarHBondContact O-CG2 3.22Å | ||
| 107 | E | 94.3 | Very high | 97.3 | Very high | 143 Ų | 143 | 42.9 Ų | 42.9 | 67% | 0.668 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -80.4 | -23 | 170.3 | -66.3 | -63 | 121.4 | 0 | 0 | 112.6 | K101 | K101-E107 WeakPolarHBondContact CE-OE1 3.43Å; K101-E107 WeakPolarHBondContact CE-OE2 3.08Å; K101-E107 IonicContact NZ-OE1 3.11Å; K101-E107 PolarHBondContact NZ-OE1 2.95Å; K101-E107 IonicContact NZ-OE2 3.38Å; K101-E107 PolarHBondContact NZ-OE2 2.79Å |
| 108 | D | 94.7 | Very high | 97.3 | Very high | 66 Ų | 66 | 42.3 Ų | 42.3 | 35% | 0.353 | 21% | 0.206 | S | C | . | . | trans | -109.9 | 93.7 | -178.9 | -169 | 13.1 | 0 | 0 | 0 | 107.8 | S106 H166 K169 | S106-D108 PolarHBondContact OG-N 3.47Å; S106-D108 VanDerWaalsContact OG-N 3.12Å; S106-D108 PolarHBondContact OG-O 3.26Å; D108-H166 PolarHBondContact O-NE2 3.41Å; D108-H166 VanDerWaalsContact O-NE2 3.13Å; D108-H166 IonicContact OD1-CD2 3.84Å; D108-H166 IonicContact OD2-CD2 3.33Å; D108-K169 IonicContact OD2-NZ 3.29Å; D108-K169 PolarHBondContact OD2-NZ 2.96Å | ||
| 109 | V | 98 | Very high | 97.4 | Very high | 16 Ų | 16 | 41.9 Ų | 41.9 | 10% | 0.097 | 21% | 0.206 | C | C | . | . | trans | -125.5 | 128.1 | 179.3 | -178.9 | 0 | 0 | 0 | 0 | 108 | F78 I100 K104 S106 M111 | F78-V109 HydrophobicContact CD2-CG1 3.75Å; F78-V109 HydrophobicContact CE2-CG1 3.67Å; I100-V109 HydrophobicContact CG2-CB 4.43Å; I100-V109 HydrophobicContact CG2-CG1 3.77Å; K104-V109 HydrophobicContact CB-CG2 3.75Å; K104-V109 HydrophobicContact CG-CG1 4.02Å; K104-V109 HydrophobicContact CG-CG2 3.95Å; S106-V109 WeakPolarHBondContact O-CG2 3.22Å; V109-M111 HydrophobicContact CB-CE 4.05Å; V109-M111 HydrophobicContact CG1-CE 4.15Å; V109-M111 WeakPolarHBondContact O-CG 3.28Å; V109-M111 PolarHBondContact O-N 3.27Å; V109-M111 VanDerWaalsContact O-N 3.16Å | ||
| 110 | P | 98.7 | Very high | 97.5 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | trans | -57.7 | 119.1 | 178 | -26.2 | 35.4 | 0 | 0 | 0 | 112.1 | G77 F78 L159 E162 I163 H166 | G77-P110 CarbonylContact C-O 3.57Å; G77-P110 WeakPolarHBondContact CA-O 3.42Å; F78-P110 PolarHBondContact N-O 2.89Å; P110-L159 HydrophobicContact CB-CD1 4.42Å; P110-E162 HydrophobicContact CB-CB 4.15Å; P110-I163 HydrophobicContact CB-CB 4.47Å; P110-I163 HydrophobicContact CB-CG1 3.68Å; P110-I163 HydrophobicContact CG-CB 4.47Å; P110-I163 HydrophobicContact CG-CG1 4.04Å; P110-H166 HydrophobicContact CG-CB 3.63Å | ||
| 111 | M | 98.8 | Very high | 97.4 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 155.9 | 178.7 | -63.4 | 174.2 | -179 | 0 | 0 | 110.6 | F78 R97 I100 V109 I139 P140 | F78-M111 HydrophobicContact CB-CG 4.19Å; F78-M111 CarbonylContact O-C 3.51Å; F78-M111 WeakPolarHBondContact O-CA 3.31Å; R97-M111 HydrophobicContact CG-CE 4.19Å; R97-M111 HydrophobicContact CG-SD 4.05Å; I100-M111 HydrophobicContact CB-CE 3.55Å; I100-M111 HydrophobicContact CD1-CE 3.83Å; I100-M111 HydrophobicContact CG1-CE 4.29Å; I100-M111 HydrophobicContact CG2-CE 3.27Å; V109-M111 HydrophobicContact CB-CE 4.05Å; V109-M111 HydrophobicContact CG1-CE 4.15Å; V109-M111 WeakPolarHBondContact O-CG 3.28Å; V109-M111 PolarHBondContact O-N 3.27Å; V109-M111 VanDerWaalsContact O-N 3.16Å; M111-I139 HydrophobicContact CB-CD1 4.13Å; M111-I139 HydrophobicContact CB-CG2 4.06Å; M111-P140 WeakPolarHBondContact O-CD 3.2Å |
| 112 | V | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 131 | 165.6 | 175.6 | 0 | 0 | 0 | 0 | 108.2 | F78 L79 C80 V114 P140 I142 T158 L159 E162 | F78-V112 PolarHBondContact O-N 2.91Å; L79-V112 HydrophobicContact CD2-CB 3.73Å; L79-V112 HydrophobicContact CD2-CG1 4.28Å; L79-V112 HydrophobicContact CD2-CG2 4.38Å; C80-V112 PolarHBondContact N-O 2.98Å; V112-V114 HydrophobicContact CG1-CG2 4.1Å; V112-P140 HydrophobicContact CG1-CB 4.31Å; V112-P140 HydrophobicContact CG2-CB 4.3Å; V112-P140 HydrophobicContact CG2-CG 4.27Å; V112-I142 HydrophobicContact CG1-CD1 4.26Å; V112-I142 HydrophobicContact CG1-CG1 4.44Å; V112-T158 HydrophobicContact CG2-CG2 3.92Å; V112-L159 HydrophobicContact CG2-CB 3.95Å; V112-L159 HydrophobicContact CG2-CD1 4.15Å; V112-E162 HydrophobicContact CG2-CG 4.48Å |
| 113 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 129.3 | 171.3 | -176.2 | 63.7 | 0 | 0 | 0 | 109.4 | C80 F82 F90 I93 A130 L133 A134 I139 P140 F141 I142 | C80-L113 HydrophobicContact CB-CD1 4.39Å; F82-L113 HydrophobicContact CD1-CD1 3.91Å; F82-L113 HydrophobicContact CD1-CG 4.38Å; F82-L113 HydrophobicContact CE1-CD1 4.03Å; F82-L113 HydrophobicContact CE1-CD2 4.28Å; F82-L113 HydrophobicContact CE1-CG 4Å; F90-L113 HydrophobicContact CE2-CD2 4.48Å; I93-L113 HydrophobicContact CB-CD1 4.47Å; I93-L113 HydrophobicContact CD1-CD1 4.33Å; I93-L113 HydrophobicContact CG1-CD1 4.03Å; I93-L113 HydrophobicContact CG2-CD1 3.7Å; L113-A130 HydrophobicContact CD2-CB 4.48Å; L113-A130 WeakPolarHBondContact CD2-O 3.34Å; L113-L133 HydrophobicContact CD2-CD2 4.32Å; L113-A134 HydrophobicContact CB-CB 4.23Å; L113-A134 HydrophobicContact CD2-CB 3.91Å; L113-I139 HydrophobicContact CB-CD1 3.99Å; L113-I139 HydrophobicContact CB-CG1 4.45Å; L113-P140 PolarHBondContact N-O 3.34Å; L113-F141 HydrophobicContact CB-CD2 4.08Å; L113-F141 HydrophobicContact CD2-CD2 3.86Å; L113-F141 HydrophobicContact CD2-CE2 4.44Å; L113-F141 HydrophobicContact CG-CD2 3.81Å; L113-F141 HydrophobicContact CG-CE2 4.4Å; L113-F141 WeakPolarHBondContact O-CA 3.47Å; L113-F141 WeakPolarHBondContact O-CD2 3.33Å; L113-I142 PolarHBondContact O-N 2.99Å |
| 114 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 115.8 | -176.7 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | L19 L79 C80 V81 F82 V112 I142 T144 A155 | L19-V114 HydrophobicContact CD1-CG1 4.02Å; L79-V114 HydrophobicContact CB-CG2 4.39Å; L79-V114 HydrophobicContact CD2-CG2 4.01Å; C80-V114 PolarHBondContact O-N 3.35Å; V81-V114 WeakPolarHBondContact CA-O 3.49Å; V81-V114 HydrophobicContact CB-CB 4.48Å; V81-V114 HydrophobicContact CG1-CB 4.42Å; V81-V114 HydrophobicContact CG1-CG1 4.27Å; V81-V114 HydrophobicContact CG2-CB 4.15Å; V81-V114 HydrophobicContact CG2-CG1 4.49Å; F82-V114 WeakPolarHBondContact CD1-O 3.42Å; F82-V114 PolarHBondContact N-O 2.84Å; V112-V114 HydrophobicContact CG1-CG2 4.1Å; V114-I142 WeakPolarHBondContact CA-O 3.48Å; V114-T144 HydrophobicContact CG1-CG2 3.69Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.35Å; V114-A155 HydrophobicContact CG2-CB 4.08Å |
| 115 | G | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 92.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | F82 I142 E143 T144 | F82-G115 VanDerWaalsContact CE1-CA 3.42Å; F82-G115 VanDerWaalsContact CZ-CA 3.47Å; G115-I142 PolarHBondContact N-O 3.12Å; G115-E143 CarbonylContact O-C 3.59Å; G115-E143 WeakPolarHBondContact O-CA 3.48Å; G115-T144 PolarHBondContact O-N 3.19Å |
| 116 | N | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 167 | -176.7 | -168.1 | 28.8 | 0 | 0 | 0 | 112.4 | V14 L19 V81 F82 A83 I84 T144 A146 | V14-N116 PolarHBondContact O-ND2 3.44Å; L19-N116 HydrophobicContact CD1-CB 4.28Å; V81-N116 HydrophobicContact CG1-CB 3.94Å; F82-N116 PolarHBondContact O-N 3.43Å; A83-N116 WeakPolarHBondContact CA-O 3.2Å; I84-N116 WeakPolarHBondContact CG1-O 3.34Å; I84-N116 PolarHBondContact N-O 3.29Å; N116-T144 CarbonylContact C-O 3.58Å; N116-T144 VanDerWaalsContact C-O 3.31Å; N116-T144 VanDerWaalsContact CA-O 3.27Å; N116-T144 WeakPolarHBondContact CA-O 3.34Å; N116-T144 WeakPolarHBondContact CA-OG1 3.38Å; N116-T144 PolarHBondContact OD1-O 2.94Å; N116-T144 PolarHBondContact OD1-OG1 2.93Å; N116-A146 PolarHBondContact OD1-N 2.82Å |
| 117 | K | 98.2 | Very high | 97.8 | Very high | 60 Ų | 60 | 44.5 Ų | 44.5 | 26% | 0.261 | 24% | 0.244 | S | C | . | . | trans | 67.3 | 32.3 | -179.1 | -44.7 | -168.3 | -173.3 | -175.3 | 0 | 113.3 | G13 A83 I84 D119 L120 T144 | G13-K117 VanDerWaalsContact O-CE 3.28Å; G13-K117 WeakPolarHBondContact O-CE 3.31Å; G13-K117 PolarHBondContact O-NZ 3.22Å; A83-K117 HydrophobicContact CB-CD 3.96Å; A83-K117 HydrophobicContact CB-CG 4.19Å; I84-K117 WeakPolarHBondContact CD1-O 3.43Å; I84-K117 HydrophobicContact CG1-CB 4.49Å; I84-K117 VanDerWaalsContact CG1-O 3.26Å; I84-K117 WeakPolarHBondContact CG1-O 3.32Å; K117-D119 PolarHBondContact O-N 3.05Å; K117-L120 HydrophobicContact CB-CD1 3.83Å; K117-L120 HydrophobicContact CB-CG 4.12Å; K117-L120 HydrophobicContact CD-CD1 3.88Å; K117-L120 HydrophobicContact CG-CD1 4.45Å; K117-L120 PolarHBondContact O-N 3.25Å; K117-T144 PolarHBondContact N-O 3.01Å | ||
| 118 | C | 98.4 | Very high | 98 | Very high | 23 Ų | 23 | 44.7 Ų | 44.7 | 16% | 0.155 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -11 | 179.2 | 72.7 | 0 | 0 | 0 | 0 | 113.9 | E143 T144 Q150 | C118-E143 HydrophobicContact CB-CB 4.13Å; C118-T144 PolarHBondContact N-O 3.32Å; C118-T144 PolarHBondContact SG-O 2.97Å; C118-Q150 PolarHBondContact SG-NE2 3.5Å |
| 119 | D | 98 | Very high | 98.2 | Very high | 57 Ų | 57 | 46.3 Ų | 46.3 | 31% | 0.305 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -16.4 | 172.5 | 59.6 | -75.7 | 0 | 0 | 0 | 114.3 | K117 S145 K147 T148 | K117-D119 PolarHBondContact O-N 3.05Å; D119-S145 WeakPolarHBondContact OD1-CB 3.24Å; D119-S145 PolarHBondContact OD1-OG 2.93Å; D119-K147 WeakPolarHBondContact OD2-CD 3.47Å; D119-T148 HydrophobicContact CB-CG2 4.13Å |
| 120 | L | 96.9 | Very high | 98.2 | Very high | 60 Ų | 60 | 45.6 Ų | 45.6 | 31% | 0.314 | 24% | 0.243 | S | C | . | . | trans | -82.3 | 139.6 | -177.6 | -64.4 | -178 | 0 | 0 | 0 | 111.9 | N85 K117 S122 | N85-L120 WeakPolarHBondContact ND2-CD1 3.25Å; K117-L120 HydrophobicContact CB-CD1 3.83Å; K117-L120 HydrophobicContact CB-CG 4.12Å; K117-L120 HydrophobicContact CD-CD1 3.88Å; K117-L120 HydrophobicContact CG-CD1 4.45Å; K117-L120 PolarHBondContact O-N 3.25Å; L120-S122 VanDerWaalsContact C-N 3.28Å; L120-S122 PolarHBondContact O-N 2.94Å | ||
| 121 | P | 96.3 | Very high | 98.2 | Very high | 131 Ų | 131 | 49.4 Ų | 49.4 | 85% | 0.851 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -73.5 | -19.8 | 178.1 | 30.1 | -35.5 | 0 | 0 | 0 | 113.2 | R123 | P121-R123 PolarHBondContact O-N 3.21Š|
| 122 | S | 96.5 | Very high | 98.2 | Very high | 65 Ų | 65 | 52.2 Ų | 52.2 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | trans | -82.2 | 43.3 | -175.5 | 49.9 | 0 | 0 | 0 | 0 | 113.6 | N85 L120 T124 | N85-S122 VanDerWaalsContact CA-O 3.3Å; N85-S122 WeakPolarHBondContact CA-O 3.35Å; N85-S122 WeakPolarHBondContact CB-O 3.3Å; L120-S122 VanDerWaalsContact C-N 3.28Å; L120-S122 PolarHBondContact O-N 2.94Å; S122-T124 PolarHBondContact O-N 2.87Å | ||
| 123 | R | 98.2 | Very high | 98.1 | Very high | 79 Ų | 79 | 54 Ų | 54 | 30% | 0.298 | 29% | 0.285 | S | S | . | . | trans | -60.3 | 128.7 | 177.1 | -179.4 | 178.8 | -71 | -94.1 | 9.5 | 110.7 | I84 P121 V125 T127 E143 | I84-R123 HydrophobicContact CD1-CB 3.99Å; I84-R123 HydrophobicContact CD1-CG 4.12Å; P121-R123 PolarHBondContact O-N 3.21Å; R123-V125 VanDerWaalsContact CD-O 3.32Å; R123-V125 WeakPolarHBondContact CD-O 3.21Å; R123-V125 WeakPolarHBondContact CG-O 3.27Å; R123-V125 PolarHBondContact NH1-O 3.42Å; R123-T127 PolarHBondContact NH1-OG1 2.89Å; R123-E143 IonicContact CZ-OE1 3.85Å; R123-E143 IonicContact CZ-OE2 2.78Å; R123-E143 IonicContact NH1-OE1 3.5Å; R123-E143 PolarHBondContact NH1-OE1 3.45Å; R123-E143 IonicContact NH1-OE2 3.85Å; R123-E143 VanDerWaalsContact NH2-CD 3.32Å; R123-E143 IonicContact NH2-OE1 2.89Å; R123-E143 PolarHBondContact NH2-OE1 3.49Å; R123-E143 VanDerWaalsContact NH2-OE1 3.11Å; R123-E143 IonicContact NH2-OE2 3.02Å; R123-E143 PolarHBondContact NH2-OE2 2.85Å | ||
| 124 | T | 98.3 | Very high | 98.1 | Very high | 70 Ų | 70 | 54.1 Ų | 54.1 | 43% | 0.429 | 29% | 0.286 | S | S | . | . | trans | -118.6 | -10.2 | 173 | 68.1 | 0 | 0 | 0 | 0 | 113 | I84 N86 T87 S122 | I84-T124 PolarHBondContact O-N 3.36Å; N86-T124 PolarHBondContact N-OG1 2.84Å; T87-T124 PolarHBondContact N-OG1 2.77Å; T87-T124 WeakPolarHBondContact OG1-CB 3.39Å; T87-T124 PolarHBondContact OG1-O 2.84Å; T87-T124 PolarHBondContact OG1-OG1 2.91Å; S122-T124 PolarHBondContact O-N 2.87Å | ||
| 125 | V | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -117.7 | 118.7 | 175.9 | -177 | 0 | 0 | 0 | 0 | 109.3 | F82 I84 F90 R123 | F82-V125 HydrophobicContact CE2-CB 4.07Å; F82-V125 HydrophobicContact CE2-CG1 3.85Å; F82-V125 HydrophobicContact CE2-CG2 4.33Å; F82-V125 HydrophobicContact CZ-CG1 4.33Å; I84-V125 PolarHBondContact O-N 2.96Å; F90-V125 HydrophobicContact CB-CG1 4.36Å; F90-V125 HydrophobicContact CB-CG2 3.82Å; F90-V125 HydrophobicContact CD1-CG1 3.9Å; F90-V125 HydrophobicContact CD1-CG2 4.38Å; F90-V125 HydrophobicContact CD2-CG1 3.95Å; F90-V125 HydrophobicContact CE1-CG1 4.12Å; F90-V125 HydrophobicContact CE2-CG1 4.17Å; F90-V125 HydrophobicContact CG-CG1 3.8Å; F90-V125 HydrophobicContact CG-CG2 4.14Å; F90-V125 HydrophobicContact CZ-CG1 4.24Å; R123-V125 VanDerWaalsContact CD-O 3.32Å; R123-V125 WeakPolarHBondContact CD-O 3.21Å; R123-V125 WeakPolarHBondContact CG-O 3.27Å; R123-V125 PolarHBondContact NH1-O 3.42Å |
| 126 | D | 97.9 | Very high | 98.1 | Very high | 98 Ų | 98 | 66.5 Ų | 66.5 | 52% | 0.524 | 35% | 0.345 | S | S | . | . | trans | -70.3 | 139.7 | 179.1 | -71.8 | -29 | 0 | 0 | 0 | 110.9 | K128 Q129 A130 | D126-K128 PolarHBondContact O-N 2.8Å; D126-K128 VanDerWaalsContact O-N 3.13Å; D126-Q129 HydrophobicContact CB-CB 4.44Å; D126-Q129 HydrophobicContact CB-CG 4.05Å; D126-Q129 WeakPolarHBondContact O-CB 3.33Å; D126-Q129 PolarHBondContact O-N 2.92Å; D126-A130 PolarHBondContact O-N 3.15Å | ||
| 127 | T | 98.1 | Very high | 98 | Very high | 48 Ų | 48 | 68.2 Ų | 68.2 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -52.7 | -38.4 | 176 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | R123 A130 Q131 F141 E143 | R123-T127 PolarHBondContact NH1-OG1 2.89Å; T127-A130 PolarHBondContact O-N 3.47Å; T127-Q131 HydrophobicContact CG2-CG 4.42Å; T127-Q131 WeakPolarHBondContact O-CB 3.44Å; T127-Q131 VanDerWaalsContact O-CG 3.27Å; T127-Q131 WeakPolarHBondContact O-CG 3.2Å; T127-Q131 PolarHBondContact O-N 3.4Å; T127-F141 HydrophobicContact CG2-CE1 4.04Å; T127-E143 WeakPolarHBondContact CB-OE1 3.42Å; T127-E143 PolarHBondContact OG1-OE1 3.46Å |
| 128 | K | 98.3 | Very high | 98 | Very high | 147 Ų | 147 | 68.4 Ų | 68.4 | 64% | 0.639 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.6 | -42.2 | 177.7 | -173.2 | 179 | 177.6 | -174.5 | 0 | 112.3 | D126 A130 Q131 D132 | D126-K128 PolarHBondContact O-N 2.8Å; D126-K128 VanDerWaalsContact O-N 3.13Å; K128-A130 VanDerWaalsContact C-N 3.33Å; K128-A130 PolarHBondContact O-N 3.02Å; K128-Q131 PolarHBondContact O-N 2.89Å; K128-D132 WeakPolarHBondContact O-CB 3.4Å; K128-D132 PolarHBondContact O-N 2.78Å |
| 129 | Q | 98 | Very high | 98 | Very high | 100 Ų | 100 | 68.6 Ų | 68.6 | 47% | 0.467 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 177.5 | -68.9 | 174.3 | -49.3 | 0 | 0 | 110.9 | D126 D132 L133 | D126-Q129 HydrophobicContact CB-CB 4.44Å; D126-Q129 HydrophobicContact CB-CG 4.05Å; D126-Q129 WeakPolarHBondContact O-CB 3.33Å; D126-Q129 PolarHBondContact O-N 2.92Å; Q129-D132 PolarHBondContact O-N 3.21Å; Q129-L133 WeakPolarHBondContact O-CB 3.38Å; Q129-L133 PolarHBondContact O-N 2.98Å |
| 130 | A | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.008 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.6 | -39 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | F82 F90 L113 D126 T127 K128 L133 A134 F141 | F82-A130 HydrophobicContact CE1-CB 4.25Å; F82-A130 HydrophobicContact CZ-CB 3.74Å; F90-A130 HydrophobicContact CE2-CB 3.83Å; F90-A130 HydrophobicContact CZ-CB 4.32Å; L113-A130 HydrophobicContact CD2-CB 4.48Å; L113-A130 WeakPolarHBondContact CD2-O 3.34Å; D126-A130 PolarHBondContact O-N 3.15Å; T127-A130 PolarHBondContact O-N 3.47Å; K128-A130 VanDerWaalsContact C-N 3.33Å; K128-A130 PolarHBondContact O-N 3.02Å; A130-L133 PolarHBondContact O-N 3.09Å; A130-A134 WeakPolarHBondContact O-CB 3.26Å; A130-A134 PolarHBondContact O-N 2.76Å; A130-F141 HydrophobicContact CB-CD2 4.17Å; A130-F141 HydrophobicContact CB-CE1 3.95Å; A130-F141 HydrophobicContact CB-CE2 3.57Å; A130-F141 HydrophobicContact CB-CZ 3.42Å; A130-F141 VanDerWaalsContact CB-CZ 3.42Å |
| 131 | Q | 98.6 | Very high | 98.2 | Very high | 89 Ų | 89 | 66.6 Ų | 66.6 | 42% | 0.416 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 173.6 | -76.3 | 173.1 | -16.8 | 0 | 0 | 112.4 | T127 K128 L133 A134 R135 F141 | T127-Q131 HydrophobicContact CG2-CG 4.42Å; T127-Q131 WeakPolarHBondContact O-CB 3.44Å; T127-Q131 VanDerWaalsContact O-CG 3.27Å; T127-Q131 WeakPolarHBondContact O-CG 3.2Å; T127-Q131 PolarHBondContact O-N 3.4Å; K128-Q131 PolarHBondContact O-N 2.89Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; Q131-A134 PolarHBondContact O-N 3.31Å; Q131-R135 WeakPolarHBondContact O-CB 3.27Å; Q131-R135 PolarHBondContact O-N 3.08Å; Q131-F141 HydrophobicContact CB-CD1 4.46Å; Q131-F141 HydrophobicContact CG-CD1 3.49Å; Q131-F141 VanDerWaalsContact CG-CD1 3.49Å; Q131-F141 HydrophobicContact CG-CE1 3.89Å |
| 132 | D | 98.7 | Very high | 98.3 | Very high | 65 Ų | 65 | 61.7 Ų | 61.7 | 35% | 0.348 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.6 | -39 | 178.8 | -72.5 | -25.3 | 0 | 0 | 0 | 110.8 | K128 Q129 R135 S136 | K128-D132 WeakPolarHBondContact O-CB 3.4Å; K128-D132 PolarHBondContact O-N 2.78Å; Q129-D132 PolarHBondContact O-N 3.21Å; D132-R135 PolarHBondContact O-N 3.2Å; D132-R135 IonicContact OD1-CZ 3.73Å; D132-R135 IonicContact OD1-NH1 3.41Å; D132-R135 PolarHBondContact OD1-NH1 2.94Å; D132-R135 IonicContact OD1-NH2 2.69Å; D132-S136 PolarHBondContact O-N 3Å |
| 133 | L | 98.5 | Very high | 98.4 | Very high | 37 Ų | 37 | 60.4 Ų | 60.4 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.3 | -51.1 | 172.5 | -175.3 | 66.7 | 0 | 0 | 0 | 111.7 | F90 I93 L113 Q129 A130 Q131 R135 S136 Y137 | F90-L133 HydrophobicContact CD2-CD2 4.29Å; F90-L133 HydrophobicContact CE1-CD2 4.29Å; F90-L133 HydrophobicContact CE2-CB 4.36Å; F90-L133 HydrophobicContact CE2-CD2 3.48Å; F90-L133 VanDerWaalsContact CE2-CD2 3.48Å; F90-L133 HydrophobicContact CZ-CB 3.94Å; F90-L133 HydrophobicContact CZ-CD2 3.48Å; F90-L133 VanDerWaalsContact CZ-CD2 3.48Å; F90-L133 HydrophobicContact CZ-CG 4.32Å; I93-L133 HydrophobicContact CG2-CD2 4.48Å; L113-L133 HydrophobicContact CD2-CD2 4.32Å; Q129-L133 WeakPolarHBondContact O-CB 3.38Å; Q129-L133 PolarHBondContact O-N 2.98Å; A130-L133 PolarHBondContact O-N 3.09Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 3.04Å; L133-S136 WeakPolarHBondContact O-CB 3.45Å; L133-S136 PolarHBondContact O-N 3.41Å; L133-S136 VanDerWaalsContact O-N 3.08Å; L133-S136 PolarHBondContact O-OG 3.22Å; L133-Y137 HydrophobicContact CD1-CD2 4.34Å; L133-Y137 HydrophobicContact CD1-CE1 4.32Å; L133-Y137 HydrophobicContact CD1-CE2 3.65Å; L133-Y137 HydrophobicContact CD2-CE2 4.08Å; L133-Y137 HydrophobicContact CG-CD2 4.13Å; L133-Y137 HydrophobicContact CG-CE2 3.69Å; L133-Y137 PolarHBondContact O-N 3.48Å; L133-Y137 VanDerWaalsContact O-N 3.09Å |
| 134 | A | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 2% | 0.017 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L113 A130 Q131 S136 Y137 G138 I139 F141 | L113-A134 HydrophobicContact CB-CB 4.23Å; L113-A134 HydrophobicContact CD2-CB 3.91Å; A130-A134 WeakPolarHBondContact O-CB 3.26Å; A130-A134 PolarHBondContact O-N 2.76Å; Q131-A134 PolarHBondContact O-N 3.31Å; A134-S136 VanDerWaalsContact C-N 3.35Å; A134-S136 PolarHBondContact O-N 2.97Å; A134-Y137 CarbonylContact O-C 3.58Å; A134-Y137 PolarHBondContact O-N 3.31Å; A134-G138 PolarHBondContact O-N 2.96Å; A134-I139 HydrophobicContact CB-CG1 4.17Å; A134-I139 WeakPolarHBondContact CB-O 3.4Å; A134-I139 PolarHBondContact O-N 3.36Å; A134-F141 HydrophobicContact CB-CB 3.61Å |
| 135 | R | 98.4 | Very high | 98.4 | Very high | 175 Ų | 175 | 53.3 Ų | 53.3 | 66% | 0.66 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.6 | -42.6 | 173.8 | -167.6 | -172.4 | -61.2 | 128.9 | 7 | 111.4 | Q131 D132 L133 Y137 G138 | Q131-R135 WeakPolarHBondContact O-CB 3.27Å; Q131-R135 PolarHBondContact O-N 3.08Å; D132-R135 PolarHBondContact O-N 3.2Å; D132-R135 IonicContact OD1-CZ 3.73Å; D132-R135 IonicContact OD1-NH1 3.41Å; D132-R135 PolarHBondContact OD1-NH1 2.94Å; D132-R135 IonicContact OD1-NH2 2.69Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 3.04Å; R135-Y137 PolarHBondContact O-N 3.46Å; R135-G138 PolarHBondContact O-N 3.37Å; R135-G138 VanDerWaalsContact O-N 3.1Å |
| 136 | S | 98.1 | Very high | 98.4 | Very high | 85 Ų | 85 | 53.4 Ų | 53.4 | 59% | 0.594 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.9 | -30.8 | 177.5 | 81 | 0 | 0 | 0 | 0 | 112.9 | D132 L133 A134 | D132-S136 PolarHBondContact O-N 3Å; L133-S136 WeakPolarHBondContact O-CB 3.45Å; L133-S136 PolarHBondContact O-N 3.41Å; L133-S136 VanDerWaalsContact O-N 3.08Å; L133-S136 PolarHBondContact O-OG 3.22Å; A134-S136 VanDerWaalsContact C-N 3.35Å; A134-S136 PolarHBondContact O-N 2.97Å |
| 137 | Y | 98 | Very high | 98.4 | Very high | 40 Ų | 40 | 54.4 Ų | 54.4 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -86.7 | -11.8 | 174.8 | -65.5 | -24.5 | 0 | 0 | 0 | 114.3 | I93 H94 R97 L133 A134 R135 I139 | I93-Y137 HydrophobicContact CG2-CE2 4.37Å; H94-Y137 PolarHBondContact ND1-OH 3.41Å; H94-Y137 VanDerWaalsContact ND1-OH 3.09Å; R97-Y137 VanDerWaalsContact NE-CD1 3.33Å; L133-Y137 HydrophobicContact CD1-CD2 4.34Å; L133-Y137 HydrophobicContact CD1-CE1 4.32Å; L133-Y137 HydrophobicContact CD1-CE2 3.65Å; L133-Y137 HydrophobicContact CD2-CE2 4.08Å; L133-Y137 HydrophobicContact CG-CD2 4.13Å; L133-Y137 HydrophobicContact CG-CE2 3.69Å; L133-Y137 PolarHBondContact O-N 3.48Å; L133-Y137 VanDerWaalsContact O-N 3.09Å; A134-Y137 CarbonylContact O-C 3.58Å; A134-Y137 PolarHBondContact O-N 3.31Å; R135-Y137 PolarHBondContact O-N 3.46Å; Y137-I139 HydrophobicContact CD2-CD1 4.32Å |
| 138 | G | 98 | Very high | 98.4 | Very high | 64 Ų | 64 | 56.1 Ų | 56.1 | 66% | 0.66 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 29 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | A134 R135 | A134-G138 PolarHBondContact O-N 2.96Å; R135-G138 PolarHBondContact O-N 3.37Å; R135-G138 VanDerWaalsContact O-N 3.1Å |
| 139 | I | 98.7 | Very high | 98.4 | Very high | 27 Ų | 27 | 52.2 Ų | 52.2 | 14% | 0.138 | 27% | 0.271 | C | S | . | . | trans | -121.6 | 155.7 | -175 | 68.2 | 178.2 | 0 | 0 | 0 | 111.6 | M111 L113 A134 Y137 | M111-I139 HydrophobicContact CB-CD1 4.13Å; M111-I139 HydrophobicContact CB-CG2 4.06Å; L113-I139 HydrophobicContact CB-CD1 3.99Å; L113-I139 HydrophobicContact CB-CG1 4.45Å; A134-I139 HydrophobicContact CB-CG1 4.17Å; A134-I139 WeakPolarHBondContact CB-O 3.4Å; A134-I139 PolarHBondContact O-N 3.36Å; Y137-I139 HydrophobicContact CD2-CD1 4.32Å | ||
| 140 | P | 98.8 | Very high | 98.4 | Very high | 35 Ų | 35 | 52.5 Ų | 52.5 | 23% | 0.227 | 27% | 0.272 | C | S | . | . | trans | -64.3 | 151.1 | 172.2 | -21 | 34 | 0 | 0 | 0 | 112.4 | M111 V112 L113 T158 E162 | M111-P140 WeakPolarHBondContact O-CD 3.2Å; V112-P140 HydrophobicContact CG1-CB 4.31Å; V112-P140 HydrophobicContact CG2-CB 4.3Å; V112-P140 HydrophobicContact CG2-CG 4.27Å; L113-P140 PolarHBondContact N-O 3.34Å; P140-T158 HydrophobicContact CB-CG2 3.71Å; P140-T158 HydrophobicContact CG-CG2 3.74Å; P140-E162 HydrophobicContact CG-CG 3.86Å | ||
| 141 | F | 98.8 | Very high | 98.4 | Very high | 39 Ų | 39 | 53.1 Ų | 53.1 | 17% | 0.171 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.9 | 170.6 | 170.7 | -116.6 | 0 | 0 | 0 | 110.4 | F82 L113 T127 A130 Q131 A134 E143 | F82-F141 AromaticContact CE1-CE2 3.94Å; F82-F141 HydrophobicContact CE1-CE2 3.94Å; F82-F141 HydrophobicContact CZ-CE2 4.05Å; L113-F141 HydrophobicContact CB-CD2 4.08Å; L113-F141 HydrophobicContact CD2-CD2 3.86Å; L113-F141 HydrophobicContact CD2-CE2 4.44Å; L113-F141 HydrophobicContact CG-CD2 3.81Å; L113-F141 HydrophobicContact CG-CE2 4.4Å; L113-F141 WeakPolarHBondContact O-CA 3.47Å; L113-F141 WeakPolarHBondContact O-CD2 3.33Å; T127-F141 HydrophobicContact CG2-CE1 4.04Å; A130-F141 HydrophobicContact CB-CD2 4.17Å; A130-F141 HydrophobicContact CB-CE1 3.95Å; A130-F141 HydrophobicContact CB-CE2 3.57Å; A130-F141 HydrophobicContact CB-CZ 3.42Å; A130-F141 VanDerWaalsContact CB-CZ 3.42Å; Q131-F141 HydrophobicContact CB-CD1 4.46Å; Q131-F141 HydrophobicContact CG-CD1 3.49Å; Q131-F141 VanDerWaalsContact CG-CD1 3.49Å; Q131-F141 HydrophobicContact CG-CE1 3.89Å; A134-F141 HydrophobicContact CB-CB 3.61Å; F141-E143 HydrophobicContact CE1-CG 3.74Å; F141-E143 HydrophobicContact CE2-CG 4.28Å; F141-E143 HydrophobicContact CZ-CG 3.38Å |
| 142 | I | 98.8 | Very high | 98.4 | Very high | 28 Ų | 28 | 48.9 Ų | 48.9 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 126.8 | 178.1 | -62.8 | 173.6 | 0 | 0 | 0 | 108.6 | V112 L113 V114 G115 T144 D154 T158 | V112-I142 HydrophobicContact CG1-CD1 4.26Å; V112-I142 HydrophobicContact CG1-CG1 4.44Å; L113-I142 PolarHBondContact O-N 2.99Å; V114-I142 WeakPolarHBondContact CA-O 3.48Å; G115-I142 PolarHBondContact N-O 3.12Å; I142-T144 HydrophobicContact CG2-CG2 3.83Å; I142-D154 HydrophobicContact CD1-CB 4.28Å; I142-D154 WeakPolarHBondContact CD1-O 3.38Å; I142-T158 HydrophobicContact CD1-CG2 4.16Å; I142-T158 WeakPolarHBondContact CD1-OG1 3.23Å |
| 143 | E | 98.8 | Very high | 98.4 | Very high | 38 Ų | 38 | 47.5 Ų | 47.5 | 18% | 0.178 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 136.5 | 166.3 | -70.5 | -162.6 | 165.4 | 0 | 0 | 110 | G115 C118 R123 T127 F141 | G115-E143 CarbonylContact O-C 3.59Å; G115-E143 WeakPolarHBondContact O-CA 3.48Å; C118-E143 HydrophobicContact CB-CB 4.13Å; R123-E143 IonicContact CZ-OE1 3.85Å; R123-E143 IonicContact CZ-OE2 2.78Å; R123-E143 IonicContact NH1-OE1 3.5Å; R123-E143 PolarHBondContact NH1-OE1 3.45Å; R123-E143 IonicContact NH1-OE2 3.85Å; R123-E143 VanDerWaalsContact NH2-CD 3.32Å; R123-E143 IonicContact NH2-OE1 2.89Å; R123-E143 PolarHBondContact NH2-OE1 3.49Å; R123-E143 VanDerWaalsContact NH2-OE1 3.11Å; R123-E143 IonicContact NH2-OE2 3.02Å; R123-E143 PolarHBondContact NH2-OE2 2.85Å; T127-E143 WeakPolarHBondContact CB-OE1 3.42Å; T127-E143 PolarHBondContact OG1-OE1 3.46Å; F141-E143 HydrophobicContact CE1-CG 3.74Å; F141-E143 HydrophobicContact CE2-CG 4.28Å; F141-E143 HydrophobicContact CZ-CG 3.38Å |
| 144 | T | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -132.3 | 156.5 | -176.3 | 61.3 | 0 | 0 | 0 | 0 | 112.2 | V114 G115 N116 K117 C118 I142 Q150 G151 A155 | V114-T144 HydrophobicContact CG1-CG2 3.69Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.35Å; G115-T144 PolarHBondContact O-N 3.19Å; N116-T144 CarbonylContact C-O 3.58Å; N116-T144 VanDerWaalsContact C-O 3.31Å; N116-T144 VanDerWaalsContact CA-O 3.27Å; N116-T144 WeakPolarHBondContact CA-O 3.34Å; N116-T144 WeakPolarHBondContact CA-OG1 3.38Å; N116-T144 PolarHBondContact OD1-O 2.94Å; N116-T144 PolarHBondContact OD1-OG1 2.93Å; K117-T144 PolarHBondContact N-O 3.01Å; C118-T144 PolarHBondContact N-O 3.32Å; C118-T144 PolarHBondContact SG-O 2.97Å; I142-T144 HydrophobicContact CG2-CG2 3.83Å; T144-Q150 CarbonylContact C-O 3.56Å; T144-Q150 WeakPolarHBondContact CA-O 3.41Å; T144-Q150 WeakPolarHBondContact CB-O 3.26Å; T144-G151 WeakPolarHBondContact CG2-O 3.41Å; T144-A155 HydrophobicContact CG2-CB 4.15Å | ||
| 145 | S | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -134.2 | 107.8 | 165.8 | 167.8 | 0 | 0 | 0 | 0 | 107.8 | D119 K147 T148 R149 Q150 | D119-S145 WeakPolarHBondContact OD1-CB 3.24Å; D119-S145 PolarHBondContact OD1-OG 2.93Å; S145-K147 PolarHBondContact O-N 3.03Å; S145-K147 PolarHBondContact OG-N 3.29Å; S145-T148 WeakPolarHBondContact CB-OG1 3.3Å; S145-T148 PolarHBondContact O-N 3.06Å; S145-T148 PolarHBondContact OG-N 2.83Å; S145-T148 PolarHBondContact OG-OG1 2.87Å; S145-R149 CarbonylContact O-C 3.59Å; S145-R149 VanDerWaalsContact O-CA 3.29Å; S145-R149 WeakPolarHBondContact O-CA 3.47Å; S145-R149 PolarHBondContact O-N 3.01Å; S145-Q150 PolarHBondContact N-O 3.42Å; S145-Q150 PolarHBondContact O-N 3.45Å | ||
| 146 | A | 98.1 | Very high | 98.4 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -29.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | A18 L19 Q22 F28 N116 | A18-A146 HydrophobicContact CB-CB 3.64Å; L19-A146 HydrophobicContact CD2-CB 3.95Å; L19-A146 HydrophobicContact CG-CB 4.23Å; Q22-A146 WeakPolarHBondContact CG-O 3.47Å; Q22-A146 PolarHBondContact NE2-O 3Å; F28-A146 HydrophobicContact CD2-CB 4.14Å; F28-A146 WeakPolarHBondContact CD2-O 3.37Å; F28-A146 HydrophobicContact CE2-CB 4.13Å; N116-A146 PolarHBondContact OD1-N 2.82Å |
| 147 | K | 97.6 | Very high | 98.4 | Very high | 119 Ų | 119 | 39.7 Ų | 39.7 | 52% | 0.517 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -46.1 | 179.7 | -174.4 | 175.3 | -176.2 | 171.7 | 0 | 113.1 | F28 D119 S145 | F28-K147 HydrophobicContact CD1-CB 4.38Å; F28-K147 HydrophobicContact CD1-CG 4.12Å; F28-K147 HydrophobicContact CD2-CB 4.18Å; F28-K147 HydrophobicContact CE1-CB 4.18Å; F28-K147 HydrophobicContact CE1-CD 4.38Å; F28-K147 HydrophobicContact CE1-CG 3.98Å; F28-K147 HydrophobicContact CE2-CB 3.95Å; F28-K147 HydrophobicContact CG-CB 4.38Å; F28-K147 HydrophobicContact CZ-CB 3.96Å; F28-K147 HydrophobicContact CZ-CG 4.24Å; D119-K147 WeakPolarHBondContact OD2-CD 3.47Å; S145-K147 PolarHBondContact O-N 3.03Å; S145-K147 PolarHBondContact OG-N 3.29Å |
| 148 | T | 97.5 | Very high | 98.5 | Very high | 84 Ų | 84 | 39 Ų | 39 | 52% | 0.515 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -2.1 | -176.9 | 64.5 | 0 | 0 | 0 | 0 | 113.4 | D119 S145 Q150 | D119-T148 HydrophobicContact CB-CG2 4.13Å; S145-T148 WeakPolarHBondContact CB-OG1 3.3Å; S145-T148 PolarHBondContact O-N 3.06Å; S145-T148 PolarHBondContact OG-N 2.83Å; S145-T148 PolarHBondContact OG-OG1 2.87Å; T148-Q150 PolarHBondContact O-N 3.09Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.05Å; T148-Q150 PolarHBondContact OG1-N 3.42Å |
| 149 | R | 97.8 | Very high | 98.5 | Very high | 65 Ų | 65 | 35.9 Ų | 35.9 | 25% | 0.245 | 18% | 0.181 | C | C | . | . | trans | 66.4 | 2.2 | -171.1 | -159.4 | -173.3 | -179.5 | 85.5 | 3.8 | 114.6 | Q22 N26 S145 G151 V152 D153 | Q22-R149 HydrophobicContact CG-CB 4.24Å; Q22-R149 HydrophobicContact CG-CG 3.95Å; Q22-R149 PolarHBondContact O-NH1 3.09Å; N26-R149 PolarHBondContact OD1-NH1 3.41Å; N26-R149 PolarHBondContact OD1-NH2 2.99Å; S145-R149 CarbonylContact O-C 3.59Å; S145-R149 VanDerWaalsContact O-CA 3.29Å; S145-R149 WeakPolarHBondContact O-CA 3.47Å; S145-R149 PolarHBondContact O-N 3.01Å; R149-G151 PolarHBondContact O-N 3.27Å; R149-V152 HydrophobicContact CG-CB 4.28Å; R149-V152 HydrophobicContact CG-CG2 4.39Å; R149-V152 PolarHBondContact O-N 2.6Å; R149-D153 IonicContact CZ-OD2 2.69Å; R149-D153 IonicContact NE-OD2 2.7Å; R149-D153 PolarHBondContact NE-OD2 3.43Å; R149-D153 IonicContact NH2-OD1 3.83Å; R149-D153 PolarHBondContact NH2-OD1 3.23Å; R149-D153 IonicContact NH2-OD2 2.8Å; R149-D153 PolarHBondContact NH2-OD2 2.99Å | ||
| 150 | Q | 98.6 | Very high | 98.5 | Very high | 107 Ų | 107 | 34.6 Ų | 34.6 | 50% | 0.5 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 126.8 | 177.7 | -178.4 | -178.8 | -38.7 | 0 | 0 | 111 | C118 T144 S145 T148 V152 | C118-Q150 PolarHBondContact SG-NE2 3.5Å; T144-Q150 CarbonylContact C-O 3.56Å; T144-Q150 WeakPolarHBondContact CA-O 3.41Å; T144-Q150 WeakPolarHBondContact CB-O 3.26Å; S145-Q150 PolarHBondContact N-O 3.42Å; S145-Q150 PolarHBondContact O-N 3.45Å; T148-Q150 PolarHBondContact O-N 3.09Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.05Å; T148-Q150 PolarHBondContact OG1-N 3.42Å; Q150-V152 PolarHBondContact O-N 3.05Å |
| 151 | G | 98.5 | Very high | 98.5 | Very high | 13 Ų | 13 | 36.6 Ų | 36.6 | 13% | 0.134 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 2.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | T144 R149 D154 A155 | T144-G151 WeakPolarHBondContact CG2-O 3.41Å; R149-G151 PolarHBondContact O-N 3.27Å; G151-D154 PolarHBondContact O-N 3.15Å; G151-A155 WeakPolarHBondContact O-CB 3.42Å; G151-A155 PolarHBondContact O-N 3.43Å |
| 152 | V | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63 | -59.3 | -175.7 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | L19 Q22 L23 R149 Q150 D154 A155 F156 | L19-V152 HydrophobicContact CD2-CG2 3.78Å; Q22-V152 HydrophobicContact CB-CG1 4.34Å; Q22-V152 HydrophobicContact CG-CG1 4.21Å; Q22-V152 HydrophobicContact CG-CG2 4.06Å; L23-V152 HydrophobicContact CB-CG1 3.98Å; R149-V152 HydrophobicContact CG-CB 4.28Å; R149-V152 HydrophobicContact CG-CG2 4.39Å; R149-V152 PolarHBondContact O-N 2.6Å; Q150-V152 PolarHBondContact O-N 3.05Å; V152-D154 VanDerWaalsContact C-N 3.28Å; V152-D154 PolarHBondContact O-N 3.19Å; V152-A155 PolarHBondContact O-N 2.97Å; V152-F156 HydrophobicContact CG1-CE2 4.41Å; V152-F156 VanDerWaalsContact O-CD2 3.31Å; V152-F156 WeakPolarHBondContact O-CD2 3.4Å |
| 153 | D | 98.4 | Very high | 98.5 | Very high | 36 Ų | 36 | 35.2 Ų | 35.2 | 19% | 0.193 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.9 | -42.2 | 177.1 | -65.4 | -93.4 | 0 | 0 | 0 | 111.3 | L23 R149 A155 F156 Y157 | L23-D153 WeakPolarHBondContact CD1-OD1 3.33Å; R149-D153 IonicContact CZ-OD2 2.69Å; R149-D153 IonicContact NE-OD2 2.7Å; R149-D153 PolarHBondContact NE-OD2 3.43Å; R149-D153 IonicContact NH2-OD1 3.83Å; R149-D153 PolarHBondContact NH2-OD1 3.23Å; R149-D153 IonicContact NH2-OD2 2.8Å; R149-D153 PolarHBondContact NH2-OD2 2.99Å; D153-A155 VanDerWaalsContact C-N 3.35Å; D153-A155 PolarHBondContact O-N 2.84Å; D153-F156 PolarHBondContact O-N 2.94Å; D153-Y157 HydrophobicContact CB-CD2 4.33Å; D153-Y157 HydrophobicContact CB-CE2 3.9Å; D153-Y157 WeakPolarHBondContact O-CB 3.44Å; D153-Y157 WeakPolarHBondContact O-CD1 3.37Å; D153-Y157 PolarHBondContact O-N 3.41Å; D153-Y157 PolarHBondContact OD1-OH 2.77Å |
| 154 | D | 98.6 | Very high | 98.5 | Very high | 92 Ų | 92 | 34.9 Ų | 34.9 | 49% | 0.492 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.9 | -38.9 | -179.4 | -70.2 | -28.2 | 0 | 0 | 0 | 113.2 | I142 G151 V152 T158 | I142-D154 HydrophobicContact CD1-CB 4.28Å; I142-D154 WeakPolarHBondContact CD1-O 3.38Å; G151-D154 PolarHBondContact O-N 3.15Å; V152-D154 VanDerWaalsContact C-N 3.28Å; V152-D154 PolarHBondContact O-N 3.19Å; D154-T158 WeakPolarHBondContact O-CB 3.28Å; D154-T158 PolarHBondContact O-N 3.15Å; D154-T158 PolarHBondContact O-OG1 3.4Å |
| 155 | A | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.9 | -52.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L79 V114 T144 G151 V152 D153 L159 | L79-A155 HydrophobicContact CD1-CB 4.39Å; L79-A155 HydrophobicContact CD2-CB 4.46Å; V114-A155 HydrophobicContact CG2-CB 4.08Å; T144-A155 HydrophobicContact CG2-CB 4.15Å; G151-A155 WeakPolarHBondContact O-CB 3.42Å; G151-A155 PolarHBondContact O-N 3.43Å; V152-A155 PolarHBondContact O-N 2.97Å; D153-A155 VanDerWaalsContact C-N 3.35Å; D153-A155 PolarHBondContact O-N 2.84Å; A155-L159 PolarHBondContact O-N 2.84Å; A155-L159 VanDerWaalsContact O-N 3.12Å |
| 156 | F | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.7 | -40.1 | 179.9 | -70.8 | -88.2 | 0 | 0 | 0 | 112 | L6 V8 L19 L23 I55 L79 V152 D153 L159 V160 | L6-F156 HydrophobicContact CD1-CD1 3.92Å; V8-F156 HydrophobicContact CG2-CE1 3.99Å; V8-F156 HydrophobicContact CG2-CZ 4.22Å; L19-F156 HydrophobicContact CB-CE2 4.39Å; L23-F156 HydrophobicContact CB-CD2 4.31Å; L23-F156 HydrophobicContact CB-CE2 4.13Å; L23-F156 HydrophobicContact CD2-CB 4.03Å; L23-F156 HydrophobicContact CD2-CD1 3.9Å; L23-F156 HydrophobicContact CD2-CD2 3.6Å; L23-F156 HydrophobicContact CD2-CE1 4.22Å; L23-F156 HydrophobicContact CD2-CE2 3.94Å; L23-F156 HydrophobicContact CD2-CG 3.58Å; L23-F156 HydrophobicContact CD2-CZ 4.24Å; L23-F156 HydrophobicContact CG-CD2 4.35Å; I55-F156 HydrophobicContact CD1-CD1 3.92Å; I55-F156 HydrophobicContact CD1-CE1 3.75Å; I55-F156 HydrophobicContact CD1-CZ 4.5Å; I55-F156 HydrophobicContact CG1-CE1 4.37Å; I55-F156 HydrophobicContact CG2-CE1 3.98Å; L79-F156 HydrophobicContact CD1-CD1 3.68Å; L79-F156 HydrophobicContact CD1-CD2 4.07Å; L79-F156 HydrophobicContact CD1-CE1 3.54Å; L79-F156 HydrophobicContact CD1-CE2 3.95Å; L79-F156 HydrophobicContact CD1-CG 3.95Å; L79-F156 HydrophobicContact CD1-CZ 3.69Å; V152-F156 HydrophobicContact CG1-CE2 4.41Å; V152-F156 VanDerWaalsContact O-CD2 3.31Å; V152-F156 WeakPolarHBondContact O-CD2 3.4Å; D153-F156 PolarHBondContact O-N 2.94Å; F156-L159 PolarHBondContact O-N 3.02Å; F156-V160 PolarHBondContact O-N 3.46Å; F156-V160 VanDerWaalsContact O-N 3.11Å |
| 157 | Y | 98.6 | Very high | 98.2 | Very high | 42 Ų | 42 | 46 Ų | 46 | 17% | 0.165 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.1 | -36.7 | -179.1 | -63.5 | -5.2 | 0 | 0 | 0 | 112 | V44 I46 L53 D153 L159 V160 R161 | V44-Y157 HydrophobicContact CB-CE1 4.2Å; V44-Y157 HydrophobicContact CG1-CE1 4.16Å; V44-Y157 HydrophobicContact CG2-CE1 4.08Å; I46-Y157 HydrophobicContact CD1-CD1 3.37Å; I46-Y157 HydrophobicContact CD1-CE1 3.97Å; I46-Y157 HydrophobicContact CD1-CG 3.86Å; I46-Y157 HydrophobicContact CG1-CD1 3.65Å; I46-Y157 HydrophobicContact CG1-CD2 4.27Å; I46-Y157 HydrophobicContact CG1-CE1 4.02Å; I46-Y157 HydrophobicContact CG1-CG 3.8Å; L53-Y157 HydrophobicContact CD1-CE1 4.41Å; D153-Y157 HydrophobicContact CB-CD2 4.33Å; D153-Y157 HydrophobicContact CB-CE2 3.9Å; D153-Y157 WeakPolarHBondContact O-CB 3.44Å; D153-Y157 WeakPolarHBondContact O-CD1 3.37Å; D153-Y157 PolarHBondContact O-N 3.41Å; D153-Y157 PolarHBondContact OD1-OH 2.77Å; Y157-L159 VanDerWaalsContact C-N 3.31Å; Y157-L159 PolarHBondContact O-N 2.95Å; Y157-V160 PolarHBondContact O-N 3.41Å; Y157-R161 WeakPolarHBondContact O-CG 3.42Å; Y157-R161 PolarHBondContact O-N 3.43Å |
| 158 | T | 98.9 | Very high | 98 | Very high | 25 Ų | 25 | 45.5 Ų | 45.5 | 15% | 0.153 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.7 | -41.2 | 172.1 | -61.7 | 0 | 0 | 0 | 0 | 110.9 | V112 P140 I142 D154 V160 R161 E162 | V112-T158 HydrophobicContact CG2-CG2 3.92Å; P140-T158 HydrophobicContact CB-CG2 3.71Å; P140-T158 HydrophobicContact CG-CG2 3.74Å; I142-T158 HydrophobicContact CD1-CG2 4.16Å; I142-T158 WeakPolarHBondContact CD1-OG1 3.23Å; D154-T158 WeakPolarHBondContact O-CB 3.28Å; D154-T158 PolarHBondContact O-N 3.15Å; D154-T158 PolarHBondContact O-OG1 3.4Å; T158-V160 VanDerWaalsContact C-N 3.35Å; T158-V160 PolarHBondContact O-N 3.2Å; T158-R161 WeakPolarHBondContact O-CB 3.1Å; T158-R161 PolarHBondContact O-N 2.98Å; T158-R161 VanDerWaalsContact O-N 3.13Å; T158-E162 WeakPolarHBondContact O-CG 3.41Å; T158-E162 PolarHBondContact O-N 3.23Å |
| 159 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -41.7 | 176 | -177.5 | 61.1 | 0 | 0 | 0 | 112.5 | L6 L79 P110 V112 A155 F156 Y157 R161 E162 I163 | L6-L159 HydrophobicContact CB-CD2 4.16Å; L6-L159 HydrophobicContact CD1-CD2 4.39Å; L6-L159 HydrophobicContact CD2-CD2 3.85Å; L6-L159 HydrophobicContact CD2-CG 4.12Å; L6-L159 HydrophobicContact CG-CD2 4.35Å; L79-L159 HydrophobicContact CD2-CB 3.95Å; L79-L159 HydrophobicContact CD2-CD2 3.81Å; L79-L159 HydrophobicContact CD2-CG 4.4Å; L79-L159 HydrophobicContact CG-CD2 3.84Å; P110-L159 HydrophobicContact CB-CD1 4.42Å; V112-L159 HydrophobicContact CG2-CB 3.95Å; V112-L159 HydrophobicContact CG2-CD1 4.15Å; A155-L159 PolarHBondContact O-N 2.84Å; A155-L159 VanDerWaalsContact O-N 3.12Å; F156-L159 PolarHBondContact O-N 3.02Å; Y157-L159 VanDerWaalsContact C-N 3.31Å; Y157-L159 PolarHBondContact O-N 2.95Å; L159-R161 VanDerWaalsContact C-N 3.29Å; L159-R161 PolarHBondContact O-N 3.25Å; L159-E162 PolarHBondContact O-N 3.13Å; L159-E162 VanDerWaalsContact O-N 3.17Å; L159-I163 HydrophobicContact CG-CD1 4.37Å; L159-I163 WeakPolarHBondContact O-CG1 3.28Å; L159-I163 PolarHBondContact O-N 3.42Å |
| 160 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 173.9 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | Y4 L6 I46 L53 F156 Y157 T158 E162 I163 R164 | Y4-V160 HydrophobicContact CD1-CG1 4.46Å; Y4-V160 HydrophobicContact CD2-CG1 3.83Å; Y4-V160 HydrophobicContact CD2-CG2 4.33Å; Y4-V160 HydrophobicContact CE1-CG1 4.33Å; Y4-V160 HydrophobicContact CE2-CG1 3.7Å; Y4-V160 HydrophobicContact CG-CG1 4.23Å; Y4-V160 HydrophobicContact CG-CG2 4.38Å; L6-V160 HydrophobicContact CD1-CG2 4.29Å; L6-V160 HydrophobicContact CD2-CG2 4.43Å; I46-V160 HydrophobicContact CD1-CB 3.8Å; I46-V160 HydrophobicContact CD1-CG1 3.88Å; I46-V160 HydrophobicContact CD1-CG2 3.71Å; L53-V160 HydrophobicContact CD2-CG2 3.59Å; F156-V160 PolarHBondContact O-N 3.46Å; F156-V160 VanDerWaalsContact O-N 3.11Å; Y157-V160 PolarHBondContact O-N 3.41Å; T158-V160 VanDerWaalsContact C-N 3.35Å; T158-V160 PolarHBondContact O-N 3.2Å; V160-E162 VanDerWaalsContact C-N 3.34Å; V160-E162 PolarHBondContact O-N 3.18Å; V160-I163 PolarHBondContact O-N 3.01Å; V160-R164 WeakPolarHBondContact O-CG 3.24Å; V160-R164 PolarHBondContact O-N 3.36Å |
| 161 | R | 98.7 | Very high | 97 | Very high | 76 Ų | 76 | 47.6 Ų | 47.6 | 29% | 0.287 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.7 | -39.6 | 175.6 | -66.9 | 174.2 | -171.8 | 119.1 | -1.9 | 112.1 | I46 D47 Y157 T158 L159 R164 K165 | I46-R161 HydrophobicContact CG2-CG 4.48Å; D47-R161 IonicContact OD1-CZ 3.74Å; D47-R161 IonicContact OD1-NE 3.14Å; D47-R161 PolarHBondContact OD1-NE 3.29Å; D47-R161 VanDerWaalsContact OD1-NE 3.14Å; D47-R161 IonicContact OD1-NH2 3.85Å; D47-R161 PolarHBondContact OD1-NH2 3.18Å; D47-R161 WeakPolarHBondContact OD2-CG 3.41Å; D47-R161 IonicContact OD2-CZ 3.35Å; D47-R161 IonicContact OD2-NE 2.89Å; D47-R161 PolarHBondContact OD2-NE 3.02Å; D47-R161 IonicContact OD2-NH2 3.01Å; Y157-R161 WeakPolarHBondContact O-CG 3.42Å; Y157-R161 PolarHBondContact O-N 3.43Å; T158-R161 WeakPolarHBondContact O-CB 3.1Å; T158-R161 PolarHBondContact O-N 2.98Å; T158-R161 VanDerWaalsContact O-N 3.13Å; L159-R161 VanDerWaalsContact C-N 3.29Å; L159-R161 PolarHBondContact O-N 3.25Å; R161-R164 PolarHBondContact O-N 3.04Å; R161-K165 WeakPolarHBondContact O-CG 3.43Å; R161-K165 PolarHBondContact O-N 2.91Å |
| 162 | E | 98.7 | Very high | 96.4 | Very high | 36 Ų | 36 | 53 Ų | 53 | 17% | 0.168 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 174.9 | -66.2 | -52.1 | 110 | 0 | 0 | 111.9 | P110 V112 P140 T158 L159 V160 R164 K165 H166 | P110-E162 HydrophobicContact CB-CB 4.15Å; V112-E162 HydrophobicContact CG2-CG 4.48Å; P140-E162 HydrophobicContact CG-CG 3.86Å; T158-E162 WeakPolarHBondContact O-CG 3.41Å; T158-E162 PolarHBondContact O-N 3.23Å; L159-E162 PolarHBondContact O-N 3.13Å; L159-E162 VanDerWaalsContact O-N 3.17Å; V160-E162 VanDerWaalsContact C-N 3.34Å; V160-E162 PolarHBondContact O-N 3.18Å; E162-R164 VanDerWaalsContact C-N 3.34Å; E162-R164 PolarHBondContact O-N 3.03Å; E162-K165 PolarHBondContact O-N 2.94Å; E162-K165 WeakPolarHBondContact OE1-CD 3.05Å; E162-K165 WeakPolarHBondContact OE1-CE 3.1Å; E162-K165 IonicContact OE1-NZ 3.22Å; E162-K165 PolarHBondContact OE1-NZ 3.06Å; E162-H166 WeakPolarHBondContact O-CB 3.24Å; E162-H166 PolarHBondContact O-N 2.79Å |
| 163 | I | 98.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 174.4 | -63.3 | 165.8 | 0 | 0 | 0 | 110.9 | Y4 L6 E76 P110 L159 V160 H166 K167 | Y4-I163 HydrophobicContact CD1-CB 4.22Å; Y4-I163 HydrophobicContact CD1-CD1 4.28Å; Y4-I163 HydrophobicContact CD1-CG2 3.75Å; Y4-I163 HydrophobicContact CE1-CB 4.45Å; Y4-I163 HydrophobicContact CE1-CG2 3.96Å; L6-I163 HydrophobicContact CD2-CD1 3.39Å; E76-I163 HydrophobicContact CB-CD1 4.11Å; E76-I163 HydrophobicContact CB-CG2 4.33Å; P110-I163 HydrophobicContact CB-CB 4.47Å; P110-I163 HydrophobicContact CB-CG1 3.68Å; P110-I163 HydrophobicContact CG-CB 4.47Å; P110-I163 HydrophobicContact CG-CG1 4.04Å; L159-I163 HydrophobicContact CG-CD1 4.37Å; L159-I163 WeakPolarHBondContact O-CG1 3.28Å; L159-I163 PolarHBondContact O-N 3.42Å; V160-I163 PolarHBondContact O-N 3.01Å; I163-H166 PolarHBondContact O-N 3.34Å; I163-K167 HydrophobicContact CG2-CD 4.1Å; I163-K167 HydrophobicContact CG2-CG 4.39Å; I163-K167 WeakPolarHBondContact O-CG 3.43Å; I163-K167 PolarHBondContact O-N 2.84Å |
| 164 | R | 98 | Very high | 94.3 | Very high | 32 Ų | 32 | 56.6 Ų | 56.6 | 12% | 0.121 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59 | -51 | 175.9 | -72.9 | 171.9 | 174 | 170.4 | -2 | 111.4 | Y4 I46 D47 E49 V160 R161 E162 H166 K167 E168 | Y4-R164 HydrophobicContact CE1-CG 4.2Å; Y4-R164 WeakPolarHBondContact OH-CG 2.82Å; Y4-R164 PolarHBondContact OH-NE 3.17Å; I46-R164 PolarHBondContact O-NH1 2.79Å; I46-R164 PolarHBondContact O-NH2 3.38Å; D47-R164 IonicContact OD2-NH1 2.99Å; E49-R164 IonicContact OE1-NH2 2.79Å; E49-R164 PolarHBondContact OE1-NH2 3.4Å; E49-R164 IonicContact OE2-CZ 3.93Å; E49-R164 IonicContact OE2-NE 3.59Å; E49-R164 IonicContact OE2-NH2 3.73Å; E49-R164 PolarHBondContact OE2-NH2 2.68Å; V160-R164 WeakPolarHBondContact O-CG 3.24Å; V160-R164 PolarHBondContact O-N 3.36Å; R161-R164 PolarHBondContact O-N 3.04Å; E162-R164 VanDerWaalsContact C-N 3.34Å; E162-R164 PolarHBondContact O-N 3.03Å; R164-H166 VanDerWaalsContact C-N 3.31Å; R164-H166 PolarHBondContact O-N 2.83Å; R164-K167 PolarHBondContact O-N 3.06Å; R164-E168 WeakPolarHBondContact O-CG 3.05Å; R164-E168 PolarHBondContact O-N 3.47Å |
| 165 | K | 97.7 | Very high | 93 | Very high | 125 Ų | 125 | 59.3 Ų | 59.3 | 54% | 0.543 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -56.1 | -44.3 | 176.9 | -72.4 | 173.8 | -171.3 | 169.7 | 0 | 112 | R161 E162 E168 K169 | R161-K165 WeakPolarHBondContact O-CG 3.43Å; R161-K165 PolarHBondContact O-N 2.91Å; E162-K165 PolarHBondContact O-N 2.94Å; E162-K165 WeakPolarHBondContact OE1-CD 3.05Å; E162-K165 WeakPolarHBondContact OE1-CE 3.1Å; E162-K165 IonicContact OE1-NZ 3.22Å; E162-K165 PolarHBondContact OE1-NZ 3.06Å; K165-E168 PolarHBondContact O-N 3.48Å; K165-K169 PolarHBondContact O-N 3.14Å |
| 166 | H | 97.2 | Very high | 91.6 | Very high | 38 Ų | 38 | 65.8 Ų | 65.8 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.2 | -47 | 178.7 | 179.2 | -99.4 | 0 | 0 | 0 | 112.1 | D108 P110 E162 I163 R164 E168 K169 M170 | D108-H166 PolarHBondContact O-NE2 3.41Å; D108-H166 VanDerWaalsContact O-NE2 3.13Å; D108-H166 IonicContact OD1-CD2 3.84Å; D108-H166 IonicContact OD2-CD2 3.33Å; P110-H166 HydrophobicContact CG-CB 3.63Å; E162-H166 WeakPolarHBondContact O-CB 3.24Å; E162-H166 PolarHBondContact O-N 2.79Å; I163-H166 PolarHBondContact O-N 3.34Å; R164-H166 VanDerWaalsContact C-N 3.31Å; R164-H166 PolarHBondContact O-N 2.83Å; H166-E168 VanDerWaalsContact C-N 3.31Å; H166-E168 PolarHBondContact O-N 3.44Å; H166-K169 WeakPolarHBondContact O-CB 3.37Å; H166-K169 PolarHBondContact O-N 3.33Å; H166-M170 PolarHBondContact CE1-SD 2.79Å; H166-M170 WeakPolarHBondContact O-CG 3.22Å; H166-M170 PolarHBondContact O-N 2.63Å |
| 167 | K | 95.3 | Very high | 90 | Very high | 74 Ų | 74 | 73.6 Ų | 73.6 | 32% | 0.322 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 176.1 | -74.2 | -179.4 | 177.8 | 179.3 | 0 | 112.4 | E76 I163 R164 S171 | E76-K167 WeakPolarHBondContact OE1-CE 3.24Å; E76-K167 IonicContact OE1-NZ 2.68Å; E76-K167 PolarHBondContact OE1-NZ 3.11Å; I163-K167 HydrophobicContact CG2-CD 4.1Å; I163-K167 HydrophobicContact CG2-CG 4.39Å; I163-K167 WeakPolarHBondContact O-CG 3.43Å; I163-K167 PolarHBondContact O-N 2.84Å; R164-K167 PolarHBondContact O-N 3.06Å; K167-S171 WeakPolarHBondContact O-CB 3.33Å; K167-S171 PolarHBondContact O-N 3.07Å; K167-S171 VanDerWaalsContact O-N 3.08Å; K167-S171 PolarHBondContact O-OG 2.92Å |
| 168 | E | 94.4 | Very high | 88.4 | Confident | 108 Ų | 108 | 79.1 Ų | 79.1 | 51% | 0.505 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 174.7 | -75.1 | -177.5 | -162.3 | 0 | 0 | 112.5 | R164 K165 H166 S171 K172 | R164-E168 WeakPolarHBondContact O-CG 3.05Å; R164-E168 PolarHBondContact O-N 3.47Å; K165-E168 PolarHBondContact O-N 3.48Å; H166-E168 VanDerWaalsContact C-N 3.31Å; H166-E168 PolarHBondContact O-N 3.44Å; E168-S171 PolarHBondContact O-N 3.24Å; E168-K172 WeakPolarHBondContact O-CG 3.17Å; E168-K172 PolarHBondContact O-N 2.89Å; E168-K172 IonicContact OE2-NZ 4Å |
| 169 | K | 92.7 | Very high | 86.6 | Confident | 109 Ų | 109 | 85.6 Ų | 85.6 | 47% | 0.474 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 177.6 | -173.3 | -177.7 | 174.8 | -172.2 | 0 | 111.1 | D108 K165 H166 S171 K172 D173 | D108-K169 IonicContact OD2-NZ 3.29Å; D108-K169 PolarHBondContact OD2-NZ 2.96Å; K165-K169 PolarHBondContact O-N 3.14Å; H166-K169 WeakPolarHBondContact O-CB 3.37Å; H166-K169 PolarHBondContact O-N 3.33Å; K169-S171 VanDerWaalsContact C-N 3.28Å; K169-S171 PolarHBondContact O-N 3.46Å; K169-K172 PolarHBondContact O-N 3.49Å; K169-K172 VanDerWaalsContact O-N 3.13Å; K169-D173 PolarHBondContact O-N 2.91Å |
| 170 | M | 89.5 | Confident | 84.8 | Confident | 117 Ų | 117 | 93.3 Ų | 93.3 | 58% | 0.576 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -57.9 | -40.7 | 176.6 | -68.5 | -174.6 | 77.5 | 0 | 0 | 112.4 | H166 D173 G174 | H166-M170 PolarHBondContact CE1-SD 2.79Å; H166-M170 WeakPolarHBondContact O-CG 3.22Å; H166-M170 PolarHBondContact O-N 2.63Å; M170-D173 PolarHBondContact O-N 3.39Å; M170-G174 PolarHBondContact O-N 3.03Å |
| 171 | S | 89.3 | Confident | 83.1 | Confident | 74 Ų | 74 | 98 Ų | 98 | 52% | 0.517 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 178.1 | -64 | 0 | 0 | 0 | 0 | 112.6 | K167 E168 K169 K175 | K167-S171 WeakPolarHBondContact O-CB 3.33Å; K167-S171 PolarHBondContact O-N 3.07Å; K167-S171 VanDerWaalsContact O-N 3.08Å; K167-S171 PolarHBondContact O-OG 2.92Å; E168-S171 PolarHBondContact O-N 3.24Å; K169-S171 VanDerWaalsContact C-N 3.28Å; K169-S171 PolarHBondContact O-N 3.46Å; S171-K175 WeakPolarHBondContact O-CG 3.1Å; S171-K175 PolarHBondContact O-N 2.83Å |
| 172 | K | 85.4 | Confident | 81.3 | Confident | 127 Ų | 127 | 103 Ų | 103 | 55% | 0.552 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.9 | -40.3 | 176.3 | -72.7 | 172 | -174.1 | 167.2 | 0 | 111.5 | E168 K169 K175 K176 | E168-K172 WeakPolarHBondContact O-CG 3.17Å; E168-K172 PolarHBondContact O-N 2.89Å; E168-K172 IonicContact OE2-NZ 4Å; K169-K172 PolarHBondContact O-N 3.49Å; K169-K172 VanDerWaalsContact O-N 3.13Å; K172-K175 PolarHBondContact O-N 3.2Å; K172-K176 PolarHBondContact O-N 2.6Å |
| 173 | D | 79 | Confident | 79.5 | Confident | 72 Ų | 72 | 106.5 Ų | 106.5 | 39% | 0.385 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.8 | -36.8 | -179.9 | -72.4 | -20.2 | 0 | 0 | 0 | 112.7 | K169 M170 K175 K176 K177 | K169-D173 PolarHBondContact O-N 2.91Å; M170-D173 PolarHBondContact O-N 3.39Å; D173-K175 VanDerWaalsContact C-N 3.32Å; D173-K175 PolarHBondContact O-N 3.33Å; D173-K176 PolarHBondContact O-N 3.3Å; D173-K177 PolarHBondContact O-N 3.3Å |
| 174 | G | 74.7 | Confident | 77.6 | Confident | 38 Ų | 38 | 115.3 Ų | 115.3 | 39% | 0.392 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.5 | -40.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M170 K178 | M170-G174 PolarHBondContact O-N 3.03Å; G174-K178 PolarHBondContact O-N 3.36Å |
| 175 | K | 71.1 | Confident | 75.6 | Confident | 150 Ų | 150 | 119 Ų | 119 | 65% | 0.652 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68 | -40 | 175.5 | -73.5 | 177.9 | -179 | 178.3 | 0 | 112.4 | S171 K172 D173 K178 K179 | S171-K175 WeakPolarHBondContact O-CG 3.1Å; S171-K175 PolarHBondContact O-N 2.83Å; K172-K175 PolarHBondContact O-N 3.2Å; D173-K175 VanDerWaalsContact C-N 3.32Å; D173-K175 PolarHBondContact O-N 3.33Å; K175-K178 PolarHBondContact O-N 3.06Å; K175-K179 PolarHBondContact O-N 3.16Å; K175-K179 VanDerWaalsContact O-N 3.1Å |
| 176 | K | 68.8 | Low | 73.7 | Confident | 137 Ų | 137 | 120.3 Ų | 120.3 | 60% | 0.596 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.9 | -42.8 | 176.5 | -74.1 | -179.7 | -177.7 | 173.3 | 0 | 112.2 | K172 D173 K178 K179 K180 | K172-K176 PolarHBondContact O-N 2.6Å; D173-K176 PolarHBondContact O-N 3.3Å; K176-K178 PolarHBondContact O-N 3.18Å; K176-K179 PolarHBondContact O-N 3.27Å; K176-K180 PolarHBondContact O-N 3.48Å; K176-K180 VanDerWaalsContact O-N 3.17Å |
| 177 | K | 66.5 | Low | 71.9 | Confident | 163 Ų | 163 | 126 Ų | 126 | 71% | 0.709 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61 | -43.5 | 175.9 | -74.1 | -176.3 | 178.9 | 179.5 | 0 | 111.8 | D173 K179 K180 T181 | D173-K177 PolarHBondContact O-N 3.3Å; K177-K179 PolarHBondContact O-N 3.34Å; K177-K180 PolarHBondContact O-N 3.5Å; K177-T181 PolarHBondContact O-N 3.09Å; K177-T181 PolarHBondContact O-OG1 2.92Å |
| 178 | K | 64.3 | Low | 69.4 | Low | 159 Ų | 159 | 134.1 Ų | 134.1 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -64.8 | -31.8 | 176 | -74.1 | -175.4 | 178.8 | -176.9 | 0 | 114.1 | G174 K175 K176 T181 | G174-K178 PolarHBondContact O-N 3.36Å; K175-K178 PolarHBondContact O-N 3.06Å; K176-K178 PolarHBondContact O-N 3.18Å; K178-T181 PolarHBondContact O-OG1 2.75Å; K178-T181 VanDerWaalsContact O-OG1 3.09Å |
| 179 | K | 60.8 | Low | 68.2 | Low | 161 Ų | 161 | 135.5 Ų | 135.5 | 70% | 0.7 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -70.9 | -41.9 | 175 | -78.7 | -171 | 176.6 | -173.5 | 0 | 112.1 | K175 K176 K177 T181 K182 T183 | K175-K179 PolarHBondContact O-N 3.16Å; K175-K179 VanDerWaalsContact O-N 3.1Å; K176-K179 PolarHBondContact O-N 3.27Å; K177-K179 PolarHBondContact O-N 3.34Å; K179-T181 VanDerWaalsContact C-N 3.35Å; K179-T181 PolarHBondContact O-N 3.18Å; K179-K182 PolarHBondContact O-N 3.13Å; K179-T183 PolarHBondContact O-OG1 3.26Å |
| 180 | K | 60.8 | Low | 66.9 | Low | 162 Ų | 162 | 136.8 Ų | 136.8 | 70% | 0.704 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -65.4 | -33.5 | -179.8 | -75.7 | -168.7 | 176.5 | -174.8 | 0 | 113.6 | K176 K177 T183 | K176-K180 PolarHBondContact O-N 3.48Å; K176-K180 VanDerWaalsContact O-N 3.17Å; K177-K180 PolarHBondContact O-N 3.5Å; K180-T183 PolarHBondContact O-OG1 3.12Å; K180-T183 VanDerWaalsContact O-OG1 3.09Å |
| 181 | T | 63.2 | Low | 65.6 | Low | 98 Ų | 98 | 137.9 Ų | 137.9 | 60% | 0.601 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -71.2 | -33 | 177.2 | 46.4 | 0 | 0 | 0 | 0 | 112.7 | K177 K178 K179 T183 K184 | K177-T181 PolarHBondContact O-N 3.09Å; K177-T181 PolarHBondContact O-OG1 2.92Å; K178-T181 PolarHBondContact O-OG1 2.75Å; K178-T181 VanDerWaalsContact O-OG1 3.09Å; K179-T181 VanDerWaalsContact C-N 3.35Å; K179-T181 PolarHBondContact O-N 3.18Å; T181-T183 VanDerWaalsContact C-N 3.34Å; T181-T183 PolarHBondContact O-N 3.16Å; T181-K184 PolarHBondContact O-N 2.75Å |
| 182 | K | 60.9 | Low | 64.2 | Low | 181 Ų | 181 | 141.7 Ų | 141.7 | 79% | 0.787 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -69.5 | -26.2 | 178 | -75 | -168.5 | 174.4 | -167.4 | 0 | 114.3 | K179 | K179-K182 PolarHBondContact O-N 3.13Å |
| 183 | T | 61.5 | Low | 62.9 | Low | 109 Ų | 109 | 142.6 Ų | 142.6 | 67% | 0.669 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -3.6 | 179.3 | 34.4 | 0 | 0 | 0 | 0 | 114.9 | K179 K180 T181 | K179-T183 PolarHBondContact O-OG1 3.26Å; K180-T183 PolarHBondContact O-OG1 3.12Å; K180-T183 VanDerWaalsContact O-OG1 3.09Å; T181-T183 VanDerWaalsContact C-N 3.34Å; T181-T183 PolarHBondContact O-N 3.16Å |
| 184 | K | 59 | Low | 61.9 | Low | 187 Ų | 187 | 147.3 Ų | 147.3 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 3.4 | -177.4 | -88.6 | -169 | 171.6 | -168.7 | 0 | 115.3 | T181 I186 | T181-K184 PolarHBondContact O-N 2.75Å; K184-I186 PolarHBondContact O-N 3.15Å |
| 185 | C | 55.5 | Low | 60.9 | Low | 110 Ų | 110 | 155.1 Ų | 155.1 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | trans | -91.9 | 85.5 | 167.8 | -72.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 186 | I | 58.5 | Low | 60.2 | Low | 153 Ų | 153 | 155.5 Ų | 155.5 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -109.6 | 104.6 | 153.2 | -61.3 | 176.1 | 0 | 0 | 0 | 104.2 | K184 | K184-I186 PolarHBondContact O-N 3.15Š| ||
| 187 | I | 59 | Low | 59.4 | Low | 157 Ų | 157 | 157.1 Ų | 157.1 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | trans | -81.9 | 120.8 | 171.7 | -64.7 | 169.6 | 0 | 0 | 0 | 105.7 | ||||
| 188 | M | 43.3 | Very low | 58.8 | Low | 245 Ų | 245 | 156.5 Ų | 156.5 | 100% | 1.207 | 77% | 0.773 | S | S | * | * | trans | -80.1 | 0 | 158 | -75.6 | -177.2 | 66.8 | 0 | 0 | 109.4 |
Retrieved 188 of 188 residues in 550 ms
(Link to these results)