| 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 | 79.5 | Confident | 94.4 | Very high | 135 Ų | 135 | 33.5 Ų | 33.5 | 67% | 0.665 | 17% | 0.169 | S | C | * | . | 0 | 125.1 | 0 | -173.6 | 162.8 | 101.4 | 0 | 0 | 106.8 | Q43 T50 L52 | M1-Q43 HydrophobicContact CE-CB 4.2Å; M1-Q43 HydrophobicContact CE-CG 3.81Å; M1-Q43 HydrophobicContact SD-CG 3.87Å; M1-Q43 PolarHBondContact SD-NE2 3.07Å; M1-Q43 VanDerWaalsContact SD-NE2 3.44Å; M1-T50 HydrophobicContact CG-CG2 4.48Å; M1-T50 HydrophobicContact SD-CG2 3.96Å; M1-L52 HydrophobicContact CE-CB 3.53Å; M1-L52 HydrophobicContact CE-CD1 3.86Å; M1-L52 HydrophobicContact CE-CD2 4.48Å; M1-L52 HydrophobicContact CE-CG 4.16Å | |||
| 2 | T | 94.1 | Very high | 94.1 | Very high | 53 Ų | 53 | 33.4 Ų | 33.4 | 33% | 0.325 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 132.4 | -178.4 | -47.1 | 0 | 0 | 0 | 0 | 109.2 | Y4 E49 C51 L52 | T2-Y4 HydrophobicContact CG2-CE1 4.09Å; T2-Y4 HydrophobicContact CG2-CE2 3.91Å; T2-E49 PolarHBondContact OG1-OE1 3.3Å; T2-C51 CarbonylContact O-C 3.57Å; T2-C51 VanDerWaalsContact O-CA 3.22Å; T2-C51 WeakPolarHBondContact O-CA 3.29Å; T2-C51 VanDerWaalsContact O-CB 3.28Å; T2-C51 WeakPolarHBondContact O-CB 3.26Å; T2-L52 PolarHBondContact O-N 2.96Å |
| 3 | E | 97 | Very high | 93.8 | Very high | 69 Ų | 69 | 34.3 Ų | 34.3 | 32% | 0.322 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 139.7 | 174.3 | -176.5 | 175.8 | -155.1 | 0 | 0 | 108.8 | R41 L52 D54 | E3-R41 IonicContact OE1-CZ 2.79Å; E3-R41 IonicContact OE1-NH2 2.64Å; E3-R41 PolarHBondContact OE1-NH2 3.38Å; E3-L52 CarbonylContact C-O 3.25Å; E3-L52 WeakPolarHBondContact CA-O 3.45Å; E3-L52 HydrophobicContact CB-CB 4.3Å; E3-L52 HydrophobicContact CG-CB 4.27Å; E3-L52 HydrophobicContact CG-CD2 4.21Å; E3-L52 HydrophobicContact CG-CG 4.48Å; E3-D54 HydrophobicContact CG-CB 4.31Å |
| 4 | Y | 98.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 118.3 | 175.8 | -64 | -73.8 | 0 | 0 | 0 | 109.8 | T2 L6 C51 L52 L53 D54 V160 I163 R164 | T2-Y4 HydrophobicContact CG2-CE1 4.09Å; T2-Y4 HydrophobicContact CG2-CE2 3.91Å; Y4-L6 PolarHBondContact O-N 3.21Å; Y4-C51 HydrophobicContact CD2-CB 3.78Å; Y4-C51 HydrophobicContact CE2-CB 3.57Å; Y4-L52 PolarHBondContact N-O 2.9Å; Y4-L53 HydrophobicContact CD2-CD2 4.42Å; Y4-D54 PolarHBondContact O-N 3.33Å; Y4-V160 HydrophobicContact CD1-CG1 4.46Å; Y4-V160 HydrophobicContact CD2-CG1 3.76Å; Y4-V160 HydrophobicContact CD2-CG2 4.2Å; Y4-V160 HydrophobicContact CE1-CG1 4.29Å; Y4-V160 HydrophobicContact CE2-CG1 3.54Å; Y4-V160 HydrophobicContact CG-CG1 4.22Å; Y4-V160 HydrophobicContact CG-CG2 4.31Å; Y4-I163 HydrophobicContact CD1-CB 4.34Å; Y4-I163 HydrophobicContact CD1-CD1 4.38Å; Y4-I163 HydrophobicContact CD1-CG2 3.82Å; Y4-I163 HydrophobicContact CE1-CG2 4.01Å; Y4-R164 HydrophobicContact CE1-CG 4.24Å; Y4-R164 VanDerWaalsContact OH-CG 3.29Å; Y4-R164 WeakPolarHBondContact OH-CG 3.24Å; Y4-R164 PolarHBondContact OH-NE 3.01Å |
| 5 | K | 97.8 | Very high | 93.9 | Very high | 84 Ų | 84 | 30.6 Ų | 30.6 | 37% | 0.365 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 105.8 | 177 | -62.5 | -179 | -178.1 | -176.2 | 0 | 110.6 | D54 E76 G77 | K5-D54 CarbonylContact C-O 3.57Å; K5-D54 WeakPolarHBondContact CA-O 3.4Å; K5-D54 HydrophobicContact CG-CB 4.36Å; K5-E76 HydrophobicContact CB-CG 4.25Å; K5-E76 PolarHBondContact N-OE1 3.4Å; K5-E76 PolarHBondContact O-N 2.92Å; K5-G77 PolarHBondContact O-N 3.29Å |
| 6 | L | 98.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 138.9 | -178.6 | -48 | -174.4 | 0 | 0 | 0 | 109.4 | Y4 L53 D54 I55 L56 F156 L159 V160 I163 | Y4-L6 PolarHBondContact O-N 3.21Å; L6-L53 HydrophobicContact CD1-CD1 4.46Å; L6-L53 HydrophobicContact CD1-CD2 4.24Å; L6-D54 PolarHBondContact N-O 3.2Å; L6-I55 HydrophobicContact CB-CG1 4.39Å; L6-I55 HydrophobicContact CD1-CG1 4.41Å; L6-I55 CarbonylContact O-C 3.51Å; L6-I55 WeakPolarHBondContact O-CA 3.1Å; L6-L56 PolarHBondContact O-N 2.82Å; L6-F156 HydrophobicContact CD1-CD1 3.89Å; L6-L159 HydrophobicContact CB-CD2 4.25Å; L6-L159 HydrophobicContact CD1-CD2 4.44Å; L6-L159 HydrophobicContact CD2-CD2 3.87Å; L6-L159 HydrophobicContact CD2-CG 4.13Å; L6-L159 HydrophobicContact CG-CD2 4.41Å; L6-V160 HydrophobicContact CD1-CG2 4.25Å; L6-V160 HydrophobicContact CD2-CG2 4.39Å; L6-I163 HydrophobicContact CD2-CD1 3.37Å |
| 7 | V | 96.9 | Very high | 93.8 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.024 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 130.8 | 175.9 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | V9 L56 T58 Y71 G77 F78 L79 | V7-V9 HydrophobicContact CG1-CG1 3.85Å; V7-L56 HydrophobicContact CG1-CD2 4.44Å; V7-L56 HydrophobicContact CG2-CB 4.37Å; V7-T58 HydrophobicContact CG1-CG2 3.81Å; V7-Y71 HydrophobicContact CG1-CD2 3.84Å; V7-Y71 HydrophobicContact CG1-CE2 4.34Å; V7-G77 PolarHBondContact N-O 3.41Å; V7-F78 HydrophobicContact CB-CD1 3.72Å; V7-F78 HydrophobicContact CB-CE1 3.82Å; V7-F78 HydrophobicContact CG1-CD1 4.21Å; V7-F78 HydrophobicContact CG1-CE1 4.27Å; V7-F78 HydrophobicContact CG2-CD1 4.36Å; V7-F78 HydrophobicContact CG2-CE1 3.98Å; V7-F78 CarbonylContact O-C 3.58Å; V7-F78 WeakPolarHBondContact O-CA 3.42Å; V7-L79 PolarHBondContact O-N 3.41Å |
| 8 | V | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 113.2 | 177.7 | -167.2 | 0 | 0 | 0 | 0 | 108.8 | K16 I55 L56 T58 L79 V81 F156 | V8-K16 HydrophobicContact CB-CB 4.42Å; V8-K16 HydrophobicContact CG1-CB 3.66Å; V8-K16 HydrophobicContact CG1-CD 4.12Å; V8-K16 HydrophobicContact CG1-CG 3.88Å; V8-I55 HydrophobicContact CG2-CG2 3.86Å; V8-L56 PolarHBondContact N-O 3.16Å; V8-T58 PolarHBondContact O-OG1 2.65Å; V8-L79 HydrophobicContact CG1-CB 4.25Å; V8-L79 HydrophobicContact CG2-CD1 4.37Å; V8-V81 HydrophobicContact CG1-CG2 3.58Å; V8-F156 HydrophobicContact CG2-CE1 4Å; V8-F156 HydrophobicContact CG2-CZ 4.23Å |
| 9 | V | 94.7 | Very high | 94 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 158.1 | -178.8 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | V7 K16 F78 L79 V81 Y96 I100 | V7-V9 HydrophobicContact CG1-CG1 3.85Å; V9-K16 VanDerWaalsContact C-CD 3.48Å; V9-F78 HydrophobicContact CG1-CD1 4.49Å; V9-L79 WeakPolarHBondContact CG2-O 3.36Å; V9-L79 PolarHBondContact N-O 2.86Å; V9-L79 VanDerWaalsContact O-O 3.12Å; V9-V81 PolarHBondContact O-N 2.75Å; V9-Y96 HydrophobicContact CB-CD1 4.07Å; V9-Y96 HydrophobicContact CG2-CD1 4.4Å; V9-Y96 HydrophobicContact CG2-CG 4.44Å; V9-I100 HydrophobicContact CG2-CD1 4.03Å |
| 10 | G | 94.1 | Very high | 94 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | trans | 146 | 167.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | K16 G60 V81 Y96 | G10-K16 PolarHBondContact O-NZ 3.42Å; G10-G60 WeakPolarHBondContact O-CA 3.49Å; G10-V81 WeakPolarHBondContact CA-O 3.38Å; G10-Y96 VanDerWaalsContact C-CZ 3.42Å; G10-Y96 VanDerWaalsContact C-OH 3.23Å; G10-Y96 PolarHBondContact O-OH 3.31Å | ||
| 11 | A | 92.3 | Very high | 94 | Very high | 12 Ų | 12 | 24.7 Ų | 24.7 | 10% | 0.099 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -58.1 | 163.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | V14 K16 Y96 | A11-V14 HydrophobicContact CB-CG1 3.92Å; A11-V14 VanDerWaalsContact O-CG2 3.26Å; A11-V14 WeakPolarHBondContact O-CG2 3.47Å; A11-K16 PolarHBondContact O-NZ 3.21Å; A11-Y96 WeakPolarHBondContact CA-OH 3.36Å; A11-Y96 PolarHBondContact N-OH 3.44Å |
| 12 | G | 90.4 | Very high | 94.7 | Very high | 32 Ų | 32 | 18.8 Ų | 18.8 | 33% | 0.33 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 139.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | V14 G60 | G12-V14 VanDerWaalsContact C-N 3.27Å; G12-V14 PolarHBondContact O-N 3.33Å; G12-G60 PolarHBondContact N-O 2.77Å |
| 13 | G | 90.2 | Very high | 94.7 | Very high | 45 Ų | 45 | 16.3 Ų | 16.3 | 46% | 0.464 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | G15 K117 | G13-G15 PolarHBondContact O-N 2.82Å; G13-K117 WeakPolarHBondContact O-CE 3.41Å; G13-K117 PolarHBondContact O-NZ 3.13Å |
| 14 | V | 94.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -72.4 | -16.2 | 176.7 | -57.9 | 0 | 0 | 0 | 0 | 113.4 | A11 G12 K16 V81 A83 N116 K117 | A11-V14 HydrophobicContact CB-CG1 3.92Å; A11-V14 VanDerWaalsContact O-CG2 3.26Å; A11-V14 WeakPolarHBondContact O-CG2 3.47Å; G12-V14 VanDerWaalsContact C-N 3.27Å; G12-V14 PolarHBondContact O-N 3.33Å; V14-K16 HydrophobicContact CG2-CD 4.32Å; V14-K16 HydrophobicContact CG2-CG 3.61Å; V14-V81 HydrophobicContact CB-CG1 4.34Å; V14-V81 HydrophobicContact CG2-CB 4.04Å; V14-V81 HydrophobicContact CG2-CG1 3.83Å; V14-A83 HydrophobicContact CB-CB 4.31Å; V14-A83 HydrophobicContact CG1-CB 4.41Å; V14-N116 PolarHBondContact O-ND2 2.57Å; V14-K117 WeakPolarHBondContact O-CE 3.24Å |
| 15 | G | 94.3 | Very high | 94.1 | Very high | 13 Ų | 13 | 19.9 Ų | 19.9 | 13% | 0.134 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 98 | 34.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | G13 A18 L19 | G13-G15 PolarHBondContact O-N 2.82Å; G15-A18 PolarHBondContact O-N 3.45Å; G15-L19 WeakPolarHBondContact O-CG 3.42Å; G15-L19 PolarHBondContact O-N 2.99Å |
| 16 | K | 94.6 | Very high | 93.7 | Very high | 6 Ų | 6 | 19.9 Ų | 19.9 | 3% | 0.026 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.3 | -55.6 | 175.8 | -57.7 | -169.3 | -59.4 | -74.9 | 0 | 111.7 | V8 V9 G10 A11 V14 A18 L19 T20 D57 T58 V81 | V8-K16 HydrophobicContact CB-CB 4.42Å; V8-K16 HydrophobicContact CG1-CB 3.66Å; V8-K16 HydrophobicContact CG1-CD 4.12Å; V8-K16 HydrophobicContact CG1-CG 3.88Å; V9-K16 VanDerWaalsContact C-CD 3.48Å; G10-K16 PolarHBondContact O-NZ 3.42Å; A11-K16 PolarHBondContact O-NZ 3.21Å; V14-K16 HydrophobicContact CG2-CD 4.32Å; V14-K16 HydrophobicContact CG2-CG 3.61Å; K16-A18 VanDerWaalsContact C-N 3.3Å; K16-A18 PolarHBondContact O-N 3.03Å; K16-L19 WeakPolarHBondContact O-CB 3.28Å; K16-L19 PolarHBondContact O-N 3.41Å; K16-L19 VanDerWaalsContact O-N 3.13Å; K16-T20 PolarHBondContact O-N 2.96Å; K16-T20 PolarHBondContact O-OG1 2.82Å; K16-D57 VanDerWaalsContact CB-OD1 3.22Å; K16-D57 WeakPolarHBondContact CB-OD1 3.25Å; K16-T58 WeakPolarHBondContact CE-O 3.32Å; K16-T58 PolarHBondContact NZ-O 2.99Å; K16-V81 HydrophobicContact CG-CB 4.26Å; K16-V81 HydrophobicContact CG-CG2 4.42Å |
| 17 | S | 92.6 | Very high | 93 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.1 | -40.8 | 176.1 | -32.4 | 0 | 0 | 0 | 0 | 111.8 | L19 T20 I21 Y32 T35 D57 | S17-L19 VanDerWaalsContact C-N 3.33Å; S17-L19 PolarHBondContact O-N 2.92Å; S17-T20 PolarHBondContact O-N 2.88Å; S17-I21 WeakPolarHBondContact O-CB 3.47Å; S17-I21 VanDerWaalsContact O-CG1 3.25Å; S17-I21 WeakPolarHBondContact O-CG1 3.39Å; S17-I21 PolarHBondContact O-N 2.93Å; S17-Y32 PolarHBondContact OG-OH 3.27Å; S17-T35 PolarHBondContact OG-OG1 2.76Å; S17-D57 WeakPolarHBondContact CA-OD2 3.34Å; S17-D57 WeakPolarHBondContact CB-OD2 3.29Å; S17-D57 PolarHBondContact N-OD1 3.22Å; S17-D57 PolarHBondContact OG-OD2 2.71Å |
| 18 | A | 94.1 | Very high | 92.2 | Very high | 20 Ų | 20 | 27.2 Ų | 27.2 | 17% | 0.165 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G15 K16 Q22 F28 A146 | G15-A18 PolarHBondContact O-N 3.45Å; K16-A18 VanDerWaalsContact C-N 3.3Å; K16-A18 PolarHBondContact O-N 3.03Å; A18-Q22 WeakPolarHBondContact O-CB 3.41Å; A18-Q22 PolarHBondContact O-N 3.26Å; A18-F28 HydrophobicContact CB-CE2 4.2Å; A18-A146 HydrophobicContact CB-CB 3.67Å |
| 19 | L | 96.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.5 | -45 | 174 | -72.1 | 170.8 | 0 | 0 | 0 | 111.5 | G15 K16 S17 Q22 L23 V81 V114 N116 A146 V152 F156 | G15-L19 WeakPolarHBondContact O-CG 3.42Å; G15-L19 PolarHBondContact O-N 2.99Å; K16-L19 WeakPolarHBondContact O-CB 3.28Å; K16-L19 PolarHBondContact O-N 3.41Å; K16-L19 VanDerWaalsContact O-N 3.13Å; S17-L19 VanDerWaalsContact C-N 3.33Å; S17-L19 PolarHBondContact O-N 2.92Å; L19-Q22 PolarHBondContact O-N 2.96Å; L19-L23 PolarHBondContact O-N 3.16Å; L19-V81 HydrophobicContact CD1-CG1 3.9Å; L19-V81 HydrophobicContact CD1-CG2 4.21Å; L19-V114 HydrophobicContact CD1-CG1 4.03Å; L19-N116 HydrophobicContact CD1-CB 4.32Å; L19-A146 HydrophobicContact CD2-CB 3.93Å; L19-A146 HydrophobicContact CG-CB 4.22Å; L19-V152 HydrophobicContact CD2-CG2 3.81Å; L19-F156 HydrophobicContact CB-CE2 4.32Å |
| 20 | T | 94.6 | Very high | 90 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.4 | -51.4 | 179.6 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | K16 S17 Q22 L23 I24 Y40 I55 | K16-T20 PolarHBondContact O-N 2.96Å; K16-T20 PolarHBondContact O-OG1 2.82Å; S17-T20 PolarHBondContact O-N 2.88Å; T20-Q22 VanDerWaalsContact C-N 3.33Å; T20-Q22 PolarHBondContact O-N 3.12Å; T20-L23 WeakPolarHBondContact O-CB 3.39Å; T20-L23 PolarHBondContact O-N 2.93Å; T20-L23 VanDerWaalsContact O-N 3.15Å; T20-I24 HydrophobicContact CG2-CG1 4.3Å; T20-I24 VanDerWaalsContact O-CG1 3.22Å; T20-I24 WeakPolarHBondContact O-CG1 3.22Å; T20-I24 PolarHBondContact O-N 3.09Å; T20-Y40 HydrophobicContact CG2-CD2 3.37Å; T20-Y40 HydrophobicContact CG2-CE2 3.88Å; T20-Y40 HydrophobicContact CG2-CG 3.89Å; T20-I55 HydrophobicContact CG2-CB 4.35Å; T20-I55 HydrophobicContact CG2-CG2 3.8Å |
| 21 | I | 93 | Very high | 88.7 | Confident | 30 Ų | 30 | 45.1 Ų | 45.1 | 15% | 0.154 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 178.1 | -66.4 | 166.1 | 0 | 0 | 0 | 110.7 | S17 L23 I24 Q25 V29 | S17-I21 WeakPolarHBondContact O-CB 3.47Å; S17-I21 VanDerWaalsContact O-CG1 3.25Å; S17-I21 WeakPolarHBondContact O-CG1 3.39Å; S17-I21 PolarHBondContact O-N 2.93Å; I21-L23 VanDerWaalsContact C-N 3.3Å; I21-L23 PolarHBondContact O-N 3.42Å; I21-I24 PolarHBondContact O-N 3.36Å; I21-I24 VanDerWaalsContact O-N 3.16Å; I21-Q25 HydrophobicContact CG2-CB 4.36Å; I21-Q25 HydrophobicContact CG2-CG 4.39Å; I21-Q25 WeakPolarHBondContact O-CB 3.38Å; I21-Q25 PolarHBondContact O-N 2.71Å; I21-V29 HydrophobicContact CG2-CG2 4.24Å |
| 22 | Q | 95.1 | Very high | 87.2 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 177.1 | -176 | 66.4 | -68 | 0 | 0 | 111.5 | A18 L19 T20 N26 H27 A146 R149 V152 | A18-Q22 WeakPolarHBondContact O-CB 3.41Å; A18-Q22 PolarHBondContact O-N 3.26Å; L19-Q22 PolarHBondContact O-N 2.96Å; T20-Q22 VanDerWaalsContact C-N 3.33Å; T20-Q22 PolarHBondContact O-N 3.12Å; Q22-N26 VanDerWaalsContact O-CA 3.29Å; Q22-N26 WeakPolarHBondContact O-CA 3.3Å; Q22-N26 PolarHBondContact O-N 3.44Å; Q22-N26 VanDerWaalsContact O-N 3.13Å; Q22-H27 WeakPolarHBondContact CA-O 3.46Å; Q22-H27 PolarHBondContact OE1-O 2.85Å; Q22-A146 WeakPolarHBondContact CG-O 3.37Å; Q22-A146 PolarHBondContact NE2-O 3.44Å; Q22-R149 HydrophobicContact CG-CB 4.2Å; Q22-R149 HydrophobicContact CG-CG 4.09Å; Q22-V152 HydrophobicContact CB-CG1 4.42Å; Q22-V152 HydrophobicContact CG-CG1 4.36Å; Q22-V152 HydrophobicContact CG-CG2 4.13Å |
| 23 | L | 94.9 | Very high | 86 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 172.8 | -179.6 | 72 | 0 | 0 | 0 | 111.5 | L19 T20 I21 K42 L53 I55 V152 E153 F156 | L19-L23 PolarHBondContact O-N 3.16Å; T20-L23 WeakPolarHBondContact O-CB 3.39Å; T20-L23 PolarHBondContact O-N 2.93Å; T20-L23 VanDerWaalsContact O-N 3.15Å; I21-L23 VanDerWaalsContact C-N 3.3Å; I21-L23 PolarHBondContact O-N 3.42Å; L23-K42 HydrophobicContact CG-CD 4.47Å; L23-K42 PolarHBondContact O-NZ 3.26Å; L23-L53 HydrophobicContact CD2-CD1 4.13Å; L23-I55 HydrophobicContact CD2-CD1 3.5Å; L23-I55 VanDerWaalsContact CD2-CD1 3.5Å; L23-V152 HydrophobicContact CB-CG1 4.01Å; L23-E153 HydrophobicContact CD1-CG 3.93Å; L23-F156 HydrophobicContact CB-CD2 4.35Å; L23-F156 HydrophobicContact CB-CE2 4.17Å; L23-F156 HydrophobicContact CD1-CD2 4.4Å; L23-F156 HydrophobicContact CD2-CB 4.07Å; L23-F156 HydrophobicContact CD2-CD1 3.91Å; L23-F156 HydrophobicContact CD2-CD2 3.64Å; L23-F156 HydrophobicContact CD2-CE1 4.23Å; L23-F156 HydrophobicContact CD2-CE2 3.98Å; L23-F156 HydrophobicContact CD2-CG 3.62Å; L23-F156 HydrophobicContact CD2-CZ 4.26Å; L23-F156 HydrophobicContact CG-CD2 4.35Å |
| 24 | I | 92.7 | Very high | 84.9 | Confident | 37 Ų | 37 | 57.3 Ų | 57.3 | 19% | 0.19 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -74.5 | -49.3 | -171.3 | -60.5 | -66.9 | 0 | 0 | 0 | 111.8 | T20 I21 Y40 K42 I55 | T20-I24 HydrophobicContact CG2-CG1 4.3Å; T20-I24 VanDerWaalsContact O-CG1 3.22Å; T20-I24 WeakPolarHBondContact O-CG1 3.22Å; T20-I24 PolarHBondContact O-N 3.09Å; I21-I24 PolarHBondContact O-N 3.36Å; I21-I24 VanDerWaalsContact O-N 3.16Å; I24-Y40 HydrophobicContact CG1-CD1 4.47Å; I24-Y40 HydrophobicContact CG1-CG 4.3Å; I24-K42 HydrophobicContact CD1-CB 3.45Å; I24-K42 VanDerWaalsContact CD1-CB 3.45Å; I24-K42 HydrophobicContact CD1-CD 4.21Å; I24-K42 HydrophobicContact CD1-CG 4.38Å; I24-I55 HydrophobicContact CD1-CD1 4.19Å |
| 25 | Q | 89.1 | Confident | 83.4 | Confident | 114 Ų | 114 | 58.4 Ų | 58.4 | 53% | 0.533 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -105 | -8.2 | -167.4 | -59.1 | -177 | -0.9 | 0 | 0 | 113.4 | I21 H27 | I21-Q25 HydrophobicContact CG2-CB 4.36Å; I21-Q25 HydrophobicContact CG2-CG 4.39Å; I21-Q25 WeakPolarHBondContact O-CB 3.38Å; I21-Q25 PolarHBondContact O-N 2.71Å; Q25-H27 HydrophobicContact CB-CB 4.18Å; Q25-H27 PolarHBondContact O-N 3.44Å |
| 26 | N | 88.4 | Confident | 82.2 | Confident | 85 Ų | 85 | 64.8 Ų | 64.8 | 46% | 0.455 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 51.6 | 35.7 | -169.7 | -56.1 | -60.7 | 0 | 0 | 0 | 112.3 | Q22 R149 | Q22-N26 VanDerWaalsContact O-CA 3.29Å; Q22-N26 WeakPolarHBondContact O-CA 3.3Å; Q22-N26 PolarHBondContact O-N 3.44Å; Q22-N26 VanDerWaalsContact O-N 3.13Å; N26-R149 PolarHBondContact OD1-NH1 3.49Å; N26-R149 PolarHBondContact OD1-NH2 3.45Å; N26-R149 VanDerWaalsContact OD1-NH2 3.08Å |
| 27 | H | 83.3 | Confident | 81.1 | Confident | 106 Ų | 106 | 68.2 Ų | 68.2 | 49% | 0.491 | 35% | 0.347 | S | S | . | . | trans | -132.6 | 143.1 | -178.9 | -175.6 | 54.2 | 0 | 0 | 0 | 109.9 | Q22 Q25 | Q22-H27 WeakPolarHBondContact CA-O 3.46Å; Q22-H27 PolarHBondContact OE1-O 2.85Å; Q25-H27 HydrophobicContact CB-CB 4.18Å; Q25-H27 PolarHBondContact O-N 3.44Å | ||
| 28 | F | 80.4 | Confident | 80.6 | Confident | 54 Ų | 54 | 71.8 Ų | 71.8 | 24% | 0.237 | 37% | 0.366 | C | S | . | . | trans | -109.2 | 124.3 | 172.6 | 179.2 | -107 | 0 | 0 | 0 | 108.9 | A18 D30 A146 K147 | A18-F28 HydrophobicContact CB-CE2 4.2Å; F28-D30 WeakPolarHBondContact CE1-OD1 3.39Å; F28-A146 HydrophobicContact CD2-CB 4.29Å; F28-A146 WeakPolarHBondContact CD2-O 3.33Å; F28-A146 HydrophobicContact CE2-CB 4.22Å; F28-K147 HydrophobicContact CD1-CB 4.41Å; F28-K147 HydrophobicContact CD1-CG 4.13Å; F28-K147 HydrophobicContact CD2-CB 4.37Å; F28-K147 HydrophobicContact CE1-CB 4.15Å; F28-K147 HydrophobicContact CE1-CD 4.4Å; F28-K147 HydrophobicContact CE1-CG 3.93Å; F28-K147 HydrophobicContact CE2-CB 4.14Å; F28-K147 HydrophobicContact CZ-CB 4.03Å; F28-K147 HydrophobicContact CZ-CG 4.3Å | ||
| 29 | V | 74.7 | Confident | 80.3 | Confident | 65 Ų | 65 | 74.3 Ų | 74.3 | 39% | 0.394 | 38% | 0.382 | S | S | . | . | trans | -99.8 | 115.8 | 178.8 | -170.5 | 0 | 0 | 0 | 0 | 108.3 | I21 E31 | I21-V29 HydrophobicContact CG2-CG2 4.24Å; V29-E31 WeakPolarHBondContact CG1-O 3.37Å | ||
| 30 | D | 70.1 | Confident | 80.1 | Confident | 134 Ų | 134 | 76.4 Ų | 76.4 | 72% | 0.717 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -73.2 | -32.3 | 178.9 | -91 | -47.6 | 0 | 0 | 0 | 112.4 | F28 | F28-D30 WeakPolarHBondContact CE1-OD1 3.39Š|
| 31 | E | 66.8 | Low | 80.1 | Confident | 178 Ų | 178 | 83.4 Ų | 83.4 | 83% | 0.832 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -89.2 | 120.3 | 177.2 | -70.1 | -177.1 | 179.9 | 0 | 0 | 110.6 | V29 | V29-E31 WeakPolarHBondContact CG1-O 3.37Š|
| 32 | Y | 61.2 | Low | 80.2 | Confident | 119 Ų | 119 | 84.1 Ų | 84.1 | 47% | 0.467 | 42% | 0.419 | S | S | . | . | trans | -111.8 | 117.2 | -175.8 | -176.9 | -98.6 | 0 | 0 | 0 | 111 | S17 P34 T35 | S17-Y32 PolarHBondContact OG-OH 3.27Å; Y32-P34 HydrophobicContact CE1-CB 4.36Å; Y32-P34 HydrophobicContact CE1-CG 4.39Å; Y32-T35 PolarHBondContact OH-N 3.29Å; Y32-T35 PolarHBondContact OH-OG1 3.11Å | ||
| 33 | D | 65.2 | Low | 80.3 | Confident | 140 Ų | 140 | 89.4 Ų | 89.4 | 75% | 0.749 | 44% | 0.443 | S | S | * | . | trans | -88.7 | 125.8 | 162.2 | -163.3 | -4.4 | 0 | 0 | 0 | 108.1 | T35 | D33-T35 PolarHBondContact O-N 3.02Š| ||
| 34 | P | 66.8 | Low | 80.4 | Confident | 87 Ų | 87 | 89.9 Ų | 89.9 | 57% | 0.565 | 45% | 0.446 | S | S | * | . | trans | -50.4 | 113.1 | 176.3 | -29.4 | 36.4 | 0 | 0 | 0 | 113.6 | Y32 | Y32-P34 HydrophobicContact CE1-CB 4.36Å; Y32-P34 HydrophobicContact CE1-CG 4.39Å | ||
| 35 | T | 64.4 | Low | 80.6 | Confident | 22 Ų | 22 | 92.3 Ų | 92.3 | 14% | 0.135 | 46% | 0.462 | C | S | . | . | trans | -60.7 | 140.5 | 175.5 | -49.4 | 0 | 0 | 0 | 0 | 111.8 | S17 Y32 D33 D38 A59 | S17-T35 PolarHBondContact OG-OG1 2.76Å; Y32-T35 PolarHBondContact OH-N 3.29Å; Y32-T35 PolarHBondContact OH-OG1 3.11Å; D33-T35 PolarHBondContact O-N 3.02Å; T35-D38 HydrophobicContact CG2-CB 4.44Å; T35-A59 VanDerWaalsContact O-CB 3.27Å; T35-A59 WeakPolarHBondContact O-CB 3.46Å | ||
| 36 | I | 69.1 | Low | 81 | Confident | 147 Ų | 147 | 86.9 Ų | 86.9 | 75% | 0.754 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -88 | -68 | 168.2 | -60.5 | 175.1 | 0 | 0 | 0 | 108.6 | A59 | I36-A59 WeakPolarHBondContact O-CB 3.31Å; I36-A59 PolarHBondContact O-N 3.13Å |
| 37 | E | 69.5 | Low | 81.3 | Confident | 78 Ų | 78 | 87.7 Ų | 87.7 | 36% | 0.364 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 130.8 | 171 | -176.7 | -176.6 | 101.5 | 0 | 0 | 106.7 | L56 D57 | E37-L56 HydrophobicContact CG-CD1 3.7Å; E37-L56 HydrophobicContact CG-CG 4.24Å; E37-D57 WeakPolarHBondContact CA-O 3.5Å |
| 38 | D | 82.8 | Confident | 81.9 | Confident | 78 Ų | 78 | 86 Ų | 86 | 42% | 0.417 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 139.9 | 177.8 | -82.4 | -48.3 | 0 | 0 | 0 | 111.5 | T35 Y40 D57 | T35-D38 HydrophobicContact CG2-CB 4.44Å; D38-Y40 HydrophobicContact CB-CD2 4.34Å; D38-Y40 HydrophobicContact CB-CE2 3.49Å; D38-Y40 VanDerWaalsContact CB-CE2 3.49Å; D38-D57 PolarHBondContact N-O 3.08Å; D38-D57 VanDerWaalsContact N-O 3.13Å; D38-D57 PolarHBondContact O-N 3.46Å |
| 39 | S | 87.9 | Confident | 82.6 | Confident | 72 Ų | 72 | 87 Ų | 87 | 50% | 0.503 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 129.1 | 174.9 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | D54 I55 | S39-D54 PolarHBondContact OG-OD1 2.93Å; S39-I55 CarbonylContact C-O 3.53Å; S39-I55 WeakPolarHBondContact CA-O 3.43Å |
| 40 | Y | 92.7 | Very high | 83.7 | Confident | 46 Ų | 46 | 86.9 Ų | 86.9 | 18% | 0.18 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 141.9 | 179.8 | -58.9 | -88.7 | 0 | 0 | 0 | 111 | T20 I24 D38 I55 D57 | T20-Y40 HydrophobicContact CG2-CD2 3.37Å; T20-Y40 HydrophobicContact CG2-CE2 3.88Å; T20-Y40 HydrophobicContact CG2-CG 3.89Å; I24-Y40 HydrophobicContact CG1-CD1 4.47Å; I24-Y40 HydrophobicContact CG1-CG 4.3Å; D38-Y40 HydrophobicContact CB-CD2 4.34Å; D38-Y40 HydrophobicContact CB-CE2 3.49Å; D38-Y40 VanDerWaalsContact CB-CE2 3.49Å; Y40-I55 PolarHBondContact N-O 3.03Å; Y40-I55 PolarHBondContact O-N 3.42Å; Y40-D57 HydrophobicContact CE2-CB 4.14Å |
| 41 | R | 94.9 | Very high | 85 | Confident | 147 Ų | 147 | 80.5 Ų | 80.5 | 56% | 0.555 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132.6 | 178.8 | -68.2 | 177.9 | 173.2 | -148.7 | -18.1 | 111.6 | E3 L52 L53 D54 | E3-R41 IonicContact OE1-CZ 2.79Å; E3-R41 IonicContact OE1-NH2 2.64Å; E3-R41 PolarHBondContact OE1-NH2 3.38Å; R41-L52 HydrophobicContact CB-CD1 4.34Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.39Å; R41-D54 HydrophobicContact CG-CB 4.46Å; R41-D54 IonicContact CZ-OD2 3.34Å; R41-D54 IonicContact NE-OD1 3.99Å; R41-D54 PolarHBondContact NE-OD1 3.35Å; R41-D54 IonicContact NE-OD2 3.01Å; R41-D54 IonicContact NH2-OD1 3.47Å; R41-D54 IonicContact NH2-OD2 2.82Å; R41-D54 PolarHBondContact NH2-OD2 2.96Å |
| 42 | K | 94.5 | Very high | 86.5 | Confident | 44 Ų | 44 | 73.8 Ų | 73.8 | 19% | 0.191 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 128.7 | 174.9 | -175.1 | -176.5 | -174 | -179.6 | 0 | 111.4 | L23 I24 V44 L53 | L23-K42 HydrophobicContact CG-CD 4.47Å; L23-K42 PolarHBondContact O-NZ 3.26Å; I24-K42 HydrophobicContact CD1-CB 3.45Å; I24-K42 VanDerWaalsContact CD1-CB 3.45Å; I24-K42 HydrophobicContact CD1-CD 4.21Å; I24-K42 HydrophobicContact CD1-CG 4.38Å; K42-V44 HydrophobicContact CD-CG1 3.75Å; K42-V44 HydrophobicContact CG-CG1 3.78Å; K42-L53 PolarHBondContact N-O 3.41Å; K42-L53 PolarHBondContact O-N 3.41Å |
| 43 | Q | 97 | Very high | 88.2 | Confident | 123 Ų | 123 | 68.1 Ų | 68.1 | 58% | 0.575 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 128.8 | 168.6 | -174.3 | 176.3 | -2.2 | 0 | 0 | 109.4 | M1 T50 C51 | M1-Q43 HydrophobicContact CE-CB 4.2Å; M1-Q43 HydrophobicContact CE-CG 3.81Å; M1-Q43 HydrophobicContact SD-CG 3.87Å; M1-Q43 PolarHBondContact SD-NE2 3.07Å; M1-Q43 VanDerWaalsContact SD-NE2 3.44Å; Q43-T50 HydrophobicContact CG-CG2 3.91Å; Q43-C51 WeakPolarHBondContact CA-O 3.38Å |
| 44 | V | 96.6 | Very high | 89.8 | Confident | 11 Ų | 11 | 62.5 Ų | 62.5 | 7% | 0.067 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 164.3 | -178.9 | -63 | 0 | 0 | 0 | 0 | 110.1 | K42 I46 T50 C51 L53 Y157 | K42-V44 HydrophobicContact CD-CG1 3.75Å; K42-V44 HydrophobicContact CG-CG1 3.78Å; V44-I46 HydrophobicContact CG2-CD1 3.73Å; V44-I46 HydrophobicContact CG2-CG1 3.78Å; V44-T50 WeakPolarHBondContact O-CA 3.1Å; V44-C51 PolarHBondContact N-O 2.94Å; V44-C51 PolarHBondContact O-N 2.88Å; V44-L53 HydrophobicContact CG1-CD1 4.32Å; V44-L53 HydrophobicContact CG2-CD1 3.85Å; V44-L53 HydrophobicContact CG2-CD2 4.04Å; V44-L53 HydrophobicContact CG2-CG 3.72Å; V44-Y157 HydrophobicContact CB-CE1 4.38Å; V44-Y157 HydrophobicContact CG1-CE1 4.4Å; V44-Y157 HydrophobicContact CG2-CE1 4.26Å |
| 45 | V | 97.1 | Very high | 91.2 | Very high | 88 Ų | 88 | 58.3 Ų | 58.3 | 53% | 0.533 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 115.1 | 171 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | E49 | V45-E49 WeakPolarHBondContact CA-O 3.49Å |
| 46 | I | 96.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 115.5 | -179.8 | -58 | 172 | 0 | 0 | 0 | 108.3 | V44 G48 E49 L53 Y157 V160 R164 | V44-I46 HydrophobicContact CG2-CD1 3.73Å; V44-I46 HydrophobicContact CG2-CG1 3.78Å; I46-G48 VanDerWaalsContact C-N 3.27Å; I46-G48 PolarHBondContact O-N 3.48Å; I46-E49 PolarHBondContact N-O 2.95Å; I46-E49 PolarHBondContact O-N 3.47Å; I46-L53 HydrophobicContact CD1-CD2 4.19Å; I46-Y157 HydrophobicContact CD1-CD1 3.4Å; I46-Y157 HydrophobicContact CD1-CE1 3.83Å; I46-Y157 HydrophobicContact CD1-CG 3.91Å; I46-Y157 HydrophobicContact CG1-CD1 3.7Å; I46-Y157 HydrophobicContact CG1-CD2 4.21Å; I46-Y157 HydrophobicContact CG1-CE1 3.88Å; I46-Y157 HydrophobicContact CG1-CE2 4.36Å; I46-Y157 HydrophobicContact CG1-CG 3.88Å; I46-Y157 HydrophobicContact CG2-CG 4.34Å; I46-V160 HydrophobicContact CD1-CB 3.89Å; I46-V160 HydrophobicContact CD1-CG1 3.91Å; I46-V160 HydrophobicContact CD1-CG2 3.76Å; I46-R164 PolarHBondContact O-NH1 3.3Å; I46-R164 PolarHBondContact O-NH2 2.77Å |
| 47 | D | 95.9 | Very high | 93.6 | Very high | 102 Ų | 102 | 51.5 Ų | 51.5 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 39 | -177.9 | -48.8 | -37.2 | 0 | 0 | 0 | 112.8 | E49 R161 R164 | D47-E49 VanDerWaalsContact C-N 3.28Å; D47-E49 PolarHBondContact O-N 3.28Å; D47-R161 IonicContact OD1-CZ 3.87Å; D47-R161 IonicContact OD1-NE 3.33Å; D47-R161 PolarHBondContact OD1-NE 3.44Å; D47-R161 IonicContact OD1-NH2 2.77Å; D47-R161 PolarHBondContact OD1-NH2 3.29Å; D47-R161 IonicContact OD2-CZ 3.41Å; D47-R161 IonicContact OD2-NE 2.82Å; D47-R161 PolarHBondContact OD2-NE 2.69Å; D47-R161 IonicContact OD2-NH2 3.7Å; D47-R164 IonicContact OD2-NH1 2.76Å; D47-R164 PolarHBondContact OD2-NH1 3.47Å |
| 48 | G | 95.3 | Very high | 94.4 | Very high | 71 Ų | 71 | 47.9 Ų | 47.9 | 73% | 0.732 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | -5.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | I46 | I46-G48 VanDerWaalsContact C-N 3.27Å; I46-G48 PolarHBondContact O-N 3.48Å |
| 49 | E | 95.9 | Very high | 94 | Very high | 75 Ų | 75 | 45 Ų | 45 | 35% | 0.35 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 126.5 | 175.7 | -172.7 | -166.4 | 170.1 | 0 | 0 | 111.1 | T2 V45 I46 D47 R164 | T2-E49 PolarHBondContact OG1-OE1 3.3Å; V45-E49 WeakPolarHBondContact CA-O 3.49Å; I46-E49 PolarHBondContact N-O 2.95Å; I46-E49 PolarHBondContact O-N 3.47Å; D47-E49 VanDerWaalsContact C-N 3.28Å; D47-E49 PolarHBondContact O-N 3.28Å; E49-R164 IonicContact OE2-CZ 3.45Å; E49-R164 VanDerWaalsContact OE2-CZ 3.27Å; E49-R164 IonicContact OE2-NE 3.27Å; E49-R164 PolarHBondContact OE2-NE 3.49Å; E49-R164 IonicContact OE2-NH2 3.49Å; E49-R164 PolarHBondContact OE2-NH2 3.36Å |
| 50 | T | 97.1 | Very high | 92.9 | Very high | 62 Ų | 62 | 42.2 Ų | 42.2 | 38% | 0.38 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 122.4 | 173.6 | -55.2 | 0 | 0 | 0 | 0 | 111 | M1 Q43 V44 | M1-T50 HydrophobicContact CG-CG2 4.48Å; M1-T50 HydrophobicContact SD-CG2 3.96Å; Q43-T50 HydrophobicContact CG-CG2 3.91Å; V44-T50 WeakPolarHBondContact O-CA 3.1Å |
| 51 | C | 97.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 161 | 178.9 | 62 | 0 | 0 | 0 | 0 | 112.8 | T2 Y4 Q43 V44 | T2-C51 CarbonylContact O-C 3.57Å; T2-C51 VanDerWaalsContact O-CA 3.22Å; T2-C51 WeakPolarHBondContact O-CA 3.29Å; T2-C51 VanDerWaalsContact O-CB 3.28Å; T2-C51 WeakPolarHBondContact O-CB 3.26Å; Y4-C51 HydrophobicContact CD2-CB 3.78Å; Y4-C51 HydrophobicContact CE2-CB 3.57Å; Q43-C51 WeakPolarHBondContact CA-O 3.38Å; V44-C51 PolarHBondContact N-O 2.94Å; V44-C51 PolarHBondContact O-N 2.88Å |
| 52 | L | 97.9 | Very high | 89.8 | Confident | 36 Ų | 36 | 41.7 Ų | 41.7 | 19% | 0.188 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 126.2 | 169.5 | -167.2 | 60.6 | 0 | 0 | 0 | 109.2 | M1 T2 E3 Y4 R41 | M1-L52 HydrophobicContact CE-CB 3.53Å; M1-L52 HydrophobicContact CE-CD1 3.86Å; M1-L52 HydrophobicContact CE-CD2 4.48Å; M1-L52 HydrophobicContact CE-CG 4.16Å; T2-L52 PolarHBondContact O-N 2.96Å; E3-L52 CarbonylContact C-O 3.25Å; E3-L52 WeakPolarHBondContact CA-O 3.45Å; E3-L52 HydrophobicContact CB-CB 4.3Å; E3-L52 HydrophobicContact CG-CB 4.27Å; E3-L52 HydrophobicContact CG-CD2 4.21Å; E3-L52 HydrophobicContact CG-CG 4.48Å; Y4-L52 PolarHBondContact N-O 2.9Å; R41-L52 HydrophobicContact CB-CD1 4.34Å |
| 53 | L | 98 | Very high | 87.8 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 124.9 | 164.8 | -50.1 | -175.1 | 0 | 0 | 0 | 107.9 | Y4 L6 L23 R41 K42 V44 I46 I55 Y157 V160 | Y4-L53 HydrophobicContact CD2-CD2 4.42Å; L6-L53 HydrophobicContact CD1-CD1 4.46Å; L6-L53 HydrophobicContact CD1-CD2 4.24Å; L23-L53 HydrophobicContact CD2-CD1 4.13Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.39Å; K42-L53 PolarHBondContact N-O 3.41Å; K42-L53 PolarHBondContact O-N 3.41Å; V44-L53 HydrophobicContact CG1-CD1 4.32Å; V44-L53 HydrophobicContact CG2-CD1 3.85Å; V44-L53 HydrophobicContact CG2-CD2 4.04Å; V44-L53 HydrophobicContact CG2-CG 3.72Å; I46-L53 HydrophobicContact CD1-CD2 4.19Å; L53-I55 HydrophobicContact CB-CD1 4.14Å; L53-I55 HydrophobicContact CB-CG1 3.97Å; L53-I55 HydrophobicContact CD1-CD1 4.42Å; L53-Y157 HydrophobicContact CD1-CE1 4.46Å; L53-V160 HydrophobicContact CD2-CG2 3.65Å |
| 54 | D | 97.2 | Very high | 85.9 | Confident | 22 Ų | 22 | 51 Ų | 51 | 12% | 0.118 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 100.5 | 168.6 | -168.2 | 7.9 | 0 | 0 | 0 | 107.4 | E3 Y4 K5 L6 S39 R41 | E3-D54 HydrophobicContact CG-CB 4.31Å; Y4-D54 PolarHBondContact O-N 3.33Å; K5-D54 CarbonylContact C-O 3.57Å; K5-D54 WeakPolarHBondContact CA-O 3.4Å; K5-D54 HydrophobicContact CG-CB 4.36Å; L6-D54 PolarHBondContact N-O 3.2Å; S39-D54 PolarHBondContact OG-OD1 2.93Å; R41-D54 HydrophobicContact CG-CB 4.46Å; R41-D54 IonicContact CZ-OD2 3.34Å; R41-D54 IonicContact NE-OD1 3.99Å; R41-D54 PolarHBondContact NE-OD1 3.35Å; R41-D54 IonicContact NE-OD2 3.01Å; R41-D54 IonicContact NH2-OD1 3.47Å; R41-D54 IonicContact NH2-OD2 2.82Å; R41-D54 PolarHBondContact NH2-OD2 2.96Å |
| 55 | I | 96.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 120.7 | -168 | -53.1 | 175.3 | 0 | 0 | 0 | 108.7 | L6 V8 T20 L23 I24 S39 Y40 L53 F156 | L6-I55 HydrophobicContact CB-CG1 4.39Å; L6-I55 HydrophobicContact CD1-CG1 4.41Å; L6-I55 CarbonylContact O-C 3.51Å; L6-I55 WeakPolarHBondContact O-CA 3.1Å; V8-I55 HydrophobicContact CG2-CG2 3.86Å; T20-I55 HydrophobicContact CG2-CB 4.35Å; T20-I55 HydrophobicContact CG2-CG2 3.8Å; L23-I55 HydrophobicContact CD2-CD1 3.5Å; L23-I55 VanDerWaalsContact CD2-CD1 3.5Å; I24-I55 HydrophobicContact CD1-CD1 4.19Å; S39-I55 CarbonylContact C-O 3.53Å; S39-I55 WeakPolarHBondContact CA-O 3.43Å; Y40-I55 PolarHBondContact N-O 3.03Å; Y40-I55 PolarHBondContact O-N 3.42Å; L53-I55 HydrophobicContact CB-CD1 4.14Å; L53-I55 HydrophobicContact CB-CG1 3.97Å; L53-I55 HydrophobicContact CD1-CD1 4.42Å; I55-F156 HydrophobicContact CD1-CD1 3.99Å; I55-F156 HydrophobicContact CD1-CE1 3.83Å; I55-F156 HydrophobicContact CG1-CE1 4.45Å; I55-F156 HydrophobicContact CG2-CE1 3.93Å |
| 56 | L | 94.3 | Very high | 82.9 | Confident | 26 Ų | 26 | 54.1 Ų | 54.1 | 14% | 0.136 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 119 | 170.3 | -168.3 | 73.5 | 0 | 0 | 0 | 110.3 | L6 V7 V8 E37 T58 Y71 | L6-L56 PolarHBondContact O-N 2.82Å; V7-L56 HydrophobicContact CG1-CD2 4.44Å; V7-L56 HydrophobicContact CG2-CB 4.37Å; V8-L56 PolarHBondContact N-O 3.16Å; E37-L56 HydrophobicContact CG-CD1 3.7Å; E37-L56 HydrophobicContact CG-CG 4.24Å; L56-T58 HydrophobicContact CD2-CG2 4.34Å; L56-T58 HydrophobicContact CG-CG2 4.49Å; L56-Y71 HydrophobicContact CD2-CD1 3.88Å; L56-Y71 HydrophobicContact CD2-CD2 4.43Å; L56-Y71 HydrophobicContact CD2-CG 3.62Å |
| 57 | D | 89.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 120.7 | 170.2 | -176.6 | 42.1 | 0 | 0 | 0 | 109.8 | K16 S17 E37 D38 Y40 | K16-D57 VanDerWaalsContact CB-OD1 3.22Å; K16-D57 WeakPolarHBondContact CB-OD1 3.25Å; S17-D57 WeakPolarHBondContact CA-OD2 3.34Å; S17-D57 WeakPolarHBondContact CB-OD2 3.29Å; S17-D57 PolarHBondContact N-OD1 3.22Å; S17-D57 PolarHBondContact OG-OD2 2.71Å; E37-D57 WeakPolarHBondContact CA-O 3.5Å; D38-D57 PolarHBondContact N-O 3.08Å; D38-D57 VanDerWaalsContact N-O 3.13Å; D38-D57 PolarHBondContact O-N 3.46Å; Y40-D57 HydrophobicContact CE2-CB 4.14Å |
| 58 | T | 85.9 | Confident | 80.4 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 150 | -174.4 | 78.8 | 0 | 0 | 0 | 0 | 112.3 | V7 V8 K16 L56 G60 Y71 | V7-T58 HydrophobicContact CG1-CG2 3.81Å; V8-T58 PolarHBondContact O-OG1 2.65Å; K16-T58 WeakPolarHBondContact CE-O 3.32Å; K16-T58 PolarHBondContact NZ-O 2.99Å; L56-T58 HydrophobicContact CD2-CG2 4.34Å; L56-T58 HydrophobicContact CG-CG2 4.49Å; T58-G60 PolarHBondContact O-N 3.25Å; T58-Y71 HydrophobicContact CG2-CD1 4.39Å; T58-Y71 HydrophobicContact CG2-CD2 4.25Å; T58-Y71 HydrophobicContact CG2-CE1 4.01Å; T58-Y71 HydrophobicContact CG2-CE2 3.92Å; T58-Y71 HydrophobicContact CG2-CG 4.5Å |
| 59 | A | 76 | Confident | 79.8 | Confident | 17 Ų | 17 | 56.5 Ų | 56.5 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -65 | 128.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109 | T35 I36 Q61 E62 | T35-A59 VanDerWaalsContact O-CB 3.27Å; T35-A59 WeakPolarHBondContact O-CB 3.46Å; I36-A59 WeakPolarHBondContact O-CB 3.31Å; I36-A59 PolarHBondContact O-N 3.13Å; A59-Q61 PolarHBondContact O-N 2.63Å; A59-E62 HydrophobicContact CB-CG 3.83Å; A59-E62 PolarHBondContact N-OE1 2.9Å |
| 60 | G | 63.4 | Low | 79.3 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 16% | 0.155 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 9.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G10 G12 T58 | G10-G60 WeakPolarHBondContact O-CA 3.49Å; G12-G60 PolarHBondContact N-O 2.77Å; T58-G60 PolarHBondContact O-N 3.25Å |
| 61 | Q | 61.7 | Low | 78.6 | Confident | 150 Ų | 150 | 56.9 Ų | 56.9 | 70% | 0.701 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136 | 29.5 | -169 | -69.9 | -171.3 | -16.9 | 0 | 0 | 112.6 | A59 E63 | A59-Q61 PolarHBondContact O-N 2.63Å; Q61-E63 PolarHBondContact O-N 3.16Å |
| 62 | E | 61 | Low | 78.2 | Confident | 32 Ų | 32 | 56.9 Ų | 56.9 | 15% | 0.15 | 29% | 0.293 | C | S | . | . | trans | -73.5 | 105 | -174.4 | -71.1 | 169.1 | -161.7 | 0 | 0 | 112.3 | A59 Y64 R68 Y71 | A59-E62 HydrophobicContact CB-CG 3.83Å; A59-E62 PolarHBondContact N-OE1 2.9Å; E62-Y64 PolarHBondContact O-N 2.92Å; E62-R68 PolarHBondContact O-NH2 2.91Å; E62-Y71 VanDerWaalsContact OE2-CE1 3.23Å; E62-Y71 WeakPolarHBondContact OE2-CE1 3.28Å; E62-Y71 PolarHBondContact OE2-OH 3.05Å | ||
| 63 | E | 52.6 | Low | 77.9 | Confident | 181 Ų | 181 | 63.3 Ų | 63.3 | 85% | 0.846 | 31% | 0.314 | S | S | * | . | trans | -72.8 | -8.3 | 173.7 | -68.1 | 162.1 | 172.8 | 0 | 0 | 112.6 | Q61 | Q61-E63 PolarHBondContact O-N 3.16Š| ||
| 64 | Y | 57.7 | Low | 77.6 | Confident | 182 Ų | 182 | 67 Ų | 67 | 71% | 0.714 | 34% | 0.337 | S | S | * | . | trans | -107.7 | 107.5 | -178.2 | -71.5 | -82.6 | 0 | 0 | 0 | 112.7 | E62 A66 | E62-Y64 PolarHBondContact O-N 2.92Å; Y64-A66 PolarHBondContact O-N 2.87Å | ||
| 65 | S | 64.3 | Low | 77.5 | Confident | 89 Ų | 89 | 66 Ų | 66 | 62% | 0.622 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.3 | -27.2 | -175.4 | 55.3 | 0 | 0 | 0 | 0 | 115.4 | R68 D69 | S65-R68 WeakPolarHBondContact O-CB 3.35Å; S65-D69 PolarHBondContact O-N 3.47Å |
| 66 | A | 65.8 | Low | 77.6 | Confident | 74 Ų | 74 | 68.5 Ų | 68.5 | 61% | 0.612 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -74.1 | -38.7 | -173 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y64 R68 Q70 | Y64-A66 PolarHBondContact O-N 2.87Å; A66-R68 VanDerWaalsContact C-N 3.31Å; A66-Q70 PolarHBondContact O-N 2.8Å |
| 67 | M | 66.6 | Low | 77.7 | Confident | 115 Ų | 115 | 67.2 Ų | 67.2 | 57% | 0.567 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -69.8 | -35.8 | 176.2 | -63.2 | -173.5 | 81.8 | 0 | 0 | 110.6 | D69 Q70 Y71 | M67-D69 PolarHBondContact O-N 3.06Å; M67-Q70 WeakPolarHBondContact O-CB 3.47Å; M67-Q70 PolarHBondContact O-N 3.21Å; M67-Q70 VanDerWaalsContact O-N 3.1Å; M67-Y71 WeakPolarHBondContact O-CD1 3.29Å; M67-Y71 PolarHBondContact O-N 3.2Å |
| 68 | R | 74.4 | Confident | 78.1 | Confident | 41 Ų | 41 | 67.2 Ų | 67.2 | 16% | 0.155 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -55.7 | -47.7 | 173.8 | -179.7 | 176.5 | -56.5 | -163.2 | 7.7 | 113.4 | E62 S65 A66 Q70 Y71 M72 | E62-R68 PolarHBondContact O-NH2 2.91Å; S65-R68 WeakPolarHBondContact O-CB 3.35Å; A66-R68 VanDerWaalsContact C-N 3.31Å; R68-Q70 PolarHBondContact O-N 2.67Å; R68-Y71 VanDerWaalsContact CA-CE1 3.45Å; R68-Y71 VanDerWaalsContact CA-CZ 3.46Å; R68-Y71 HydrophobicContact CB-CE1 4.31Å; R68-Y71 HydrophobicContact CG-CE2 4.14Å; R68-Y71 WeakPolarHBondContact CG-OH 3.15Å; R68-Y71 WeakPolarHBondContact O-CD2 3.4Å; R68-Y71 WeakPolarHBondContact O-CE2 3.47Å; R68-M72 HydrophobicContact CG-CE 3.58Å; R68-M72 HydrophobicContact CG-SD 4.06Å; R68-M72 WeakPolarHBondContact O-CG 3.09Å; R68-M72 PolarHBondContact O-N 3.32Å |
| 69 | D | 82.8 | Confident | 78.7 | Confident | 68 Ų | 68 | 67.2 Ų | 67.2 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.2 | -28.6 | 179.2 | -73.8 | 0.6 | 0 | 0 | 0 | 112.4 | S65 M67 R73 V103 | S65-D69 PolarHBondContact O-N 3.47Å; M67-D69 PolarHBondContact O-N 3.06Å; D69-R73 VanDerWaalsContact O-CB 3.25Å; D69-R73 WeakPolarHBondContact O-CB 3.43Å; D69-R73 PolarHBondContact O-N 3.48Å; D69-V103 HydrophobicContact CB-CG2 4.34Å; D69-V103 WeakPolarHBondContact O-CG1 2.93Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.07Å |
| 70 | Q | 83.9 | Confident | 79.8 | Confident | 136 Ų | 136 | 66.5 Ų | 66.5 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -67.3 | -51.8 | -178.4 | -177.5 | 176.8 | -31.7 | 0 | 0 | 111.6 | A66 M67 R68 R73 T74 | A66-Q70 PolarHBondContact O-N 2.8Å; M67-Q70 WeakPolarHBondContact O-CB 3.47Å; M67-Q70 PolarHBondContact O-N 3.21Å; M67-Q70 VanDerWaalsContact O-N 3.1Å; R68-Q70 PolarHBondContact O-N 2.67Å; Q70-R73 WeakPolarHBondContact O-CB 3.48Å; Q70-R73 PolarHBondContact O-N 3.33Å; Q70-T74 PolarHBondContact O-N 2.98Å; Q70-T74 VanDerWaalsContact O-N 3.09Å; Q70-T74 PolarHBondContact O-OG1 3.15Å |
| 71 | Y | 84.2 | Confident | 81.4 | Confident | 9 Ų | 9 | 65.8 Ų | 65.8 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.2 | -31.8 | 179.7 | 57.5 | -115.3 | 0 | 0 | 0 | 112.9 | V7 L56 T58 E62 M67 R68 R73 T74 G75 | V7-Y71 HydrophobicContact CG1-CD2 3.84Å; V7-Y71 HydrophobicContact CG1-CE2 4.34Å; L56-Y71 HydrophobicContact CD2-CD1 3.88Å; L56-Y71 HydrophobicContact CD2-CD2 4.43Å; L56-Y71 HydrophobicContact CD2-CG 3.62Å; T58-Y71 HydrophobicContact CG2-CD1 4.39Å; T58-Y71 HydrophobicContact CG2-CD2 4.25Å; T58-Y71 HydrophobicContact CG2-CE1 4.01Å; T58-Y71 HydrophobicContact CG2-CE2 3.92Å; T58-Y71 HydrophobicContact CG2-CG 4.5Å; E62-Y71 VanDerWaalsContact OE2-CE1 3.23Å; E62-Y71 WeakPolarHBondContact OE2-CE1 3.28Å; E62-Y71 PolarHBondContact OE2-OH 3.05Å; M67-Y71 WeakPolarHBondContact O-CD1 3.29Å; M67-Y71 PolarHBondContact O-N 3.2Å; R68-Y71 VanDerWaalsContact CA-CE1 3.45Å; R68-Y71 VanDerWaalsContact CA-CZ 3.46Å; R68-Y71 HydrophobicContact CB-CE1 4.31Å; R68-Y71 HydrophobicContact CG-CE2 4.14Å; R68-Y71 WeakPolarHBondContact CG-OH 3.15Å; R68-Y71 WeakPolarHBondContact O-CD2 3.4Å; R68-Y71 WeakPolarHBondContact O-CE2 3.47Å; Y71-R73 PolarHBondContact O-N 3.26Å; Y71-T74 PolarHBondContact O-N 3.5Å; Y71-T74 PolarHBondContact O-OG1 2.91Å; Y71-G75 PolarHBondContact O-N 3.35Å |
| 72 | M | 88.4 | Confident | 83.2 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.8 | -34.4 | 172.4 | -71.6 | -176.8 | -178.7 | 0 | 0 | 110.8 | R68 F78 Q99 I100 V103 K104 | R68-M72 HydrophobicContact CG-CE 3.58Å; R68-M72 HydrophobicContact CG-SD 4.06Å; R68-M72 WeakPolarHBondContact O-CG 3.09Å; R68-M72 PolarHBondContact O-N 3.32Å; M72-F78 HydrophobicContact CB-CE1 4.47Å; M72-F78 HydrophobicContact CG-CE1 4.32Å; M72-F78 WeakPolarHBondContact O-CZ 3.38Å; M72-Q99 HydrophobicContact CE-CB 3.97Å; M72-Q99 HydrophobicContact SD-CB 4.05Å; M72-I100 HydrophobicContact CE-CG1 4.22Å; M72-I100 HydrophobicContact CG-CG1 4.31Å; M72-I100 HydrophobicContact SD-CG1 4.18Å; M72-V103 HydrophobicContact CB-CB 3.88Å; M72-V103 HydrophobicContact CB-CG1 3.65Å; M72-V103 HydrophobicContact CB-CG2 4.18Å; M72-V103 HydrophobicContact SD-CG2 4.03Å; M72-K104 WeakPolarHBondContact O-CD 3.41Å; M72-K104 WeakPolarHBondContact O-CE 3.28Å; M72-K104 PolarHBondContact O-NZ 3Å |
| 73 | R | 91.8 | Very high | 85 | Confident | 170 Ų | 170 | 57.1 Ų | 57.1 | 64% | 0.642 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -71.3 | -39.1 | 176.4 | -165.2 | 178.8 | -56 | -136.1 | -1.7 | 112.5 | D69 Q70 Y71 V103 K104 | D69-R73 VanDerWaalsContact O-CB 3.25Å; D69-R73 WeakPolarHBondContact O-CB 3.43Å; D69-R73 PolarHBondContact O-N 3.48Å; Q70-R73 WeakPolarHBondContact O-CB 3.48Å; Q70-R73 PolarHBondContact O-N 3.33Å; Y71-R73 PolarHBondContact O-N 3.26Å; R73-V103 HydrophobicContact CB-CG1 4.03Å; R73-K104 PolarHBondContact O-NZ 3.13Å |
| 74 | T | 91.1 | Very high | 87.1 | Confident | 79 Ų | 79 | 48.5 Ų | 48.5 | 49% | 0.485 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -87 | -24.8 | -176.3 | 58.4 | 0 | 0 | 0 | 0 | 114.6 | Q70 Y71 | Q70-T74 PolarHBondContact O-N 2.98Å; Q70-T74 VanDerWaalsContact O-N 3.09Å; Q70-T74 PolarHBondContact O-OG1 3.15Å; Y71-T74 PolarHBondContact O-N 3.5Å; Y71-T74 PolarHBondContact O-OG1 2.91Å |
| 75 | G | 95.6 | Very high | 89 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | trans | -66.8 | 131.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y71 K104 | Y71-G75 PolarHBondContact O-N 3.35Å; G75-K104 WeakPolarHBondContact O-CE 3.2Å; G75-K104 PolarHBondContact O-NZ 3.31Å | ||
| 76 | E | 97.7 | Very high | 90.6 | Very high | 51 Ų | 51 | 41.2 Ų | 41.2 | 24% | 0.238 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -84 | -25.8 | 178.9 | -68.6 | 174.6 | -96.1 | 0 | 0 | 112.8 | K5 I163 K167 | K5-E76 HydrophobicContact CB-CG 4.25Å; K5-E76 PolarHBondContact N-OE1 3.4Å; K5-E76 PolarHBondContact O-N 2.92Å; E76-I163 HydrophobicContact CB-CD1 4.02Å; E76-I163 HydrophobicContact CB-CG1 4.42Å; E76-I163 HydrophobicContact CB-CG2 4.18Å; E76-K167 WeakPolarHBondContact OE2-CE 3.33Å; E76-K167 IonicContact OE2-NZ 3.86Å; E76-K167 PolarHBondContact OE2-NZ 2.93Å |
| 77 | G | 98.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 159.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K5 V7 P110 | K5-G77 PolarHBondContact O-N 3.29Å; V7-G77 PolarHBondContact N-O 3.41Å; G77-P110 CarbonylContact C-O 3.3Å; G77-P110 VanDerWaalsContact CA-O 3.23Å; G77-P110 WeakPolarHBondContact CA-O 3.22Å |
| 78 | F | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 129.9 | -169.6 | -57.3 | -94.9 | 0 | 0 | 0 | 112.5 | V7 V9 M72 I100 V109 P110 M111 V112 | V7-F78 HydrophobicContact CB-CD1 3.72Å; V7-F78 HydrophobicContact CB-CE1 3.82Å; V7-F78 HydrophobicContact CG1-CD1 4.21Å; V7-F78 HydrophobicContact CG1-CE1 4.27Å; V7-F78 HydrophobicContact CG2-CD1 4.36Å; V7-F78 HydrophobicContact CG2-CE1 3.98Å; V7-F78 CarbonylContact O-C 3.58Å; V7-F78 WeakPolarHBondContact O-CA 3.42Å; V9-F78 HydrophobicContact CG1-CD1 4.49Å; M72-F78 HydrophobicContact CB-CE1 4.47Å; M72-F78 HydrophobicContact CG-CE1 4.32Å; M72-F78 WeakPolarHBondContact O-CZ 3.38Å; F78-I100 HydrophobicContact CB-CD1 3.74Å; F78-I100 HydrophobicContact CD1-CD1 3.6Å; F78-I100 HydrophobicContact CD1-CG1 3.87Å; F78-I100 HydrophobicContact CD1-CG2 4.33Å; F78-I100 HydrophobicContact CD2-CD1 4.27Å; F78-I100 HydrophobicContact CD2-CG2 3.64Å; F78-I100 HydrophobicContact CE1-CD1 4.34Å; F78-I100 HydrophobicContact CE1-CG1 4.1Å; F78-I100 HydrophobicContact CE1-CG2 4.26Å; F78-I100 HydrophobicContact CE2-CG2 3.55Å; F78-I100 HydrophobicContact CG-CD1 3.59Å; F78-I100 HydrophobicContact CG-CG1 4.14Å; F78-I100 HydrophobicContact CG-CG2 4.07Å; F78-I100 HydrophobicContact CZ-CG2 3.89Å; F78-V109 HydrophobicContact CD2-CG1 3.76Å; F78-V109 HydrophobicContact CE2-CG1 3.72Å; F78-P110 PolarHBondContact N-O 2.87Å; F78-M111 HydrophobicContact CB-CG 4.2Å; F78-M111 CarbonylContact O-C 3.59Å; F78-M111 VanDerWaalsContact O-CA 3.24Å; F78-M111 WeakPolarHBondContact O-CA 3.22Å; F78-V112 PolarHBondContact O-N 3.09Å |
| 79 | L | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 116.6 | 163.1 | -68.5 | -174.1 | 0 | 0 | 0 | 108.6 | V7 V8 V9 V81 V112 V114 A155 F156 L159 | V7-L79 PolarHBondContact O-N 3.41Å; V8-L79 HydrophobicContact CG1-CB 4.25Å; V8-L79 HydrophobicContact CG2-CD1 4.37Å; V9-L79 WeakPolarHBondContact CG2-O 3.36Å; V9-L79 PolarHBondContact N-O 2.86Å; V9-L79 VanDerWaalsContact O-O 3.12Å; L79-V81 HydrophobicContact CB-CG2 4.17Å; L79-V112 HydrophobicContact CD2-CB 3.79Å; L79-V112 HydrophobicContact CD2-CG1 4.28Å; L79-V112 HydrophobicContact CD2-CG2 4.48Å; L79-V114 HydrophobicContact CB-CG2 4.41Å; L79-V114 HydrophobicContact CD2-CG2 3.92Å; L79-A155 HydrophobicContact CD2-CB 4.49Å; L79-F156 HydrophobicContact CD1-CD1 3.62Å; L79-F156 HydrophobicContact CD1-CD2 4.1Å; L79-F156 HydrophobicContact CD1-CE1 3.44Å; L79-F156 VanDerWaalsContact CD1-CE1 3.44Å; L79-F156 HydrophobicContact CD1-CE2 3.95Å; L79-F156 HydrophobicContact CD1-CG 3.95Å; L79-F156 HydrophobicContact CD1-CZ 3.62Å; L79-L159 HydrophobicContact CD2-CB 4.02Å; L79-L159 HydrophobicContact CD2-CD2 3.81Å; L79-L159 HydrophobicContact CD2-CG 4.45Å; L79-L159 HydrophobicContact CG-CD2 3.8Å |
| 80 | C | 97.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 98.4 | 175.4 | -63.9 | 0 | 0 | 0 | 0 | 108.9 | I93 V112 L113 V114 | C80-I93 HydrophobicContact CB-CD1 4.05Å; C80-I93 HydrophobicContact CB-CG2 4.42Å; C80-V112 PolarHBondContact N-O 3.39Å; C80-L113 HydrophobicContact CB-CD1 4.39Å; C80-V114 PolarHBondContact O-N 2.99Å |
| 81 | V | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 127.7 | -170 | -169.2 | 0 | 0 | 0 | 0 | 111.3 | V8 V9 G10 V14 K16 L19 L79 V114 N116 | V8-V81 HydrophobicContact CG1-CG2 3.58Å; V9-V81 PolarHBondContact O-N 2.75Å; G10-V81 WeakPolarHBondContact CA-O 3.38Å; V14-V81 HydrophobicContact CB-CG1 4.34Å; V14-V81 HydrophobicContact CG2-CB 4.04Å; V14-V81 HydrophobicContact CG2-CG1 3.83Å; K16-V81 HydrophobicContact CG-CB 4.26Å; K16-V81 HydrophobicContact CG-CG2 4.42Å; L19-V81 HydrophobicContact CD1-CG1 3.9Å; L19-V81 HydrophobicContact CD1-CG2 4.21Å; L79-V81 HydrophobicContact CB-CG2 4.17Å; V81-V114 WeakPolarHBondContact CA-O 3.21Å; V81-V114 HydrophobicContact CB-CB 4.49Å; V81-V114 HydrophobicContact CG1-CB 4.45Å; V81-V114 HydrophobicContact CG1-CG1 4.3Å; V81-V114 HydrophobicContact CG2-CB 4.14Å; V81-V114 HydrophobicContact CG2-CG1 4.49Å; V81-N116 HydrophobicContact CG1-CB 4.01Å |
| 82 | F | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 167.9 | 164.2 | 72.7 | -82.9 | 0 | 0 | 0 | 109.8 | I84 S89 F90 I93 L113 V114 N116 V125 A130 Y141 | F82-I84 HydrophobicContact CE2-CG2 4.16Å; F82-S89 WeakPolarHBondContact CB-O 3.11Å; F82-F90 HydrophobicContact CB-CB 4.35Å; F82-F90 AromaticContact CD1-CD2 3.87Å; F82-F90 HydrophobicContact CD1-CD2 3.87Å; F82-F90 HydrophobicContact CD2-CB 3.78Å; F82-F90 AromaticContact CD2-CD2 3.79Å; F82-F90 HydrophobicContact CD2-CD2 3.79Å; F82-F90 HydrophobicContact CD2-CG 4.22Å; F82-F90 AromaticContact CE1-CD2 3.75Å; F82-F90 HydrophobicContact CE1-CD2 3.75Å; F82-F90 HydrophobicContact CE1-CE2 4.1Å; F82-F90 HydrophobicContact CE2-CB 4.29Å; F82-F90 AromaticContact CE2-CD2 3.68Å; F82-F90 HydrophobicContact CE2-CD2 3.68Å; F82-F90 HydrophobicContact CE2-CE2 4.42Å; F82-F90 HydrophobicContact CE2-CG 4.31Å; F82-F90 HydrophobicContact CG-CB 4.11Å; F82-F90 AromaticContact CG-CD2 3.89Å; F82-F90 HydrophobicContact CG-CD2 3.89Å; F82-F90 AromaticContact CZ-CD2 3.66Å; F82-F90 HydrophobicContact CZ-CD2 3.66Å; F82-F90 HydrophobicContact CZ-CE2 4.01Å; F82-I93 HydrophobicContact CB-CD1 4.06Å; F82-I93 HydrophobicContact CB-CG1 4.09Å; F82-I93 HydrophobicContact CD1-CD1 4.38Å; F82-I93 HydrophobicContact CD1-CG1 4.3Å; F82-L113 HydrophobicContact CD1-CD1 3.9Å; F82-L113 HydrophobicContact CD1-CG 4.37Å; F82-L113 HydrophobicContact CE1-CD1 3.97Å; F82-L113 HydrophobicContact CE1-CD2 4.22Å; F82-L113 HydrophobicContact CE1-CG 3.95Å; F82-V114 WeakPolarHBondContact CD1-O 3.01Å; F82-V114 PolarHBondContact N-O 3.2Å; F82-N116 PolarHBondContact O-N 3.24Å; F82-V125 HydrophobicContact CE2-CB 4.06Å; F82-V125 HydrophobicContact CE2-CG1 3.8Å; F82-V125 HydrophobicContact CE2-CG2 4.38Å; F82-V125 HydrophobicContact CZ-CG1 4.3Å; F82-A130 HydrophobicContact CE1-CB 4.33Å; F82-A130 HydrophobicContact CZ-CB 3.77Å; F82-Y141 AromaticContact CE1-CE2 3.84Å; F82-Y141 HydrophobicContact CE1-CE2 3.84Å; F82-Y141 AromaticContact CZ-CE2 3.92Å; F82-Y141 HydrophobicContact CZ-CE2 3.92Å |
| 83 | A | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 133.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V14 N85 N86 S89 N116 K117 | V14-A83 HydrophobicContact CB-CB 4.31Å; V14-A83 HydrophobicContact CG1-CB 4.41Å; A83-N85 WeakPolarHBondContact CB-OD1 3.34Å; A83-N85 PolarHBondContact O-N 3.24Å; A83-N85 VanDerWaalsContact O-N 3.07Å; A83-N86 HydrophobicContact CB-CB 4.25Å; A83-N86 PolarHBondContact O-N 3.39Å; A83-S89 PolarHBondContact N-OG 2.98Å; A83-S89 VanDerWaalsContact N-OG 3.08Å; A83-N116 WeakPolarHBondContact CA-O 3.48Å; A83-K117 HydrophobicContact CB-CD 3.99Å; A83-K117 HydrophobicContact CB-CG 4.24Å |
| 84 | I | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.7 | -176 | 62.2 | 142.2 | 0 | 0 | 0 | 113.8 | F82 N116 K117 C118 R123 T124 V125 | F82-I84 HydrophobicContact CE2-CG2 4.16Å; I84-N116 WeakPolarHBondContact CG1-O 3.14Å; I84-N116 PolarHBondContact N-O 3.38Å; I84-K117 WeakPolarHBondContact CD1-O 3.37Å; I84-K117 VanDerWaalsContact CG1-O 3.3Å; I84-K117 WeakPolarHBondContact CG1-O 3.47Å; I84-C118 HydrophobicContact CD1-CB 4.44Å; I84-R123 HydrophobicContact CD1-CB 4.1Å; I84-R123 HydrophobicContact CD1-CG 4.16Å; I84-T124 PolarHBondContact O-N 3.36Å; I84-T124 PolarHBondContact O-OG1 3.33Å; I84-V125 PolarHBondContact O-N 3.39Å |
| 85 | N | 97.6 | Very high | 97.1 | Very high | 54 Ų | 54 | 33.9 Ų | 33.9 | 29% | 0.289 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 11.6 | 176.5 | 73.6 | -35 | 0 | 0 | 0 | 113.2 | A83 L120 A122 T124 | A83-N85 WeakPolarHBondContact CB-OD1 3.34Å; A83-N85 PolarHBondContact O-N 3.24Å; A83-N85 VanDerWaalsContact O-N 3.07Å; N85-L120 WeakPolarHBondContact ND2-CD1 3.36Å; N85-A122 WeakPolarHBondContact CA-O 3.42Å; N85-A122 WeakPolarHBondContact CB-O 3.34Å; N85-T124 VanDerWaalsContact C-OG1 3.28Å |
| 86 | N | 97 | Very high | 97 | Very high | 63 Ų | 63 | 35 Ų | 35 | 34% | 0.337 | 17% | 0.169 | S | C | . | . | trans | -138.9 | 95.6 | -179.7 | -177.9 | -15.3 | 0 | 0 | 0 | 110.6 | A83 K88 S89 F90 T124 | A83-N86 HydrophobicContact CB-CB 4.25Å; A83-N86 PolarHBondContact O-N 3.39Å; N86-K88 VanDerWaalsContact C-N 3.29Å; N86-K88 PolarHBondContact O-N 3.15Å; N86-K88 WeakPolarHBondContact OD1-CB 3.41Å; N86-K88 PolarHBondContact OD1-N 3.4Å; N86-K88 VanDerWaalsContact OD1-N 3.12Å; N86-S89 PolarHBondContact O-N 2.96Å; N86-S89 PolarHBondContact O-OG 2.77Å; N86-S89 PolarHBondContact OD1-N 2.97Å; N86-S89 VanDerWaalsContact OD1-N 3.08Å; N86-F90 PolarHBondContact O-N 2.81Å; N86-T124 PolarHBondContact N-OG1 3.4Å | ||
| 87 | T | 97.4 | Very high | 96.9 | Very high | 58 Ų | 58 | 34.2 Ų | 34.2 | 36% | 0.356 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -59.9 | -37.2 | 179.7 | -53.8 | 0 | 0 | 0 | 0 | 112.8 | S89 F90 E91 T124 | T87-S89 VanDerWaalsContact C-N 3.31Å; T87-S89 PolarHBondContact O-N 2.78Å; T87-F90 WeakPolarHBondContact O-CB 3.47Å; T87-F90 PolarHBondContact O-N 2.85Å; T87-E91 PolarHBondContact O-N 2.84Å; T87-T124 PolarHBondContact N-OG1 3.49Å; T87-T124 VanDerWaalsContact OG1-CB 3.32Å; T87-T124 WeakPolarHBondContact OG1-CB 3.41Å; T87-T124 PolarHBondContact OG1-O 2.92Å; T87-T124 PolarHBondContact OG1-OG1 2.92Å |
| 88 | K | 96.6 | Very high | 96.8 | Very high | 109 Ų | 109 | 37.6 Ų | 37.6 | 47% | 0.474 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 178.5 | -179.2 | 55 | 179.5 | 148 | 0 | 111.6 | N86 F90 E91 D92 | N86-K88 VanDerWaalsContact C-N 3.29Å; N86-K88 PolarHBondContact O-N 3.15Å; N86-K88 WeakPolarHBondContact OD1-CB 3.41Å; N86-K88 PolarHBondContact OD1-N 3.4Å; N86-K88 VanDerWaalsContact OD1-N 3.12Å; K88-F90 PolarHBondContact O-N 2.77Å; K88-E91 PolarHBondContact O-N 2.8Å; K88-D92 WeakPolarHBondContact CE-OD1 3.22Å; K88-D92 IonicContact NZ-OD1 2.69Å; K88-D92 PolarHBondContact NZ-OD1 2.96Å; K88-D92 IonicContact NZ-OD2 3.95Å; K88-D92 VanDerWaalsContact O-CG 3.24Å; K88-D92 PolarHBondContact O-N 3.47Å |
| 89 | S | 96.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.3 | -28.5 | 176.9 | 74.2 | 0 | 0 | 0 | 0 | 113.5 | F82 A83 N86 T87 | F82-S89 WeakPolarHBondContact CB-O 3.11Å; A83-S89 PolarHBondContact N-OG 2.98Å; A83-S89 VanDerWaalsContact N-OG 3.08Å; N86-S89 PolarHBondContact O-N 2.96Å; N86-S89 PolarHBondContact O-OG 2.77Å; N86-S89 PolarHBondContact OD1-N 2.97Å; N86-S89 VanDerWaalsContact OD1-N 3.08Å; T87-S89 VanDerWaalsContact C-N 3.31Å; T87-S89 PolarHBondContact O-N 2.78Å |
| 90 | F | 98.3 | Very high | 96.3 | Very high | 31 Ų | 31 | 40.4 Ų | 40.4 | 14% | 0.136 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -75.2 | -41.1 | 175.4 | 177.9 | -110.1 | 0 | 0 | 0 | 111.9 | F82 N86 T87 K88 D92 I93 V125 A130 L133 | F82-F90 HydrophobicContact CB-CB 4.35Å; F82-F90 AromaticContact CD1-CD2 3.87Å; F82-F90 HydrophobicContact CD1-CD2 3.87Å; F82-F90 HydrophobicContact CD2-CB 3.78Å; F82-F90 AromaticContact CD2-CD2 3.79Å; F82-F90 HydrophobicContact CD2-CD2 3.79Å; F82-F90 HydrophobicContact CD2-CG 4.22Å; F82-F90 AromaticContact CE1-CD2 3.75Å; F82-F90 HydrophobicContact CE1-CD2 3.75Å; F82-F90 HydrophobicContact CE1-CE2 4.1Å; F82-F90 HydrophobicContact CE2-CB 4.29Å; F82-F90 AromaticContact CE2-CD2 3.68Å; F82-F90 HydrophobicContact CE2-CD2 3.68Å; F82-F90 HydrophobicContact CE2-CE2 4.42Å; F82-F90 HydrophobicContact CE2-CG 4.31Å; F82-F90 HydrophobicContact CG-CB 4.11Å; F82-F90 AromaticContact CG-CD2 3.89Å; F82-F90 HydrophobicContact CG-CD2 3.89Å; F82-F90 AromaticContact CZ-CD2 3.66Å; F82-F90 HydrophobicContact CZ-CD2 3.66Å; F82-F90 HydrophobicContact CZ-CE2 4.01Å; N86-F90 PolarHBondContact O-N 2.81Å; T87-F90 WeakPolarHBondContact O-CB 3.47Å; T87-F90 PolarHBondContact O-N 2.85Å; K88-F90 PolarHBondContact O-N 2.77Å; F90-D92 VanDerWaalsContact C-N 3.29Å; F90-D92 PolarHBondContact O-N 2.64Å; F90-I93 VanDerWaalsContact O-CB 3.3Å; F90-I93 WeakPolarHBondContact O-CB 3.25Å; F90-I93 WeakPolarHBondContact O-CG1 3.24Å; F90-I93 PolarHBondContact O-N 2.86Å; F90-V125 HydrophobicContact CB-CG1 4.35Å; 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 3.9Å; F90-V125 HydrophobicContact CE1-CG1 4.11Å; F90-V125 HydrophobicContact CE2-CG1 4.1Å; F90-V125 HydrophobicContact CG-CG1 3.79Å; F90-V125 HydrophobicContact CG-CG2 4.13Å; F90-V125 HydrophobicContact CZ-CG1 4.19Å; F90-A130 HydrophobicContact CE2-CB 3.9Å; F90-A130 HydrophobicContact CZ-CB 4.36Å; F90-L133 HydrophobicContact CD2-CD2 4.27Å; F90-L133 HydrophobicContact CE1-CD2 4.26Å; F90-L133 HydrophobicContact CE2-CB 4.37Å; F90-L133 HydrophobicContact CE2-CD2 3.47Å; F90-L133 VanDerWaalsContact CE2-CD2 3.47Å; F90-L133 HydrophobicContact CZ-CB 3.95Å; F90-L133 HydrophobicContact CZ-CD2 3.47Å; F90-L133 VanDerWaalsContact CZ-CD2 3.47Å; F90-L133 HydrophobicContact CZ-CG 4.32Å |
| 91 | E | 96.6 | Very high | 96.2 | Very high | 112 Ų | 112 | 41.7 Ų | 41.7 | 52% | 0.523 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.5 | -37.8 | 174.2 | -66.7 | 169.6 | 180 | 0 | 0 | 112.1 | T87 K88 I93 H94 | T87-E91 PolarHBondContact O-N 2.84Å; K88-E91 PolarHBondContact O-N 2.8Å; E91-I93 PolarHBondContact O-N 3.22Å; E91-H94 PolarHBondContact O-N 2.59Å |
| 92 | D | 95.3 | Very high | 96 | Very high | 26 Ų | 26 | 52 Ų | 52 | 14% | 0.139 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -16.6 | -178.5 | -67.2 | -21.2 | 0 | 0 | 0 | 113.2 | K88 F90 H94 Q95 Y96 | K88-D92 WeakPolarHBondContact CE-OD1 3.22Å; K88-D92 IonicContact NZ-OD1 2.69Å; K88-D92 PolarHBondContact NZ-OD1 2.96Å; K88-D92 IonicContact NZ-OD2 3.95Å; K88-D92 VanDerWaalsContact O-CG 3.24Å; K88-D92 PolarHBondContact O-N 3.47Å; F90-D92 VanDerWaalsContact C-N 3.29Å; F90-D92 PolarHBondContact O-N 2.64Å; D92-H94 PolarHBondContact O-N 3.15Å; D92-Q95 WeakPolarHBondContact O-CB 3.22Å; D92-Q95 PolarHBondContact O-N 3.38Å; D92-Y96 HydrophobicContact CB-CE2 4.17Å; D92-Y96 VanDerWaalsContact O-CD2 3.23Å; D92-Y96 WeakPolarHBondContact O-CD2 3.41Å; D92-Y96 PolarHBondContact O-N 2.97Å |
| 93 | I | 96.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.7 | -38.4 | 177.2 | -67.5 | -66.5 | 0 | 0 | 0 | 111.8 | C80 F82 F90 E91 Q95 Y96 R97 L113 L133 Y137 | C80-I93 HydrophobicContact CB-CD1 4.05Å; C80-I93 HydrophobicContact CB-CG2 4.42Å; F82-I93 HydrophobicContact CB-CD1 4.06Å; F82-I93 HydrophobicContact CB-CG1 4.09Å; F82-I93 HydrophobicContact CD1-CD1 4.38Å; F82-I93 HydrophobicContact CD1-CG1 4.3Å; F90-I93 VanDerWaalsContact O-CB 3.3Å; F90-I93 WeakPolarHBondContact O-CB 3.25Å; F90-I93 WeakPolarHBondContact O-CG1 3.24Å; F90-I93 PolarHBondContact O-N 2.86Å; E91-I93 PolarHBondContact O-N 3.22Å; I93-Q95 VanDerWaalsContact C-N 3.26Å; I93-Q95 PolarHBondContact O-N 3.05Å; I93-Y96 PolarHBondContact O-N 2.94Å; I93-R97 PolarHBondContact O-N 3.05Å; I93-L113 HydrophobicContact CD1-CD1 4.07Å; I93-L113 HydrophobicContact CG1-CD1 4.08Å; I93-L113 HydrophobicContact CG2-CD1 3.72Å; I93-L133 HydrophobicContact CG2-CD2 4.46Å; I93-Y137 HydrophobicContact CG2-CE2 4.27Å |
| 94 | H | 95.6 | Very high | 95.6 | Very high | 94 Ų | 94 | 56 Ų | 56 | 44% | 0.435 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.8 | -40.6 | 178.9 | -176 | 55.8 | 0 | 0 | 0 | 111.5 | E91 D92 R97 E98 Y137 | E91-H94 PolarHBondContact O-N 2.59Å; D92-H94 PolarHBondContact O-N 3.15Å; H94-R97 PolarHBondContact O-N 2.93Å; H94-E98 IonicContact CE1-OE1 3.98Å; H94-E98 WeakPolarHBondContact O-CG 3.46Å; H94-E98 PolarHBondContact O-N 3.45Å; H94-Y137 WeakPolarHBondContact CB-OH 3.26Å; H94-Y137 AromaticContact ND1-CZ 3.99Å; H94-Y137 PolarHBondContact ND1-OH 3.39Å; H94-Y137 VanDerWaalsContact ND1-OH 3.08Å |
| 95 | Q | 93.4 | Very high | 95.4 | Very high | 107 Ų | 107 | 63.4 Ų | 63.4 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 179.8 | -58.8 | -177.1 | 1.2 | 0 | 0 | 111.7 | D92 I93 R97 E98 Q99 | D92-Q95 WeakPolarHBondContact O-CB 3.22Å; D92-Q95 PolarHBondContact O-N 3.38Å; I93-Q95 VanDerWaalsContact C-N 3.26Å; I93-Q95 PolarHBondContact O-N 3.05Å; Q95-R97 VanDerWaalsContact C-N 3.33Å; Q95-R97 PolarHBondContact O-N 2.88Å; Q95-E98 PolarHBondContact O-N 3.16Å; Q95-Q99 WeakPolarHBondContact O-CB 3.23Å; Q95-Q99 VanDerWaalsContact O-CG 3.24Å; Q95-Q99 WeakPolarHBondContact O-CG 3.48Å; Q95-Q99 PolarHBondContact O-N 3.26Å |
| 96 | Y | 93.6 | Very high | 95.3 | Very high | 25 Ų | 25 | 62.6 Ų | 62.6 | 10% | 0.098 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 175.8 | -71.6 | -72.4 | 0 | 0 | 0 | 111.7 | V9 G10 A11 D92 I93 Q99 I100 | V9-Y96 HydrophobicContact CB-CD1 4.07Å; V9-Y96 HydrophobicContact CG2-CD1 4.4Å; V9-Y96 HydrophobicContact CG2-CG 4.44Å; G10-Y96 VanDerWaalsContact C-CZ 3.42Å; G10-Y96 VanDerWaalsContact C-OH 3.23Å; G10-Y96 PolarHBondContact O-OH 3.31Å; A11-Y96 WeakPolarHBondContact CA-OH 3.36Å; A11-Y96 PolarHBondContact N-OH 3.44Å; D92-Y96 HydrophobicContact CB-CE2 4.17Å; D92-Y96 VanDerWaalsContact O-CD2 3.23Å; D92-Y96 WeakPolarHBondContact O-CD2 3.41Å; D92-Y96 PolarHBondContact O-N 2.97Å; I93-Y96 PolarHBondContact O-N 2.94Å; Y96-Q99 PolarHBondContact O-N 3.36Å; Y96-I100 WeakPolarHBondContact O-CD1 3.44Å; Y96-I100 VanDerWaalsContact O-CG1 3.3Å; Y96-I100 WeakPolarHBondContact O-CG1 3.47Å; Y96-I100 PolarHBondContact O-N 3.35Å |
| 97 | R | 95.2 | Very high | 95 | Very high | 35 Ų | 35 | 65.8 Ų | 65.8 | 13% | 0.132 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.7 | -51 | 177.7 | -179.7 | 179.2 | -179.3 | -80.5 | 2.1 | 112 | I93 H94 Q95 Q99 I100 K101 M111 | I93-R97 PolarHBondContact O-N 3.05Å; H94-R97 PolarHBondContact O-N 2.93Å; Q95-R97 VanDerWaalsContact C-N 3.33Å; Q95-R97 PolarHBondContact O-N 2.88Å; R97-Q99 VanDerWaalsContact C-N 3.28Å; R97-Q99 PolarHBondContact O-N 2.87Å; R97-I100 PolarHBondContact O-N 2.91Å; R97-K101 HydrophobicContact CG-CD 4.11Å; R97-K101 VanDerWaalsContact CZ-CD 3.5Å; R97-K101 WeakPolarHBondContact O-CG 3.32Å; R97-K101 PolarHBondContact O-N 3Å; R97-M111 HydrophobicContact CG-CE 4.18Å; R97-M111 HydrophobicContact CG-SD 3.96Å |
| 98 | E | 94.8 | Very high | 94.8 | Very high | 70 Ų | 70 | 66.5 Ų | 66.5 | 33% | 0.327 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.2 | -34.8 | -179.1 | -67.6 | -48.4 | 122.5 | 0 | 0 | 112 | H94 Q95 K101 R102 | H94-E98 IonicContact CE1-OE1 3.98Å; H94-E98 WeakPolarHBondContact O-CG 3.46Å; H94-E98 PolarHBondContact O-N 3.45Å; Q95-E98 PolarHBondContact O-N 3.16Å; E98-K101 PolarHBondContact O-N 2.89Å; E98-K101 IonicContact OE1-NZ 3.97Å; E98-K101 IonicContact OE2-NZ 3.21Å; E98-R102 VanDerWaalsContact O-CB 3.29Å; E98-R102 WeakPolarHBondContact O-CB 3.49Å; E98-R102 PolarHBondContact O-N 3.01Å |
| 99 | Q | 91.7 | Very high | 94.9 | Very high | 60 Ų | 60 | 62 Ų | 62 | 28% | 0.28 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.3 | -48 | 172.9 | -74.1 | 172.5 | 17.3 | 0 | 0 | 111.8 | M72 Q95 Y96 R97 K101 R102 V103 | M72-Q99 HydrophobicContact CE-CB 3.97Å; M72-Q99 HydrophobicContact SD-CB 4.05Å; Q95-Q99 WeakPolarHBondContact O-CB 3.23Å; Q95-Q99 VanDerWaalsContact O-CG 3.24Å; Q95-Q99 WeakPolarHBondContact O-CG 3.48Å; Q95-Q99 PolarHBondContact O-N 3.26Å; Y96-Q99 PolarHBondContact O-N 3.36Å; R97-Q99 VanDerWaalsContact C-N 3.28Å; R97-Q99 PolarHBondContact O-N 2.87Å; Q99-K101 PolarHBondContact O-N 3.21Å; Q99-R102 PolarHBondContact O-N 2.97Å; Q99-V103 WeakPolarHBondContact O-CG2 3.35Å; Q99-V103 PolarHBondContact O-N 2.9Å |
| 100 | I | 94.6 | Very high | 95 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.9 | -48.8 | 178.2 | -68 | 160.6 | 0 | 0 | 0 | 110.5 | V9 M72 F78 Y96 R97 R102 V103 K104 V109 M111 | V9-I100 HydrophobicContact CG2-CD1 4.03Å; M72-I100 HydrophobicContact CE-CG1 4.22Å; M72-I100 HydrophobicContact CG-CG1 4.31Å; M72-I100 HydrophobicContact SD-CG1 4.18Å; F78-I100 HydrophobicContact CB-CD1 3.74Å; F78-I100 HydrophobicContact CD1-CD1 3.6Å; F78-I100 HydrophobicContact CD1-CG1 3.87Å; F78-I100 HydrophobicContact CD1-CG2 4.33Å; F78-I100 HydrophobicContact CD2-CD1 4.27Å; F78-I100 HydrophobicContact CD2-CG2 3.64Å; F78-I100 HydrophobicContact CE1-CD1 4.34Å; F78-I100 HydrophobicContact CE1-CG1 4.1Å; F78-I100 HydrophobicContact CE1-CG2 4.26Å; F78-I100 HydrophobicContact CE2-CG2 3.55Å; F78-I100 HydrophobicContact CG-CD1 3.59Å; F78-I100 HydrophobicContact CG-CG1 4.14Å; F78-I100 HydrophobicContact CG-CG2 4.07Å; F78-I100 HydrophobicContact CZ-CG2 3.89Å; Y96-I100 WeakPolarHBondContact O-CD1 3.44Å; Y96-I100 VanDerWaalsContact O-CG1 3.3Å; Y96-I100 WeakPolarHBondContact O-CG1 3.47Å; Y96-I100 PolarHBondContact O-N 3.35Å; R97-I100 PolarHBondContact O-N 2.91Å; I100-R102 VanDerWaalsContact C-N 3.32Å; I100-R102 PolarHBondContact O-N 3.22Å; I100-V103 PolarHBondContact O-N 3.21Å; I100-K104 HydrophobicContact CG2-CG 4.08Å; I100-K104 VanDerWaalsContact O-CB 3.28Å; I100-K104 WeakPolarHBondContact O-CB 3.43Å; I100-K104 VanDerWaalsContact O-CG 3.3Å; I100-K104 WeakPolarHBondContact O-CG 3.3Å; I100-K104 PolarHBondContact O-N 2.87Å; I100-V109 HydrophobicContact CG2-CB 4.49Å; I100-V109 HydrophobicContact CG2-CG1 3.8Å; I100-M111 HydrophobicContact CB-CE 3.58Å; I100-M111 HydrophobicContact CD1-CE 3.9Å; I100-M111 HydrophobicContact CG1-CE 4.36Å; I100-M111 HydrophobicContact CG2-CE 3.31Å |
| 101 | K | 95.6 | Very high | 95 | Very high | 28 Ų | 28 | 61.2 Ų | 61.2 | 12% | 0.122 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 179.7 | -70.2 | 176 | 70.1 | -134.3 | 0 | 112.1 | R97 E98 Q99 K104 D105 S106 D107 M111 | R97-K101 HydrophobicContact CG-CD 4.11Å; R97-K101 VanDerWaalsContact CZ-CD 3.5Å; R97-K101 WeakPolarHBondContact O-CG 3.32Å; R97-K101 PolarHBondContact O-N 3Å; E98-K101 PolarHBondContact O-N 2.89Å; E98-K101 IonicContact OE1-NZ 3.97Å; E98-K101 IonicContact OE2-NZ 3.21Å; Q99-K101 PolarHBondContact O-N 3.21Å; K101-K104 PolarHBondContact O-N 3.41Å; K101-D105 WeakPolarHBondContact O-CA 3.25Å; K101-D105 PolarHBondContact O-N 3.44Å; K101-S106 PolarHBondContact O-N 3.18Å; K101-D107 WeakPolarHBondContact CE-OD1 3.34Å; K101-D107 IonicContact NZ-OD1 2.8Å; K101-D107 PolarHBondContact NZ-OD1 2.94Å; K101-M111 HydrophobicContact CG-CE 4.36Å |
| 102 | R | 94.8 | Very high | 95.1 | Very high | 217 Ų | 217 | 55.9 Ų | 55.9 | 82% | 0.819 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.4 | -44.6 | 177.2 | -179.2 | -176.7 | 172.6 | -167.2 | -3.6 | 112.2 | E98 Q99 I100 D105 | E98-R102 VanDerWaalsContact O-CB 3.29Å; E98-R102 WeakPolarHBondContact O-CB 3.49Å; E98-R102 PolarHBondContact O-N 3.01Å; Q99-R102 PolarHBondContact O-N 2.97Å; I100-R102 VanDerWaalsContact C-N 3.32Å; I100-R102 PolarHBondContact O-N 3.22Å; R102-D105 PolarHBondContact O-N 3.35Å |
| 103 | V | 93.6 | Very high | 95.3 | Very high | 27 Ų | 27 | 54.6 Ų | 54.6 | 16% | 0.164 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.6 | -33.9 | -179.7 | 175.8 | 0 | 0 | 0 | 0 | 111.6 | D69 M72 R73 Q99 I100 D105 | D69-V103 HydrophobicContact CB-CG2 4.34Å; D69-V103 WeakPolarHBondContact O-CG1 2.93Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.07Å; M72-V103 HydrophobicContact CB-CB 3.88Å; M72-V103 HydrophobicContact CB-CG1 3.65Å; M72-V103 HydrophobicContact CB-CG2 4.18Å; M72-V103 HydrophobicContact SD-CG2 4.03Å; R73-V103 HydrophobicContact CB-CG1 4.03Å; Q99-V103 WeakPolarHBondContact O-CG2 3.35Å; Q99-V103 PolarHBondContact O-N 2.9Å; I100-V103 PolarHBondContact O-N 3.21Å; V103-D105 VanDerWaalsContact C-N 3.32Å |
| 104 | K | 94.1 | Very high | 95.4 | Very high | 58 Ų | 58 | 54.5 Ų | 54.5 | 25% | 0.252 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -77.5 | -17.2 | 176.1 | -72.6 | -55 | -161.8 | -169.9 | 0 | 114.3 | M72 R73 G75 I100 K101 S106 V109 | M72-K104 WeakPolarHBondContact O-CD 3.41Å; M72-K104 WeakPolarHBondContact O-CE 3.28Å; M72-K104 PolarHBondContact O-NZ 3Å; R73-K104 PolarHBondContact O-NZ 3.13Å; G75-K104 WeakPolarHBondContact O-CE 3.2Å; G75-K104 PolarHBondContact O-NZ 3.31Å; I100-K104 HydrophobicContact CG2-CG 4.08Å; I100-K104 VanDerWaalsContact O-CB 3.28Å; I100-K104 WeakPolarHBondContact O-CB 3.43Å; I100-K104 VanDerWaalsContact O-CG 3.3Å; I100-K104 WeakPolarHBondContact O-CG 3.3Å; I100-K104 PolarHBondContact O-N 2.87Å; K101-K104 PolarHBondContact O-N 3.41Å; K104-S106 PolarHBondContact O-N 3.2Å; K104-V109 HydrophobicContact CB-CG2 3.69Å; K104-V109 HydrophobicContact CG-CG1 4.08Å; K104-V109 HydrophobicContact CG-CG2 3.84Å |
| 105 | D | 95.1 | Very high | 95.5 | Very high | 156 Ų | 156 | 50 Ų | 50 | 83% | 0.834 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 45 | -171.2 | -161.5 | 32.7 | 0 | 0 | 0 | 111.4 | K101 R102 V103 | K101-D105 WeakPolarHBondContact O-CA 3.25Å; K101-D105 PolarHBondContact O-N 3.44Å; R102-D105 PolarHBondContact O-N 3.35Å; V103-D105 VanDerWaalsContact C-N 3.32Å |
| 106 | S | 93.9 | Very high | 95.7 | Very high | 37 Ų | 37 | 45.1 Ų | 45.1 | 26% | 0.259 | 22% | 0.217 | S | C | . | . | trans | -153.3 | 138.8 | -175.6 | -175 | 0 | 0 | 0 | 0 | 111.5 | K101 K104 D108 V109 | K101-S106 PolarHBondContact O-N 3.18Å; K104-S106 PolarHBondContact O-N 3.2Å; S106-D108 PolarHBondContact OG-N 2.74Å; S106-D108 PolarHBondContact OG-O 2.93Å; S106-V109 WeakPolarHBondContact O-CG2 3.2Å | ||
| 107 | D | 92.3 | Very high | 95.9 | Very high | 129 Ų | 129 | 46.7 Ų | 46.7 | 69% | 0.69 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -82.3 | -25.4 | 169.7 | -72.5 | -48.8 | 0 | 0 | 0 | 112.9 | K101 | K101-D107 WeakPolarHBondContact CE-OD1 3.34Å; K101-D107 IonicContact NZ-OD1 2.8Å; K101-D107 PolarHBondContact NZ-OD1 2.94Å |
| 108 | D | 93.5 | Very high | 96 | Very high | 74 Ų | 74 | 46.1 Ų | 46.1 | 40% | 0.396 | 23% | 0.225 | S | C | . | . | trans | -98.7 | 92.5 | 176.6 | -171.5 | 23.5 | 0 | 0 | 0 | 108.8 | S106 H166 R169 | S106-D108 PolarHBondContact OG-N 2.74Å; S106-D108 PolarHBondContact OG-O 2.93Å; D108-H166 PolarHBondContact O-NE2 2.66Å; D108-H166 IonicContact OD2-CD2 3.63Å; D108-R169 IonicContact OD1-NH1 2.65Å | ||
| 109 | V | 97.3 | Very high | 96.1 | Very high | 14 Ų | 14 | 45.5 Ų | 45.5 | 9% | 0.085 | 22% | 0.224 | C | C | . | . | trans | -127.1 | 128.1 | 177.1 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | F78 I100 K104 S106 M111 | F78-V109 HydrophobicContact CD2-CG1 3.76Å; F78-V109 HydrophobicContact CE2-CG1 3.72Å; I100-V109 HydrophobicContact CG2-CB 4.49Å; I100-V109 HydrophobicContact CG2-CG1 3.8Å; K104-V109 HydrophobicContact CB-CG2 3.69Å; K104-V109 HydrophobicContact CG-CG1 4.08Å; K104-V109 HydrophobicContact CG-CG2 3.84Å; S106-V109 WeakPolarHBondContact O-CG2 3.2Å; V109-M111 HydrophobicContact CB-CE 4.03Å; V109-M111 HydrophobicContact CG1-CE 4.1Å; V109-M111 WeakPolarHBondContact O-CG 3.25Å; V109-M111 PolarHBondContact O-N 3.33Å; V109-M111 VanDerWaalsContact O-N 3.16Å | ||
| 110 | P | 98.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | trans | -58.4 | 119 | 178.9 | -26.6 | 36 | 0 | 0 | 0 | 112.1 | G77 F78 L159 E162 I163 H166 | G77-P110 CarbonylContact C-O 3.3Å; G77-P110 VanDerWaalsContact CA-O 3.23Å; G77-P110 WeakPolarHBondContact CA-O 3.22Å; F78-P110 PolarHBondContact N-O 2.87Å; P110-L159 HydrophobicContact CB-CD1 4.4Å; P110-E162 HydrophobicContact CB-CB 4.12Å; P110-I163 HydrophobicContact CB-CG1 3.71Å; P110-I163 HydrophobicContact CG-CG1 4.08Å; P110-H166 HydrophobicContact CG-CB 3.63Å | ||
| 111 | M | 98.6 | Very high | 96 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 153.5 | -179.1 | -67.3 | 176 | -176.9 | 0 | 0 | 110.5 | F78 R97 I100 K101 V109 I139 P140 | F78-M111 HydrophobicContact CB-CG 4.2Å; F78-M111 CarbonylContact O-C 3.59Å; F78-M111 VanDerWaalsContact O-CA 3.24Å; F78-M111 WeakPolarHBondContact O-CA 3.22Å; R97-M111 HydrophobicContact CG-CE 4.18Å; R97-M111 HydrophobicContact CG-SD 3.96Å; I100-M111 HydrophobicContact CB-CE 3.58Å; I100-M111 HydrophobicContact CD1-CE 3.9Å; I100-M111 HydrophobicContact CG1-CE 4.36Å; I100-M111 HydrophobicContact CG2-CE 3.31Å; K101-M111 HydrophobicContact CG-CE 4.36Å; V109-M111 HydrophobicContact CB-CE 4.03Å; V109-M111 HydrophobicContact CG1-CE 4.1Å; V109-M111 WeakPolarHBondContact O-CG 3.25Å; V109-M111 PolarHBondContact O-N 3.33Å; V109-M111 VanDerWaalsContact O-N 3.16Å; M111-I139 HydrophobicContact CB-CD1 4.14Å; M111-I139 HydrophobicContact CB-CG2 4.02Å; M111-P140 WeakPolarHBondContact O-CD 3.49Å |
| 112 | V | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 131.5 | 166.9 | 174.9 | 0 | 0 | 0 | 0 | 108.4 | F78 L79 C80 V114 P140 I142 T158 L159 E162 | F78-V112 PolarHBondContact O-N 3.09Å; L79-V112 HydrophobicContact CD2-CB 3.79Å; L79-V112 HydrophobicContact CD2-CG1 4.28Å; L79-V112 HydrophobicContact CD2-CG2 4.48Å; C80-V112 PolarHBondContact N-O 3.39Å; V112-V114 HydrophobicContact CG1-CG2 4.09Å; V112-P140 HydrophobicContact CG1-CB 4.34Å; V112-P140 HydrophobicContact CG2-CB 4.31Å; V112-P140 HydrophobicContact CG2-CG 4.27Å; V112-I142 HydrophobicContact CG1-CD1 4.19Å; V112-I142 HydrophobicContact CG1-CG1 4.36Å; V112-T158 HydrophobicContact CG2-CG2 3.97Å; V112-L159 HydrophobicContact CG2-CB 3.92Å; V112-L159 HydrophobicContact CG2-CD1 4.12Å; V112-E162 HydrophobicContact CG2-CG 4.48Å |
| 113 | L | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 128.7 | 171.5 | -175.9 | 64.6 | 0 | 0 | 0 | 109.4 | C80 F82 I93 A130 L133 A134 I139 P140 Y141 I142 | C80-L113 HydrophobicContact CB-CD1 4.39Å; F82-L113 HydrophobicContact CD1-CD1 3.9Å; F82-L113 HydrophobicContact CD1-CG 4.37Å; F82-L113 HydrophobicContact CE1-CD1 3.97Å; F82-L113 HydrophobicContact CE1-CD2 4.22Å; F82-L113 HydrophobicContact CE1-CG 3.95Å; I93-L113 HydrophobicContact CD1-CD1 4.07Å; I93-L113 HydrophobicContact CG1-CD1 4.08Å; I93-L113 HydrophobicContact CG2-CD1 3.72Å; L113-A130 WeakPolarHBondContact CD2-O 3.48Å; L113-L133 HydrophobicContact CD2-CD2 4.37Å; L113-A134 HydrophobicContact CB-CB 4.29Å; L113-A134 HydrophobicContact CD2-CB 3.91Å; L113-I139 HydrophobicContact CB-CD1 4.04Å; L113-I139 HydrophobicContact CB-CG1 4.45Å; L113-P140 PolarHBondContact N-O 3.28Å; L113-Y141 HydrophobicContact CB-CD2 4.05Å; L113-Y141 HydrophobicContact CD2-CD2 3.82Å; L113-Y141 HydrophobicContact CD2-CE2 4.37Å; L113-Y141 HydrophobicContact CG-CD2 3.77Å; L113-Y141 HydrophobicContact CG-CE2 4.33Å; L113-Y141 WeakPolarHBondContact O-CA 3.3Å; L113-Y141 WeakPolarHBondContact O-CD2 3.46Å; L113-I142 PolarHBondContact O-N 3.35Å |
| 114 | V | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 117.9 | -176.7 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | L19 L79 C80 V81 F82 V112 I142 T144 A155 | L19-V114 HydrophobicContact CD1-CG1 4.03Å; L79-V114 HydrophobicContact CB-CG2 4.41Å; L79-V114 HydrophobicContact CD2-CG2 3.92Å; C80-V114 PolarHBondContact O-N 2.99Å; V81-V114 WeakPolarHBondContact CA-O 3.21Å; V81-V114 HydrophobicContact CB-CB 4.49Å; V81-V114 HydrophobicContact CG1-CB 4.45Å; V81-V114 HydrophobicContact CG1-CG1 4.3Å; V81-V114 HydrophobicContact CG2-CB 4.14Å; V81-V114 HydrophobicContact CG2-CG1 4.49Å; F82-V114 WeakPolarHBondContact CD1-O 3.01Å; F82-V114 PolarHBondContact N-O 3.2Å; V112-V114 HydrophobicContact CG1-CG2 4.09Å; V114-I142 WeakPolarHBondContact CA-O 3.43Å; V114-T144 HydrophobicContact CG1-CG2 3.7Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.34Å; V114-A155 HydrophobicContact CG2-CB 4.08Å |
| 115 | G | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 94.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | I142 E143 T144 | G115-I142 PolarHBondContact N-O 2.85Å; G115-E143 WeakPolarHBondContact O-CA 3.36Å; G115-T144 PolarHBondContact O-N 3.5Å |
| 116 | N | 98.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 167.2 | -177 | -167.3 | 26 | 0 | 0 | 0 | 112.5 | V14 L19 V81 F82 A83 I84 T144 A146 | V14-N116 PolarHBondContact O-ND2 2.57Å; L19-N116 HydrophobicContact CD1-CB 4.32Å; V81-N116 HydrophobicContact CG1-CB 4.01Å; F82-N116 PolarHBondContact O-N 3.24Å; A83-N116 WeakPolarHBondContact CA-O 3.48Å; I84-N116 WeakPolarHBondContact CG1-O 3.14Å; I84-N116 PolarHBondContact N-O 3.38Å; N116-T144 CarbonylContact C-O 3.59Å; N116-T144 VanDerWaalsContact C-O 3.3Å; N116-T144 VanDerWaalsContact CA-O 3.25Å; N116-T144 WeakPolarHBondContact CA-O 3.42Å; N116-T144 WeakPolarHBondContact CA-OG1 3.41Å; N116-T144 PolarHBondContact OD1-O 2.86Å; N116-T144 PolarHBondContact OD1-OG1 3.01Å; N116-A146 PolarHBondContact OD1-N 2.86Å |
| 117 | K | 97.3 | Very high | 96.5 | Very high | 59 Ų | 59 | 43.8 Ų | 43.8 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | trans | 66.3 | 33.1 | -179.8 | -44.6 | -170.5 | -172.1 | -177 | 0 | 113.2 | G13 V14 A83 I84 D119 L120 T144 | G13-K117 WeakPolarHBondContact O-CE 3.41Å; G13-K117 PolarHBondContact O-NZ 3.13Å; V14-K117 WeakPolarHBondContact O-CE 3.24Å; A83-K117 HydrophobicContact CB-CD 3.99Å; A83-K117 HydrophobicContact CB-CG 4.24Å; I84-K117 WeakPolarHBondContact CD1-O 3.37Å; I84-K117 VanDerWaalsContact CG1-O 3.3Å; I84-K117 WeakPolarHBondContact CG1-O 3.47Å; K117-D119 WeakPolarHBondContact CA-OD1 3.49Å; K117-D119 PolarHBondContact O-N 3.3Å; K117-D119 VanDerWaalsContact O-N 3.11Å; K117-L120 HydrophobicContact CB-CD1 3.88Å; K117-L120 HydrophobicContact CB-CG 4.18Å; K117-L120 HydrophobicContact CD-CD1 4.02Å; K117-L120 PolarHBondContact O-N 3.46Å; K117-T144 PolarHBondContact N-O 3.24Å | ||
| 118 | C | 97.4 | Very high | 96.7 | Very high | 22 Ų | 22 | 46 Ų | 46 | 15% | 0.149 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -12.1 | 178.2 | 71 | 0 | 0 | 0 | 0 | 113.9 | I84 L120 E143 T144 | I84-C118 HydrophobicContact CD1-CB 4.44Å; C118-L120 VanDerWaalsContact C-N 3.3Å; C118-E143 HydrophobicContact CB-CB 4.19Å; C118-T144 PolarHBondContact N-O 3.39Å; C118-T144 PolarHBondContact SG-O 2.87Å |
| 119 | D | 96.6 | Very high | 96.9 | Very high | 57 Ų | 57 | 46.8 Ų | 46.8 | 31% | 0.305 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -17.6 | 171.3 | 59.1 | -76.3 | 0 | 0 | 0 | 113.9 | K117 S145 T148 | K117-D119 WeakPolarHBondContact CA-OD1 3.49Å; K117-D119 PolarHBondContact O-N 3.3Å; K117-D119 VanDerWaalsContact O-N 3.11Å; D119-S145 WeakPolarHBondContact CB-OG 3.42Å; D119-S145 WeakPolarHBondContact OD1-CB 3.23Å; D119-S145 PolarHBondContact OD1-OG 2.97Å; D119-T148 HydrophobicContact CB-CG2 4.03Å |
| 120 | L | 94 | Very high | 97 | Very high | 60 Ų | 60 | 46.1 Ų | 46.1 | 31% | 0.314 | 24% | 0.244 | S | C | . | . | trans | -82.5 | 134.8 | -179.4 | -63.7 | -179.3 | 0 | 0 | 0 | 111.4 | N85 K117 C118 A122 | N85-L120 WeakPolarHBondContact ND2-CD1 3.36Å; K117-L120 HydrophobicContact CB-CD1 3.88Å; K117-L120 HydrophobicContact CB-CG 4.18Å; K117-L120 HydrophobicContact CD-CD1 4.02Å; K117-L120 PolarHBondContact O-N 3.46Å; C118-L120 VanDerWaalsContact C-N 3.3Å; L120-A122 VanDerWaalsContact C-N 3.29Å; L120-A122 PolarHBondContact O-N 3.14Å | ||
| 121 | P | 90.3 | Very high | 96.9 | Very high | 131 Ų | 131 | 50.2 Ų | 50.2 | 85% | 0.851 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -72.5 | -22.8 | 178.6 | 29.2 | -35.2 | 0 | 0 | 0 | 113 | R123 | P121-R123 PolarHBondContact O-N 2.67Š|
| 122 | A | 92.5 | Very high | 96.9 | Very high | 64 Ų | 64 | 54.1 Ų | 54.1 | 53% | 0.529 | 28% | 0.28 | S | S | . | . | trans | -79.7 | 59.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N85 L120 | N85-A122 WeakPolarHBondContact CA-O 3.42Å; N85-A122 WeakPolarHBondContact CB-O 3.34Å; L120-A122 VanDerWaalsContact C-N 3.29Å; L120-A122 PolarHBondContact O-N 3.14Å | ||
| 123 | R | 96.6 | Very high | 96.9 | Very high | 77 Ų | 77 | 55.8 Ų | 55.8 | 29% | 0.291 | 29% | 0.289 | S | S | . | . | trans | -72 | 130 | 177 | -178.8 | 179.3 | -73.1 | -102.7 | 10.7 | 110.7 | I84 P121 V125 T127 E143 | I84-R123 HydrophobicContact CD1-CB 4.1Å; I84-R123 HydrophobicContact CD1-CG 4.16Å; P121-R123 PolarHBondContact O-N 2.67Å; R123-V125 VanDerWaalsContact CD-O 3.27Å; R123-V125 WeakPolarHBondContact CD-O 3.43Å; R123-V125 WeakPolarHBondContact CG-O 3.44Å; R123-V125 PolarHBondContact NH1-O 3.13Å; R123-V125 VanDerWaalsContact NH1-O 3.09Å; R123-T127 PolarHBondContact NH1-OG1 3.44Å; R123-T127 VanDerWaalsContact NH1-OG1 3.13Å; R123-E143 IonicContact CZ-OE1 2.8Å; R123-E143 IonicContact CZ-OE2 3.59Å; R123-E143 IonicContact NH1-OE1 3.23Å; R123-E143 PolarHBondContact NH1-OE1 2.83Å; R123-E143 VanDerWaalsContact NH2-CD 3.27Å; R123-E143 IonicContact NH2-OE1 3.7Å; R123-E143 PolarHBondContact NH2-OE1 3.35Å; R123-E143 IonicContact NH2-OE2 3.58Å; R123-E143 PolarHBondContact NH2-OE2 2.93Å | ||
| 124 | T | 97.1 | Very high | 96.9 | Very high | 70 Ų | 70 | 55.9 Ų | 55.9 | 43% | 0.429 | 29% | 0.29 | S | S | . | . | trans | -117.6 | -10.1 | 172.7 | 67.8 | 0 | 0 | 0 | 0 | 113 | I84 N85 N86 T87 | I84-T124 PolarHBondContact O-N 3.36Å; I84-T124 PolarHBondContact O-OG1 3.33Å; N85-T124 VanDerWaalsContact C-OG1 3.28Å; N86-T124 PolarHBondContact N-OG1 3.4Å; T87-T124 PolarHBondContact N-OG1 3.49Å; T87-T124 VanDerWaalsContact OG1-CB 3.32Å; T87-T124 WeakPolarHBondContact OG1-CB 3.41Å; T87-T124 PolarHBondContact OG1-O 2.92Å; T87-T124 PolarHBondContact OG1-OG1 2.92Å | ||
| 125 | V | 97.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -120.2 | 116.6 | 174.6 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | F82 I84 F90 R123 | F82-V125 HydrophobicContact CE2-CB 4.06Å; F82-V125 HydrophobicContact CE2-CG1 3.8Å; F82-V125 HydrophobicContact CE2-CG2 4.38Å; F82-V125 HydrophobicContact CZ-CG1 4.3Å; I84-V125 PolarHBondContact O-N 3.39Å; F90-V125 HydrophobicContact CB-CG1 4.35Å; 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 3.9Å; F90-V125 HydrophobicContact CE1-CG1 4.11Å; F90-V125 HydrophobicContact CE2-CG1 4.1Å; F90-V125 HydrophobicContact CG-CG1 3.79Å; F90-V125 HydrophobicContact CG-CG2 4.13Å; F90-V125 HydrophobicContact CZ-CG1 4.19Å; R123-V125 VanDerWaalsContact CD-O 3.27Å; R123-V125 WeakPolarHBondContact CD-O 3.43Å; R123-V125 WeakPolarHBondContact CG-O 3.44Å; R123-V125 PolarHBondContact NH1-O 3.13Å; R123-V125 VanDerWaalsContact NH1-O 3.09Å |
| 126 | D | 96.7 | Very high | 96.8 | Very high | 95 Ų | 95 | 69 Ų | 69 | 51% | 0.508 | 35% | 0.353 | S | S | . | . | trans | -72.7 | 143.1 | -179.1 | -70.6 | -33.7 | 0 | 0 | 0 | 111.5 | R128 Q129 A130 | D126-R128 PolarHBondContact O-N 3.1Å; D126-R128 VanDerWaalsContact O-N 3.14Å; D126-Q129 HydrophobicContact CB-CG 4.1Å; D126-Q129 WeakPolarHBondContact O-CB 2.81Å; D126-Q129 PolarHBondContact O-N 3.39Å; D126-A130 PolarHBondContact O-N 3.48Å; D126-A130 VanDerWaalsContact O-N 3.17Å | ||
| 127 | T | 96.8 | Very high | 96.8 | Very high | 48 Ų | 48 | 70.7 Ų | 70.7 | 29% | 0.294 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -51.8 | -39.8 | 175.6 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | R123 A130 Q131 Y141 E143 | R123-T127 PolarHBondContact NH1-OG1 3.44Å; R123-T127 VanDerWaalsContact NH1-OG1 3.13Å; T127-A130 PolarHBondContact O-N 2.94Å; T127-Q131 HydrophobicContact CG2-CG 4.4Å; T127-Q131 WeakPolarHBondContact O-CB 3.19Å; T127-Q131 VanDerWaalsContact O-CG 3.24Å; T127-Q131 WeakPolarHBondContact O-CG 3.44Å; T127-Q131 PolarHBondContact O-N 2.94Å; T127-Y141 HydrophobicContact CG2-CE1 4.16Å; T127-E143 WeakPolarHBondContact CB-OE1 3.49Å; T127-E143 WeakPolarHBondContact CG2-OE1 3.3Å; T127-E143 PolarHBondContact OG1-OE1 2.85Å |
| 128 | R | 97.6 | Very high | 96.8 | Very high | 177 Ų | 177 | 70.9 Ų | 70.9 | 67% | 0.668 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.7 | -43.5 | 178.5 | -178.2 | 179.4 | 169.5 | 179.5 | -2.2 | 112.2 | D126 A130 Q131 E132 | D126-R128 PolarHBondContact O-N 3.1Å; D126-R128 VanDerWaalsContact O-N 3.14Å; R128-A130 VanDerWaalsContact C-N 3.34Å; R128-A130 PolarHBondContact O-N 3.21Å; R128-Q131 PolarHBondContact O-N 3.37Å; R128-E132 HydrophobicContact CG-CG 4.47Å; R128-E132 IonicContact CZ-OE1 3.55Å; R128-E132 IonicContact NE-OE1 3.68Å; R128-E132 PolarHBondContact NE-OE1 3.4Å; R128-E132 IonicContact NH2-OE1 3.38Å; R128-E132 PolarHBondContact NH2-OE1 3Å; R128-E132 WeakPolarHBondContact O-CB 3.39Å; R128-E132 WeakPolarHBondContact O-CG 3.4Å; R128-E132 PolarHBondContact O-N 3.01Å |
| 129 | Q | 97.4 | Very high | 96.8 | Very high | 90 Ų | 90 | 71 Ų | 71 | 42% | 0.421 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 179.2 | -66.8 | 174.4 | -56.3 | 0 | 0 | 110.8 | D126 E132 L133 | D126-Q129 HydrophobicContact CB-CG 4.1Å; D126-Q129 WeakPolarHBondContact O-CB 2.81Å; D126-Q129 PolarHBondContact O-N 3.39Å; Q129-E132 PolarHBondContact O-N 3.25Å; Q129-L133 PolarHBondContact O-N 2.82Å |
| 130 | A | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F82 F90 L113 D126 T127 R128 L133 A134 Y141 | F82-A130 HydrophobicContact CE1-CB 4.33Å; F82-A130 HydrophobicContact CZ-CB 3.77Å; F90-A130 HydrophobicContact CE2-CB 3.9Å; F90-A130 HydrophobicContact CZ-CB 4.36Å; L113-A130 WeakPolarHBondContact CD2-O 3.48Å; D126-A130 PolarHBondContact O-N 3.48Å; D126-A130 VanDerWaalsContact O-N 3.17Å; T127-A130 PolarHBondContact O-N 2.94Å; R128-A130 VanDerWaalsContact C-N 3.34Å; R128-A130 PolarHBondContact O-N 3.21Å; A130-L133 PolarHBondContact O-N 3.38Å; A130-A134 WeakPolarHBondContact O-CB 3.46Å; A130-A134 PolarHBondContact O-N 3.11Å; A130-Y141 HydrophobicContact CB-CD1 4.33Å; A130-Y141 HydrophobicContact CB-CD2 4.2Å; A130-Y141 HydrophobicContact CB-CE1 3.73Å; A130-Y141 HydrophobicContact CB-CE2 3.62Å; A130-Y141 WeakPolarHBondContact CB-OH 3.4Å |
| 131 | Q | 98.3 | Very high | 97.2 | Very high | 94 Ų | 94 | 68.9 Ų | 68.9 | 44% | 0.439 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64 | -42 | 173.4 | -75.6 | 173.6 | -11.6 | 0 | 0 | 112.6 | T127 R128 L133 A134 R135 Y141 | T127-Q131 HydrophobicContact CG2-CG 4.4Å; T127-Q131 WeakPolarHBondContact O-CB 3.19Å; T127-Q131 VanDerWaalsContact O-CG 3.24Å; T127-Q131 WeakPolarHBondContact O-CG 3.44Å; T127-Q131 PolarHBondContact O-N 2.94Å; R128-Q131 PolarHBondContact O-N 3.37Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; Q131-A134 PolarHBondContact O-N 3.09Å; Q131-R135 WeakPolarHBondContact O-CB 3.37Å; Q131-R135 PolarHBondContact O-N 3.03Å; Q131-Y141 HydrophobicContact CG-CD1 3.59Å; Q131-Y141 HydrophobicContact CG-CE1 4.07Å |
| 132 | E | 98.5 | Very high | 97.6 | Very high | 87 Ų | 87 | 63.9 Ų | 63.9 | 41% | 0.407 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 176.5 | -75.3 | 173.6 | -178.7 | 0 | 0 | 111.2 | R128 Q129 R135 S136 | R128-E132 HydrophobicContact CG-CG 4.47Å; R128-E132 IonicContact CZ-OE1 3.55Å; R128-E132 IonicContact NE-OE1 3.68Å; R128-E132 PolarHBondContact NE-OE1 3.4Å; R128-E132 IonicContact NH2-OE1 3.38Å; R128-E132 PolarHBondContact NH2-OE1 3Å; R128-E132 WeakPolarHBondContact O-CB 3.39Å; R128-E132 WeakPolarHBondContact O-CG 3.4Å; R128-E132 PolarHBondContact O-N 3.01Å; Q129-E132 PolarHBondContact O-N 3.25Å; E132-R135 PolarHBondContact O-N 3.11Å; E132-S136 PolarHBondContact O-N 2.99Å |
| 133 | L | 98.2 | Very high | 97.9 | Very high | 36 Ų | 36 | 62.9 Ų | 62.9 | 19% | 0.188 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.7 | -46.8 | 174.1 | -173.5 | 67.3 | 0 | 0 | 0 | 112.3 | F90 I93 L113 Q129 A130 Q131 R135 S136 Y137 | F90-L133 HydrophobicContact CD2-CD2 4.27Å; F90-L133 HydrophobicContact CE1-CD2 4.26Å; F90-L133 HydrophobicContact CE2-CB 4.37Å; F90-L133 HydrophobicContact CE2-CD2 3.47Å; F90-L133 VanDerWaalsContact CE2-CD2 3.47Å; F90-L133 HydrophobicContact CZ-CB 3.95Å; F90-L133 HydrophobicContact CZ-CD2 3.47Å; F90-L133 VanDerWaalsContact CZ-CD2 3.47Å; F90-L133 HydrophobicContact CZ-CG 4.32Å; I93-L133 HydrophobicContact CG2-CD2 4.46Å; L113-L133 HydrophobicContact CD2-CD2 4.37Å; Q129-L133 PolarHBondContact O-N 2.82Å; A130-L133 PolarHBondContact O-N 3.38Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 2.94Å; L133-S136 PolarHBondContact O-N 3.01Å; L133-S136 PolarHBondContact O-OG 3.21Å; L133-Y137 HydrophobicContact CD1-CD2 4.47Å; L133-Y137 HydrophobicContact CD1-CE1 4.12Å; L133-Y137 HydrophobicContact CD1-CE2 3.75Å; L133-Y137 HydrophobicContact CD2-CE2 4.11Å; L133-Y137 HydrophobicContact CG-CD2 4.2Å; L133-Y137 HydrophobicContact CG-CE2 3.72Å; L133-Y137 PolarHBondContact O-N 2.79Å; L133-Y137 VanDerWaalsContact O-N 3.1Å |
| 134 | A | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L113 A130 Q131 Y137 G138 I139 | L113-A134 HydrophobicContact CB-CB 4.29Å; L113-A134 HydrophobicContact CD2-CB 3.91Å; A130-A134 WeakPolarHBondContact O-CB 3.46Å; A130-A134 PolarHBondContact O-N 3.11Å; Q131-A134 PolarHBondContact O-N 3.09Å; A134-Y137 CarbonylContact O-C 3.55Å; A134-Y137 PolarHBondContact O-N 2.82Å; A134-G138 PolarHBondContact O-N 3.01Å; A134-I139 CarbonylContact C-O 3.57Å; A134-I139 HydrophobicContact CB-CG1 4.31Å; A134-I139 WeakPolarHBondContact CB-O 3.49Å; A134-I139 PolarHBondContact O-N 2.64Å |
| 135 | R | 98.3 | Very high | 98 | Very high | 188 Ų | 188 | 55.9 Ų | 55.9 | 71% | 0.709 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63 | -42 | 174.4 | -172.7 | -176.4 | -63.9 | 147.8 | 2.3 | 112.1 | Q131 E132 L133 Y137 G138 | Q131-R135 WeakPolarHBondContact O-CB 3.37Å; Q131-R135 PolarHBondContact O-N 3.03Å; E132-R135 PolarHBondContact O-N 3.11Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 2.94Å; R135-Y137 PolarHBondContact O-N 2.92Å; R135-G138 PolarHBondContact O-N 3.23Å; R135-G138 VanDerWaalsContact O-N 3.11Å |
| 136 | S | 97.9 | Very high | 97.9 | Very high | 86 Ų | 86 | 55.9 Ų | 55.9 | 60% | 0.601 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.4 | -27.2 | 178.2 | 75.4 | 0 | 0 | 0 | 0 | 112.5 | E132 L133 | E132-S136 PolarHBondContact O-N 2.99Å; L133-S136 PolarHBondContact O-N 3.01Å; L133-S136 PolarHBondContact O-OG 3.21Å |
| 137 | Y | 97.5 | Very high | 97.9 | Very high | 40 Ų | 40 | 56.9 Ų | 56.9 | 16% | 0.157 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -86.4 | -12.1 | 172.7 | -65.1 | -16.6 | 0 | 0 | 0 | 114.4 | I93 H94 L133 A134 R135 I139 | I93-Y137 HydrophobicContact CG2-CE2 4.27Å; H94-Y137 WeakPolarHBondContact CB-OH 3.26Å; H94-Y137 AromaticContact ND1-CZ 3.99Å; H94-Y137 PolarHBondContact ND1-OH 3.39Å; H94-Y137 VanDerWaalsContact ND1-OH 3.08Å; L133-Y137 HydrophobicContact CD1-CD2 4.47Å; L133-Y137 HydrophobicContact CD1-CE1 4.12Å; L133-Y137 HydrophobicContact CD1-CE2 3.75Å; L133-Y137 HydrophobicContact CD2-CE2 4.11Å; L133-Y137 HydrophobicContact CG-CD2 4.2Å; L133-Y137 HydrophobicContact CG-CE2 3.72Å; L133-Y137 PolarHBondContact O-N 2.79Å; L133-Y137 VanDerWaalsContact O-N 3.1Å; A134-Y137 CarbonylContact O-C 3.55Å; A134-Y137 PolarHBondContact O-N 2.82Å; R135-Y137 PolarHBondContact O-N 2.92Å; Y137-I139 HydrophobicContact CD2-CD1 4.23Å |
| 138 | G | 97.4 | Very high | 97.9 | Very high | 62 Ų | 62 | 58.5 Ų | 58.5 | 64% | 0.639 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 28.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A134 R135 | A134-G138 PolarHBondContact O-N 3.01Å; R135-G138 PolarHBondContact O-N 3.23Å; R135-G138 VanDerWaalsContact O-N 3.11Å |
| 139 | I | 98.4 | Very high | 97.8 | Very high | 25 Ų | 25 | 55 Ų | 55 | 13% | 0.128 | 28% | 0.277 | C | S | . | . | trans | -121.5 | 156 | -175.7 | 67.9 | 178.6 | 0 | 0 | 0 | 111.6 | M111 L113 A134 Y137 | M111-I139 HydrophobicContact CB-CD1 4.14Å; M111-I139 HydrophobicContact CB-CG2 4.02Å; L113-I139 HydrophobicContact CB-CD1 4.04Å; L113-I139 HydrophobicContact CB-CG1 4.45Å; A134-I139 CarbonylContact C-O 3.57Å; A134-I139 HydrophobicContact CB-CG1 4.31Å; A134-I139 WeakPolarHBondContact CB-O 3.49Å; A134-I139 PolarHBondContact O-N 2.64Å; Y137-I139 HydrophobicContact CD2-CD1 4.23Å | ||
| 140 | P | 98.7 | Very high | 97.8 | Very high | 34 Ų | 34 | 55.8 Ų | 55.8 | 22% | 0.221 | 28% | 0.281 | C | S | . | . | trans | -65.3 | 150.7 | 174 | -20.9 | 33.8 | 0 | 0 | 0 | 112.5 | M111 V112 L113 T158 E162 | M111-P140 WeakPolarHBondContact O-CD 3.49Å; V112-P140 HydrophobicContact CG1-CB 4.34Å; V112-P140 HydrophobicContact CG2-CB 4.31Å; V112-P140 HydrophobicContact CG2-CG 4.27Å; L113-P140 PolarHBondContact N-O 3.28Å; P140-T158 HydrophobicContact CB-CG2 3.76Å; P140-T158 HydrophobicContact CG-CG2 3.79Å; P140-E162 HydrophobicContact CG-CG 3.95Å | ||
| 141 | Y | 98.8 | Very high | 97.8 | Very high | 39 Ų | 39 | 56.4 Ų | 56.4 | 15% | 0.153 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132 | 170.6 | 173 | -121.3 | 0 | 0 | 0 | 110.9 | F82 L113 T127 A130 Q131 E143 | F82-Y141 AromaticContact CE1-CE2 3.84Å; F82-Y141 HydrophobicContact CE1-CE2 3.84Å; F82-Y141 AromaticContact CZ-CE2 3.92Å; F82-Y141 HydrophobicContact CZ-CE2 3.92Å; L113-Y141 HydrophobicContact CB-CD2 4.05Å; L113-Y141 HydrophobicContact CD2-CD2 3.82Å; L113-Y141 HydrophobicContact CD2-CE2 4.37Å; L113-Y141 HydrophobicContact CG-CD2 3.77Å; L113-Y141 HydrophobicContact CG-CE2 4.33Å; L113-Y141 WeakPolarHBondContact O-CA 3.3Å; L113-Y141 WeakPolarHBondContact O-CD2 3.46Å; T127-Y141 HydrophobicContact CG2-CE1 4.16Å; A130-Y141 HydrophobicContact CB-CD1 4.33Å; A130-Y141 HydrophobicContact CB-CD2 4.2Å; A130-Y141 HydrophobicContact CB-CE1 3.73Å; A130-Y141 HydrophobicContact CB-CE2 3.62Å; A130-Y141 WeakPolarHBondContact CB-OH 3.4Å; Q131-Y141 HydrophobicContact CG-CD1 3.59Å; Q131-Y141 HydrophobicContact CG-CE1 4.07Å; Y141-E143 HydrophobicContact CE1-CG 3.83Å; Y141-E143 HydrophobicContact CE2-CG 4.45Å; Y141-E143 WeakPolarHBondContact OH-CG 3.36Å; Y141-E143 PolarHBondContact OH-OE1 3.44Å |
| 142 | I | 98.8 | Very high | 97.8 | Very high | 26 Ų | 26 | 52 Ų | 52 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 127.9 | 178.9 | -62.1 | 175.9 | 0 | 0 | 0 | 109.2 | V112 L113 V114 G115 T144 D154 A155 T158 | V112-I142 HydrophobicContact CG1-CD1 4.19Å; V112-I142 HydrophobicContact CG1-CG1 4.36Å; L113-I142 PolarHBondContact O-N 3.35Å; V114-I142 WeakPolarHBondContact CA-O 3.43Å; G115-I142 PolarHBondContact N-O 2.85Å; I142-T144 HydrophobicContact CG2-CG2 3.83Å; I142-D154 HydrophobicContact CD1-CB 4.31Å; I142-D154 WeakPolarHBondContact CD1-O 2.83Å; I142-D154 HydrophobicContact CG2-CB 4.46Å; I142-A155 HydrophobicContact CG2-CB 4.38Å; I142-T158 HydrophobicContact CD1-CG2 4.08Å; I142-T158 WeakPolarHBondContact CD1-OG1 3.46Å |
| 143 | E | 98.6 | Very high | 97.8 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 134.5 | 167.7 | -74 | -165 | 177.4 | 0 | 0 | 110.2 | G115 C118 R123 T127 Y141 | G115-E143 WeakPolarHBondContact O-CA 3.36Å; C118-E143 HydrophobicContact CB-CB 4.19Å; R123-E143 IonicContact CZ-OE1 2.8Å; R123-E143 IonicContact CZ-OE2 3.59Å; R123-E143 IonicContact NH1-OE1 3.23Å; R123-E143 PolarHBondContact NH1-OE1 2.83Å; R123-E143 VanDerWaalsContact NH2-CD 3.27Å; R123-E143 IonicContact NH2-OE1 3.7Å; R123-E143 PolarHBondContact NH2-OE1 3.35Å; R123-E143 IonicContact NH2-OE2 3.58Å; R123-E143 PolarHBondContact NH2-OE2 2.93Å; T127-E143 WeakPolarHBondContact CB-OE1 3.49Å; T127-E143 WeakPolarHBondContact CG2-OE1 3.3Å; T127-E143 PolarHBondContact OG1-OE1 2.85Å; Y141-E143 HydrophobicContact CE1-CG 3.83Å; Y141-E143 HydrophobicContact CE2-CG 4.45Å; Y141-E143 WeakPolarHBondContact OH-CG 3.36Å; Y141-E143 PolarHBondContact OH-OE1 3.44Å |
| 144 | T | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -132.8 | 155.4 | -176 | 62 | 0 | 0 | 0 | 0 | 112.1 | V114 G115 N116 K117 C118 I142 Q150 G151 A155 | V114-T144 HydrophobicContact CG1-CG2 3.7Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.34Å; G115-T144 PolarHBondContact O-N 3.5Å; N116-T144 CarbonylContact C-O 3.59Å; N116-T144 VanDerWaalsContact C-O 3.3Å; N116-T144 VanDerWaalsContact CA-O 3.25Å; N116-T144 WeakPolarHBondContact CA-O 3.42Å; N116-T144 WeakPolarHBondContact CA-OG1 3.41Å; N116-T144 PolarHBondContact OD1-O 2.86Å; N116-T144 PolarHBondContact OD1-OG1 3.01Å; K117-T144 PolarHBondContact N-O 3.24Å; C118-T144 PolarHBondContact N-O 3.39Å; C118-T144 PolarHBondContact SG-O 2.87Å; I142-T144 HydrophobicContact CG2-CG2 3.83Å; T144-Q150 CarbonylContact C-O 3.57Å; T144-Q150 VanDerWaalsContact CA-O 3.25Å; T144-Q150 WeakPolarHBondContact CA-O 3.46Å; T144-G151 VanDerWaalsContact CG2-O 3.31Å; T144-G151 WeakPolarHBondContact CG2-O 3.27Å; T144-A155 HydrophobicContact CG2-CB 4.06Å | ||
| 145 | S | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -134.2 | 106 | 166.4 | 168.8 | 0 | 0 | 0 | 0 | 107.8 | D119 K147 T148 R149 Q150 | D119-S145 WeakPolarHBondContact CB-OG 3.42Å; D119-S145 WeakPolarHBondContact OD1-CB 3.23Å; D119-S145 PolarHBondContact OD1-OG 2.97Å; S145-K147 PolarHBondContact O-N 3.39Å; S145-K147 PolarHBondContact OG-N 3.29Å; S145-T148 WeakPolarHBondContact CB-OG1 3.38Å; S145-T148 PolarHBondContact O-N 2.97Å; S145-T148 PolarHBondContact OG-N 3.47Å; S145-T148 PolarHBondContact OG-OG1 3.21Å; S145-R149 CarbonylContact O-C 3.6Å; S145-R149 VanDerWaalsContact O-CA 3.29Å; S145-R149 WeakPolarHBondContact O-CA 3.34Å; S145-R149 PolarHBondContact O-N 3.4Å; S145-Q150 PolarHBondContact N-O 3.29Å; S145-Q150 PolarHBondContact O-N 2.96Å | ||
| 146 | A | 96.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 3% | 0.025 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -31.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A18 L19 Q22 F28 N116 | A18-A146 HydrophobicContact CB-CB 3.67Å; L19-A146 HydrophobicContact CD2-CB 3.93Å; L19-A146 HydrophobicContact CG-CB 4.22Å; Q22-A146 WeakPolarHBondContact CG-O 3.37Å; Q22-A146 PolarHBondContact NE2-O 3.44Å; F28-A146 HydrophobicContact CD2-CB 4.29Å; F28-A146 WeakPolarHBondContact CD2-O 3.33Å; F28-A146 HydrophobicContact CE2-CB 4.22Å; N116-A146 PolarHBondContact OD1-N 2.86Å |
| 147 | K | 95.6 | Very high | 97.8 | Very high | 116 Ų | 116 | 41.9 Ų | 41.9 | 50% | 0.504 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -46.6 | 179.8 | -175.4 | 174.9 | -175.6 | 172.1 | 0 | 113.1 | F28 S145 | F28-K147 HydrophobicContact CD1-CB 4.41Å; F28-K147 HydrophobicContact CD1-CG 4.13Å; F28-K147 HydrophobicContact CD2-CB 4.37Å; F28-K147 HydrophobicContact CE1-CB 4.15Å; F28-K147 HydrophobicContact CE1-CD 4.4Å; F28-K147 HydrophobicContact CE1-CG 3.93Å; F28-K147 HydrophobicContact CE2-CB 4.14Å; F28-K147 HydrophobicContact CZ-CB 4.03Å; F28-K147 HydrophobicContact CZ-CG 4.3Å; S145-K147 PolarHBondContact O-N 3.39Å; S145-K147 PolarHBondContact OG-N 3.29Å |
| 148 | T | 96.2 | Very high | 97.9 | Very high | 81 Ų | 81 | 41.2 Ų | 41.2 | 50% | 0.497 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -1.6 | -176.6 | 64.8 | 0 | 0 | 0 | 0 | 113.2 | D119 S145 Q150 | D119-T148 HydrophobicContact CB-CG2 4.03Å; S145-T148 WeakPolarHBondContact CB-OG1 3.38Å; S145-T148 PolarHBondContact O-N 2.97Å; S145-T148 PolarHBondContact OG-N 3.47Å; S145-T148 PolarHBondContact OG-OG1 3.21Å; T148-Q150 PolarHBondContact O-N 3.38Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.46Å; T148-Q150 PolarHBondContact OG1-N 3.32Å |
| 149 | R | 96.3 | Very high | 97.9 | Very high | 103 Ų | 103 | 38.2 Ų | 38.2 | 39% | 0.389 | 19% | 0.188 | S | C | . | . | trans | 66.3 | 1.9 | -172.1 | -166.6 | 175.9 | 171.1 | -172.9 | -3.7 | 114.4 | Q22 N26 S145 G151 V152 E153 | Q22-R149 HydrophobicContact CG-CB 4.2Å; Q22-R149 HydrophobicContact CG-CG 4.09Å; N26-R149 PolarHBondContact OD1-NH1 3.49Å; N26-R149 PolarHBondContact OD1-NH2 3.45Å; N26-R149 VanDerWaalsContact OD1-NH2 3.08Å; S145-R149 CarbonylContact O-C 3.6Å; S145-R149 VanDerWaalsContact O-CA 3.29Å; S145-R149 WeakPolarHBondContact O-CA 3.34Å; S145-R149 PolarHBondContact O-N 3.4Å; R149-G151 PolarHBondContact O-N 2.9Å; R149-V152 HydrophobicContact CG-CB 4.5Å; R149-V152 PolarHBondContact O-N 3.15Å; R149-E153 IonicContact CZ-OE1 3.69Å; R149-E153 IonicContact NE-OE1 2.71Å; R149-E153 IonicContact NH2-OE1 3.68Å; R149-E153 PolarHBondContact NH2-OE1 3.41Å | ||
| 150 | Q | 98.1 | Very high | 98 | Very high | 108 Ų | 108 | 37 Ų | 37 | 51% | 0.505 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 127.8 | 177.3 | -178.6 | -178.4 | -25.8 | 0 | 0 | 111.1 | T144 S145 T148 V152 | T144-Q150 CarbonylContact C-O 3.57Å; T144-Q150 VanDerWaalsContact CA-O 3.25Å; T144-Q150 WeakPolarHBondContact CA-O 3.46Å; S145-Q150 PolarHBondContact N-O 3.29Å; S145-Q150 PolarHBondContact O-N 2.96Å; T148-Q150 PolarHBondContact O-N 3.38Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.46Å; T148-Q150 PolarHBondContact OG1-N 3.32Å; Q150-V152 PolarHBondContact O-N 3.25Å |
| 151 | G | 97.8 | Very high | 97.9 | Very high | 13 Ų | 13 | 39.1 Ų | 39.1 | 13% | 0.134 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 1.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | T144 R149 D154 A155 | T144-G151 VanDerWaalsContact CG2-O 3.31Å; T144-G151 WeakPolarHBondContact CG2-O 3.27Å; R149-G151 PolarHBondContact O-N 2.9Å; G151-D154 PolarHBondContact O-N 3.47Å; G151-A155 WeakPolarHBondContact O-CB 3.13Å; G151-A155 PolarHBondContact O-N 2.6Å |
| 152 | V | 97.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -55.1 | -176.3 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | L19 Q22 L23 R149 Q150 D154 A155 F156 | L19-V152 HydrophobicContact CD2-CG2 3.81Å; Q22-V152 HydrophobicContact CB-CG1 4.42Å; Q22-V152 HydrophobicContact CG-CG1 4.36Å; Q22-V152 HydrophobicContact CG-CG2 4.13Å; L23-V152 HydrophobicContact CB-CG1 4.01Å; R149-V152 HydrophobicContact CG-CB 4.5Å; R149-V152 PolarHBondContact O-N 3.15Å; Q150-V152 PolarHBondContact O-N 3.25Å; V152-D154 VanDerWaalsContact C-N 3.33Å; V152-D154 PolarHBondContact O-N 3.43Å; V152-A155 PolarHBondContact O-N 3.22Å; V152-F156 HydrophobicContact CG1-CD2 4.49Å; V152-F156 HydrophobicContact CG1-CE2 4.32Å; V152-F156 VanDerWaalsContact O-CD2 3.28Å; V152-F156 WeakPolarHBondContact O-CD2 3.5Å; V152-F156 PolarHBondContact O-N 3.23Å |
| 153 | E | 97.6 | Very high | 97.9 | Very high | 60 Ų | 60 | 37.8 Ų | 37.8 | 28% | 0.28 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.1 | -42.4 | 178 | -70.4 | 179.9 | 179.7 | 0 | 0 | 111.7 | L23 R149 A155 F156 Y157 | L23-E153 HydrophobicContact CD1-CG 3.93Å; R149-E153 IonicContact CZ-OE1 3.69Å; R149-E153 IonicContact NE-OE1 2.71Å; R149-E153 IonicContact NH2-OE1 3.68Å; R149-E153 PolarHBondContact NH2-OE1 3.41Å; E153-A155 VanDerWaalsContact C-N 3.28Å; E153-A155 PolarHBondContact O-N 3.3Å; E153-F156 PolarHBondContact O-N 3.1Å; E153-Y157 HydrophobicContact CB-CD2 4.28Å; E153-Y157 HydrophobicContact CB-CE2 4.01Å; E153-Y157 HydrophobicContact CG-CE2 4.49Å; E153-Y157 VanDerWaalsContact O-CB 3.3Å; E153-Y157 WeakPolarHBondContact O-CB 3.34Å; E153-Y157 WeakPolarHBondContact O-CD1 3.01Å; E153-Y157 PolarHBondContact O-N 2.8Å |
| 154 | D | 98.3 | Very high | 97.8 | Very high | 92 Ų | 92 | 37.8 Ų | 37.8 | 49% | 0.492 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -57.7 | -40.4 | 179.8 | -64.7 | -32.8 | 0 | 0 | 0 | 112.2 | I142 G151 V152 T158 | I142-D154 HydrophobicContact CD1-CB 4.31Å; I142-D154 WeakPolarHBondContact CD1-O 2.83Å; I142-D154 HydrophobicContact CG2-CB 4.46Å; G151-D154 PolarHBondContact O-N 3.47Å; V152-D154 VanDerWaalsContact C-N 3.33Å; V152-D154 PolarHBondContact O-N 3.43Å; D154-T158 WeakPolarHBondContact O-CB 3.38Å; D154-T158 PolarHBondContact O-N 3Å; D154-T158 PolarHBondContact O-OG1 3.02Å |
| 155 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.2 | -53.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L79 V114 I142 T144 G151 V152 E153 L159 | L79-A155 HydrophobicContact CD2-CB 4.49Å; V114-A155 HydrophobicContact CG2-CB 4.08Å; I142-A155 HydrophobicContact CG2-CB 4.38Å; T144-A155 HydrophobicContact CG2-CB 4.06Å; G151-A155 WeakPolarHBondContact O-CB 3.13Å; G151-A155 PolarHBondContact O-N 2.6Å; V152-A155 PolarHBondContact O-N 3.22Å; E153-A155 VanDerWaalsContact C-N 3.28Å; E153-A155 PolarHBondContact O-N 3.3Å; A155-L159 PolarHBondContact O-N 3.03Å; A155-L159 VanDerWaalsContact O-N 3.15Å |
| 156 | F | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.1 | -38.6 | -178.9 | -71 | -88.5 | 0 | 0 | 0 | 112.1 | L6 V8 L19 L23 I55 L79 V152 E153 L159 V160 | L6-F156 HydrophobicContact CD1-CD1 3.89Å; V8-F156 HydrophobicContact CG2-CE1 4Å; V8-F156 HydrophobicContact CG2-CZ 4.23Å; L19-F156 HydrophobicContact CB-CE2 4.32Å; L23-F156 HydrophobicContact CB-CD2 4.35Å; L23-F156 HydrophobicContact CB-CE2 4.17Å; L23-F156 HydrophobicContact CD1-CD2 4.4Å; L23-F156 HydrophobicContact CD2-CB 4.07Å; L23-F156 HydrophobicContact CD2-CD1 3.91Å; L23-F156 HydrophobicContact CD2-CD2 3.64Å; L23-F156 HydrophobicContact CD2-CE1 4.23Å; L23-F156 HydrophobicContact CD2-CE2 3.98Å; L23-F156 HydrophobicContact CD2-CG 3.62Å; L23-F156 HydrophobicContact CD2-CZ 4.26Å; L23-F156 HydrophobicContact CG-CD2 4.35Å; I55-F156 HydrophobicContact CD1-CD1 3.99Å; I55-F156 HydrophobicContact CD1-CE1 3.83Å; I55-F156 HydrophobicContact CG1-CE1 4.45Å; I55-F156 HydrophobicContact CG2-CE1 3.93Å; L79-F156 HydrophobicContact CD1-CD1 3.62Å; L79-F156 HydrophobicContact CD1-CD2 4.1Å; L79-F156 HydrophobicContact CD1-CE1 3.44Å; L79-F156 VanDerWaalsContact CD1-CE1 3.44Å; L79-F156 HydrophobicContact CD1-CE2 3.95Å; L79-F156 HydrophobicContact CD1-CG 3.95Å; L79-F156 HydrophobicContact CD1-CZ 3.62Å; V152-F156 HydrophobicContact CG1-CD2 4.49Å; V152-F156 HydrophobicContact CG1-CE2 4.32Å; V152-F156 VanDerWaalsContact O-CD2 3.28Å; V152-F156 WeakPolarHBondContact O-CD2 3.5Å; V152-F156 PolarHBondContact O-N 3.23Å; E153-F156 PolarHBondContact O-N 3.1Å; F156-L159 PolarHBondContact O-N 3.47Å; F156-V160 WeakPolarHBondContact O-CG2 3.49Å; F156-V160 PolarHBondContact O-N 2.85Å; F156-V160 VanDerWaalsContact O-N 3.07Å |
| 157 | Y | 98.5 | Very high | 97.5 | Very high | 34 Ų | 34 | 46.2 Ų | 46.2 | 13% | 0.133 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.9 | -36.6 | -178.1 | -66 | 0.4 | 0 | 0 | 0 | 111.5 | V44 I46 L53 E153 L159 V160 R161 | V44-Y157 HydrophobicContact CB-CE1 4.38Å; V44-Y157 HydrophobicContact CG1-CE1 4.4Å; V44-Y157 HydrophobicContact CG2-CE1 4.26Å; I46-Y157 HydrophobicContact CD1-CD1 3.4Å; I46-Y157 HydrophobicContact CD1-CE1 3.83Å; I46-Y157 HydrophobicContact CD1-CG 3.91Å; I46-Y157 HydrophobicContact CG1-CD1 3.7Å; I46-Y157 HydrophobicContact CG1-CD2 4.21Å; I46-Y157 HydrophobicContact CG1-CE1 3.88Å; I46-Y157 HydrophobicContact CG1-CE2 4.36Å; I46-Y157 HydrophobicContact CG1-CG 3.88Å; I46-Y157 HydrophobicContact CG2-CG 4.34Å; L53-Y157 HydrophobicContact CD1-CE1 4.46Å; E153-Y157 HydrophobicContact CB-CD2 4.28Å; E153-Y157 HydrophobicContact CB-CE2 4.01Å; E153-Y157 HydrophobicContact CG-CE2 4.49Å; E153-Y157 VanDerWaalsContact O-CB 3.3Å; E153-Y157 WeakPolarHBondContact O-CB 3.34Å; E153-Y157 WeakPolarHBondContact O-CD1 3.01Å; E153-Y157 PolarHBondContact O-N 2.8Å; Y157-L159 VanDerWaalsContact C-N 3.3Å; Y157-L159 PolarHBondContact O-N 3.17Å; Y157-V160 PolarHBondContact O-N 3.08Å; Y157-R161 WeakPolarHBondContact O-CG 3.3Å; Y157-R161 PolarHBondContact O-N 2.96Å |
| 158 | T | 98.8 | Very high | 97.4 | Very high | 26 Ų | 26 | 45.8 Ų | 45.8 | 16% | 0.16 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 171.4 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | V112 P140 I142 D154 V160 R161 E162 | V112-T158 HydrophobicContact CG2-CG2 3.97Å; P140-T158 HydrophobicContact CB-CG2 3.76Å; P140-T158 HydrophobicContact CG-CG2 3.79Å; I142-T158 HydrophobicContact CD1-CG2 4.08Å; I142-T158 WeakPolarHBondContact CD1-OG1 3.46Å; D154-T158 WeakPolarHBondContact O-CB 3.38Å; D154-T158 PolarHBondContact O-N 3Å; D154-T158 PolarHBondContact O-OG1 3.02Å; T158-V160 VanDerWaalsContact C-N 3.34Å; T158-V160 PolarHBondContact O-N 3.07Å; T158-R161 WeakPolarHBondContact O-CB 3.36Å; T158-R161 PolarHBondContact O-N 3.08Å; T158-R161 VanDerWaalsContact O-N 3.11Å; T158-E162 WeakPolarHBondContact O-CG 3.42Å; T158-E162 PolarHBondContact O-N 2.92Å |
| 159 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 175.7 | -177.6 | 61 | 0 | 0 | 0 | 112.4 | L6 L79 P110 V112 A155 F156 Y157 R161 E162 I163 | L6-L159 HydrophobicContact CB-CD2 4.25Å; L6-L159 HydrophobicContact CD1-CD2 4.44Å; L6-L159 HydrophobicContact CD2-CD2 3.87Å; L6-L159 HydrophobicContact CD2-CG 4.13Å; L6-L159 HydrophobicContact CG-CD2 4.41Å; L79-L159 HydrophobicContact CD2-CB 4.02Å; L79-L159 HydrophobicContact CD2-CD2 3.81Å; L79-L159 HydrophobicContact CD2-CG 4.45Å; L79-L159 HydrophobicContact CG-CD2 3.8Å; P110-L159 HydrophobicContact CB-CD1 4.4Å; V112-L159 HydrophobicContact CG2-CB 3.92Å; V112-L159 HydrophobicContact CG2-CD1 4.12Å; A155-L159 PolarHBondContact O-N 3.03Å; A155-L159 VanDerWaalsContact O-N 3.15Å; F156-L159 PolarHBondContact O-N 3.47Å; Y157-L159 VanDerWaalsContact C-N 3.3Å; Y157-L159 PolarHBondContact O-N 3.17Å; L159-R161 VanDerWaalsContact C-N 3.29Å; L159-R161 PolarHBondContact O-N 3.27Å; L159-E162 PolarHBondContact O-N 3.24Å; L159-I163 HydrophobicContact CG-CD1 4.35Å; L159-I163 WeakPolarHBondContact O-CG1 3.37Å; L159-I163 PolarHBondContact O-N 3.2Å |
| 160 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.1 | -40.7 | 174 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | Y4 L6 I46 L53 F156 Y157 T158 I163 R164 | Y4-V160 HydrophobicContact CD1-CG1 4.46Å; Y4-V160 HydrophobicContact CD2-CG1 3.76Å; Y4-V160 HydrophobicContact CD2-CG2 4.2Å; Y4-V160 HydrophobicContact CE1-CG1 4.29Å; Y4-V160 HydrophobicContact CE2-CG1 3.54Å; Y4-V160 HydrophobicContact CG-CG1 4.22Å; Y4-V160 HydrophobicContact CG-CG2 4.31Å; L6-V160 HydrophobicContact CD1-CG2 4.25Å; L6-V160 HydrophobicContact CD2-CG2 4.39Å; I46-V160 HydrophobicContact CD1-CB 3.89Å; I46-V160 HydrophobicContact CD1-CG1 3.91Å; I46-V160 HydrophobicContact CD1-CG2 3.76Å; L53-V160 HydrophobicContact CD2-CG2 3.65Å; F156-V160 WeakPolarHBondContact O-CG2 3.49Å; F156-V160 PolarHBondContact O-N 2.85Å; F156-V160 VanDerWaalsContact O-N 3.07Å; Y157-V160 PolarHBondContact O-N 3.08Å; T158-V160 VanDerWaalsContact C-N 3.34Å; T158-V160 PolarHBondContact O-N 3.07Å; V160-I163 PolarHBondContact O-N 3.42Å; V160-R164 WeakPolarHBondContact O-CG 3.46Å; V160-R164 PolarHBondContact O-N 3.37Å |
| 161 | R | 98.5 | Very high | 96.1 | Very high | 78 Ų | 78 | 50.4 Ų | 50.4 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.2 | -41 | 175.1 | -67.1 | 173.8 | -170.7 | 121.2 | -1.9 | 112 | D47 Y157 T158 L159 R164 Q165 | D47-R161 IonicContact OD1-CZ 3.87Å; D47-R161 IonicContact OD1-NE 3.33Å; D47-R161 PolarHBondContact OD1-NE 3.44Å; D47-R161 IonicContact OD1-NH2 2.77Å; D47-R161 PolarHBondContact OD1-NH2 3.29Å; D47-R161 IonicContact OD2-CZ 3.41Å; D47-R161 IonicContact OD2-NE 2.82Å; D47-R161 PolarHBondContact OD2-NE 2.69Å; D47-R161 IonicContact OD2-NH2 3.7Å; Y157-R161 WeakPolarHBondContact O-CG 3.3Å; Y157-R161 PolarHBondContact O-N 2.96Å; T158-R161 WeakPolarHBondContact O-CB 3.36Å; T158-R161 PolarHBondContact O-N 3.08Å; T158-R161 VanDerWaalsContact O-N 3.11Å; L159-R161 VanDerWaalsContact C-N 3.29Å; L159-R161 PolarHBondContact O-N 3.27Å; R161-R164 WeakPolarHBondContact O-CB 3.43Å; R161-R164 PolarHBondContact O-N 2.98Å; R161-Q165 WeakPolarHBondContact O-CG 3.33Å; R161-Q165 PolarHBondContact O-N 3.07Å |
| 162 | E | 98.5 | Very high | 95.5 | Very high | 36 Ų | 36 | 55.8 Ų | 55.8 | 17% | 0.168 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 174.9 | -68 | -56.2 | 106.1 | 0 | 0 | 111.7 | P110 V112 P140 T158 L159 R164 Q165 H166 | P110-E162 HydrophobicContact CB-CB 4.12Å; V112-E162 HydrophobicContact CG2-CG 4.48Å; P140-E162 HydrophobicContact CG-CG 3.95Å; T158-E162 WeakPolarHBondContact O-CG 3.42Å; T158-E162 PolarHBondContact O-N 2.92Å; L159-E162 PolarHBondContact O-N 3.24Å; E162-R164 PolarHBondContact O-N 3.48Å; E162-Q165 PolarHBondContact O-N 3.28Å; E162-Q165 PolarHBondContact OE1-NE2 3.31Å; E162-Q165 VanDerWaalsContact OE1-NE2 3.12Å; E162-H166 WeakPolarHBondContact O-CB 3.23Å; E162-H166 PolarHBondContact O-N 3Å |
| 163 | I | 98.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62 | -44.2 | 174.8 | -63.7 | 165.4 | 0 | 0 | 0 | 110.9 | Y4 L6 E76 P110 L159 V160 H166 K167 | Y4-I163 HydrophobicContact CD1-CB 4.34Å; Y4-I163 HydrophobicContact CD1-CD1 4.38Å; Y4-I163 HydrophobicContact CD1-CG2 3.82Å; Y4-I163 HydrophobicContact CE1-CG2 4.01Å; L6-I163 HydrophobicContact CD2-CD1 3.37Å; E76-I163 HydrophobicContact CB-CD1 4.02Å; E76-I163 HydrophobicContact CB-CG1 4.42Å; E76-I163 HydrophobicContact CB-CG2 4.18Å; P110-I163 HydrophobicContact CB-CG1 3.71Å; P110-I163 HydrophobicContact CG-CG1 4.08Å; L159-I163 HydrophobicContact CG-CD1 4.35Å; L159-I163 WeakPolarHBondContact O-CG1 3.37Å; L159-I163 PolarHBondContact O-N 3.2Å; V160-I163 PolarHBondContact O-N 3.42Å; I163-H166 PolarHBondContact O-N 3.2Å; I163-K167 HydrophobicContact CG2-CD 4.25Å; I163-K167 WeakPolarHBondContact O-CG 3.46Å; I163-K167 PolarHBondContact O-N 2.98Å |
| 164 | R | 97.3 | Very high | 93 | Very high | 41 Ų | 41 | 62.7 Ų | 62.7 | 16% | 0.155 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59 | -48.2 | 176.3 | -73.2 | 169.1 | 174.1 | 174.2 | -4.3 | 111.1 | Y4 I46 D47 E49 V160 R161 E162 K167 L168 | Y4-R164 HydrophobicContact CE1-CG 4.24Å; Y4-R164 VanDerWaalsContact OH-CG 3.29Å; Y4-R164 WeakPolarHBondContact OH-CG 3.24Å; Y4-R164 PolarHBondContact OH-NE 3.01Å; I46-R164 PolarHBondContact O-NH1 3.3Å; I46-R164 PolarHBondContact O-NH2 2.77Å; D47-R164 IonicContact OD2-NH1 2.76Å; D47-R164 PolarHBondContact OD2-NH1 3.47Å; E49-R164 IonicContact OE2-CZ 3.45Å; E49-R164 VanDerWaalsContact OE2-CZ 3.27Å; E49-R164 IonicContact OE2-NE 3.27Å; E49-R164 PolarHBondContact OE2-NE 3.49Å; E49-R164 IonicContact OE2-NH2 3.49Å; E49-R164 PolarHBondContact OE2-NH2 3.36Å; V160-R164 WeakPolarHBondContact O-CG 3.46Å; V160-R164 PolarHBondContact O-N 3.37Å; R161-R164 WeakPolarHBondContact O-CB 3.43Å; R161-R164 PolarHBondContact O-N 2.98Å; E162-R164 PolarHBondContact O-N 3.48Å; R164-K167 PolarHBondContact O-N 3.36Å; R164-L168 WeakPolarHBondContact O-CG 3.27Å; R164-L168 PolarHBondContact O-N 3.35Å |
| 165 | Q | 96.2 | Very high | 91.4 | Very high | 79 Ų | 79 | 65.1 Ų | 65.1 | 37% | 0.369 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 178.1 | -72.4 | 179.5 | 44.2 | 0 | 0 | 112.1 | R161 E162 K167 L168 R169 | R161-Q165 WeakPolarHBondContact O-CG 3.33Å; R161-Q165 PolarHBondContact O-N 3.07Å; E162-Q165 PolarHBondContact O-N 3.28Å; E162-Q165 PolarHBondContact OE1-NE2 3.31Å; E162-Q165 VanDerWaalsContact OE1-NE2 3.12Å; Q165-K167 VanDerWaalsContact C-N 3.35Å; Q165-K167 PolarHBondContact O-N 3.4Å; Q165-L168 WeakPolarHBondContact O-CB 3.1Å; Q165-L168 PolarHBondContact O-N 3.04Å; Q165-L168 VanDerWaalsContact O-N 3.16Å; Q165-R169 WeakPolarHBondContact O-CG 3.29Å; Q165-R169 PolarHBondContact O-N 3.22Å |
| 166 | H | 96.1 | Very high | 89.6 | Confident | 23 Ų | 23 | 74.5 Ų | 74.5 | 11% | 0.106 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.7 | -41 | 177.9 | 167.5 | -94.4 | 0 | 0 | 0 | 112 | D108 P110 E162 I163 L168 R169 K170 | D108-H166 PolarHBondContact O-NE2 2.66Å; D108-H166 IonicContact OD2-CD2 3.63Å; P110-H166 HydrophobicContact CG-CB 3.63Å; E162-H166 WeakPolarHBondContact O-CB 3.23Å; E162-H166 PolarHBondContact O-N 3Å; I163-H166 PolarHBondContact O-N 3.2Å; H166-L168 VanDerWaalsContact C-N 3.34Å; H166-L168 PolarHBondContact O-N 3.31Å; H166-R169 PolarHBondContact O-N 3.34Å; H166-K170 VanDerWaalsContact CE1-CE 3.47Å; H166-K170 WeakPolarHBondContact CE1-CE 3.48Å; H166-K170 PolarHBondContact CE1-NZ 3.37Å; H166-K170 WeakPolarHBondContact NE2-CE 3.32Å; H166-K170 PolarHBondContact NE2-NZ 3.08Å; H166-K170 PolarHBondContact O-N 3.22Å; H166-K170 VanDerWaalsContact O-N 3.09Å |
| 167 | K | 94.1 | Very high | 87.4 | Confident | 79 Ų | 79 | 78.8 Ų | 78.8 | 34% | 0.343 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 173.2 | -74.1 | 179.9 | -179.4 | -179.9 | 0 | 112 | E76 I163 R164 Q165 K170 L171 | E76-K167 WeakPolarHBondContact OE2-CE 3.33Å; E76-K167 IonicContact OE2-NZ 3.86Å; E76-K167 PolarHBondContact OE2-NZ 2.93Å; I163-K167 HydrophobicContact CG2-CD 4.25Å; I163-K167 WeakPolarHBondContact O-CG 3.46Å; I163-K167 PolarHBondContact O-N 2.98Å; R164-K167 PolarHBondContact O-N 3.36Å; Q165-K167 VanDerWaalsContact C-N 3.35Å; Q165-K167 PolarHBondContact O-N 3.4Å; K167-K170 PolarHBondContact O-N 3.07Å; K167-L171 WeakPolarHBondContact O-CG 3.33Å; K167-L171 PolarHBondContact O-N 3.05Å; K167-L171 VanDerWaalsContact O-N 3.16Å |
| 168 | L | 92.1 | Very high | 85.2 | Confident | 107 Ų | 107 | 80.6 Ų | 80.6 | 56% | 0.56 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64.8 | -43.2 | 176.9 | -71.1 | 169.7 | 0 | 0 | 0 | 112.3 | R164 Q165 H166 K170 L171 N172 | R164-L168 WeakPolarHBondContact O-CG 3.27Å; R164-L168 PolarHBondContact O-N 3.35Å; Q165-L168 WeakPolarHBondContact O-CB 3.1Å; Q165-L168 PolarHBondContact O-N 3.04Å; Q165-L168 VanDerWaalsContact O-N 3.16Å; H166-L168 VanDerWaalsContact C-N 3.34Å; H166-L168 PolarHBondContact O-N 3.31Å; L168-K170 VanDerWaalsContact C-N 3.3Å; L168-K170 PolarHBondContact O-N 3.35Å; L168-L171 PolarHBondContact O-N 3.4Å; L168-N172 PolarHBondContact O-N 3.2Å |
| 169 | R | 90.9 | Very high | 82.9 | Confident | 121 Ų | 121 | 88.8 Ų | 88.8 | 46% | 0.457 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.2 | -36.7 | 176.8 | -67.7 | 174.3 | -161.7 | 165.9 | 5.9 | 112.3 | D108 Q165 H166 N172 | D108-R169 IonicContact OD1-NH1 2.65Å; Q165-R169 WeakPolarHBondContact O-CG 3.29Å; Q165-R169 PolarHBondContact O-N 3.22Å; H166-R169 PolarHBondContact O-N 3.34Å; R169-N172 CarbonylContact O-C 3.5Å; R169-N172 VanDerWaalsContact O-C 3.25Å |
| 170 | K | 86.7 | Confident | 80.6 | Confident | 136 Ų | 136 | 96.8 Ų | 96.8 | 59% | 0.591 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70.6 | -30.3 | 175.6 | -76 | -168.9 | 168.5 | 177.9 | 0 | 113.8 | H166 K167 L168 | H166-K170 VanDerWaalsContact CE1-CE 3.47Å; H166-K170 WeakPolarHBondContact CE1-CE 3.48Å; H166-K170 PolarHBondContact CE1-NZ 3.37Å; H166-K170 WeakPolarHBondContact NE2-CE 3.32Å; H166-K170 PolarHBondContact NE2-NZ 3.08Å; H166-K170 PolarHBondContact O-N 3.22Å; H166-K170 VanDerWaalsContact O-N 3.09Å; K167-K170 PolarHBondContact O-N 3.07Å; L168-K170 VanDerWaalsContact C-N 3.3Å; L168-K170 PolarHBondContact O-N 3.35Å |
| 171 | L | 86.4 | Confident | 78.2 | Confident | 132 Ų | 132 | 102.4 Ų | 102.4 | 69% | 0.691 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -78 | -33.6 | 176.5 | -72.8 | 165.5 | 0 | 0 | 0 | 112.3 | K167 L168 P173 | K167-L171 WeakPolarHBondContact O-CG 3.33Å; K167-L171 PolarHBondContact O-N 3.05Å; K167-L171 VanDerWaalsContact O-N 3.16Å; L168-L171 PolarHBondContact O-N 3.4Å; L171-P173 VanDerWaalsContact C-CD 3.44Å; L171-P173 WeakPolarHBondContact O-CD 3.45Å |
| 172 | N | 84.4 | Confident | 75.7 | Confident | 125 Ų | 125 | 108.4 Ų | 108.4 | 67% | 0.668 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -119.2 | 71.9 | 178.9 | -62.7 | -24.6 | 0 | 0 | 0 | 109.7 | L168 R169 | L168-N172 PolarHBondContact O-N 3.2Å; R169-N172 CarbonylContact O-C 3.5Å; R169-N172 VanDerWaalsContact O-C 3.25Å |
| 173 | P | 75.1 | Confident | 73.6 | Confident | 93 Ų | 93 | 111.6 Ų | 111.6 | 60% | 0.604 | 60% | 0.604 | S | S | * | * | trans | -57.9 | 139.6 | 174.4 | 25.1 | -32 | 0 | 0 | 0 | 108.9 | L171 D175 | L171-P173 VanDerWaalsContact C-CD 3.44Å; L171-P173 WeakPolarHBondContact O-CD 3.45Å; P173-D175 PolarHBondContact O-N 3.12Å | ||
| 174 | P | 68.9 | Low | 71.2 | Confident | 114 Ų | 114 | 117 Ų | 117 | 74% | 0.74 | 64% | 0.641 | S | S | * | * | trans | -56 | 131 | 172.2 | 23.6 | -30.8 | 0 | 0 | 0 | 108.5 | E176 | P174-E176 PolarHBondContact O-N 2.69Š| ||
| 175 | D | 65.2 | Low | 69 | Low | 142 Ų | 142 | 126.4 Ų | 126.4 | 76% | 0.759 | 68% | 0.677 | S | S | * | * | trans | -59.8 | 104.2 | -178.9 | -138.9 | -32.2 | 0 | 0 | 0 | 108.6 | P173 S177 | P173-D175 PolarHBondContact O-N 3.12Å; D175-S177 PolarHBondContact O-N 2.99Å; D175-S177 PolarHBondContact OD1-OG 3.35Å | ||
| 176 | E | 59.6 | Low | 66.4 | Low | 197 Ų | 197 | 128.5 Ų | 128.5 | 92% | 0.921 | 70% | 0.699 | S | S | * | * | trans | -75.1 | 38.8 | 171.8 | -69.1 | -161.9 | 139.4 | 0 | 0 | 111.3 | P174 | P174-E176 PolarHBondContact O-N 2.69Š| ||
| 177 | S | 53 | Low | 64.3 | Low | 90 Ų | 90 | 133.9 Ų | 133.9 | 63% | 0.629 | 73% | 0.733 | S | S | * | * | trans | -109 | 71.5 | 176.2 | 55.3 | 0 | 0 | 0 | 0 | 109.9 | D175 | D175-S177 PolarHBondContact O-N 2.99Å; D175-S177 PolarHBondContact OD1-OG 3.35Å | ||
| 178 | G | 51 | Low | 62.3 | Low | 72 Ų | 72 | 136.6 Ų | 136.6 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -169 | 2.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||
| 179 | Q | 51.3 | Low | 60.5 | Low | 198 Ų | 198 | 140.3 Ų | 140.3 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -136.9 | 56.7 | 176.7 | -99.5 | -179.8 | -4.8 | 0 | 0 | 112.4 | ||
| 180 | D | 49.9 | Very low | 59 | Low | 168 Ų | 168 | 141.3 Ų | 141.3 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | trans | -152.1 | 69.7 | 157.9 | -142.4 | 7.9 | 0 | 0 | 0 | 111.7 | ||||
| 181 | C | 48.3 | Very low | 57.6 | Low | 119 Ų | 119 | 141.6 Ų | 141.6 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -165.2 | 79.3 | 157.8 | -147.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 182 | M | 47 | Very low | 56 | Low | 204 Ų | 204 | 142.1 Ų | 142.1 | 100% | 1.005 | 83% | 0.826 | S | S | * | * | trans | -142.7 | 61.1 | 146.9 | -81.2 | -162.1 | 178.1 | 0 | 0 | 109.5 | ||||
| 183 | S | 54.2 | Low | 54.3 | Low | 102 Ų | 102 | 143.1 Ų | 143.1 | 71% | 0.713 | 84% | 0.835 | S | S | * | * | trans | -102.4 | 140.2 | 154 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 184 | C | 47.6 | Very low | 53 | Low | 115 Ų | 115 | 146.3 Ų | 146.3 | 78% | 0.777 | 85% | 0.849 | S | S | * | * | trans | 84.3 | 94.7 | 170.5 | -62.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 185 | R | 50.6 | Low | 51.9 | Low | 239 Ų | 239 | 148.4 Ų | 148.4 | 90% | 0.902 | 86% | 0.857 | S | S | * | * | 175.6 | 123.5 | 106.6 | -97.9 | 173.8 | 175.5 | -177.9 | -0.4 | 111.9 | |||||
| 186 | C | 42 | Very low | 51 | Low | 123 Ų | 123 | 148.9 Ų | 148.9 | 83% | 0.831 | 86% | 0.864 | S | S | * | * | trans | 177.6 | 81.6 | 136.8 | -91.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 187 | V | 52.6 | Low | 50.3 | Low | 136 Ų | 136 | 145.2 Ų | 145.2 | 82% | 0.824 | 86% | 0.859 | S | S | * | * | 69.8 | 107 | 104.3 | -178.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 188 | V | 52.7 | Low | 50.1 | Low | 135 Ų | 135 | 149.8 Ų | 149.8 | 82% | 0.818 | 88% | 0.878 | S | S | * | * | trans | -66.9 | 126.9 | 162.8 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 189 | S | 54.3 | Low | 50 | Low | 186 Ų | 186 | 156.8 Ų | 156.8 | 100% | 1.301 | 89% | 0.891 | S | S | * | * | trans | -172.1 | 0 | 139.6 | -73.1 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 189 of 189 residues in 56.4 ms
(Link to these results)