| 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 | 86.6 | Confident | 96.6 | Very high | 117 Ų | 117 | 34.2 Ų | 34.2 | 58% | 0.576 | 16% | 0.157 | S | C | * | . | 0 | 141.4 | 0 | 178.9 | 159.6 | 72 | 0 | 0 | 108.1 | Q43 Q50 C51 M52 | M1-Q43 HydrophobicContact CE-CB 4.26Å; M1-Q43 HydrophobicContact CE-CG 3.7Å; M1-Q43 HydrophobicContact SD-CG 3.89Å; M1-Q43 PolarHBondContact SD-NE2 3.35Å; M1-Q50 WeakPolarHBondContact CG-O 3.47Å; M1-Q50 HydrophobicContact SD-CB 3.91Å; M1-C51 VanDerWaalsContact CG-CA 3.45Å; M1-C51 VanDerWaalsContact SD-C 3.52Å; M1-M52 HydrophobicContact CE-CB 3.76Å; M1-M52 HydrophobicContact CE-CE 3.77Å | |||
| 2 | R | 94.2 | Very high | 96.4 | Very high | 58 Ų | 58 | 33.1 Ų | 33.1 | 22% | 0.219 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 136.9 | 178.9 | -177.9 | 170.3 | 174.9 | 173.3 | 12.5 | 110 | Y4 C51 M52 N166 T169 V171 | R2-Y4 HydrophobicContact CB-CE2 4.03Å; R2-Y4 WeakPolarHBondContact CD-OH 3.31Å; R2-Y4 HydrophobicContact CG-CD2 4.33Å; R2-Y4 HydrophobicContact CG-CE2 3.68Å; R2-C51 WeakPolarHBondContact O-CA 3.08Å; R2-C51 WeakPolarHBondContact O-CB 3.35Å; R2-M52 PolarHBondContact O-N 3.37Å; R2-N166 PolarHBondContact NH1-OD1 3.42Å; R2-T169 VanDerWaalsContact CZ-O 3.26Å; R2-T169 PolarHBondContact NH1-O 2.86Å; R2-T169 PolarHBondContact NH2-O 3.4Å; R2-V171 VanDerWaalsContact NH1-CG2 3.27Å |
| 3 | E | 97 | Very high | 96.3 | Very high | 95 Ų | 95 | 32.5 Ų | 32.5 | 44% | 0.444 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 143.6 | 176.4 | -50.2 | -163.7 | 146.5 | 0 | 0 | 110.3 | R41 M52 | E3-R41 IonicContact OE1-NH2 4Å; E3-R41 PolarHBondContact OE1-NH2 2.94Å; E3-R41 IonicContact OE2-NH2 3.68Å; E3-M52 CarbonylContact C-O 3.59Å; E3-M52 VanDerWaalsContact CA-O 3.31Å; E3-M52 WeakPolarHBondContact CA-O 3.38Å; E3-M52 HydrophobicContact CB-CB 4.45Å; E3-M52 HydrophobicContact CG-CB 4.07Å |
| 4 | Y | 98.5 | Very high | 96.4 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127 | 178.3 | -59.5 | -101.6 | 0 | 0 | 0 | 109.3 | R2 C51 M52 L53 E54 V162 I165 N166 | R2-Y4 HydrophobicContact CB-CE2 4.03Å; R2-Y4 WeakPolarHBondContact CD-OH 3.31Å; R2-Y4 HydrophobicContact CG-CD2 4.33Å; R2-Y4 HydrophobicContact CG-CE2 3.68Å; Y4-C51 HydrophobicContact CD2-CB 3.8Å; Y4-C51 HydrophobicContact CE2-CB 3.35Å; Y4-M52 PolarHBondContact N-O 3.49Å; Y4-L53 HydrophobicContact CD2-CD2 3.89Å; Y4-L53 HydrophobicContact CG-CD2 4.09Å; Y4-E54 PolarHBondContact O-N 2.86Å; Y4-V162 HydrophobicContact CD1-CG1 4.39Å; Y4-V162 HydrophobicContact CD1-CG2 4.38Å; Y4-V162 HydrophobicContact CE1-CG1 3.9Å; Y4-V162 HydrophobicContact CE2-CG1 4.21Å; Y4-V162 HydrophobicContact CG-CG2 4.27Å; Y4-I165 HydrophobicContact CD1-CB 4.04Å; Y4-I165 HydrophobicContact CD1-CD1 3.85Å; Y4-I165 HydrophobicContact CD1-CG2 3.76Å; Y4-I165 HydrophobicContact CE1-CB 4.15Å; Y4-I165 HydrophobicContact CE1-CG2 3.84Å; Y4-N166 VanDerWaalsContact OH-CG 3.28Å; Y4-N166 PolarHBondContact OH-ND2 3.34Å; Y4-N166 PolarHBondContact OH-OD1 3.23Å |
| 5 | K | 98.6 | Very high | 96.5 | Very high | 85 Ų | 85 | 29.2 Ų | 29.2 | 37% | 0.37 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 108.8 | 176.7 | -60 | -170.1 | 176.6 | -161.7 | 0 | 109.6 | E54 Q76 G77 | K5-E54 CarbonylContact C-O 3.49Å; K5-E54 WeakPolarHBondContact CA-O 3.28Å; K5-E54 VanDerWaalsContact CE-OE2 3.28Å; K5-E54 WeakPolarHBondContact CE-OE2 3.36Å; K5-E54 HydrophobicContact CG-CB 4.5Å; K5-E54 IonicContact NZ-OE2 3.91Å; K5-Q76 HydrophobicContact CB-CG 4.36Å; K5-Q76 WeakPolarHBondContact O-CA 3.29Å; K5-Q76 WeakPolarHBondContact O-CB 3.49Å; K5-Q76 PolarHBondContact O-N 3Å; K5-G77 PolarHBondContact O-N 3.16Å |
| 6 | L | 98.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 142.2 | -179.8 | -53.4 | -177.2 | 0 | 0 | 0 | 109.2 | L53 E54 I55 L56 G77 F158 L161 I165 | L6-L53 HydrophobicContact CD1-CD1 4.03Å; L6-L53 HydrophobicContact CD1-CD2 4.42Å; L6-E54 PolarHBondContact N-O 2.96Å; L6-I55 HydrophobicContact CB-CG1 4.33Å; L6-I55 HydrophobicContact CD1-CG1 4.48Å; L6-I55 WeakPolarHBondContact O-CA 3.47Å; L6-L56 PolarHBondContact O-N 3.34Å; L6-G77 CarbonylContact C-O 3.37Å; L6-G77 WeakPolarHBondContact CA-O 2.96Å; L6-F158 HydrophobicContact CD1-CB 4.22Å; L6-F158 HydrophobicContact CD1-CD1 3.87Å; L6-L161 HydrophobicContact CD1-CB 4.39Å; L6-L161 HydrophobicContact CD1-CD1 4.41Å; L6-L161 HydrophobicContact CD2-CB 3.86Å; L6-L161 HydrophobicContact CD2-CD1 4.18Å; L6-I165 HydrophobicContact CD2-CD1 3.7Å |
| 7 | V | 98.5 | Very high | 96.7 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.024 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 130.3 | 178.6 | -170.5 | 0 | 0 | 0 | 0 | 109 | L9 L56 T58 Y71 G77 F78 A79 | V7-L9 HydrophobicContact CG1-CD1 4.17Å; V7-L9 HydrophobicContact CG1-CD2 4.15Å; V7-L9 HydrophobicContact CG1-CG 3.92Å; V7-L56 HydrophobicContact CG1-CB 4.38Å; V7-L56 HydrophobicContact CG1-CD2 4.32Å; V7-L56 HydrophobicContact CG2-CB 4.38Å; V7-T58 HydrophobicContact CG1-CG2 3.81Å; V7-Y71 HydrophobicContact CG1-CD2 3.9Å; V7-Y71 HydrophobicContact CG1-CE2 4.41Å; V7-Y71 HydrophobicContact CG1-CG 4.4Å; V7-G77 PolarHBondContact N-O 3.17Å; V7-F78 HydrophobicContact CB-CD1 3.85Å; V7-F78 HydrophobicContact CB-CE1 3.99Å; V7-F78 HydrophobicContact CG2-CD1 4.29Å; V7-F78 HydrophobicContact CG2-CE1 3.93Å; V7-F78 WeakPolarHBondContact O-CA 3.49Å; V7-A79 PolarHBondContact O-N 3.34Å |
| 8 | V | 98.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 120 | 177.4 | -169.7 | 0 | 0 | 0 | 0 | 108.9 | K16 I55 L56 T58 A79 V81 F158 | V8-K16 HydrophobicContact CB-CB 4.49Å; V8-K16 HydrophobicContact CG1-CB 3.69Å; V8-K16 HydrophobicContact CG1-CD 4.34Å; V8-K16 HydrophobicContact CG1-CG 3.98Å; V8-I55 HydrophobicContact CG2-CG2 3.8Å; V8-L56 PolarHBondContact N-O 3.01Å; V8-T58 PolarHBondContact O-OG1 3.01Å; V8-A79 HydrophobicContact CG1-CB 4.42Å; V8-A79 HydrophobicContact CG2-CB 4.5Å; V8-V81 HydrophobicContact CG1-CG2 3.66Å; V8-F158 HydrophobicContact CG2-CE1 4.06Å; V8-F158 HydrophobicContact CG2-CZ 4.46Å |
| 9 | L | 97.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 156.4 | -172.6 | -67.1 | 162.7 | 0 | 0 | 0 | 110.9 | V7 K16 T58 Y71 M72 F78 A79 V81 L96 I100 | V7-L9 HydrophobicContact CG1-CD1 4.17Å; V7-L9 HydrophobicContact CG1-CD2 4.15Å; V7-L9 HydrophobicContact CG1-CG 3.92Å; L9-K16 VanDerWaalsContact C-CD 3.49Å; L9-T58 HydrophobicContact CD2-CG2 4.03Å; L9-T58 WeakPolarHBondContact CD2-OG1 3.38Å; L9-Y71 HydrophobicContact CD1-CE2 4.41Å; L9-Y71 HydrophobicContact CD2-CD2 4.35Å; L9-Y71 HydrophobicContact CD2-CE2 3.45Å; L9-Y71 VanDerWaalsContact CD2-CE2 3.45Å; L9-Y71 HydrophobicContact CG-CE2 4.49Å; L9-M72 HydrophobicContact CD1-CE 4.19Å; L9-F78 HydrophobicContact CD1-CD1 3.9Å; L9-A79 PolarHBondContact N-O 3.44Å; L9-V81 PolarHBondContact O-N 3.36Å; L9-L96 HydrophobicContact CB-CD1 4.16Å; L9-I100 HydrophobicContact CD1-CD1 3.75Å; L9-I100 HydrophobicContact CD1-CG1 4.29Å |
| 10 | G | 97.6 | Very high | 97 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | trans | 145.3 | 166.8 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | K16 T61 V81 | G10-K16 PolarHBondContact O-NZ 3.43Å; G10-T61 PolarHBondContact O-N 3.37Å; G10-V81 WeakPolarHBondContact CA-O 3.3Å | ||
| 11 | S | 96.4 | Very high | 97 | Very high | 5 Ų | 5 | 25 Ų | 25 | 4% | 0.035 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -60.1 | 166.2 | -175.8 | -37.8 | 0 | 0 | 0 | 0 | 113.4 | V14 K16 T61 D92 | S11-V14 WeakPolarHBondContact O-CG1 3.28Å; S11-V14 VanDerWaalsContact O-CG2 3.3Å; S11-V14 WeakPolarHBondContact O-CG2 3.35Å; S11-K16 PolarHBondContact O-NZ 3.5Å; S11-K16 VanDerWaalsContact O-NZ 3.09Å; S11-T61 VanDerWaalsContact CA-OG1 3.27Å; S11-T61 WeakPolarHBondContact CA-OG1 3.44Å; S11-T61 PolarHBondContact OG-OG1 3.43Å; S11-D92 PolarHBondContact OG-OD2 2.93Å |
| 12 | G | 94.6 | Very high | 97.6 | Very high | 21 Ų | 21 | 20 Ų | 20 | 22% | 0.216 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 142 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V14 E62 | G12-V14 VanDerWaalsContact C-N 3.25Å; G12-V14 PolarHBondContact O-N 2.86Å; G12-V14 VanDerWaalsContact O-N 3.11Å; G12-E62 VanDerWaalsContact CA-OE1 3.32Å; G12-E62 WeakPolarHBondContact CA-OE1 3.41Å; G12-E62 PolarHBondContact N-OE1 3.4Å; G12-E62 PolarHBondContact N-OE2 2.96Å |
| 13 | G | 95.1 | Very high | 97.8 | Very high | 26 Ų | 26 | 17.3 Ų | 17.3 | 27% | 0.268 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 2.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | G15 Y32 K117 | G13-G15 PolarHBondContact O-N 2.86Å; G13-Y32 PolarHBondContact N-OH 2.93Å; G13-K117 VanDerWaalsContact O-CE 3.26Å; G13-K117 WeakPolarHBondContact O-CE 3.33Å; G13-K117 PolarHBondContact O-NZ 3.11Å |
| 14 | V | 97.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -69.7 | -17.5 | 177.6 | -58.2 | 0 | 0 | 0 | 0 | 113.6 | S11 G12 K16 V81 T89 N116 | S11-V14 WeakPolarHBondContact O-CG1 3.28Å; S11-V14 VanDerWaalsContact O-CG2 3.3Å; S11-V14 WeakPolarHBondContact O-CG2 3.35Å; G12-V14 VanDerWaalsContact C-N 3.25Å; G12-V14 PolarHBondContact O-N 2.86Å; G12-V14 VanDerWaalsContact O-N 3.11Å; V14-K16 HydrophobicContact CG2-CD 4.22Å; V14-K16 HydrophobicContact CG2-CG 3.49Å; V14-K16 VanDerWaalsContact CG2-CG 3.49Å; V14-V81 HydrophobicContact CB-CG1 4.24Å; V14-V81 HydrophobicContact CG2-CB 3.96Å; V14-V81 HydrophobicContact CG2-CG1 3.86Å; V14-V81 WeakPolarHBondContact CG2-O 3.29Å; V14-T89 HydrophobicContact CG1-CG2 3.73Å; V14-N116 PolarHBondContact O-ND2 2.77Å |
| 15 | G | 98.2 | Very high | 97.7 | Very high | 15 Ų | 15 | 19.3 Ų | 19.3 | 16% | 0.155 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 99.2 | 28.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | G13 A18 L19 | G13-G15 PolarHBondContact O-N 2.86Å; G15-A18 PolarHBondContact O-N 2.7Å; G15-L19 WeakPolarHBondContact O-CG 3.43Å; G15-L19 PolarHBondContact O-N 2.87Å |
| 16 | K | 98.1 | Very high | 97.6 | Very high | 11 Ų | 11 | 16.9 Ų | 16.9 | 5% | 0.048 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -54 | -52.2 | 175 | -54.4 | -171.7 | -62.9 | -79.3 | 0 | 112.3 | V8 L9 G10 S11 V14 A18 L19 T20 D57 T58 A59 V81 | V8-K16 HydrophobicContact CB-CB 4.49Å; V8-K16 HydrophobicContact CG1-CB 3.69Å; V8-K16 HydrophobicContact CG1-CD 4.34Å; V8-K16 HydrophobicContact CG1-CG 3.98Å; L9-K16 VanDerWaalsContact C-CD 3.49Å; G10-K16 PolarHBondContact O-NZ 3.43Å; S11-K16 PolarHBondContact O-NZ 3.5Å; S11-K16 VanDerWaalsContact O-NZ 3.09Å; V14-K16 HydrophobicContact CG2-CD 4.22Å; V14-K16 HydrophobicContact CG2-CG 3.49Å; V14-K16 VanDerWaalsContact CG2-CG 3.49Å; K16-A18 PolarHBondContact O-N 2.74Å; K16-L19 PolarHBondContact O-N 2.86Å; K16-T20 PolarHBondContact O-N 2.87Å; K16-T20 PolarHBondContact O-OG1 3.43Å; K16-D57 VanDerWaalsContact CB-OD1 3.28Å; K16-D57 WeakPolarHBondContact CB-OD1 3.33Å; K16-T58 WeakPolarHBondContact CE-O 3.49Å; K16-A59 WeakPolarHBondContact CE-O 3.45Å; K16-A59 PolarHBondContact NZ-O 3.18Å; K16-V81 HydrophobicContact CG-CB 4.37Å |
| 17 | S | 97.6 | Very high | 97.5 | Very high | 30 Ų | 30 | 20.6 Ų | 20.6 | 21% | 0.21 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.6 | -39.9 | 178.2 | -39.7 | 0 | 0 | 0 | 0 | 112 | L19 T20 V21 T35 D57 | S17-L19 PolarHBondContact O-N 3.5Å; S17-T20 PolarHBondContact O-N 3.36Å; S17-V21 WeakPolarHBondContact O-CB 3.42Å; S17-V21 VanDerWaalsContact O-CG2 3.31Å; S17-V21 WeakPolarHBondContact O-CG2 3.41Å; S17-V21 PolarHBondContact O-N 3.3Å; S17-T35 PolarHBondContact OG-OG1 3.18Å; S17-D57 WeakPolarHBondContact CA-OD2 3.4Å; S17-D57 WeakPolarHBondContact CB-OD2 3.47Å; S17-D57 PolarHBondContact N-OD1 2.94Å; S17-D57 PolarHBondContact OG-OD2 3.23Å |
| 18 | A | 98.3 | Very high | 97.4 | Very high | 23 Ų | 23 | 23.8 Ų | 23.8 | 19% | 0.19 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.5 | -42.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G15 K16 Q22 F28 A148 | G15-A18 PolarHBondContact O-N 2.7Å; K16-A18 PolarHBondContact O-N 2.74Å; A18-Q22 WeakPolarHBondContact O-CB 3.37Å; A18-Q22 PolarHBondContact O-N 3.28Å; A18-F28 HydrophobicContact CB-CD2 4.17Å; A18-F28 HydrophobicContact CB-CE2 3.92Å; A18-A148 HydrophobicContact CB-CB 3.65Å |
| 19 | L | 98.8 | Very high | 97 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.8 | -46 | 173.6 | -74.2 | 170.5 | 0 | 0 | 0 | 111.4 | G15 K16 S17 Q22 F23 V81 V114 N116 A148 V154 I157 | G15-L19 WeakPolarHBondContact O-CG 3.43Å; G15-L19 PolarHBondContact O-N 2.87Å; K16-L19 PolarHBondContact O-N 2.86Å; S17-L19 PolarHBondContact O-N 3.5Å; L19-Q22 PolarHBondContact O-N 2.93Å; L19-F23 WeakPolarHBondContact O-CB 3.31Å; L19-F23 PolarHBondContact O-N 3.38Å; L19-V81 HydrophobicContact CD1-CG1 3.9Å; L19-V81 HydrophobicContact CD1-CG2 4.17Å; L19-V114 HydrophobicContact CD1-CG1 4.19Å; L19-N116 HydrophobicContact CD1-CB 4.2Å; L19-A148 HydrophobicContact CD2-CB 3.97Å; L19-A148 HydrophobicContact CG-CB 4.2Å; L19-V154 HydrophobicContact CD2-CG2 4.06Å; L19-I157 HydrophobicContact CD1-CD1 4.31Å; L19-I157 HydrophobicContact CD2-CD1 4.17Å |
| 20 | T | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.6 | -48 | -178.7 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | K16 S17 F23 V24 Y40 I55 D57 | K16-T20 PolarHBondContact O-N 2.87Å; K16-T20 PolarHBondContact O-OG1 3.43Å; S17-T20 PolarHBondContact O-N 3.36Å; T20-F23 PolarHBondContact O-N 3.24Å; T20-V24 HydrophobicContact CG2-CG2 4.31Å; T20-V24 WeakPolarHBondContact O-CB 3.43Å; T20-V24 WeakPolarHBondContact O-CG2 3.4Å; T20-V24 PolarHBondContact O-N 2.97Å; T20-Y40 HydrophobicContact CG2-CD2 3.41Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.41Å; T20-Y40 HydrophobicContact CG2-CE2 3.86Å; T20-Y40 HydrophobicContact CG2-CG 3.92Å; T20-I55 HydrophobicContact CG2-CB 4.31Å; T20-I55 HydrophobicContact CG2-CG2 3.72Å; T20-D57 HydrophobicContact CG2-CB 4.4Å |
| 21 | V | 97.6 | Very high | 96.1 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 12% | 0.121 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.8 | -41.5 | 177.5 | 173 | 0 | 0 | 0 | 0 | 111.1 | S17 F23 V24 Q25 G26 I27 Y40 | S17-V21 WeakPolarHBondContact O-CB 3.42Å; S17-V21 VanDerWaalsContact O-CG2 3.31Å; S17-V21 WeakPolarHBondContact O-CG2 3.41Å; S17-V21 PolarHBondContact O-N 3.3Å; V21-F23 VanDerWaalsContact C-N 3.27Å; V21-F23 PolarHBondContact O-N 2.95Å; V21-V24 PolarHBondContact O-N 3.15Å; V21-Q25 HydrophobicContact CG1-CB 4.35Å; V21-Q25 WeakPolarHBondContact O-CA 3.35Å; V21-Q25 WeakPolarHBondContact O-CB 3.37Å; V21-Q25 PolarHBondContact O-N 3.39Å; V21-G26 PolarHBondContact O-N 2.67Å; V21-I27 HydrophobicContact CG1-CD1 4.29Å; V21-I27 HydrophobicContact CG1-CG1 3.72Å; V21-Y40 HydrophobicContact CG2-CE1 4.33Å |
| 22 | Q | 98.3 | Very high | 95.4 | Very high | 10 Ų | 10 | 49.4 Ų | 49.4 | 5% | 0.047 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 175.4 | -175 | 69.3 | -74.5 | 0 | 0 | 111.1 | A18 L19 G26 I27 A148 K151 V154 | A18-Q22 WeakPolarHBondContact O-CB 3.37Å; A18-Q22 PolarHBondContact O-N 3.28Å; L19-Q22 PolarHBondContact O-N 2.93Å; Q22-G26 WeakPolarHBondContact O-CA 3.46Å; Q22-G26 PolarHBondContact O-N 2.73Å; Q22-G26 PolarHBondContact OE1-O 3.42Å; Q22-G26 VanDerWaalsContact OE1-O 3.07Å; Q22-I27 VanDerWaalsContact CA-O 3.28Å; Q22-I27 WeakPolarHBondContact CA-O 3.23Å; Q22-I27 PolarHBondContact N-O 3.37Å; Q22-I27 VanDerWaalsContact OE1-C 3.3Å; Q22-I27 PolarHBondContact OE1-O 2.82Å; Q22-A148 WeakPolarHBondContact CG-O 3.28Å; Q22-A148 PolarHBondContact NE2-O 3.15Å; Q22-K151 HydrophobicContact CG-CG 4.28Å; Q22-V154 HydrophobicContact CB-CG1 4.16Å; Q22-V154 HydrophobicContact CG-CG1 4.07Å; Q22-V154 HydrophobicContact CG-CG2 4.08Å |
| 23 | F | 98.7 | Very high | 95 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.1 | -50.7 | 174.2 | 178.9 | -108.3 | 0 | 0 | 0 | 111.9 | L19 T20 V21 K42 V44 L53 I55 V154 N155 F158 Y159 | L19-F23 WeakPolarHBondContact O-CB 3.31Å; L19-F23 PolarHBondContact O-N 3.38Å; T20-F23 PolarHBondContact O-N 3.24Å; V21-F23 VanDerWaalsContact C-N 3.27Å; V21-F23 PolarHBondContact O-N 2.95Å; F23-K42 HydrophobicContact CD1-CD 3.92Å; F23-K42 HydrophobicContact CE1-CB 4.2Å; F23-K42 HydrophobicContact CE1-CD 3.51Å; F23-K42 HydrophobicContact CE1-CG 4.45Å; F23-K42 HydrophobicContact CE2-CD 4.41Å; F23-K42 HydrophobicContact CZ-CD 3.81Å; F23-K42 WeakPolarHBondContact O-CE 3.48Å; F23-K42 PolarHBondContact O-NZ 3.28Å; F23-V44 HydrophobicContact CE1-CG1 4.48Å; F23-V44 HydrophobicContact CZ-CG1 3.84Å; F23-L53 HydrophobicContact CE1-CD1 3.9Å; F23-L53 HydrophobicContact CZ-CD1 3.78Å; F23-I55 HydrophobicContact CD1-CD1 3.48Å; F23-I55 VanDerWaalsContact CD1-CD1 3.48Å; F23-I55 HydrophobicContact CE1-CD1 3.57Å; F23-V154 HydrophobicContact CB-CG1 3.77Å; F23-N155 HydrophobicContact CD2-CB 4.48Å; F23-N155 WeakPolarHBondContact CD2-OD1 3.29Å; F23-N155 HydrophobicContact CE2-CB 4.36Å; F23-N155 WeakPolarHBondContact CE2-OD1 3.26Å; F23-F158 HydrophobicContact CB-CD2 3.84Å; F23-F158 HydrophobicContact CB-CE2 3.45Å; F23-F158 VanDerWaalsContact CB-CE2 3.45Å; F23-F158 HydrophobicContact CB-CZ 4.22Å; F23-F158 AromaticContact CD1-CD2 3.75Å; F23-F158 HydrophobicContact CD1-CD2 3.75Å; F23-F158 AromaticContact CD1-CE2 3.99Å; F23-F158 HydrophobicContact CD1-CE2 3.99Å; F23-F158 HydrophobicContact CD1-CG 4.06Å; F23-F158 HydrophobicContact CD1-CZ 4.46Å; F23-F158 HydrophobicContact CD2-CB 4.49Å; F23-F158 AromaticContact CD2-CD2 3.44Å; F23-F158 HydrophobicContact CD2-CD2 3.44Å; F23-F158 VanDerWaalsContact CD2-CD2 3.44Å; F23-F158 AromaticContact CD2-CE2 4Å; F23-F158 HydrophobicContact CD2-CE2 4Å; F23-F158 HydrophobicContact CD2-CG 4.22Å; F23-F158 HydrophobicContact CE1-CB 4.2Å; F23-F158 HydrophobicContact CE1-CD2 4.13Å; F23-F158 HydrophobicContact CE1-CG 4.06Å; F23-F158 HydrophobicContact CE2-CB 4.02Å; F23-F158 AromaticContact CE2-CD2 3.84Å; F23-F158 HydrophobicContact CE2-CD2 3.84Å; F23-F158 HydrophobicContact CE2-CG 4.22Å; F23-F158 AromaticContact CG-CD2 3.38Å; F23-F158 HydrophobicContact CG-CD2 3.38Å; F23-F158 AromaticContact CG-CE2 3.54Å; F23-F158 HydrophobicContact CG-CE2 3.54Å; F23-F158 HydrophobicContact CG-CG 4.14Å; F23-F158 HydrophobicContact CG-CZ 4.38Å; F23-F158 HydrophobicContact CZ-CB 3.83Å; F23-F158 HydrophobicContact CZ-CD2 4.15Å; F23-F158 HydrophobicContact CZ-CG 4.11Å; F23-Y159 AromaticContact CE2-CE1 3.9Å; F23-Y159 HydrophobicContact CE2-CE1 3.9Å; F23-Y159 HydrophobicContact CZ-CE1 4.01Å |
| 24 | V | 98 | Very high | 94.8 | Very high | 32 Ų | 32 | 55.8 Ų | 55.8 | 19% | 0.194 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -74.3 | -42.9 | -171.2 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | T20 V21 Y40 K42 I55 | T20-V24 HydrophobicContact CG2-CG2 4.31Å; T20-V24 WeakPolarHBondContact O-CB 3.43Å; T20-V24 WeakPolarHBondContact O-CG2 3.4Å; T20-V24 PolarHBondContact O-N 2.97Å; V21-V24 PolarHBondContact O-N 3.15Å; V24-Y40 HydrophobicContact CB-CD1 4.44Å; V24-Y40 HydrophobicContact CG1-CD1 4.18Å; V24-Y40 HydrophobicContact CG2-CD1 4.38Å; V24-Y40 HydrophobicContact CG2-CG 4.22Å; V24-K42 HydrophobicContact CG2-CB 4.47Å; V24-I55 HydrophobicContact CG2-CD1 4.27Å |
| 25 | Q | 96.6 | Very high | 94.3 | Very high | 109 Ų | 109 | 56.6 Ų | 56.6 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -114.1 | -13.3 | -168.7 | -58.7 | -178.3 | 7.9 | 0 | 0 | 113.4 | V21 I27 | V21-Q25 HydrophobicContact CG1-CB 4.35Å; V21-Q25 WeakPolarHBondContact O-CA 3.35Å; V21-Q25 WeakPolarHBondContact O-CB 3.37Å; V21-Q25 PolarHBondContact O-N 3.39Å; Q25-I27 HydrophobicContact CB-CD1 4.45Å; Q25-I27 HydrophobicContact CB-CG1 3.99Å; Q25-I27 PolarHBondContact O-N 2.63Å |
| 26 | G | 97.1 | Very high | 93.7 | Very high | 34 Ų | 34 | 61.4 Ų | 61.4 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 71.8 | 16.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V21 Q22 K151 | V21-G26 PolarHBondContact O-N 2.67Å; Q22-G26 WeakPolarHBondContact O-CA 3.46Å; Q22-G26 PolarHBondContact O-N 2.73Å; Q22-G26 PolarHBondContact OE1-O 3.42Å; Q22-G26 VanDerWaalsContact OE1-O 3.07Å; G26-K151 PolarHBondContact O-NZ 3.43Å |
| 27 | I | 96.1 | Very high | 93.3 | Very high | 81 Ų | 81 | 65.5 Ų | 65.5 | 42% | 0.415 | 34% | 0.338 | S | S | . | . | trans | -117.2 | 152.6 | 176.9 | 68.3 | 175.3 | 0 | 0 | 0 | 111.4 | V21 Q22 Q25 V29 | V21-I27 HydrophobicContact CG1-CD1 4.29Å; V21-I27 HydrophobicContact CG1-CG1 3.72Å; Q22-I27 VanDerWaalsContact CA-O 3.28Å; Q22-I27 WeakPolarHBondContact CA-O 3.23Å; Q22-I27 PolarHBondContact N-O 3.37Å; Q22-I27 VanDerWaalsContact OE1-C 3.3Å; Q22-I27 PolarHBondContact OE1-O 2.82Å; Q25-I27 HydrophobicContact CB-CD1 4.45Å; Q25-I27 HydrophobicContact CB-CG1 3.99Å; Q25-I27 PolarHBondContact O-N 2.63Å; I27-V29 HydrophobicContact CD1-CG2 4.25Å | ||
| 28 | F | 95.4 | Very high | 93.2 | Very high | 71 Ų | 71 | 67.5 Ų | 67.5 | 31% | 0.311 | 35% | 0.346 | S | S | . | . | trans | -117.1 | 125.6 | 170 | 175.8 | -104.8 | 0 | 0 | 0 | 108.8 | A18 E30 A148 K149 | A18-F28 HydrophobicContact CB-CD2 4.17Å; A18-F28 HydrophobicContact CB-CE2 3.92Å; F28-E30 HydrophobicContact CD1-CG 4.13Å; F28-E30 HydrophobicContact CE1-CG 3.69Å; F28-A148 HydrophobicContact CD2-CB 4.06Å; F28-A148 HydrophobicContact CE2-CB 4.15Å; F28-K149 HydrophobicContact CD1-CB 4.27Å; F28-K149 HydrophobicContact CD1-CG 4.03Å; F28-K149 HydrophobicContact CD2-CB 4.35Å; F28-K149 HydrophobicContact CE1-CB 3.99Å; F28-K149 HydrophobicContact CE1-CD 4.18Å; F28-K149 HydrophobicContact CE1-CG 3.79Å; F28-K149 HydrophobicContact CE2-CB 4.1Å; F28-K149 HydrophobicContact CG-CB 4.44Å; F28-K149 HydrophobicContact CZ-CB 3.91Å; F28-K149 HydrophobicContact CZ-CG 4.2Å | ||
| 29 | V | 91 | Very high | 93.1 | Very high | 85 Ų | 85 | 69.9 Ų | 69.9 | 52% | 0.515 | 36% | 0.361 | S | S | . | . | trans | -105 | 118 | 177.7 | -178.9 | 0 | 0 | 0 | 0 | 107.9 | I27 K31 | I27-V29 HydrophobicContact CD1-CG2 4.25Å; V29-K31 VanDerWaalsContact C-N 3.31Å; V29-K31 HydrophobicContact CG1-CB 4.28Å; V29-K31 PolarHBondContact O-N 2.93Å | ||
| 30 | E | 88.1 | Confident | 93.1 | Very high | 160 Ų | 160 | 71.9 Ų | 71.9 | 75% | 0.748 | 37% | 0.369 | S | S | * | . | trans | -69.5 | -29.4 | -177.4 | -74.3 | -176.4 | 171.8 | 0 | 0 | 113.1 | F28 Y32 | F28-E30 HydrophobicContact CD1-CG 4.13Å; F28-E30 HydrophobicContact CE1-CG 3.69Å; E30-Y32 PolarHBondContact O-N 2.94Å | ||
| 31 | K | 88 | Confident | 93.1 | Very high | 171 Ų | 171 | 78.3 Ų | 78.3 | 74% | 0.743 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -69.6 | 124.4 | 179.8 | -173.2 | -177 | 176.2 | -168.9 | 0 | 110.1 | V29 | V29-K31 VanDerWaalsContact C-N 3.31Å; V29-K31 HydrophobicContact CG1-CB 4.28Å; V29-K31 PolarHBondContact O-N 2.93Å |
| 32 | Y | 81.1 | Confident | 93.1 | Very high | 132 Ų | 132 | 80 Ų | 80 | 52% | 0.518 | 40% | 0.399 | S | S | . | . | trans | -87.2 | 128.9 | 171.7 | -179.7 | -113.1 | 0 | 0 | 0 | 111 | G13 E30 P34 | G13-Y32 PolarHBondContact N-OH 2.93Å; E30-Y32 PolarHBondContact O-N 2.94Å; Y32-P34 HydrophobicContact CE1-CG 3.87Å | ||
| 33 | D | 87.7 | Confident | 93.1 | Very high | 119 Ų | 119 | 84.5 Ų | 84.5 | 64% | 0.636 | 42% | 0.42 | S | S | * | . | trans | -131.6 | 123.2 | 168.6 | -164.3 | 0.7 | 0 | 0 | 0 | 107.7 | T35 | D33-T35 PolarHBondContact O-N 2.95Å; D33-T35 VanDerWaalsContact O-N 3.14Å | ||
| 34 | P | 89.8 | Confident | 93.1 | Very high | 62 Ų | 62 | 85 Ų | 85 | 40% | 0.403 | 42% | 0.423 | S | S | . | . | trans | -58.3 | 116.6 | 178.5 | -25.7 | 34.8 | 0 | 0 | 0 | 112.4 | Y32 | Y32-P34 HydrophobicContact CE1-CG 3.87Š| ||
| 35 | T | 86.8 | Confident | 93.1 | Very high | 17 Ų | 17 | 89 Ų | 89 | 10% | 0.104 | 44% | 0.44 | C | S | . | . | trans | -67 | 140.6 | 174 | -52.6 | 0 | 0 | 0 | 0 | 111.2 | S17 D33 D38 A59 | S17-T35 PolarHBondContact OG-OG1 3.18Å; D33-T35 PolarHBondContact O-N 2.95Å; D33-T35 VanDerWaalsContact O-N 3.14Å; T35-D38 HydrophobicContact CG2-CB 4.43Å; T35-A59 WeakPolarHBondContact O-CA 3.33Å; T35-A59 WeakPolarHBondContact O-CB 3.22Å | ||
| 36 | I | 86.5 | Confident | 93.1 | Very high | 117 Ų | 117 | 84 Ų | 84 | 60% | 0.6 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -87.6 | -64.2 | 164.7 | -64.3 | 172.5 | 0 | 0 | 0 | 108 | A59 F64 | I36-A59 WeakPolarHBondContact O-CB 3.47Å; I36-A59 PolarHBondContact O-N 3.34Å; I36-A59 VanDerWaalsContact O-N 3.1Å; I36-F64 HydrophobicContact CG1-CE2 4.13Å; I36-F64 HydrophobicContact CG1-CZ 4.34Å; I36-F64 HydrophobicContact CG2-CE2 4.21Å; I36-F64 HydrophobicContact CG2-CZ 4.3Å |
| 37 | E | 90.4 | Very high | 93 | Very high | 96 Ų | 96 | 86.6 Ų | 86.6 | 45% | 0.449 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | 130.1 | 173.1 | -174.9 | 177.7 | 90.6 | 0 | 0 | 107.6 | L56 D57 | E37-L56 HydrophobicContact CG-CD1 3.55Å; E37-L56 HydrophobicContact CG-CD2 4.48Å; E37-L56 HydrophobicContact CG-CG 4.12Å; E37-D57 WeakPolarHBondContact CA-O 3.46Å |
| 38 | D | 94.7 | Very high | 92.8 | Very high | 73 Ų | 73 | 86.7 Ų | 86.7 | 39% | 0.39 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 138.5 | 175.4 | -76.8 | -55.1 | 0 | 0 | 0 | 110.1 | T35 Y40 D57 | T35-D38 HydrophobicContact CG2-CB 4.43Å; D38-Y40 HydrophobicContact CB-CD2 4.35Å; D38-Y40 HydrophobicContact CB-CE2 3.51Å; D38-D57 HydrophobicContact CB-CB 4.41Å; D38-D57 PolarHBondContact N-O 3.42Å; D38-D57 PolarHBondContact O-N 2.79Å |
| 39 | S | 96.4 | Very high | 92.7 | Very high | 72 Ų | 72 | 85.9 Ų | 85.9 | 50% | 0.503 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.4 | 178.2 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | I55 | S39-I55 WeakPolarHBondContact CA-O 3.45Å |
| 40 | Y | 98.2 | Very high | 93 | Very high | 46 Ų | 46 | 87.7 Ų | 87.7 | 18% | 0.18 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 150.3 | 179.2 | -61 | -94.2 | 0 | 0 | 0 | 111.1 | T20 V21 V24 D38 E54 I55 D57 | T20-Y40 HydrophobicContact CG2-CD2 3.41Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.41Å; T20-Y40 HydrophobicContact CG2-CE2 3.86Å; T20-Y40 HydrophobicContact CG2-CG 3.92Å; V21-Y40 HydrophobicContact CG2-CE1 4.33Å; V24-Y40 HydrophobicContact CB-CD1 4.44Å; V24-Y40 HydrophobicContact CG1-CD1 4.18Å; V24-Y40 HydrophobicContact CG2-CD1 4.38Å; V24-Y40 HydrophobicContact CG2-CG 4.22Å; D38-Y40 HydrophobicContact CB-CD2 4.35Å; D38-Y40 HydrophobicContact CB-CE2 3.51Å; Y40-E54 CarbonylContact O-C 3.57Å; Y40-E54 WeakPolarHBondContact O-CA 3.5Å; Y40-I55 PolarHBondContact N-O 2.89Å; Y40-I55 PolarHBondContact O-N 3.38Å; Y40-D57 HydrophobicContact CD2-CB 4.47Å; Y40-D57 HydrophobicContact CE2-CB 4.11Å |
| 41 | R | 98.3 | Very high | 93.5 | Very high | 136 Ų | 136 | 80.2 Ų | 80.2 | 51% | 0.513 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 134.4 | 171.8 | -63.2 | -176.4 | 76.4 | -173.9 | 7.7 | 110.7 | E3 M52 L53 | E3-R41 IonicContact OE1-NH2 4Å; E3-R41 PolarHBondContact OE1-NH2 2.94Å; E3-R41 IonicContact OE2-NH2 3.68Å; R41-M52 HydrophobicContact CB-SD 4.03Å; R41-L53 CarbonylContact C-O 3.46Å; R41-L53 VanDerWaalsContact CA-O 3.23Å; R41-L53 WeakPolarHBondContact CA-O 3.16Å |
| 42 | K | 98.4 | Very high | 94 | Very high | 54 Ų | 54 | 73.7 Ų | 73.7 | 24% | 0.235 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 127 | 175.2 | -165.4 | -170.3 | -174 | -179.4 | 0 | 110.7 | F23 V24 V44 L53 | F23-K42 HydrophobicContact CD1-CD 3.92Å; F23-K42 HydrophobicContact CE1-CB 4.2Å; F23-K42 HydrophobicContact CE1-CD 3.51Å; F23-K42 HydrophobicContact CE1-CG 4.45Å; F23-K42 HydrophobicContact CE2-CD 4.41Å; F23-K42 HydrophobicContact CZ-CD 3.81Å; F23-K42 WeakPolarHBondContact O-CE 3.48Å; F23-K42 PolarHBondContact O-NZ 3.28Å; V24-K42 HydrophobicContact CG2-CB 4.47Å; K42-V44 HydrophobicContact CB-CG1 4.43Å; K42-V44 HydrophobicContact CD-CG1 3.61Å; K42-V44 HydrophobicContact CG-CG1 3.86Å; K42-L53 PolarHBondContact N-O 3.26Å; K42-L53 PolarHBondContact O-N 2.98Å |
| 43 | Q | 98.4 | Very high | 94.8 | Very high | 106 Ų | 106 | 67.4 Ų | 67.4 | 50% | 0.495 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 128.7 | 166.9 | -176.4 | 173.3 | 5.9 | 0 | 0 | 109.4 | M1 C51 M52 | M1-Q43 HydrophobicContact CE-CB 4.26Å; M1-Q43 HydrophobicContact CE-CG 3.7Å; M1-Q43 HydrophobicContact SD-CG 3.89Å; M1-Q43 PolarHBondContact SD-NE2 3.35Å; Q43-C51 WeakPolarHBondContact CA-O 3.47Å; Q43-M52 HydrophobicContact CB-CE 4.33Å |
| 44 | V | 98.2 | Very high | 95.3 | Very high | 11 Ų | 11 | 64.4 Ų | 64.4 | 7% | 0.067 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 164.9 | 179.7 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | F23 K42 V46 Q50 C51 L53 Y159 | F23-V44 HydrophobicContact CE1-CG1 4.48Å; F23-V44 HydrophobicContact CZ-CG1 3.84Å; K42-V44 HydrophobicContact CB-CG1 4.43Å; K42-V44 HydrophobicContact CD-CG1 3.61Å; K42-V44 HydrophobicContact CG-CG1 3.86Å; V44-V46 HydrophobicContact CG2-CG2 4.08Å; V44-Q50 CarbonylContact O-C 3.57Å; V44-Q50 WeakPolarHBondContact O-CA 3.3Å; V44-C51 VanDerWaalsContact CG2-SG 3.55Å; V44-C51 PolarHBondContact N-O 2.78Å; V44-C51 PolarHBondContact O-N 2.65Å; V44-L53 HydrophobicContact CG2-CD1 3.85Å; V44-L53 HydrophobicContact CG2-CD2 4.29Å; V44-L53 HydrophobicContact CG2-CG 3.8Å; V44-Y159 HydrophobicContact CB-CE1 3.93Å; V44-Y159 HydrophobicContact CG1-CE1 4.13Å; V44-Y159 HydrophobicContact CG2-CE1 3.97Å |
| 45 | E | 97.4 | Very high | 95.7 | Very high | 117 Ų | 117 | 61.5 Ų | 61.5 | 55% | 0.547 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.6 | 170.4 | -170.9 | 176.9 | 116.5 | 0 | 0 | 109.6 | Q49 | E45-Q49 WeakPolarHBondContact CA-O 3.49Å |
| 46 | V | 96.5 | Very high | 96.3 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.024 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 123.8 | 174.5 | -177.3 | 0 | 0 | 0 | 0 | 108 | V44 A48 Q49 Y159 V162 R163 | V44-V46 HydrophobicContact CG2-CG2 4.08Å; V46-A48 VanDerWaalsContact C-N 3.31Å; V46-A48 PolarHBondContact O-N 3.33Å; V46-Q49 PolarHBondContact N-O 3.36Å; V46-Q49 PolarHBondContact O-N 2.8Å; V46-Y159 HydrophobicContact CG2-CD1 3.5Å; V46-Y159 HydrophobicContact CG2-CE1 3.97Å; V46-Y159 HydrophobicContact CG2-CG 3.92Å; V46-V162 HydrophobicContact CB-CG1 3.93Å; V46-V162 HydrophobicContact CG1-CB 4.36Å; V46-V162 HydrophobicContact CG1-CG1 3.92Å; V46-V162 HydrophobicContact CG2-CB 4.29Å; V46-V162 HydrophobicContact CG2-CG1 4.04Å; V46-V162 HydrophobicContact CG2-CG2 4.45Å; V46-R163 HydrophobicContact CG1-CG 4.01Å |
| 47 | D | 94.8 | Very high | 96.7 | Very high | 88 Ų | 88 | 56.5 Ų | 56.5 | 47% | 0.471 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 47.8 | -179.6 | -52.4 | -22.3 | 0 | 0 | 0 | 112.8 | Q49 R163 | D47-Q49 PolarHBondContact O-N 2.74Å; D47-R163 IonicContact OD1-CZ 2.87Å; D47-R163 IonicContact OD1-NE 3.2Å; D47-R163 PolarHBondContact OD1-NE 3.05Å; D47-R163 IonicContact OD1-NH2 3.3Å; D47-R163 PolarHBondContact OD1-NH2 2.92Å; D47-R163 WeakPolarHBondContact OD2-CG 3.48Å; D47-R163 IonicContact OD2-NE 2.79Å; D47-R163 PolarHBondContact OD2-NE 2.93Å |
| 48 | A | 93.8 | Very high | 96.9 | Very high | 83 Ų | 83 | 52 Ų | 52 | 69% | 0.686 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 25.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V46 | V46-A48 VanDerWaalsContact C-N 3.31Å; V46-A48 PolarHBondContact O-N 3.33Å |
| 49 | Q | 93.4 | Very high | 96.8 | Very high | 54 Ų | 54 | 49 Ų | 49 | 25% | 0.252 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 119.7 | 174.5 | -59.9 | -168.2 | -92.2 | 0 | 0 | 110.8 | E45 V46 D47 C51 | E45-Q49 WeakPolarHBondContact CA-O 3.49Å; V46-Q49 PolarHBondContact N-O 3.36Å; V46-Q49 PolarHBondContact O-N 2.8Å; D47-Q49 PolarHBondContact O-N 2.74Å; Q49-C51 PolarHBondContact O-N 3.27Å |
| 50 | Q | 96.6 | Very high | 96.3 | Very high | 124 Ų | 124 | 45.7 Ų | 45.7 | 58% | 0.579 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 132.8 | 170.7 | -66.7 | -173.4 | -16 | 0 | 0 | 110.3 | M1 V44 | M1-Q50 WeakPolarHBondContact CG-O 3.47Å; M1-Q50 HydrophobicContact SD-CB 3.91Å; V44-Q50 CarbonylContact O-C 3.57Å; V44-Q50 WeakPolarHBondContact O-CA 3.3Å |
| 51 | C | 97.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.02 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 158.6 | 177.2 | 55.9 | 0 | 0 | 0 | 0 | 112 | M1 R2 Y4 Q43 V44 Q49 | M1-C51 VanDerWaalsContact CG-CA 3.45Å; M1-C51 VanDerWaalsContact SD-C 3.52Å; R2-C51 WeakPolarHBondContact O-CA 3.08Å; R2-C51 WeakPolarHBondContact O-CB 3.35Å; Y4-C51 HydrophobicContact CD2-CB 3.8Å; Y4-C51 HydrophobicContact CE2-CB 3.35Å; Q43-C51 WeakPolarHBondContact CA-O 3.47Å; V44-C51 VanDerWaalsContact CG2-SG 3.55Å; V44-C51 PolarHBondContact N-O 2.78Å; V44-C51 PolarHBondContact O-N 2.65Å; Q49-C51 PolarHBondContact O-N 3.27Å |
| 52 | M | 98.5 | Very high | 94.4 | Very high | 33 Ų | 33 | 43.3 Ų | 43.3 | 16% | 0.163 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 126.9 | 169.8 | -173.3 | 61.3 | 75.4 | 0 | 0 | 108.7 | M1 R2 E3 Y4 R41 Q43 | M1-M52 HydrophobicContact CE-CB 3.76Å; M1-M52 HydrophobicContact CE-CE 3.77Å; R2-M52 PolarHBondContact O-N 3.37Å; E3-M52 CarbonylContact C-O 3.59Å; E3-M52 VanDerWaalsContact CA-O 3.31Å; E3-M52 WeakPolarHBondContact CA-O 3.38Å; E3-M52 HydrophobicContact CB-CB 4.45Å; E3-M52 HydrophobicContact CG-CB 4.07Å; Y4-M52 PolarHBondContact N-O 3.49Å; R41-M52 HydrophobicContact CB-SD 4.03Å; Q43-M52 HydrophobicContact CB-CE 4.33Å |
| 53 | L | 98.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.8 | 167.3 | -51.1 | -170.5 | 0 | 0 | 0 | 108.8 | Y4 L6 F23 R41 K42 V44 I55 F158 V162 | Y4-L53 HydrophobicContact CD2-CD2 3.89Å; Y4-L53 HydrophobicContact CG-CD2 4.09Å; L6-L53 HydrophobicContact CD1-CD1 4.03Å; L6-L53 HydrophobicContact CD1-CD2 4.42Å; F23-L53 HydrophobicContact CE1-CD1 3.9Å; F23-L53 HydrophobicContact CZ-CD1 3.78Å; R41-L53 CarbonylContact C-O 3.46Å; R41-L53 VanDerWaalsContact CA-O 3.23Å; R41-L53 WeakPolarHBondContact CA-O 3.16Å; K42-L53 PolarHBondContact N-O 3.26Å; K42-L53 PolarHBondContact O-N 2.98Å; V44-L53 HydrophobicContact CG2-CD1 3.85Å; V44-L53 HydrophobicContact CG2-CD2 4.29Å; V44-L53 HydrophobicContact CG2-CG 3.8Å; L53-I55 HydrophobicContact CB-CD1 4.42Å; L53-I55 HydrophobicContact CB-CG1 4.21Å; L53-F158 HydrophobicContact CD1-CB 4.04Å; L53-V162 HydrophobicContact CD1-CG2 4.24Å; L53-V162 HydrophobicContact CD2-CG2 3.37Å; L53-V162 HydrophobicContact CG-CG2 4.47Å |
| 54 | E | 98.5 | Very high | 92 | Very high | 57 Ų | 57 | 44.4 Ų | 44.4 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 111.5 | 164.9 | -176.9 | -175.8 | 169 | 0 | 0 | 106.4 | Y4 K5 L6 Y40 | Y4-E54 PolarHBondContact O-N 2.86Å; K5-E54 CarbonylContact C-O 3.49Å; K5-E54 WeakPolarHBondContact CA-O 3.28Å; K5-E54 VanDerWaalsContact CE-OE2 3.28Å; K5-E54 WeakPolarHBondContact CE-OE2 3.36Å; K5-E54 HydrophobicContact CG-CB 4.5Å; K5-E54 IonicContact NZ-OE2 3.91Å; L6-E54 PolarHBondContact N-O 2.96Å; Y40-E54 CarbonylContact O-C 3.57Å; Y40-E54 WeakPolarHBondContact O-CA 3.5Å |
| 55 | I | 98.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 116 | -175.2 | -57.7 | 166.5 | 0 | 0 | 0 | 108 | L6 V8 T20 F23 V24 S39 Y40 L53 F158 | L6-I55 HydrophobicContact CB-CG1 4.33Å; L6-I55 HydrophobicContact CD1-CG1 4.48Å; L6-I55 WeakPolarHBondContact O-CA 3.47Å; V8-I55 HydrophobicContact CG2-CG2 3.8Å; T20-I55 HydrophobicContact CG2-CB 4.31Å; T20-I55 HydrophobicContact CG2-CG2 3.72Å; F23-I55 HydrophobicContact CD1-CD1 3.48Å; F23-I55 VanDerWaalsContact CD1-CD1 3.48Å; F23-I55 HydrophobicContact CE1-CD1 3.57Å; V24-I55 HydrophobicContact CG2-CD1 4.27Å; S39-I55 WeakPolarHBondContact CA-O 3.45Å; Y40-I55 PolarHBondContact N-O 2.89Å; Y40-I55 PolarHBondContact O-N 3.38Å; L53-I55 HydrophobicContact CB-CD1 4.42Å; L53-I55 HydrophobicContact CB-CG1 4.21Å; I55-F158 HydrophobicContact CD1-CD1 3.71Å; I55-F158 HydrophobicContact CD1-CE1 3.68Å; I55-F158 HydrophobicContact CD1-CG 4.35Å; I55-F158 HydrophobicContact CD1-CZ 4.3Å; I55-F158 HydrophobicContact CG1-CD1 4.2Å; I55-F158 HydrophobicContact CG1-CE1 4.18Å; I55-F158 HydrophobicContact CG2-CE1 3.9Å |
| 56 | L | 97.6 | Very high | 89.5 | Confident | 29 Ų | 29 | 47.1 Ų | 47.1 | 15% | 0.152 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 111.1 | 170.9 | -167 | 71.1 | 0 | 0 | 0 | 109.4 | L6 V7 V8 E37 T58 Y71 | L6-L56 PolarHBondContact O-N 3.34Å; V7-L56 HydrophobicContact CG1-CB 4.38Å; V7-L56 HydrophobicContact CG1-CD2 4.32Å; V7-L56 HydrophobicContact CG2-CB 4.38Å; V8-L56 PolarHBondContact N-O 3.01Å; E37-L56 HydrophobicContact CG-CD1 3.55Å; E37-L56 HydrophobicContact CG-CD2 4.48Å; E37-L56 HydrophobicContact CG-CG 4.12Å; L56-T58 HydrophobicContact CD2-CG2 4.21Å; L56-T58 HydrophobicContact CG-CG2 4.19Å; L56-Y71 HydrophobicContact CD2-CD1 4.03Å; L56-Y71 HydrophobicContact CD2-CG 3.86Å |
| 57 | D | 95.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 131 | 167.5 | -175.7 | 31.6 | 0 | 0 | 0 | 109.2 | K16 S17 T20 E37 D38 Y40 | K16-D57 VanDerWaalsContact CB-OD1 3.28Å; K16-D57 WeakPolarHBondContact CB-OD1 3.33Å; S17-D57 WeakPolarHBondContact CA-OD2 3.4Å; S17-D57 WeakPolarHBondContact CB-OD2 3.47Å; S17-D57 PolarHBondContact N-OD1 2.94Å; S17-D57 PolarHBondContact OG-OD2 3.23Å; T20-D57 HydrophobicContact CG2-CB 4.4Å; E37-D57 WeakPolarHBondContact CA-O 3.46Å; D38-D57 HydrophobicContact CB-CB 4.41Å; D38-D57 PolarHBondContact N-O 3.42Å; D38-D57 PolarHBondContact O-N 2.79Å; Y40-D57 HydrophobicContact CD2-CB 4.47Å; Y40-D57 HydrophobicContact CE2-CB 4.11Å |
| 58 | T | 94.7 | Very high | 88.4 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 160.9 | -167.9 | 65.2 | 0 | 0 | 0 | 0 | 111.9 | V7 V8 L9 K16 L56 Y71 | V7-T58 HydrophobicContact CG1-CG2 3.81Å; V8-T58 PolarHBondContact O-OG1 3.01Å; L9-T58 HydrophobicContact CD2-CG2 4.03Å; L9-T58 WeakPolarHBondContact CD2-OG1 3.38Å; K16-T58 WeakPolarHBondContact CE-O 3.49Å; L56-T58 HydrophobicContact CD2-CG2 4.21Å; L56-T58 HydrophobicContact CG-CG2 4.19Å; T58-Y71 HydrophobicContact CG2-CD1 4.41Å; T58-Y71 HydrophobicContact CG2-CE1 4.13Å |
| 59 | A | 92.4 | Very high | 88.3 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 8% | 0.083 | 26% | 0.255 | C | S | . | . | trans | -59.3 | 167.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K16 T35 I36 Q63 F64 | K16-A59 WeakPolarHBondContact CE-O 3.45Å; K16-A59 PolarHBondContact NZ-O 3.18Å; T35-A59 WeakPolarHBondContact O-CA 3.33Å; T35-A59 WeakPolarHBondContact O-CB 3.22Å; I36-A59 WeakPolarHBondContact O-CB 3.47Å; I36-A59 PolarHBondContact O-N 3.34Å; I36-A59 VanDerWaalsContact O-N 3.1Å; A59-Q63 HydrophobicContact CB-CB 3.94Å; A59-F64 HydrophobicContact CB-CD2 3.86Å | ||
| 60 | G | 86.6 | Confident | 88.2 | Confident | 4 Ų | 4 | 50 Ų | 50 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | trans | -56.3 | 155.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E62 Q63 R68 | G60-E62 VanDerWaalsContact C-OE2 3.26Å; G60-E62 WeakPolarHBondContact CA-OE2 3.32Å; G60-E62 PolarHBondContact O-N 2.94Å; G60-E62 VanDerWaalsContact O-N 3.11Å; G60-Q63 PolarHBondContact O-N 3.12Å; G60-R68 PolarHBondContact O-NH2 3.37Å | ||
| 61 | T | 80.1 | Confident | 88.1 | Confident | 22 Ų | 22 | 45 Ų | 45 | 14% | 0.135 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -17.2 | 176.5 | 48.4 | 0 | 0 | 0 | 0 | 113.7 | G10 S11 Q63 R68 L96 | G10-T61 PolarHBondContact O-N 3.37Å; S11-T61 VanDerWaalsContact CA-OG1 3.27Å; S11-T61 WeakPolarHBondContact CA-OG1 3.44Å; S11-T61 PolarHBondContact OG-OG1 3.43Å; T61-Q63 VanDerWaalsContact C-N 3.34Å; T61-R68 VanDerWaalsContact O-CZ 3.28Å; T61-R68 PolarHBondContact O-NH1 3.45Å; T61-R68 VanDerWaalsContact O-NH1 3.1Å; T61-R68 PolarHBondContact O-NH2 3.5Å; T61-L96 HydrophobicContact CG2-CD1 3.23Å; T61-L96 HydrophobicContact CG2-CD2 3.9Å; T61-L96 HydrophobicContact CG2-CG 3.61Å |
| 62 | E | 76.6 | Confident | 88 | Confident | 110 Ų | 110 | 44.9 Ų | 44.9 | 51% | 0.514 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -9.1 | 175.2 | 70.6 | -67.4 | 169.7 | 0 | 0 | 113.3 | G12 G60 | G12-E62 VanDerWaalsContact CA-OE1 3.32Å; G12-E62 WeakPolarHBondContact CA-OE1 3.41Å; G12-E62 PolarHBondContact N-OE1 3.4Å; G12-E62 PolarHBondContact N-OE2 2.96Å; G60-E62 VanDerWaalsContact C-OE2 3.26Å; G60-E62 WeakPolarHBondContact CA-OE2 3.32Å; G60-E62 PolarHBondContact O-N 2.94Å; G60-E62 VanDerWaalsContact O-N 3.11Å |
| 63 | Q | 74.2 | Confident | 87.9 | Confident | 62 Ų | 62 | 50.2 Ų | 50.2 | 29% | 0.29 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -120.8 | 150.8 | -173.8 | -54.1 | 179.2 | -5.9 | 0 | 0 | 112.3 | A59 G60 T61 T65 R68 | A59-Q63 HydrophobicContact CB-CB 3.94Å; G60-Q63 PolarHBondContact O-N 3.12Å; T61-Q63 VanDerWaalsContact C-N 3.34Å; Q63-T65 PolarHBondContact O-N 3.06Å; Q63-R68 PolarHBondContact O-NH2 3.01Å |
| 64 | F | 70.6 | Confident | 87.7 | Confident | 121 Ų | 121 | 54.4 Ų | 54.4 | 53% | 0.531 | 29% | 0.286 | S | S | . | . | trans | 49 | 50.5 | 168.7 | -57.7 | -77.4 | 0 | 0 | 0 | 116.2 | I36 A59 A66 | I36-F64 HydrophobicContact CG1-CE2 4.13Å; I36-F64 HydrophobicContact CG1-CZ 4.34Å; I36-F64 HydrophobicContact CG2-CE2 4.21Å; I36-F64 HydrophobicContact CG2-CZ 4.3Å; A59-F64 HydrophobicContact CB-CD2 3.86Å; F64-A66 VanDerWaalsContact C-N 3.28Å; F64-A66 PolarHBondContact O-N 2.96Å | ||
| 65 | T | 70 | Confident | 87.7 | Confident | 90 Ų | 90 | 51.8 Ų | 51.8 | 55% | 0.552 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -65.6 | -24.7 | -177.1 | 54.9 | 0 | 0 | 0 | 0 | 114.6 | Q63 M67 R68 | Q63-T65 PolarHBondContact O-N 3.06Å; T65-M67 VanDerWaalsContact C-N 3.26Å; T65-M67 PolarHBondContact O-N 3.18Å; T65-R68 WeakPolarHBondContact O-CG 3.4Å; T65-R68 PolarHBondContact O-N 2.75Å |
| 66 | A | 75 | Confident | 87.7 | Confident | 95 Ų | 95 | 55.3 Ų | 55.3 | 79% | 0.785 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -65.6 | -26 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | F64 | F64-A66 VanDerWaalsContact C-N 3.28Å; F64-A66 PolarHBondContact O-N 2.96Å |
| 67 | M | 80.4 | Confident | 87.7 | Confident | 99 Ų | 99 | 54 Ų | 54 | 49% | 0.488 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -96.3 | -2.6 | -176.2 | -65.6 | -62 | -71.8 | 0 | 0 | 113.5 | T65 D69 L70 Y71 | T65-M67 VanDerWaalsContact C-N 3.26Å; T65-M67 PolarHBondContact O-N 3.18Å; M67-D69 VanDerWaalsContact C-N 3.35Å; M67-D69 PolarHBondContact O-N 2.84Å; M67-L70 HydrophobicContact CE-CD2 3.68Å; M67-L70 WeakPolarHBondContact O-CB 3.35Å; M67-L70 PolarHBondContact O-N 2.82Å; M67-L70 VanDerWaalsContact O-N 3.17Å; M67-Y71 WeakPolarHBondContact O-CD1 3.44Å |
| 68 | R | 87.1 | Confident | 87.9 | Confident | 19 Ų | 19 | 54 Ų | 54 | 7% | 0.072 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -44.5 | -173.3 | -59.5 | -145.5 | 170.3 | 130.7 | 16.1 | 113.6 | G60 T61 Q63 T65 L70 Y71 M72 | G60-R68 PolarHBondContact O-NH2 3.37Å; T61-R68 VanDerWaalsContact O-CZ 3.28Å; T61-R68 PolarHBondContact O-NH1 3.45Å; T61-R68 VanDerWaalsContact O-NH1 3.1Å; T61-R68 PolarHBondContact O-NH2 3.5Å; Q63-R68 PolarHBondContact O-NH2 3.01Å; T65-R68 WeakPolarHBondContact O-CG 3.4Å; T65-R68 PolarHBondContact O-N 2.75Å; R68-L70 PolarHBondContact O-N 2.79Å; R68-L70 VanDerWaalsContact O-N 3.16Å; R68-Y71 HydrophobicContact CB-CE1 4.44Å; R68-Y71 HydrophobicContact CB-CE2 4.03Å; R68-Y71 VanDerWaalsContact CD-OH 3.27Å; R68-Y71 WeakPolarHBondContact CD-OH 3.31Å; R68-Y71 HydrophobicContact CG-CE1 4.41Å; R68-Y71 HydrophobicContact CG-CE2 4.39Å; R68-Y71 WeakPolarHBondContact CG-OH 3.46Å; R68-Y71 PolarHBondContact NE-OH 2.89Å; R68-Y71 WeakPolarHBondContact O-CD2 3.4Å; R68-Y71 WeakPolarHBondContact O-CE2 3.38Å; R68-Y71 PolarHBondContact O-N 3.4Å; R68-M72 HydrophobicContact CB-CE 4.09Å; R68-M72 HydrophobicContact CB-SD 4.33Å; R68-M72 WeakPolarHBondContact O-CB 3.12Å; R68-M72 VanDerWaalsContact O-CG 3.23Å; R68-M72 WeakPolarHBondContact O-CG 3.27Å; R68-M72 PolarHBondContact O-N 3Å |
| 69 | D | 91.4 | Very high | 88.1 | Confident | 78 Ų | 78 | 54 Ų | 54 | 42% | 0.417 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.1 | -29.6 | -176.4 | -69.1 | 3.5 | 0 | 0 | 0 | 111 | M67 K73 Q99 V103 | M67-D69 VanDerWaalsContact C-N 3.35Å; M67-D69 PolarHBondContact O-N 2.84Å; D69-K73 WeakPolarHBondContact O-CB 3.42Å; D69-K73 PolarHBondContact O-N 2.86Å; D69-Q99 PolarHBondContact OD1-NE2 3.33Å; D69-V103 HydrophobicContact CB-CG2 4.22Å |
| 70 | L | 92.2 | Very high | 88.4 | Confident | 92 Ų | 92 | 53.5 Ų | 53.5 | 48% | 0.482 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.8 | -52.8 | 179 | -176.2 | 63.5 | 0 | 0 | 0 | 112 | M67 R68 M72 K73 N74 | M67-L70 HydrophobicContact CE-CD2 3.68Å; M67-L70 WeakPolarHBondContact O-CB 3.35Å; M67-L70 PolarHBondContact O-N 2.82Å; M67-L70 VanDerWaalsContact O-N 3.17Å; R68-L70 PolarHBondContact O-N 2.79Å; R68-L70 VanDerWaalsContact O-N 3.16Å; L70-M72 VanDerWaalsContact C-N 3.35Å; L70-K73 PolarHBondContact O-N 3.48Å; L70-N74 WeakPolarHBondContact O-CB 3.49Å; L70-N74 PolarHBondContact O-N 2.86Å; L70-N74 PolarHBondContact O-ND2 2.92Å |
| 71 | Y | 93 | Very high | 88.9 | Confident | 20 Ų | 20 | 53.3 Ų | 53.3 | 8% | 0.078 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73.1 | -28.7 | 179.3 | 56.6 | -119.1 | 0 | 0 | 0 | 112.4 | V7 L9 L56 T58 M67 R68 N74 G75 | V7-Y71 HydrophobicContact CG1-CD2 3.9Å; V7-Y71 HydrophobicContact CG1-CE2 4.41Å; V7-Y71 HydrophobicContact CG1-CG 4.4Å; L9-Y71 HydrophobicContact CD1-CE2 4.41Å; L9-Y71 HydrophobicContact CD2-CD2 4.35Å; L9-Y71 HydrophobicContact CD2-CE2 3.45Å; L9-Y71 VanDerWaalsContact CD2-CE2 3.45Å; L9-Y71 HydrophobicContact CG-CE2 4.49Å; L56-Y71 HydrophobicContact CD2-CD1 4.03Å; L56-Y71 HydrophobicContact CD2-CG 3.86Å; T58-Y71 HydrophobicContact CG2-CD1 4.41Å; T58-Y71 HydrophobicContact CG2-CE1 4.13Å; M67-Y71 WeakPolarHBondContact O-CD1 3.44Å; R68-Y71 HydrophobicContact CB-CE1 4.44Å; R68-Y71 HydrophobicContact CB-CE2 4.03Å; R68-Y71 VanDerWaalsContact CD-OH 3.27Å; R68-Y71 WeakPolarHBondContact CD-OH 3.31Å; R68-Y71 HydrophobicContact CG-CE1 4.41Å; R68-Y71 HydrophobicContact CG-CE2 4.39Å; R68-Y71 WeakPolarHBondContact CG-OH 3.46Å; R68-Y71 PolarHBondContact NE-OH 2.89Å; R68-Y71 WeakPolarHBondContact O-CD2 3.4Å; R68-Y71 WeakPolarHBondContact O-CE2 3.38Å; R68-Y71 PolarHBondContact O-N 3.4Å; Y71-N74 PolarHBondContact O-N 3.4Å; Y71-G75 WeakPolarHBondContact O-CA 3.36Å; Y71-G75 PolarHBondContact O-N 2.82Å |
| 72 | M | 95.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.7 | -39.1 | 172.1 | -70.3 | 178.4 | -178.2 | 0 | 0 | 110.9 | L9 R68 L70 F78 L96 Q99 I100 V103 K104 | L9-M72 HydrophobicContact CD1-CE 4.19Å; R68-M72 HydrophobicContact CB-CE 4.09Å; R68-M72 HydrophobicContact CB-SD 4.33Å; R68-M72 WeakPolarHBondContact O-CB 3.12Å; R68-M72 VanDerWaalsContact O-CG 3.23Å; R68-M72 WeakPolarHBondContact O-CG 3.27Å; R68-M72 PolarHBondContact O-N 3Å; L70-M72 VanDerWaalsContact C-N 3.35Å; M72-F78 HydrophobicContact CG-CE1 4.44Å; M72-F78 WeakPolarHBondContact O-CZ 3.42Å; M72-L96 HydrophobicContact CE-CD2 4.01Å; M72-Q99 HydrophobicContact CE-CB 4.24Å; M72-Q99 HydrophobicContact CE-CG 4.06Å; M72-Q99 HydrophobicContact SD-CB 4.16Å; M72-Q99 HydrophobicContact SD-CG 3.63Å; M72-I100 HydrophobicContact CE-CG1 3.84Å; M72-I100 HydrophobicContact CG-CG1 3.98Å; M72-I100 HydrophobicContact SD-CG1 3.8Å; M72-V103 HydrophobicContact CB-CB 4.04Å; M72-V103 HydrophobicContact CB-CG1 3.73Å; M72-V103 HydrophobicContact CB-CG2 4.36Å; M72-V103 HydrophobicContact SD-CG2 4.35Å; M72-K104 WeakPolarHBondContact O-CE 3.41Å; M72-K104 PolarHBondContact O-NZ 2.95Å |
| 73 | K | 96.2 | Very high | 90.9 | Very high | 146 Ų | 146 | 47.1 Ų | 47.1 | 64% | 0.635 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -64.5 | -43.6 | 174.3 | -174.9 | 173.7 | -177.4 | 175.3 | 0 | 111.6 | D69 L70 V103 K104 | D69-K73 WeakPolarHBondContact O-CB 3.42Å; D69-K73 PolarHBondContact O-N 2.86Å; L70-K73 PolarHBondContact O-N 3.48Å; K73-V103 HydrophobicContact CB-CG1 3.96Å; K73-K104 PolarHBondContact O-NZ 3.3Å |
| 74 | N | 95.7 | Very high | 92.1 | Very high | 88 Ų | 88 | 44.2 Ų | 44.2 | 47% | 0.471 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -84.4 | -26.9 | -174.9 | -67.1 | -23.6 | 0 | 0 | 0 | 114.9 | L70 Y71 | L70-N74 WeakPolarHBondContact O-CB 3.49Å; L70-N74 PolarHBondContact O-N 2.86Å; L70-N74 PolarHBondContact O-ND2 2.92Å; Y71-N74 PolarHBondContact O-N 3.4Å |
| 75 | G | 97.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | trans | -68.3 | 141 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y71 F78 K104 | Y71-G75 WeakPolarHBondContact O-CA 3.36Å; Y71-G75 PolarHBondContact O-N 2.82Å; G75-F78 WeakPolarHBondContact O-CZ 3.37Å; G75-K104 WeakPolarHBondContact O-CE 3.42Å; G75-K104 PolarHBondContact O-NZ 2.92Å | ||
| 76 | Q | 98.4 | Very high | 94.8 | Very high | 74 Ų | 74 | 37 Ų | 37 | 35% | 0.346 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -99.1 | -24.5 | 179 | -64.9 | 172.6 | -64.8 | 0 | 0 | 112.7 | K5 P110 I165 | K5-Q76 HydrophobicContact CB-CG 4.36Å; K5-Q76 WeakPolarHBondContact O-CA 3.29Å; K5-Q76 WeakPolarHBondContact O-CB 3.49Å; K5-Q76 PolarHBondContact O-N 3Å; Q76-P110 WeakPolarHBondContact O-CB 3.49Å; Q76-P110 WeakPolarHBondContact O-CG 3.36Å; Q76-I165 HydrophobicContact CB-CD1 3.72Å; Q76-I165 HydrophobicContact CB-CG1 4.2Å; Q76-I165 WeakPolarHBondContact O-CG1 3.48Å |
| 77 | G | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 147.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K5 L6 V7 P110 | K5-G77 PolarHBondContact O-N 3.16Å; L6-G77 CarbonylContact C-O 3.37Å; L6-G77 WeakPolarHBondContact CA-O 2.96Å; V7-G77 PolarHBondContact N-O 3.17Å; G77-P110 WeakPolarHBondContact CA-O 3.43Å |
| 78 | F | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 122.5 | -169.7 | -58.9 | -86.6 | 0 | 0 | 0 | 111.4 | V7 L9 M72 G75 L80 I100 V109 P110 M111 I112 | V7-F78 HydrophobicContact CB-CD1 3.85Å; V7-F78 HydrophobicContact CB-CE1 3.99Å; V7-F78 HydrophobicContact CG2-CD1 4.29Å; V7-F78 HydrophobicContact CG2-CE1 3.93Å; V7-F78 WeakPolarHBondContact O-CA 3.49Å; L9-F78 HydrophobicContact CD1-CD1 3.9Å; M72-F78 HydrophobicContact CG-CE1 4.44Å; M72-F78 WeakPolarHBondContact O-CZ 3.42Å; G75-F78 WeakPolarHBondContact O-CZ 3.37Å; F78-L80 HydrophobicContact CB-CD1 3.79Å; F78-I100 HydrophobicContact CB-CD1 4.13Å; F78-I100 HydrophobicContact CD1-CD1 4.04Å; F78-I100 HydrophobicContact CD1-CG1 4.35Å; F78-I100 HydrophobicContact CD1-CG2 4.49Å; F78-I100 HydrophobicContact CD2-CG2 3.89Å; F78-I100 HydrophobicContact CE2-CG2 3.94Å; F78-I100 HydrophobicContact CG-CD1 4.06Å; F78-I100 HydrophobicContact CG-CG2 4.18Å; F78-I100 HydrophobicContact CZ-CG2 4.29Å; F78-V109 HydrophobicContact CD2-CG1 3.53Å; F78-V109 HydrophobicContact CE2-CG1 3.63Å; F78-P110 PolarHBondContact N-O 3.28Å; F78-M111 VanDerWaalsContact O-CA 3.31Å; F78-M111 WeakPolarHBondContact O-CA 3.42Å; F78-I112 PolarHBondContact O-N 2.99Å |
| 79 | A | 98.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 2% | 0.017 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 115.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | V7 V8 L9 V81 I112 I157 L161 | V7-A79 PolarHBondContact O-N 3.34Å; V8-A79 HydrophobicContact CG1-CB 4.42Å; V8-A79 HydrophobicContact CG2-CB 4.5Å; L9-A79 PolarHBondContact N-O 3.44Å; A79-V81 HydrophobicContact CB-CG2 4.47Å; A79-I112 HydrophobicContact CB-CG2 4.01Å; A79-I157 HydrophobicContact CB-CG2 3.99Å; A79-L161 HydrophobicContact CB-CD1 4.19Å |
| 80 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 109.4 | 176 | -81.6 | 67.5 | 0 | 0 | 0 | 108.2 | F78 L93 L96 R97 I100 M111 I112 V114 W138 | F78-L80 HydrophobicContact CB-CD1 3.79Å; L80-L93 HydrophobicContact CB-CD1 4.25Å; L80-L93 HydrophobicContact CB-CD2 4.19Å; L80-L96 HydrophobicContact CD2-CB 4.38Å; L80-R97 HydrophobicContact CD2-CB 3.95Å; L80-I100 HydrophobicContact CD1-CD1 3.73Å; L80-I100 HydrophobicContact CD2-CD1 4.4Å; L80-I100 HydrophobicContact CG-CD1 4.4Å; L80-M111 HydrophobicContact CD1-CE 4.05Å; L80-M111 HydrophobicContact CD1-CG 3.81Å; L80-M111 HydrophobicContact CD1-SD 3.93Å; L80-M111 HydrophobicContact CD2-CE 4.46Å; L80-M111 HydrophobicContact CD2-SD 3.98Å; L80-I112 PolarHBondContact N-O 3.2Å; L80-V114 PolarHBondContact O-N 2.64Å; L80-W138 HydrophobicContact CD2-CH2 4.09Å; L80-W138 HydrophobicContact CD2-CZ3 4.07Å |
| 81 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 127.2 | -168.8 | -170.1 | 0 | 0 | 0 | 0 | 110.3 | V8 L9 G10 V14 K16 L19 A79 V114 N116 | V8-V81 HydrophobicContact CG1-CG2 3.66Å; L9-V81 PolarHBondContact O-N 3.36Å; G10-V81 WeakPolarHBondContact CA-O 3.3Å; V14-V81 HydrophobicContact CB-CG1 4.24Å; V14-V81 HydrophobicContact CG2-CB 3.96Å; V14-V81 HydrophobicContact CG2-CG1 3.86Å; V14-V81 WeakPolarHBondContact CG2-O 3.29Å; K16-V81 HydrophobicContact CG-CB 4.37Å; L19-V81 HydrophobicContact CD1-CG1 3.9Å; L19-V81 HydrophobicContact CD1-CG2 4.17Å; A79-V81 HydrophobicContact CB-CG2 4.47Å; V81-V114 WeakPolarHBondContact CA-O 3.42Å; V81-V114 HydrophobicContact CG1-CB 4.46Å; V81-V114 HydrophobicContact CG1-CG1 4.39Å; V81-V114 HydrophobicContact CG2-CB 4.18Å; V81-N116 HydrophobicContact CG1-CB 3.73Å |
| 82 | Y | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 163.3 | 165.7 | 70.1 | -84.2 | 0 | 0 | 0 | 110.5 | I84 T89 F90 L93 L113 V114 N116 V126 F143 | Y82-I84 HydrophobicContact CE2-CG2 4.01Å; Y82-T89 WeakPolarHBondContact CB-O 3.23Å; Y82-F90 AromaticContact CD1-CD2 3.86Å; Y82-F90 HydrophobicContact CD1-CD2 3.86Å; Y82-F90 HydrophobicContact CD2-CB 3.92Å; Y82-F90 AromaticContact CD2-CD2 3.9Å; Y82-F90 HydrophobicContact CD2-CD2 3.9Å; Y82-F90 HydrophobicContact CD2-CG 4.4Å; Y82-F90 AromaticContact CE1-CD2 3.8Å; Y82-F90 HydrophobicContact CE1-CD2 3.8Å; Y82-F90 HydrophobicContact CE1-CE2 4.2Å; Y82-F90 AromaticContact CE2-CD2 3.87Å; Y82-F90 HydrophobicContact CE2-CD2 3.87Å; Y82-F90 HydrophobicContact CG-CB 4.08Å; Y82-F90 AromaticContact CG-CD2 3.91Å; Y82-F90 HydrophobicContact CG-CD2 3.91Å; Y82-F90 AromaticContact CZ-CD2 3.81Å; Y82-L93 HydrophobicContact CD1-CD1 3.74Å; Y82-L93 HydrophobicContact CG-CD1 4.22Å; Y82-L113 HydrophobicContact CD1-CD1 3.82Å; Y82-L113 HydrophobicContact CD1-CG 4.5Å; Y82-L113 HydrophobicContact CE1-CD1 3.91Å; Y82-L113 HydrophobicContact CE1-CG 4.1Å; Y82-V114 VanDerWaalsContact CD1-O 3.23Å; Y82-V114 WeakPolarHBondContact CD1-O 3.3Å; Y82-V114 PolarHBondContact N-O 2.63Å; Y82-N116 PolarHBondContact O-N 3.1Å; Y82-V126 HydrophobicContact CD2-CB 4.49Å; Y82-V126 HydrophobicContact CD2-CG1 4.34Å; Y82-V126 HydrophobicContact CD2-CG2 4.36Å; Y82-V126 HydrophobicContact CE2-CB 3.9Å; Y82-V126 HydrophobicContact CE2-CG1 3.59Å; Y82-V126 HydrophobicContact CE2-CG2 4.26Å; Y82-F143 HydrophobicContact CE1-CE2 4.31Å |
| 83 | S | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 128.2 | 170.8 | -168.8 | 0 | 0 | 0 | 0 | 109.2 | T85 A86 T89 K117 | S83-T85 PolarHBondContact O-N 3.04Å; S83-T85 PolarHBondContact OG-OG1 2.97Å; S83-A86 PolarHBondContact O-N 2.93Å; S83-T89 PolarHBondContact N-OG1 3.28Å; S83-K117 WeakPolarHBondContact OG-CD 3.31Å; S83-K117 WeakPolarHBondContact OG-CE 3.21Å |
| 84 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -17.4 | 175.9 | 65.2 | 152.7 | 0 | 0 | 0 | 112.9 | Y82 N116 K117 C118 R124 V125 V126 | Y82-I84 HydrophobicContact CE2-CG2 4.01Å; I84-N116 PolarHBondContact N-O 2.97Å; I84-K117 WeakPolarHBondContact CD1-O 3.11Å; I84-K117 WeakPolarHBondContact CG1-O 3.04Å; I84-C118 HydrophobicContact CD1-CB 4.45Å; I84-R124 HydrophobicContact CD1-CB 4.07Å; I84-R124 HydrophobicContact CD1-CG 4.15Å; I84-R124 VanDerWaalsContact CD1-CZ 3.45Å; I84-V125 PolarHBondContact O-N 3.43Å; I84-V126 PolarHBondContact O-N 2.84Å |
| 85 | T | 98.8 | Very high | 98.1 | Very high | 33 Ų | 33 | 30.5 Ų | 30.5 | 20% | 0.202 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 0.3 | 179.1 | 68 | 0 | 0 | 0 | 0 | 114 | S83 L120 E123 V125 | S83-T85 PolarHBondContact O-N 3.04Å; S83-T85 PolarHBondContact OG-OG1 2.97Å; T85-L120 HydrophobicContact CG2-CB 3.76Å; T85-L120 HydrophobicContact CG2-CD1 3.97Å; T85-E123 WeakPolarHBondContact CA-O 3.41Å; T85-E123 HydrophobicContact CG2-CB 3.63Å; T85-V125 VanDerWaalsContact C-CG2 3.43Å |
| 86 | A | 98.5 | Very high | 98 | Very high | 28 Ų | 28 | 30.6 Ų | 30.6 | 23% | 0.231 | 17% | 0.168 | C | C | . | . | trans | -143 | 100.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S83 S88 T89 | S83-A86 PolarHBondContact O-N 2.93Å; A86-S88 VanDerWaalsContact C-N 3.28Å; A86-S88 PolarHBondContact O-N 3.34Å; A86-T89 HydrophobicContact CB-CG2 3.78Å; A86-T89 PolarHBondContact O-N 3.4Å; A86-T89 VanDerWaalsContact O-N 3.08Å; A86-T89 PolarHBondContact O-OG1 3.45Å | ||
| 87 | Q | 98.6 | Very high | 97.9 | Very high | 60 Ų | 60 | 28.5 Ų | 28.5 | 28% | 0.28 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -58.1 | -34.1 | -178 | -176.7 | 62.3 | 61.5 | 0 | 0 | 113.7 | T89 F90 N91 V125 V126 | Q87-T89 VanDerWaalsContact C-N 3.3Å; Q87-T89 PolarHBondContact O-N 3.13Å; Q87-F90 VanDerWaalsContact NE2-CD1 3.27Å; Q87-F90 WeakPolarHBondContact O-CB 3.49Å; Q87-F90 PolarHBondContact O-N 3.27Å; Q87-N91 PolarHBondContact NE2-OD1 2.86Å; Q87-N91 VanDerWaalsContact O-CG 3.27Å; Q87-N91 PolarHBondContact O-N 3.2Å; Q87-N91 PolarHBondContact O-OD1 3.06Å; Q87-V125 HydrophobicContact CB-CG2 4.17Å; Q87-V126 HydrophobicContact CB-CG2 4.38Å |
| 88 | S | 97.8 | Very high | 97.8 | Very high | 74 Ų | 74 | 33.2 Ų | 33.2 | 52% | 0.517 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.2 | -42.7 | 175.9 | 50.6 | 0 | 0 | 0 | 0 | 112 | A86 F90 N91 D92 | A86-S88 VanDerWaalsContact C-N 3.28Å; A86-S88 PolarHBondContact O-N 3.34Å; S88-F90 PolarHBondContact O-N 2.86Å; S88-N91 WeakPolarHBondContact O-CB 3.38Å; S88-N91 PolarHBondContact O-N 2.98Å; S88-D92 VanDerWaalsContact O-CG 3.3Å; S88-D92 PolarHBondContact O-N 3.46Å |
| 89 | T | 98.4 | Very high | 97.7 | Very high | 10 Ų | 10 | 34.8 Ų | 34.8 | 6% | 0.061 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.4 | -23.9 | -179 | 72 | 0 | 0 | 0 | 0 | 113.5 | V14 Y82 S83 A86 Q87 L93 | V14-T89 HydrophobicContact CG1-CG2 3.73Å; Y82-T89 WeakPolarHBondContact CB-O 3.23Å; S83-T89 PolarHBondContact N-OG1 3.28Å; A86-T89 HydrophobicContact CB-CG2 3.78Å; A86-T89 PolarHBondContact O-N 3.4Å; A86-T89 VanDerWaalsContact O-N 3.08Å; A86-T89 PolarHBondContact O-OG1 3.45Å; Q87-T89 VanDerWaalsContact C-N 3.3Å; Q87-T89 PolarHBondContact O-N 3.13Å; T89-L93 WeakPolarHBondContact O-CG 3.4Å |
| 90 | F | 98.7 | Very high | 97.6 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 10% | 0.096 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -75.5 | -43.1 | 171.8 | 175.1 | -95.3 | 0 | 0 | 0 | 111.2 | Y82 Q87 S88 D92 L93 V126 Q130 L134 | Y82-F90 AromaticContact CD1-CD2 3.86Å; Y82-F90 HydrophobicContact CD1-CD2 3.86Å; Y82-F90 HydrophobicContact CD2-CB 3.92Å; Y82-F90 AromaticContact CD2-CD2 3.9Å; Y82-F90 HydrophobicContact CD2-CD2 3.9Å; Y82-F90 HydrophobicContact CD2-CG 4.4Å; Y82-F90 AromaticContact CE1-CD2 3.8Å; Y82-F90 HydrophobicContact CE1-CD2 3.8Å; Y82-F90 HydrophobicContact CE1-CE2 4.2Å; Y82-F90 AromaticContact CE2-CD2 3.87Å; Y82-F90 HydrophobicContact CE2-CD2 3.87Å; Y82-F90 HydrophobicContact CG-CB 4.08Å; Y82-F90 AromaticContact CG-CD2 3.91Å; Y82-F90 HydrophobicContact CG-CD2 3.91Å; Y82-F90 AromaticContact CZ-CD2 3.81Å; Q87-F90 VanDerWaalsContact NE2-CD1 3.27Å; Q87-F90 WeakPolarHBondContact O-CB 3.49Å; Q87-F90 PolarHBondContact O-N 3.27Å; S88-F90 PolarHBondContact O-N 2.86Å; F90-D92 VanDerWaalsContact C-N 3.33Å; F90-D92 PolarHBondContact O-N 3.4Å; F90-L93 PolarHBondContact O-N 3.17Å; F90-V126 HydrophobicContact CB-CG1 4.4Å; F90-V126 HydrophobicContact CB-CG2 4.14Å; F90-V126 HydrophobicContact CD2-CG1 3.91Å; F90-V126 HydrophobicContact CE2-CG1 4.27Å; F90-V126 HydrophobicContact CG-CG1 4.07Å; F90-Q130 HydrophobicContact CZ-CB 4.15Å; F90-L134 HydrophobicContact CD2-CD2 4.29Å; F90-L134 HydrophobicContact CE1-CD2 4.07Å; F90-L134 HydrophobicContact CE2-CB 4.22Å; F90-L134 HydrophobicContact CE2-CD2 3.53Å; F90-L134 HydrophobicContact CZ-CB 3.78Å; F90-L134 HydrophobicContact CZ-CD2 3.43Å; F90-L134 VanDerWaalsContact CZ-CD2 3.43Å; F90-L134 HydrophobicContact CZ-CG 4.18Å |
| 91 | N | 97.8 | Very high | 97.5 | Very high | 94 Ų | 94 | 35.7 Ų | 35.7 | 50% | 0.503 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.2 | -38.4 | -179.1 | -60.5 | -13.7 | 0 | 0 | 0 | 111.8 | Q87 S88 L93 Q94 | Q87-N91 PolarHBondContact NE2-OD1 2.86Å; Q87-N91 VanDerWaalsContact O-CG 3.27Å; Q87-N91 PolarHBondContact O-N 3.2Å; Q87-N91 PolarHBondContact O-OD1 3.06Å; S88-N91 WeakPolarHBondContact O-CB 3.38Å; S88-N91 PolarHBondContact O-N 2.98Å; N91-L93 PolarHBondContact O-N 3.28Å; N91-L93 VanDerWaalsContact O-N 3.11Å; N91-Q94 PolarHBondContact O-N 2.83Å |
| 92 | D | 96 | Very high | 97.4 | Very high | 62 Ų | 62 | 44 Ų | 44 | 33% | 0.332 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -20.9 | 179.3 | -65.8 | -10.7 | 0 | 0 | 0 | 113.5 | S11 S88 F90 Q94 L96 | S11-D92 PolarHBondContact OG-OD2 2.93Å; S88-D92 VanDerWaalsContact O-CG 3.3Å; S88-D92 PolarHBondContact O-N 3.46Å; F90-D92 VanDerWaalsContact C-N 3.33Å; F90-D92 PolarHBondContact O-N 3.4Å; D92-Q94 VanDerWaalsContact C-N 3.31Å; D92-Q94 PolarHBondContact O-N 3.48Å; D92-L96 PolarHBondContact O-N 3.37Å |
| 93 | L | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.4 | -22.2 | -174.2 | -60.8 | -174 | 0 | 0 | 0 | 113.8 | L80 Y82 T89 F90 N91 L96 R97 L113 W138 | L80-L93 HydrophobicContact CB-CD1 4.25Å; L80-L93 HydrophobicContact CB-CD2 4.19Å; Y82-L93 HydrophobicContact CD1-CD1 3.74Å; Y82-L93 HydrophobicContact CG-CD1 4.22Å; T89-L93 WeakPolarHBondContact O-CG 3.4Å; F90-L93 PolarHBondContact O-N 3.17Å; N91-L93 PolarHBondContact O-N 3.28Å; N91-L93 VanDerWaalsContact O-N 3.11Å; L93-L96 HydrophobicContact CD2-CD1 3.88Å; L93-L96 PolarHBondContact O-N 3.44Å; L93-R97 WeakPolarHBondContact O-CB 3.14Å; L93-R97 PolarHBondContact O-N 2.87Å; L93-L113 HydrophobicContact CD1-CD1 3.28Å; L93-W138 HydrophobicContact CB-CH2 3.79Å; L93-W138 HydrophobicContact CB-CZ2 4.43Å |
| 94 | Q | 96.9 | Very high | 97.2 | Very high | 62 Ų | 62 | 48.4 Ų | 48.4 | 29% | 0.29 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.6 | -50.6 | 176.9 | 180 | 64.9 | 20.1 | 0 | 0 | 110.7 | N91 D92 L96 R97 E98 | N91-Q94 PolarHBondContact O-N 2.83Å; D92-Q94 VanDerWaalsContact C-N 3.31Å; D92-Q94 PolarHBondContact O-N 3.48Å; Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 3.49Å; Q94-R97 WeakPolarHBondContact O-CB 3.34Å; Q94-R97 PolarHBondContact O-N 3.35Å; Q94-R97 VanDerWaalsContact O-N 3.17Å; Q94-E98 PolarHBondContact NE2-OE1 3.15Å; Q94-E98 WeakPolarHBondContact O-CG 3.34Å; Q94-E98 PolarHBondContact O-N 3.25Å |
| 95 | D | 94.6 | Very high | 97.1 | Very high | 115 Ų | 115 | 55.6 Ų | 55.6 | 62% | 0.615 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.6 | -40.2 | 179.4 | -66.9 | -6.9 | 0 | 0 | 0 | 111.2 | E98 Q99 | D95-E98 PolarHBondContact O-N 2.69Å; D95-Q99 WeakPolarHBondContact O-CB 3.47Å; D95-Q99 PolarHBondContact O-N 2.98Å |
| 96 | L | 95 | Very high | 96.9 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 174.1 | -87.7 | -179.9 | 0 | 0 | 0 | 112.3 | L9 T61 M72 L80 D92 L93 Q94 Q99 I100 | L9-L96 HydrophobicContact CB-CD1 4.16Å; T61-L96 HydrophobicContact CG2-CD1 3.23Å; T61-L96 HydrophobicContact CG2-CD2 3.9Å; T61-L96 HydrophobicContact CG2-CG 3.61Å; M72-L96 HydrophobicContact CE-CD2 4.01Å; L80-L96 HydrophobicContact CD2-CB 4.38Å; D92-L96 PolarHBondContact O-N 3.37Å; L93-L96 HydrophobicContact CD2-CD1 3.88Å; L93-L96 PolarHBondContact O-N 3.44Å; Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 3.49Å; L96-Q99 PolarHBondContact O-N 3.16Å; L96-I100 VanDerWaalsContact O-CG1 3.3Å; L96-I100 WeakPolarHBondContact O-CG1 3.28Å; L96-I100 PolarHBondContact O-N 2.97Å |
| 97 | R | 97.1 | Very high | 96.7 | Very high | 31 Ų | 31 | 61.3 Ų | 61.3 | 12% | 0.117 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 177.6 | 173 | 177.7 | 175.1 | -86.1 | 0.2 | 110.4 | L80 L93 Q94 Q99 I100 L101 M111 W138 | L80-R97 HydrophobicContact CD2-CB 3.95Å; L93-R97 WeakPolarHBondContact O-CB 3.14Å; L93-R97 PolarHBondContact O-N 2.87Å; Q94-R97 WeakPolarHBondContact O-CB 3.34Å; Q94-R97 PolarHBondContact O-N 3.35Å; Q94-R97 VanDerWaalsContact O-N 3.17Å; R97-Q99 VanDerWaalsContact C-N 3.28Å; R97-Q99 PolarHBondContact O-N 3.41Å; R97-I100 WeakPolarHBondContact O-CB 3.5Å; R97-I100 PolarHBondContact O-N 3.35Å; R97-I100 VanDerWaalsContact O-N 3.12Å; R97-L101 HydrophobicContact CG-CD1 4.21Å; R97-L101 HydrophobicContact CG-CG 4.31Å; R97-L101 WeakPolarHBondContact O-CG 3.18Å; R97-L101 PolarHBondContact O-N 2.87Å; R97-M111 HydrophobicContact CG-CE 4.17Å; R97-M111 HydrophobicContact CG-SD 4.06Å; R97-W138 HydrophobicContact CB-CH2 4.3Å; R97-W138 HydrophobicContact CB-CZ2 4.18Å; R97-W138 VanDerWaalsContact NE-CG 3.27Å |
| 98 | E | 96.3 | Very high | 96.4 | Very high | 99 Ų | 99 | 63.4 Ų | 63.4 | 46% | 0.463 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.4 | -40.4 | 179.9 | -71.4 | 179 | -172.3 | 0 | 0 | 111.9 | Q94 D95 L101 R102 | Q94-E98 PolarHBondContact NE2-OE1 3.15Å; Q94-E98 WeakPolarHBondContact O-CG 3.34Å; Q94-E98 PolarHBondContact O-N 3.25Å; D95-E98 PolarHBondContact O-N 2.69Å; E98-L101 PolarHBondContact O-N 2.93Å; E98-R102 WeakPolarHBondContact O-CB 3.15Å; E98-R102 PolarHBondContact O-N 2.96Å |
| 99 | Q | 95.4 | Very high | 96.4 | Very high | 33 Ų | 33 | 60.6 Ų | 60.6 | 15% | 0.154 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 174 | -169.3 | 178.9 | -1.4 | 0 | 0 | 111.9 | D69 M72 D95 L96 R97 R102 V103 | D69-Q99 PolarHBondContact OD1-NE2 3.33Å; M72-Q99 HydrophobicContact CE-CB 4.24Å; M72-Q99 HydrophobicContact CE-CG 4.06Å; M72-Q99 HydrophobicContact SD-CB 4.16Å; M72-Q99 HydrophobicContact SD-CG 3.63Å; D95-Q99 WeakPolarHBondContact O-CB 3.47Å; D95-Q99 PolarHBondContact O-N 2.98Å; L96-Q99 PolarHBondContact O-N 3.16Å; R97-Q99 VanDerWaalsContact C-N 3.28Å; R97-Q99 PolarHBondContact O-N 3.41Å; Q99-R102 PolarHBondContact O-N 3.1Å; Q99-V103 HydrophobicContact CG-CG2 4.42Å; Q99-V103 VanDerWaalsContact O-CG2 3.31Å; Q99-V103 WeakPolarHBondContact O-CG2 3.27Å; Q99-V103 PolarHBondContact O-N 2.8Å |
| 100 | I | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 177.4 | -68 | 162.2 | 0 | 0 | 0 | 110.5 | L9 M72 F78 L80 L96 R97 R102 V103 K104 V109 M111 | L9-I100 HydrophobicContact CD1-CD1 3.75Å; L9-I100 HydrophobicContact CD1-CG1 4.29Å; M72-I100 HydrophobicContact CE-CG1 3.84Å; M72-I100 HydrophobicContact CG-CG1 3.98Å; M72-I100 HydrophobicContact SD-CG1 3.8Å; F78-I100 HydrophobicContact CB-CD1 4.13Å; F78-I100 HydrophobicContact CD1-CD1 4.04Å; F78-I100 HydrophobicContact CD1-CG1 4.35Å; F78-I100 HydrophobicContact CD1-CG2 4.49Å; F78-I100 HydrophobicContact CD2-CG2 3.89Å; F78-I100 HydrophobicContact CE2-CG2 3.94Å; F78-I100 HydrophobicContact CG-CD1 4.06Å; F78-I100 HydrophobicContact CG-CG2 4.18Å; F78-I100 HydrophobicContact CZ-CG2 4.29Å; L80-I100 HydrophobicContact CD1-CD1 3.73Å; L80-I100 HydrophobicContact CD2-CD1 4.4Å; L80-I100 HydrophobicContact CG-CD1 4.4Å; L96-I100 VanDerWaalsContact O-CG1 3.3Å; L96-I100 WeakPolarHBondContact O-CG1 3.28Å; L96-I100 PolarHBondContact O-N 2.97Å; R97-I100 WeakPolarHBondContact O-CB 3.5Å; R97-I100 PolarHBondContact O-N 3.35Å; R97-I100 VanDerWaalsContact O-N 3.12Å; I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 2.91Å; I100-V103 PolarHBondContact O-N 2.93Å; I100-K104 HydrophobicContact CG2-CG 4.2Å; I100-K104 VanDerWaalsContact O-CB 3.29Å; I100-K104 WeakPolarHBondContact O-CB 2.83Å; I100-K104 VanDerWaalsContact O-CG 3.3Å; I100-K104 WeakPolarHBondContact O-CG 3.38Å; I100-K104 PolarHBondContact O-N 3.11Å; I100-V109 HydrophobicContact CG2-CG1 3.99Å; I100-M111 HydrophobicContact CB-CE 4.22Å; I100-M111 HydrophobicContact CD1-CE 3.88Å; I100-M111 HydrophobicContact CG2-CE 3.91Å |
| 101 | L | 97.8 | Very high | 96.4 | Very high | 20 Ų | 20 | 60 Ų | 60 | 11% | 0.105 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.5 | -41.5 | -179.2 | -61.8 | -175.9 | 0 | 0 | 0 | 111.3 | R97 E98 K104 D105 T106 V109 | R97-L101 HydrophobicContact CG-CD1 4.21Å; R97-L101 HydrophobicContact CG-CG 4.31Å; R97-L101 WeakPolarHBondContact O-CG 3.18Å; R97-L101 PolarHBondContact O-N 2.87Å; E98-L101 PolarHBondContact O-N 2.93Å; L101-K104 PolarHBondContact O-N 3.4Å; L101-D105 PolarHBondContact O-N 2.66Å; L101-T106 WeakPolarHBondContact CD2-O 3.21Å; L101-T106 PolarHBondContact O-N 3.34Å; L101-V109 HydrophobicContact CD2-CB 4.15Å; L101-V109 HydrophobicContact CD2-CG2 3.73Å |
| 102 | R | 97.2 | Very high | 96.5 | Very high | 176 Ų | 176 | 55.5 Ų | 55.5 | 66% | 0.664 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.5 | -45.8 | 175.4 | -175.6 | -177.5 | 68.8 | -164.1 | 1.4 | 112.5 | E98 Q99 I100 K104 D105 | E98-R102 WeakPolarHBondContact O-CB 3.15Å; E98-R102 PolarHBondContact O-N 2.96Å; Q99-R102 PolarHBondContact O-N 3.1Å; I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 2.91Å; R102-K104 VanDerWaalsContact C-N 3.3Å; R102-K104 PolarHBondContact O-N 3.39Å; R102-D105 PolarHBondContact O-N 3.4Å |
| 103 | V | 96.8 | Very high | 96.6 | Very high | 37 Ų | 37 | 52.6 Ų | 52.6 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.8 | -32.2 | 179.2 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | D69 M72 K73 Q99 I100 | D69-V103 HydrophobicContact CB-CG2 4.22Å; M72-V103 HydrophobicContact CB-CB 4.04Å; M72-V103 HydrophobicContact CB-CG1 3.73Å; M72-V103 HydrophobicContact CB-CG2 4.36Å; M72-V103 HydrophobicContact SD-CG2 4.35Å; K73-V103 HydrophobicContact CB-CG1 3.96Å; Q99-V103 HydrophobicContact CG-CG2 4.42Å; Q99-V103 VanDerWaalsContact O-CG2 3.31Å; Q99-V103 WeakPolarHBondContact O-CG2 3.27Å; Q99-V103 PolarHBondContact O-N 2.8Å; I100-V103 PolarHBondContact O-N 2.93Å |
| 104 | K | 96.3 | Very high | 96.7 | Very high | 56 Ų | 56 | 52.6 Ų | 52.6 | 24% | 0.243 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -80.2 | -21 | 177.2 | -73.2 | -52.9 | -162.5 | -169 | 0 | 114.4 | M72 K73 G75 I100 L101 R102 T106 V109 | M72-K104 WeakPolarHBondContact O-CE 3.41Å; M72-K104 PolarHBondContact O-NZ 2.95Å; K73-K104 PolarHBondContact O-NZ 3.3Å; G75-K104 WeakPolarHBondContact O-CE 3.42Å; G75-K104 PolarHBondContact O-NZ 2.92Å; I100-K104 HydrophobicContact CG2-CG 4.2Å; I100-K104 VanDerWaalsContact O-CB 3.29Å; I100-K104 WeakPolarHBondContact O-CB 2.83Å; I100-K104 VanDerWaalsContact O-CG 3.3Å; I100-K104 WeakPolarHBondContact O-CG 3.38Å; I100-K104 PolarHBondContact O-N 3.11Å; L101-K104 PolarHBondContact O-N 3.4Å; R102-K104 VanDerWaalsContact C-N 3.3Å; R102-K104 PolarHBondContact O-N 3.39Å; K104-T106 HydrophobicContact CB-CG2 3.89Å; K104-T106 PolarHBondContact O-N 3.38Å; K104-V109 HydrophobicContact CB-CG2 3.71Å; K104-V109 HydrophobicContact CG-CG1 4.21Å; K104-V109 HydrophobicContact CG-CG2 3.79Å |
| 105 | D | 96.7 | Very high | 96.8 | Very high | 151 Ų | 151 | 49.6 Ų | 49.6 | 81% | 0.807 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 40.4 | -175.3 | -162.1 | 33.6 | 0 | 0 | 0 | 112.2 | L101 R102 | L101-D105 PolarHBondContact O-N 2.66Å; R102-D105 PolarHBondContact O-N 3.4Å |
| 106 | T | 95.4 | Very high | 97 | Very high | 64 Ų | 64 | 44.3 Ų | 44.3 | 39% | 0.393 | 22% | 0.219 | S | C | . | . | trans | -161.4 | 142 | 176.7 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | L101 K104 D108 V109 | L101-T106 WeakPolarHBondContact CD2-O 3.21Å; L101-T106 PolarHBondContact O-N 3.34Å; K104-T106 HydrophobicContact CB-CG2 3.89Å; K104-T106 PolarHBondContact O-N 3.38Å; T106-D108 VanDerWaalsContact C-N 3.31Å; T106-D108 PolarHBondContact OG1-N 2.79Å; T106-D108 VanDerWaalsContact OG1-N 3.15Å; T106-D108 PolarHBondContact OG1-O 2.86Å; T106-V109 HydrophobicContact CG2-CG2 3.83Å; T106-V109 WeakPolarHBondContact O-CG2 3.48Å | ||
| 107 | D | 92.8 | Very high | 97.2 | Very high | 118 Ų | 118 | 46.8 Ų | 46.8 | 63% | 0.631 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -78.5 | -16.5 | 174.2 | -70.9 | -38.8 | 0 | 0 | 0 | 113.6 | ||
| 108 | D | 93.8 | Very high | 97.2 | Very high | 103 Ų | 103 | 46.2 Ų | 46.2 | 55% | 0.551 | 23% | 0.23 | S | C | * | . | trans | -102.6 | 91.5 | -179.5 | -174.7 | 2.9 | 0 | 0 | 0 | 108.3 | T106 K168 | T106-D108 VanDerWaalsContact C-N 3.31Å; T106-D108 PolarHBondContact OG1-N 2.79Å; T106-D108 VanDerWaalsContact OG1-N 3.15Å; T106-D108 PolarHBondContact OG1-O 2.86Å; D108-K168 VanDerWaalsContact C-NZ 3.27Å; D108-K168 WeakPolarHBondContact O-CE 3.44Å; D108-K168 PolarHBondContact O-NZ 2.74Å; D108-K168 IonicContact OD1-NZ 2.73Å; D108-K168 PolarHBondContact OD1-NZ 2.54Å; D108-K168 IonicContact OD2-NZ 2.67Å; D108-K168 PolarHBondContact OD2-NZ 2.89Å | ||
| 109 | V | 97.5 | Very high | 97.3 | Very high | 15 Ų | 15 | 43.9 Ų | 43.9 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | trans | -123.9 | 131.1 | 179.5 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | F78 I100 L101 K104 T106 M111 | F78-V109 HydrophobicContact CD2-CG1 3.53Å; F78-V109 HydrophobicContact CE2-CG1 3.63Å; I100-V109 HydrophobicContact CG2-CG1 3.99Å; L101-V109 HydrophobicContact CD2-CB 4.15Å; L101-V109 HydrophobicContact CD2-CG2 3.73Å; K104-V109 HydrophobicContact CB-CG2 3.71Å; K104-V109 HydrophobicContact CG-CG1 4.21Å; K104-V109 HydrophobicContact CG-CG2 3.79Å; T106-V109 HydrophobicContact CG2-CG2 3.83Å; T106-V109 WeakPolarHBondContact O-CG2 3.48Å; V109-M111 WeakPolarHBondContact O-CB 3.49Å; V109-M111 PolarHBondContact O-N 2.89Å | ||
| 110 | P | 98.5 | Very high | 97.5 | Very high | 12 Ų | 12 | 44.5 Ų | 44.5 | 8% | 0.078 | 23% | 0.225 | C | C | . | . | trans | -56 | 114.7 | 174.3 | -27.7 | 37.2 | 0 | 0 | 0 | 111.6 | Q76 G77 F78 Q164 I165 K168 | Q76-P110 WeakPolarHBondContact O-CB 3.49Å; Q76-P110 WeakPolarHBondContact O-CG 3.36Å; G77-P110 WeakPolarHBondContact CA-O 3.43Å; F78-P110 PolarHBondContact N-O 3.28Å; P110-Q164 VanDerWaalsContact CA-OE1 3.27Å; P110-Q164 HydrophobicContact CB-CB 3.83Å; P110-Q164 HydrophobicContact CG-CB 4.47Å; P110-I165 HydrophobicContact CB-CG1 3.83Å; P110-I165 HydrophobicContact CG-CG1 3.82Å; P110-K168 HydrophobicContact CG-CD 3.57Å | ||
| 111 | M | 98.7 | Very high | 97.5 | Very high | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.039 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 143 | -169.1 | -171.3 | 176.3 | -69.7 | 0 | 0 | 110.9 | F78 L80 R97 I100 V109 C141 Q164 | F78-M111 VanDerWaalsContact O-CA 3.31Å; F78-M111 WeakPolarHBondContact O-CA 3.42Å; L80-M111 HydrophobicContact CD1-CE 4.05Å; L80-M111 HydrophobicContact CD1-CG 3.81Å; L80-M111 HydrophobicContact CD1-SD 3.93Å; L80-M111 HydrophobicContact CD2-CE 4.46Å; L80-M111 HydrophobicContact CD2-SD 3.98Å; R97-M111 HydrophobicContact CG-CE 4.17Å; R97-M111 HydrophobicContact CG-SD 4.06Å; I100-M111 HydrophobicContact CB-CE 4.22Å; I100-M111 HydrophobicContact CD1-CE 3.88Å; I100-M111 HydrophobicContact CG2-CE 3.91Å; V109-M111 WeakPolarHBondContact O-CB 3.49Å; V109-M111 PolarHBondContact O-N 2.89Å; M111-C141 PolarHBondContact O-SG 2.97Å; M111-C141 VanDerWaalsContact O-SG 3.37Å; M111-Q164 PolarHBondContact O-NE2 2.99Å; M111-Q164 PolarHBondContact O-OE1 2.83Å |
| 112 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 131.4 | 170.6 | -173 | 171.5 | 0 | 0 | 0 | 110.2 | F78 A79 L80 V114 A142 L144 I157 D160 L161 | F78-I112 PolarHBondContact O-N 2.99Å; A79-I112 HydrophobicContact CB-CG2 4.01Å; L80-I112 PolarHBondContact N-O 3.2Å; I112-V114 HydrophobicContact CG1-CG2 4.2Å; I112-V114 HydrophobicContact CG2-CG2 4.06Å; I112-A142 HydrophobicContact CB-CB 4.17Å; I112-A142 HydrophobicContact CD1-CB 4.25Å; I112-A142 HydrophobicContact CG1-CB 3.85Å; I112-L144 HydrophobicContact CD1-CB 4.39Å; I112-L144 HydrophobicContact CD1-CD1 3.76Å; I112-L144 HydrophobicContact CD1-CG 3.99Å; I112-I157 HydrophobicContact CD1-CG1 4.45Å; I112-I157 HydrophobicContact CG2-CG2 3.96Å; I112-D160 HydrophobicContact CD1-CB 4.26Å; I112-L161 HydrophobicContact CB-CD2 4.34Å; I112-L161 HydrophobicContact CG2-CD1 4.07Å; I112-L161 HydrophobicContact CG2-CD2 3.88Å; I112-L161 HydrophobicContact CG2-CG 3.85Å |
| 113 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 127.6 | 169.9 | 177.7 | 62.1 | 0 | 0 | 0 | 109.5 | Y82 L93 G131 L134 A135 W138 A142 F143 L144 | Y82-L113 HydrophobicContact CD1-CD1 3.82Å; Y82-L113 HydrophobicContact CD1-CG 4.5Å; Y82-L113 HydrophobicContact CE1-CD1 3.91Å; Y82-L113 HydrophobicContact CE1-CG 4.1Å; L93-L113 HydrophobicContact CD1-CD1 3.28Å; L113-G131 WeakPolarHBondContact CD2-O 3.39Å; L113-L134 HydrophobicContact CD2-CB 4.11Å; L113-L134 HydrophobicContact CD2-CD2 3.97Å; L113-L134 HydrophobicContact CD2-CG 4.2Å; L113-A135 HydrophobicContact CD2-CB 4.18Å; L113-W138 HydrophobicContact CB-CZ3 4.17Å; L113-W138 HydrophobicContact CD1-CH2 4.18Å; L113-W138 HydrophobicContact CD1-CZ3 3.87Å; L113-W138 HydrophobicContact CD2-CZ3 4.32Å; L113-W138 HydrophobicContact CG-CZ3 4.34Å; L113-A142 PolarHBondContact N-O 3.34Å; L113-F143 HydrophobicContact CB-CD2 4.18Å; L113-F143 HydrophobicContact CD2-CD2 3.94Å; L113-F143 HydrophobicContact CD2-CE2 4.48Å; L113-F143 HydrophobicContact CG-CD2 3.88Å; L113-F143 HydrophobicContact CG-CE2 4.44Å; L113-F143 WeakPolarHBondContact O-CA 3.49Å; L113-F143 WeakPolarHBondContact O-CD2 3.35Å; L113-L144 PolarHBondContact O-N 3.29Å; L113-L144 VanDerWaalsContact O-N 3.09Å |
| 114 | V | 99 | Very high | 97.7 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 112.2 | -173.5 | -176.1 | 0 | 0 | 0 | 0 | 111 | L19 L80 V81 Y82 I112 N116 L144 S146 I157 | L19-V114 HydrophobicContact CD1-CG1 4.19Å; L80-V114 PolarHBondContact O-N 2.64Å; V81-V114 WeakPolarHBondContact CA-O 3.42Å; V81-V114 HydrophobicContact CG1-CB 4.46Å; V81-V114 HydrophobicContact CG1-CG1 4.39Å; V81-V114 HydrophobicContact CG2-CB 4.18Å; Y82-V114 VanDerWaalsContact CD1-O 3.23Å; Y82-V114 WeakPolarHBondContact CD1-O 3.3Å; Y82-V114 PolarHBondContact N-O 2.63Å; I112-V114 HydrophobicContact CG1-CG2 4.2Å; I112-V114 HydrophobicContact CG2-CG2 4.06Å; V114-N116 PolarHBondContact O-N 3.4Å; V114-L144 WeakPolarHBondContact CA-O 3.46Å; V114-S146 WeakPolarHBondContact CG1-OG 3.39Å; V114-I157 HydrophobicContact CB-CD1 4.49Å; V114-I157 HydrophobicContact CG1-CD1 3.6Å; V114-I157 HydrophobicContact CG1-CG1 4.26Å; V114-I157 HydrophobicContact CG2-CD1 4.03Å; V114-I157 HydrophobicContact CG2-CG1 3.9Å; V114-I157 HydrophobicContact CG2-CG2 4.06Å |
| 115 | G | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 94.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L144 E145 S146 | G115-L144 PolarHBondContact N-O 2.82Å; G115-E145 CarbonylContact O-C 3.57Å; G115-E145 WeakPolarHBondContact O-CA 3.32Å; G115-S146 PolarHBondContact O-N 2.87Å |
| 116 | N | 98.9 | Very high | 98 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 164.7 | -177.2 | -170.4 | 33.7 | 0 | 0 | 0 | 112.5 | V14 L19 V81 Y82 I84 V114 S146 A148 | V14-N116 PolarHBondContact O-ND2 2.77Å; L19-N116 HydrophobicContact CD1-CB 4.2Å; V81-N116 HydrophobicContact CG1-CB 3.73Å; Y82-N116 PolarHBondContact O-N 3.1Å; I84-N116 PolarHBondContact N-O 2.97Å; V114-N116 PolarHBondContact O-N 3.4Å; N116-S146 CarbonylContact C-O 3.57Å; N116-S146 VanDerWaalsContact CA-O 3.31Å; N116-S146 WeakPolarHBondContact CA-O 3.24Å; N116-S146 PolarHBondContact OD1-O 2.91Å; N116-S146 PolarHBondContact OD1-OG 3.26Å; N116-A148 PolarHBondContact OD1-N 3.09Å |
| 117 | K | 98.7 | Very high | 98.1 | Very high | 56 Ų | 56 | 46.5 Ų | 46.5 | 24% | 0.243 | 25% | 0.246 | C | C | . | . | trans | 69 | 34.9 | -177.4 | -45.7 | -170.7 | -165.4 | 170.6 | 0 | 113.8 | G13 S83 I84 D119 L120 S146 | G13-K117 VanDerWaalsContact O-CE 3.26Å; G13-K117 WeakPolarHBondContact O-CE 3.33Å; G13-K117 PolarHBondContact O-NZ 3.11Å; S83-K117 WeakPolarHBondContact OG-CD 3.31Å; S83-K117 WeakPolarHBondContact OG-CE 3.21Å; I84-K117 WeakPolarHBondContact CD1-O 3.11Å; I84-K117 WeakPolarHBondContact CG1-O 3.04Å; K117-D119 WeakPolarHBondContact CA-OD1 3.41Å; K117-D119 PolarHBondContact O-N 3.28Å; K117-L120 HydrophobicContact CB-CD1 4.02Å; K117-L120 HydrophobicContact CB-CG 4.29Å; K117-L120 HydrophobicContact CD-CD1 4Å; K117-L120 WeakPolarHBondContact O-CB 3.47Å; K117-L120 PolarHBondContact O-N 2.98Å; K117-S146 PolarHBondContact N-O 2.94Å | ||
| 118 | C | 98.7 | Very high | 98.4 | Very high | 20 Ų | 20 | 46 Ų | 46 | 14% | 0.135 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -4 | 176.6 | 76.1 | 0 | 0 | 0 | 0 | 114.4 | I84 L120 E145 S146 | I84-C118 HydrophobicContact CD1-CB 4.45Å; C118-L120 VanDerWaalsContact C-N 3.29Å; C118-E145 HydrophobicContact CB-CB 4.08Å; C118-S146 PolarHBondContact N-O 3.38Å; C118-S146 PolarHBondContact SG-O 3Å; C118-S146 VanDerWaalsContact SG-O 3.35Å |
| 119 | D | 98.6 | Very high | 98.6 | Very high | 49 Ų | 49 | 48 Ų | 48 | 26% | 0.262 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -17.5 | 166.4 | 56.9 | -69.6 | 0 | 0 | 0 | 113.5 | K117 E121 S147 K149 S150 | K117-D119 WeakPolarHBondContact CA-OD1 3.41Å; K117-D119 PolarHBondContact O-N 3.28Å; D119-E121 PolarHBondContact O-N 3.45Å; D119-S147 WeakPolarHBondContact CB-OG 3.47Å; D119-S147 VanDerWaalsContact OD1-CB 3.23Å; D119-S147 WeakPolarHBondContact OD1-CB 3.41Å; D119-S147 PolarHBondContact OD1-OG 3.05Å; D119-K149 WeakPolarHBondContact OD2-CD 3.44Å; D119-S150 WeakPolarHBondContact CB-OG 3.2Å |
| 120 | L | 98.3 | Very high | 98.6 | Very high | 46 Ų | 46 | 50.9 Ų | 50.9 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | trans | -97.1 | 52.2 | 179.5 | -56.2 | -179.5 | 0 | 0 | 0 | 111.3 | T85 K117 C118 D122 E123 R124 | T85-L120 HydrophobicContact CG2-CB 3.76Å; T85-L120 HydrophobicContact CG2-CD1 3.97Å; K117-L120 HydrophobicContact CB-CD1 4.02Å; K117-L120 HydrophobicContact CB-CG 4.29Å; K117-L120 HydrophobicContact CD-CD1 4Å; K117-L120 WeakPolarHBondContact O-CB 3.47Å; K117-L120 PolarHBondContact O-N 2.98Å; C118-L120 VanDerWaalsContact C-N 3.29Å; L120-D122 VanDerWaalsContact C-N 3.29Å; L120-D122 PolarHBondContact O-N 3.43Å; L120-E123 HydrophobicContact CB-CB 4.24Å; L120-E123 PolarHBondContact O-N 3.44Å; L120-R124 PolarHBondContact O-N 3.46Å | ||
| 121 | E | 98.3 | Very high | 98.7 | Very high | 106 Ų | 106 | 50.3 Ų | 50.3 | 50% | 0.495 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -60.7 | -37.3 | -174.1 | -167.3 | 62.7 | -153.7 | 0 | 0 | 112.5 | D119 E123 R124 | D119-E121 PolarHBondContact O-N 3.45Å; E121-E123 PolarHBondContact O-N 2.95Å; E121-R124 WeakPolarHBondContact O-CB 3.17Å; E121-R124 PolarHBondContact O-N 3.36Å; E121-R124 VanDerWaalsContact O-N 3.08Å; E121-R124 WeakPolarHBondContact OE1-CD 3.32Å; E121-R124 IonicContact OE1-CZ 2.86Å; E121-R124 IonicContact OE1-NE 3.65Å; E121-R124 PolarHBondContact OE1-NE 2.82Å; E121-R124 IonicContact OE1-NH2 3.49Å; E121-R124 IonicContact OE2-CZ 3.37Å; E121-R124 VanDerWaalsContact OE2-CZ 3.3Å; E121-R124 IonicContact OE2-NE 3.46Å; E121-R124 PolarHBondContact OE2-NE 3.34Å; E121-R124 IonicContact OE2-NH2 2.7Å; E121-R124 PolarHBondContact OE2-NH2 3.14Å |
| 122 | D | 98.4 | Very high | 98.6 | Very high | 172 Ų | 172 | 53.1 Ų | 53.1 | 92% | 0.92 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -66.4 | -18.5 | 177.5 | -63.1 | -33.3 | 0 | 0 | 0 | 113.2 | L120 | L120-D122 VanDerWaalsContact C-N 3.29Å; L120-D122 PolarHBondContact O-N 3.43Å |
| 123 | E | 98.6 | Very high | 98.6 | Very high | 113 Ų | 113 | 56.3 Ų | 56.3 | 53% | 0.528 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -102.1 | 4.7 | 177.2 | -62 | 178.6 | -136.9 | 0 | 0 | 112.4 | T85 L120 E121 V125 | T85-E123 WeakPolarHBondContact CA-O 3.41Å; T85-E123 HydrophobicContact CG2-CB 3.63Å; L120-E123 HydrophobicContact CB-CB 4.24Å; L120-E123 PolarHBondContact O-N 3.44Å; E121-E123 PolarHBondContact O-N 2.95Å; E123-V125 PolarHBondContact O-N 2.6Å |
| 124 | R | 98.7 | Very high | 98.6 | Very high | 52 Ų | 52 | 57.2 Ų | 57.2 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | trans | -63.4 | 126.7 | -176.3 | -179.2 | -177.9 | -70.1 | -87.8 | 7.7 | 111.1 | I84 L120 E121 V126 E145 | I84-R124 HydrophobicContact CD1-CB 4.07Å; I84-R124 HydrophobicContact CD1-CG 4.15Å; I84-R124 VanDerWaalsContact CD1-CZ 3.45Å; L120-R124 PolarHBondContact O-N 3.46Å; E121-R124 WeakPolarHBondContact O-CB 3.17Å; E121-R124 PolarHBondContact O-N 3.36Å; E121-R124 VanDerWaalsContact O-N 3.08Å; E121-R124 WeakPolarHBondContact OE1-CD 3.32Å; E121-R124 IonicContact OE1-CZ 2.86Å; E121-R124 IonicContact OE1-NE 3.65Å; E121-R124 PolarHBondContact OE1-NE 2.82Å; E121-R124 IonicContact OE1-NH2 3.49Å; E121-R124 IonicContact OE2-CZ 3.37Å; E121-R124 VanDerWaalsContact OE2-CZ 3.3Å; E121-R124 IonicContact OE2-NE 3.46Å; E121-R124 PolarHBondContact OE2-NE 3.34Å; E121-R124 IonicContact OE2-NH2 2.7Å; E121-R124 PolarHBondContact OE2-NH2 3.14Å; R124-V126 WeakPolarHBondContact CD-O 3.3Å; R124-V126 VanDerWaalsContact CG-O 3.27Å; R124-V126 WeakPolarHBondContact CG-O 3.32Å; R124-V126 PolarHBondContact NH1-O 2.79Å; R124-E145 IonicContact CZ-OE1 2.76Å; R124-E145 IonicContact CZ-OE2 2.99Å; R124-E145 IonicContact NH1-OE1 3.7Å; R124-E145 PolarHBondContact NH1-OE1 3.2Å; R124-E145 IonicContact NH1-OE2 2.98Å; R124-E145 IonicContact NH2-OE1 3.76Å; R124-E145 PolarHBondContact NH2-OE1 3.24Å; R124-E145 IonicContact NH2-OE2 2.82Å; R124-E145 PolarHBondContact NH2-OE2 3.31Å | ||
| 125 | V | 98.7 | Very high | 98.6 | Very high | 80 Ų | 80 | 57.4 Ų | 57.4 | 49% | 0.485 | 29% | 0.289 | S | S | . | . | trans | -118.7 | -18.3 | 170 | -56.1 | 0 | 0 | 0 | 0 | 112.7 | I84 T85 Q87 E123 | I84-V125 PolarHBondContact O-N 3.43Å; T85-V125 VanDerWaalsContact C-CG2 3.43Å; Q87-V125 HydrophobicContact CB-CG2 4.17Å; E123-V125 PolarHBondContact O-N 2.6Å | ||
| 126 | V | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -103.3 | 111.7 | 174 | -171.6 | 0 | 0 | 0 | 0 | 109 | Y82 I84 Q87 F90 R124 Q130 | Y82-V126 HydrophobicContact CD2-CB 4.49Å; Y82-V126 HydrophobicContact CD2-CG1 4.34Å; Y82-V126 HydrophobicContact CD2-CG2 4.36Å; Y82-V126 HydrophobicContact CE2-CB 3.9Å; Y82-V126 HydrophobicContact CE2-CG1 3.59Å; Y82-V126 HydrophobicContact CE2-CG2 4.26Å; I84-V126 PolarHBondContact O-N 2.84Å; Q87-V126 HydrophobicContact CB-CG2 4.38Å; F90-V126 HydrophobicContact CB-CG1 4.4Å; F90-V126 HydrophobicContact CB-CG2 4.14Å; F90-V126 HydrophobicContact CD2-CG1 3.91Å; F90-V126 HydrophobicContact CE2-CG1 4.27Å; F90-V126 HydrophobicContact CG-CG1 4.07Å; R124-V126 WeakPolarHBondContact CD-O 3.3Å; R124-V126 VanDerWaalsContact CG-O 3.27Å; R124-V126 WeakPolarHBondContact CG-O 3.32Å; R124-V126 PolarHBondContact NH1-O 2.79Å; V126-Q130 HydrophobicContact CG1-CB 4.15Å |
| 127 | G | 98.5 | Very high | 98.5 | Very high | 24 Ų | 24 | 71.2 Ų | 71.2 | 25% | 0.247 | 35% | 0.347 | C | S | . | . | trans | -65.3 | 146.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E129 Q130 G131 | G127-E129 PolarHBondContact O-N 3.26Å; G127-Q130 VanDerWaalsContact N-OE1 3.12Å; G127-Q130 WeakPolarHBondContact O-CB 3.4Å; G127-Q130 PolarHBondContact O-N 2.79Å; G127-G131 PolarHBondContact O-N 3.29Å | ||
| 128 | K | 98.5 | Very high | 98.4 | Very high | 108 Ų | 108 | 69 Ų | 69 | 47% | 0.47 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -56.7 | -36.6 | 176.5 | -173.9 | 172 | -177 | 172.8 | 0 | 112.6 | Q130 G131 Q132 F143 E145 | K128-Q130 VanDerWaalsContact C-N 3.3Å; K128-Q130 PolarHBondContact O-N 2.84Å; K128-G131 PolarHBondContact O-N 3.3Å; K128-Q132 WeakPolarHBondContact O-CG 3.47Å; K128-Q132 PolarHBondContact O-N 2.68Å; K128-F143 HydrophobicContact CG-CE1 4Å; K128-F143 HydrophobicContact CG-CZ 4.32Å; K128-E145 WeakPolarHBondContact CA-OE1 3.42Å; K128-E145 WeakPolarHBondContact CB-OE1 3.33Å; K128-E145 HydrophobicContact CG-CG 4.32Å |
| 129 | E | 98.5 | Very high | 98.2 | Very high | 143 Ų | 143 | 73.5 Ų | 73.5 | 67% | 0.668 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.4 | -33.2 | 176.2 | -65.1 | -169.5 | 167.7 | 0 | 0 | 112.7 | G127 Q132 N133 | G127-E129 PolarHBondContact O-N 3.26Å; E129-Q132 PolarHBondContact O-N 3.09Å; E129-N133 VanDerWaalsContact O-CB 3.24Å; E129-N133 WeakPolarHBondContact O-CB 3.48Å; E129-N133 PolarHBondContact O-N 2.83Å; E129-N133 PolarHBondContact O-ND2 3.46Å; E129-N133 VanDerWaalsContact O-ND2 3.15Å |
| 130 | Q | 98.5 | Very high | 97.9 | Very high | 77 Ų | 77 | 77.5 Ų | 77.5 | 36% | 0.36 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 174.9 | -68.8 | 168.7 | -125.4 | 0 | 0 | 110.6 | F90 V126 G127 K128 N133 L134 | F90-Q130 HydrophobicContact CZ-CB 4.15Å; V126-Q130 HydrophobicContact CG1-CB 4.15Å; G127-Q130 VanDerWaalsContact N-OE1 3.12Å; G127-Q130 WeakPolarHBondContact O-CB 3.4Å; G127-Q130 PolarHBondContact O-N 2.79Å; K128-Q130 VanDerWaalsContact C-N 3.3Å; K128-Q130 PolarHBondContact O-N 2.84Å; Q130-N133 PolarHBondContact O-N 2.97Å; Q130-L134 WeakPolarHBondContact O-CB 3.07Å; Q130-L134 PolarHBondContact O-N 2.92Å |
| 131 | G | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L113 G127 K128 N133 L134 A135 | L113-G131 WeakPolarHBondContact CD2-O 3.39Å; G127-G131 PolarHBondContact O-N 3.29Å; K128-G131 PolarHBondContact O-N 3.3Å; G131-N133 PolarHBondContact O-N 2.95Å; G131-L134 PolarHBondContact O-N 3.5Å; G131-A135 WeakPolarHBondContact O-CB 3.43Å; G131-A135 PolarHBondContact O-N 3.3Å |
| 132 | Q | 98.6 | Very high | 97.9 | Very high | 66 Ų | 66 | 72.7 Ų | 72.7 | 31% | 0.308 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 176.4 | -70.1 | 174.1 | -19.1 | 0 | 0 | 112.6 | K128 E129 A135 R136 F143 | K128-Q132 WeakPolarHBondContact O-CG 3.47Å; K128-Q132 PolarHBondContact O-N 2.68Å; E129-Q132 PolarHBondContact O-N 3.09Å; Q132-A135 PolarHBondContact O-N 2.9Å; Q132-R136 VanDerWaalsContact O-CG 3.32Å; Q132-R136 WeakPolarHBondContact O-CG 3.29Å; Q132-R136 PolarHBondContact O-N 3.42Å; Q132-F143 HydrophobicContact CB-CD1 4.43Å; Q132-F143 HydrophobicContact CG-CD1 3.51Å; Q132-F143 HydrophobicContact CG-CE1 3.53Å |
| 133 | N | 98.7 | Very high | 97.9 | Very high | 68 Ų | 68 | 66.1 Ų | 66.1 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.3 | -41.6 | -179.9 | -72.4 | -25.5 | 0 | 0 | 0 | 111.5 | E129 Q130 G131 R136 Q137 | E129-N133 VanDerWaalsContact O-CB 3.24Å; E129-N133 WeakPolarHBondContact O-CB 3.48Å; E129-N133 PolarHBondContact O-N 2.83Å; E129-N133 PolarHBondContact O-ND2 3.46Å; E129-N133 VanDerWaalsContact O-ND2 3.15Å; Q130-N133 PolarHBondContact O-N 2.97Å; G131-N133 PolarHBondContact O-N 2.95Å; N133-R136 PolarHBondContact O-N 3.11Å; N133-R136 PolarHBondContact OD1-NH1 3.32Å; N133-Q137 VanDerWaalsContact O-CG 3.3Å; N133-Q137 WeakPolarHBondContact O-CG 3.13Å; N133-Q137 PolarHBondContact O-N 3.05Å |
| 134 | L | 98.5 | Very high | 97.9 | Very high | 19 Ų | 19 | 63.1 Ų | 63.1 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 174 | -175.2 | 64.4 | 0 | 0 | 0 | 111.3 | F90 L113 Q130 G131 R136 Q137 W138 | F90-L134 HydrophobicContact CD2-CD2 4.29Å; F90-L134 HydrophobicContact CE1-CD2 4.07Å; F90-L134 HydrophobicContact CE2-CB 4.22Å; F90-L134 HydrophobicContact CE2-CD2 3.53Å; F90-L134 HydrophobicContact CZ-CB 3.78Å; F90-L134 HydrophobicContact CZ-CD2 3.43Å; F90-L134 VanDerWaalsContact CZ-CD2 3.43Å; F90-L134 HydrophobicContact CZ-CG 4.18Å; L113-L134 HydrophobicContact CD2-CB 4.11Å; L113-L134 HydrophobicContact CD2-CD2 3.97Å; L113-L134 HydrophobicContact CD2-CG 4.2Å; Q130-L134 WeakPolarHBondContact O-CB 3.07Å; Q130-L134 PolarHBondContact O-N 2.92Å; G131-L134 PolarHBondContact O-N 3.5Å; L134-R136 VanDerWaalsContact C-N 3.34Å; L134-R136 PolarHBondContact O-N 3.33Å; L134-Q137 WeakPolarHBondContact O-CB 3.23Å; L134-Q137 PolarHBondContact O-N 2.73Å; L134-Q137 VanDerWaalsContact O-N 3.15Å; L134-W138 HydrophobicContact CD1-CD2 4.36Å; L134-W138 HydrophobicContact CD1-CZ2 3.82Å; L134-W138 HydrophobicContact CD2-CH2 3.79Å; L134-W138 HydrophobicContact CD2-CZ2 3.56Å; L134-W138 HydrophobicContact CD2-CZ3 4.44Å; L134-W138 HydrophobicContact CG-CD2 4.03Å; L134-W138 HydrophobicContact CG-CE3 4.5Å; L134-W138 HydrophobicContact CG-CH2 4.19Å; L134-W138 HydrophobicContact CG-CZ2 3.69Å; L134-W138 VanDerWaalsContact O-CG 3.3Å; L134-W138 PolarHBondContact O-N 3Å |
| 135 | A | 98.5 | Very high | 97.9 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 3% | 0.025 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L113 G131 Q132 W138 N140 C141 F143 | L113-A135 HydrophobicContact CD2-CB 4.18Å; G131-A135 WeakPolarHBondContact O-CB 3.43Å; G131-A135 PolarHBondContact O-N 3.3Å; Q132-A135 PolarHBondContact O-N 2.9Å; A135-W138 CarbonylContact O-C 3.55Å; A135-W138 PolarHBondContact O-N 3.08Å; A135-N140 CarbonylContact O-C 3.54Å; A135-N140 WeakPolarHBondContact O-CA 3.4Å; A135-N140 PolarHBondContact O-N 2.92Å; A135-C141 HydrophobicContact CB-CB 4.4Å; A135-C141 WeakPolarHBondContact CB-O 3.34Å; A135-C141 PolarHBondContact O-N 3.06Å; A135-F143 HydrophobicContact CB-CB 3.64Å; A135-F143 HydrophobicContact CB-CG 4.43Å |
| 136 | R | 98.1 | Very high | 98 | Very high | 152 Ų | 152 | 57.7 Ų | 57.7 | 57% | 0.574 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -60.8 | -45.2 | 171.8 | -73.9 | 171.7 | -176.1 | 165 | -0.5 | 111.8 | Q132 N133 L134 W138 N139 N140 | Q132-R136 VanDerWaalsContact O-CG 3.32Å; Q132-R136 WeakPolarHBondContact O-CG 3.29Å; Q132-R136 PolarHBondContact O-N 3.42Å; N133-R136 PolarHBondContact O-N 3.11Å; N133-R136 PolarHBondContact OD1-NH1 3.32Å; L134-R136 VanDerWaalsContact C-N 3.34Å; L134-R136 PolarHBondContact O-N 3.33Å; R136-W138 PolarHBondContact O-N 3.39Å; R136-N139 PolarHBondContact O-N 2.96Å; R136-N140 PolarHBondContact O-N 3.37Å; R136-N140 VanDerWaalsContact O-N 3.16Å |
| 137 | Q | 97.2 | Very high | 98 | Very high | 142 Ų | 142 | 57.7 Ų | 57.7 | 66% | 0.664 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.8 | -32.4 | 176.5 | -70.8 | 170.1 | 7.1 | 0 | 0 | 112.1 | N133 L134 N139 | N133-Q137 VanDerWaalsContact O-CG 3.3Å; N133-Q137 WeakPolarHBondContact O-CG 3.13Å; N133-Q137 PolarHBondContact O-N 3.05Å; L134-Q137 WeakPolarHBondContact O-CB 3.23Å; L134-Q137 PolarHBondContact O-N 2.73Å; L134-Q137 VanDerWaalsContact O-N 3.15Å; Q137-N139 PolarHBondContact O-N 3.4Å |
| 138 | W | 97 | Very high | 98 | Very high | 10 Ų | 10 | 56.7 Ų | 56.7 | 4% | 0.038 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 48 | 175.7 | -65.3 | -6.5 | 0 | 0 | 0 | 113 | L80 L93 R97 L113 L134 A135 R136 N140 C141 | L80-W138 HydrophobicContact CD2-CH2 4.09Å; L80-W138 HydrophobicContact CD2-CZ3 4.07Å; L93-W138 HydrophobicContact CB-CH2 3.79Å; L93-W138 HydrophobicContact CB-CZ2 4.43Å; R97-W138 HydrophobicContact CB-CH2 4.3Å; R97-W138 HydrophobicContact CB-CZ2 4.18Å; R97-W138 VanDerWaalsContact NE-CG 3.27Å; L113-W138 HydrophobicContact CB-CZ3 4.17Å; L113-W138 HydrophobicContact CD1-CH2 4.18Å; L113-W138 HydrophobicContact CD1-CZ3 3.87Å; L113-W138 HydrophobicContact CD2-CZ3 4.32Å; L113-W138 HydrophobicContact CG-CZ3 4.34Å; L134-W138 HydrophobicContact CD1-CD2 4.36Å; L134-W138 HydrophobicContact CD1-CZ2 3.82Å; L134-W138 HydrophobicContact CD2-CH2 3.79Å; L134-W138 HydrophobicContact CD2-CZ2 3.56Å; L134-W138 HydrophobicContact CD2-CZ3 4.44Å; L134-W138 HydrophobicContact CG-CD2 4.03Å; L134-W138 HydrophobicContact CG-CE3 4.5Å; L134-W138 HydrophobicContact CG-CH2 4.19Å; L134-W138 HydrophobicContact CG-CZ2 3.69Å; L134-W138 VanDerWaalsContact O-CG 3.3Å; L134-W138 PolarHBondContact O-N 3Å; A135-W138 CarbonylContact O-C 3.55Å; A135-W138 PolarHBondContact O-N 3.08Å; R136-W138 PolarHBondContact O-N 3.39Å; W138-N140 VanDerWaalsContact C-N 3.35Å; W138-N140 PolarHBondContact O-N 2.82Å; W138-C141 HydrophobicContact CB-CB 3.79Å; W138-C141 WeakPolarHBondContact O-CB 3.32Å; W138-C141 PolarHBondContact O-N 2.93Å |
| 139 | N | 93.7 | Very high | 98 | Very high | 113 Ų | 113 | 56.8 Ų | 56.8 | 60% | 0.604 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 42.9 | 179.7 | -64.3 | -26.3 | 0 | 0 | 0 | 113.7 | R136 Q137 C141 | R136-N139 PolarHBondContact O-N 2.96Å; Q137-N139 PolarHBondContact O-N 3.4Å; N139-C141 VanDerWaalsContact C-N 3.34Å; N139-C141 PolarHBondContact O-N 3.17Å |
| 140 | N | 93.8 | Very high | 97.9 | Very high | 133 Ų | 133 | 53.1 Ų | 53.1 | 71% | 0.711 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 55.8 | 45.7 | -174.1 | -59.2 | -58.4 | 0 | 0 | 0 | 113.2 | A135 R136 W138 | A135-N140 CarbonylContact O-C 3.54Å; A135-N140 WeakPolarHBondContact O-CA 3.4Å; A135-N140 PolarHBondContact O-N 2.92Å; R136-N140 PolarHBondContact O-N 3.37Å; R136-N140 VanDerWaalsContact O-N 3.16Å; W138-N140 VanDerWaalsContact C-N 3.35Å; W138-N140 PolarHBondContact O-N 2.82Å |
| 141 | C | 97.7 | Very high | 97.9 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | trans | -54.2 | 148.9 | 170.5 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | M111 A135 W138 N139 | M111-C141 PolarHBondContact O-SG 2.97Å; M111-C141 VanDerWaalsContact O-SG 3.37Å; A135-C141 HydrophobicContact CB-CB 4.4Å; A135-C141 WeakPolarHBondContact CB-O 3.34Å; A135-C141 PolarHBondContact O-N 3.06Å; W138-C141 HydrophobicContact CB-CB 3.79Å; W138-C141 WeakPolarHBondContact O-CB 3.32Å; W138-C141 PolarHBondContact O-N 2.93Å; N139-C141 VanDerWaalsContact C-N 3.34Å; N139-C141 PolarHBondContact O-N 3.17Å | ||
| 142 | A | 98.6 | Very high | 97.9 | Very high | 27 Ų | 27 | 58.6 Ų | 58.6 | 22% | 0.223 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 143.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | I112 L113 D160 | I112-A142 HydrophobicContact CB-CB 4.17Å; I112-A142 HydrophobicContact CD1-CB 4.25Å; I112-A142 HydrophobicContact CG1-CB 3.85Å; L113-A142 PolarHBondContact N-O 3.34Å; A142-D160 VanDerWaalsContact CB-OD1 3.29Å; A142-D160 WeakPolarHBondContact CB-OD1 3.23Å |
| 143 | F | 98.8 | Very high | 97.9 | Very high | 35 Ų | 35 | 57.9 Ų | 57.9 | 15% | 0.154 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 133 | 177.5 | 169.5 | -105.5 | 0 | 0 | 0 | 111.1 | Y82 L113 K128 Q132 A135 E145 | Y82-F143 HydrophobicContact CE1-CE2 4.31Å; L113-F143 HydrophobicContact CB-CD2 4.18Å; L113-F143 HydrophobicContact CD2-CD2 3.94Å; L113-F143 HydrophobicContact CD2-CE2 4.48Å; L113-F143 HydrophobicContact CG-CD2 3.88Å; L113-F143 HydrophobicContact CG-CE2 4.44Å; L113-F143 WeakPolarHBondContact O-CA 3.49Å; L113-F143 WeakPolarHBondContact O-CD2 3.35Å; K128-F143 HydrophobicContact CG-CE1 4Å; K128-F143 HydrophobicContact CG-CZ 4.32Å; Q132-F143 HydrophobicContact CB-CD1 4.43Å; Q132-F143 HydrophobicContact CG-CD1 3.51Å; Q132-F143 HydrophobicContact CG-CE1 3.53Å; A135-F143 HydrophobicContact CB-CB 3.64Å; A135-F143 HydrophobicContact CB-CG 4.43Å; F143-E145 HydrophobicContact CE1-CG 4.2Å; F143-E145 HydrophobicContact CE2-CG 4.43Å; F143-E145 HydrophobicContact CZ-CG 3.63Å |
| 144 | L | 98.8 | Very high | 98 | Very high | 49 Ų | 49 | 54.9 Ų | 54.9 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 144.9 | 169.9 | -66.6 | 174.7 | 0 | 0 | 0 | 109.8 | I112 L113 V114 G115 N153 E156 I157 | I112-L144 HydrophobicContact CD1-CB 4.39Å; I112-L144 HydrophobicContact CD1-CD1 3.76Å; I112-L144 HydrophobicContact CD1-CG 3.99Å; L113-L144 PolarHBondContact O-N 3.29Å; L113-L144 VanDerWaalsContact O-N 3.09Å; V114-L144 WeakPolarHBondContact CA-O 3.46Å; G115-L144 PolarHBondContact N-O 2.82Å; L144-N153 HydrophobicContact CD1-CB 4.37Å; L144-E156 HydrophobicContact CD1-CB 3.77Å; L144-I157 HydrophobicContact CD1-CG1 4.4Å |
| 145 | E | 98.9 | Very high | 98 | Very high | 19 Ų | 19 | 57 Ų | 57 | 9% | 0.089 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 146.8 | 157 | -65.3 | -165.6 | 155.3 | 0 | 0 | 109.2 | G115 C118 R124 K128 F143 N153 | G115-E145 CarbonylContact O-C 3.57Å; G115-E145 WeakPolarHBondContact O-CA 3.32Å; C118-E145 HydrophobicContact CB-CB 4.08Å; R124-E145 IonicContact CZ-OE1 2.76Å; R124-E145 IonicContact CZ-OE2 2.99Å; R124-E145 IonicContact NH1-OE1 3.7Å; R124-E145 PolarHBondContact NH1-OE1 3.2Å; R124-E145 IonicContact NH1-OE2 2.98Å; R124-E145 IonicContact NH2-OE1 3.76Å; R124-E145 PolarHBondContact NH2-OE1 3.24Å; R124-E145 IonicContact NH2-OE2 2.82Å; R124-E145 PolarHBondContact NH2-OE2 3.31Å; K128-E145 WeakPolarHBondContact CA-OE1 3.42Å; K128-E145 WeakPolarHBondContact CB-OE1 3.33Å; K128-E145 HydrophobicContact CG-CG 4.32Å; F143-E145 HydrophobicContact CE1-CG 4.2Å; F143-E145 HydrophobicContact CE2-CG 4.43Å; F143-E145 HydrophobicContact CZ-CG 3.63Å; E145-N153 WeakPolarHBondContact O-CB 3.26Å; E145-N153 PolarHBondContact O-ND2 3.23Å |
| 146 | S | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 162 | -178.1 | 63.8 | 0 | 0 | 0 | 0 | 111.8 | V114 G115 N116 K117 C118 I152 | V114-S146 WeakPolarHBondContact CG1-OG 3.39Å; G115-S146 PolarHBondContact O-N 2.87Å; N116-S146 CarbonylContact C-O 3.57Å; N116-S146 VanDerWaalsContact CA-O 3.31Å; N116-S146 WeakPolarHBondContact CA-O 3.24Å; N116-S146 PolarHBondContact OD1-O 2.91Å; N116-S146 PolarHBondContact OD1-OG 3.26Å; K117-S146 PolarHBondContact N-O 2.94Å; C118-S146 PolarHBondContact N-O 3.38Å; C118-S146 PolarHBondContact SG-O 3Å; C118-S146 VanDerWaalsContact SG-O 3.35Å; S146-I152 VanDerWaalsContact CA-O 3.26Å; S146-I152 WeakPolarHBondContact CA-O 3.08Å; S146-I152 VanDerWaalsContact CB-O 3.29Å; S146-I152 WeakPolarHBondContact CB-O 3.4Å |
| 147 | S | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -137.5 | 112.5 | 167.5 | 172.7 | 0 | 0 | 0 | 0 | 108.5 | D119 K149 S150 K151 I152 | D119-S147 WeakPolarHBondContact CB-OG 3.47Å; D119-S147 VanDerWaalsContact OD1-CB 3.23Å; D119-S147 WeakPolarHBondContact OD1-CB 3.41Å; D119-S147 PolarHBondContact OD1-OG 3.05Å; S147-K149 PolarHBondContact O-N 3.46Å; S147-K149 PolarHBondContact OG-N 3.38Å; S147-S150 WeakPolarHBondContact OG-CB 3.28Å; S147-S150 PolarHBondContact OG-N 3.3Å; S147-K151 CarbonylContact O-C 3.56Å; S147-K151 WeakPolarHBondContact O-CA 3.43Å; S147-K151 PolarHBondContact O-N 3.42Å; S147-I152 PolarHBondContact N-O 3.43Å; S147-I152 PolarHBondContact O-N 2.99Å |
| 148 | A | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -38.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A18 L19 Q22 F28 N116 | A18-A148 HydrophobicContact CB-CB 3.65Å; L19-A148 HydrophobicContact CD2-CB 3.97Å; L19-A148 HydrophobicContact CG-CB 4.2Å; Q22-A148 WeakPolarHBondContact CG-O 3.28Å; Q22-A148 PolarHBondContact NE2-O 3.15Å; F28-A148 HydrophobicContact CD2-CB 4.06Å; F28-A148 HydrophobicContact CE2-CB 4.15Å; N116-A148 PolarHBondContact OD1-N 3.09Å |
| 149 | K | 98.4 | Very high | 98.2 | Very high | 109 Ų | 109 | 49.1 Ų | 49.1 | 47% | 0.474 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -50.5 | -178.6 | -173.2 | 177.5 | -176.8 | 179.3 | 0 | 112.1 | F28 D119 S147 | F28-K149 HydrophobicContact CD1-CB 4.27Å; F28-K149 HydrophobicContact CD1-CG 4.03Å; F28-K149 HydrophobicContact CD2-CB 4.35Å; F28-K149 HydrophobicContact CE1-CB 3.99Å; F28-K149 HydrophobicContact CE1-CD 4.18Å; F28-K149 HydrophobicContact CE1-CG 3.79Å; F28-K149 HydrophobicContact CE2-CB 4.1Å; F28-K149 HydrophobicContact CG-CB 4.44Å; F28-K149 HydrophobicContact CZ-CB 3.91Å; F28-K149 HydrophobicContact CZ-CG 4.2Å; D119-K149 WeakPolarHBondContact OD2-CD 3.44Å; S147-K149 PolarHBondContact O-N 3.46Å; S147-K149 PolarHBondContact OG-N 3.38Å |
| 150 | S | 98.3 | Very high | 98.4 | Very high | 66 Ų | 66 | 45.3 Ų | 45.3 | 46% | 0.462 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 6.7 | -175.9 | -59.1 | 0 | 0 | 0 | 0 | 113.9 | D119 S147 I152 | D119-S150 WeakPolarHBondContact CB-OG 3.2Å; S147-S150 WeakPolarHBondContact OG-CB 3.28Å; S147-S150 PolarHBondContact OG-N 3.3Å; S150-I152 PolarHBondContact O-N 3.04Å |
| 151 | K | 98.2 | Very high | 98.7 | Very high | 123 Ų | 123 | 39 Ų | 39 | 54% | 0.535 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 28.4 | -178.4 | -49.8 | -163.9 | -177.5 | -162.5 | 0 | 114.5 | Q22 G26 S147 | Q22-K151 HydrophobicContact CG-CG 4.28Å; G26-K151 PolarHBondContact O-NZ 3.43Å; S147-K151 CarbonylContact O-C 3.56Å; S147-K151 WeakPolarHBondContact O-CA 3.43Å; S147-K151 PolarHBondContact O-N 3.42Å |
| 152 | I | 98.9 | Very high | 98.7 | Very high | 70 Ų | 70 | 38 Ų | 38 | 36% | 0.359 | 19% | 0.192 | S | C | . | . | B | Isolated β-bridge | trans | -83.8 | 125 | -179.5 | -61.1 | 170.6 | 0 | 0 | 0 | 109 | S146 S147 S150 V154 | S146-I152 VanDerWaalsContact CA-O 3.26Å; S146-I152 WeakPolarHBondContact CA-O 3.08Å; S146-I152 VanDerWaalsContact CB-O 3.29Å; S146-I152 WeakPolarHBondContact CB-O 3.4Å; S147-I152 PolarHBondContact N-O 3.43Å; S147-I152 PolarHBondContact O-N 2.99Å; S150-I152 PolarHBondContact O-N 3.04Å; I152-V154 PolarHBondContact O-N 3.07Å |
| 153 | N | 98.8 | Very high | 98.7 | Very high | 51 Ų | 51 | 40.6 Ų | 40.6 | 27% | 0.273 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 57 | 17.6 | 174.9 | -64.8 | -31.7 | 0 | 0 | 0 | 115.7 | L144 E145 E156 I157 | L144-N153 HydrophobicContact CD1-CB 4.37Å; E145-N153 WeakPolarHBondContact O-CB 3.26Å; E145-N153 PolarHBondContact O-ND2 3.23Å; N153-E156 WeakPolarHBondContact CA-OE2 3.31Å; N153-E156 HydrophobicContact CB-CB 4.25Å; N153-I157 WeakPolarHBondContact O-CD1 3.45Å; N153-I157 VanDerWaalsContact O-CG1 3.29Å; N153-I157 WeakPolarHBondContact O-CG1 3.17Å; N153-I157 PolarHBondContact O-N 2.94Å |
| 154 | V | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.03 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.5 | -47.1 | -176.4 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | L19 Q22 F23 I152 E156 F158 | L19-V154 HydrophobicContact CD2-CG2 4.06Å; Q22-V154 HydrophobicContact CB-CG1 4.16Å; Q22-V154 HydrophobicContact CG-CG1 4.07Å; Q22-V154 HydrophobicContact CG-CG2 4.08Å; F23-V154 HydrophobicContact CB-CG1 3.77Å; I152-V154 PolarHBondContact O-N 3.07Å; V154-E156 PolarHBondContact N-OE2 3.49Å; V154-F158 WeakPolarHBondContact O-CD2 3.43Å; V154-F158 WeakPolarHBondContact O-CE2 3.27Å |
| 155 | N | 98.7 | Very high | 98.6 | Very high | 63 Ų | 63 | 38.3 Ų | 38.3 | 34% | 0.337 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -72.1 | -36.5 | 179.5 | -68.4 | -35.1 | 0 | 0 | 0 | 111.3 | F23 I157 F158 Y159 | F23-N155 HydrophobicContact CD2-CB 4.48Å; F23-N155 WeakPolarHBondContact CD2-OD1 3.29Å; F23-N155 HydrophobicContact CE2-CB 4.36Å; F23-N155 WeakPolarHBondContact CE2-OD1 3.26Å; N155-I157 VanDerWaalsContact C-N 3.28Å; N155-I157 PolarHBondContact O-N 3.37Å; N155-F158 PolarHBondContact O-N 3.03Å; N155-Y159 HydrophobicContact CB-CD2 4.19Å; N155-Y159 HydrophobicContact CB-CE2 3.82Å; N155-Y159 WeakPolarHBondContact O-CB 3.45Å; N155-Y159 VanDerWaalsContact O-CG 3.25Å; N155-Y159 PolarHBondContact O-N 2.77Å |
| 156 | E | 98.8 | Very high | 98.5 | Very high | 85 Ų | 85 | 38.7 Ų | 38.7 | 40% | 0.397 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.6 | -39.7 | -175.5 | -69.5 | 69.8 | -164.7 | 0 | 0 | 111.1 | L144 N153 V154 D160 | L144-E156 HydrophobicContact CD1-CB 3.77Å; N153-E156 WeakPolarHBondContact CA-OE2 3.31Å; N153-E156 HydrophobicContact CB-CB 4.25Å; V154-E156 PolarHBondContact N-OE2 3.49Å; E156-D160 WeakPolarHBondContact O-CB 3.36Å; E156-D160 PolarHBondContact O-N 3.3Å |
| 157 | I | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.5 | -54.7 | 175.1 | -68.1 | 158.6 | 0 | 0 | 0 | 111.3 | L19 A79 I112 V114 L144 N153 N155 L161 | L19-I157 HydrophobicContact CD1-CD1 4.31Å; L19-I157 HydrophobicContact CD2-CD1 4.17Å; A79-I157 HydrophobicContact CB-CG2 3.99Å; I112-I157 HydrophobicContact CD1-CG1 4.45Å; I112-I157 HydrophobicContact CG2-CG2 3.96Å; V114-I157 HydrophobicContact CB-CD1 4.49Å; V114-I157 HydrophobicContact CG1-CD1 3.6Å; V114-I157 HydrophobicContact CG1-CG1 4.26Å; V114-I157 HydrophobicContact CG2-CD1 4.03Å; V114-I157 HydrophobicContact CG2-CG1 3.9Å; V114-I157 HydrophobicContact CG2-CG2 4.06Å; L144-I157 HydrophobicContact CD1-CG1 4.4Å; N153-I157 WeakPolarHBondContact O-CD1 3.45Å; N153-I157 VanDerWaalsContact O-CG1 3.29Å; N153-I157 WeakPolarHBondContact O-CG1 3.17Å; N153-I157 PolarHBondContact O-N 2.94Å; N155-I157 VanDerWaalsContact C-N 3.28Å; N155-I157 PolarHBondContact O-N 3.37Å; I157-L161 PolarHBondContact O-N 3.28Å |
| 158 | F | 98.9 | Very high | 98 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 1% | 0.013 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -73.1 | -35.8 | -174.5 | -59.3 | -78.5 | 0 | 0 | 0 | 111.8 | L6 V8 F23 L53 I55 V154 N155 L161 V162 | L6-F158 HydrophobicContact CD1-CB 4.22Å; L6-F158 HydrophobicContact CD1-CD1 3.87Å; V8-F158 HydrophobicContact CG2-CE1 4.06Å; V8-F158 HydrophobicContact CG2-CZ 4.46Å; F23-F158 HydrophobicContact CB-CD2 3.84Å; F23-F158 HydrophobicContact CB-CE2 3.45Å; F23-F158 VanDerWaalsContact CB-CE2 3.45Å; F23-F158 HydrophobicContact CB-CZ 4.22Å; F23-F158 AromaticContact CD1-CD2 3.75Å; F23-F158 HydrophobicContact CD1-CD2 3.75Å; F23-F158 AromaticContact CD1-CE2 3.99Å; F23-F158 HydrophobicContact CD1-CE2 3.99Å; F23-F158 HydrophobicContact CD1-CG 4.06Å; F23-F158 HydrophobicContact CD1-CZ 4.46Å; F23-F158 HydrophobicContact CD2-CB 4.49Å; F23-F158 AromaticContact CD2-CD2 3.44Å; F23-F158 HydrophobicContact CD2-CD2 3.44Å; F23-F158 VanDerWaalsContact CD2-CD2 3.44Å; F23-F158 AromaticContact CD2-CE2 4Å; F23-F158 HydrophobicContact CD2-CE2 4Å; F23-F158 HydrophobicContact CD2-CG 4.22Å; F23-F158 HydrophobicContact CE1-CB 4.2Å; F23-F158 HydrophobicContact CE1-CD2 4.13Å; F23-F158 HydrophobicContact CE1-CG 4.06Å; F23-F158 HydrophobicContact CE2-CB 4.02Å; F23-F158 AromaticContact CE2-CD2 3.84Å; F23-F158 HydrophobicContact CE2-CD2 3.84Å; F23-F158 HydrophobicContact CE2-CG 4.22Å; F23-F158 AromaticContact CG-CD2 3.38Å; F23-F158 HydrophobicContact CG-CD2 3.38Å; F23-F158 AromaticContact CG-CE2 3.54Å; F23-F158 HydrophobicContact CG-CE2 3.54Å; F23-F158 HydrophobicContact CG-CG 4.14Å; F23-F158 HydrophobicContact CG-CZ 4.38Å; F23-F158 HydrophobicContact CZ-CB 3.83Å; F23-F158 HydrophobicContact CZ-CD2 4.15Å; F23-F158 HydrophobicContact CZ-CG 4.11Å; L53-F158 HydrophobicContact CD1-CB 4.04Å; I55-F158 HydrophobicContact CD1-CD1 3.71Å; I55-F158 HydrophobicContact CD1-CE1 3.68Å; I55-F158 HydrophobicContact CD1-CG 4.35Å; I55-F158 HydrophobicContact CD1-CZ 4.3Å; I55-F158 HydrophobicContact CG1-CD1 4.2Å; I55-F158 HydrophobicContact CG1-CE1 4.18Å; I55-F158 HydrophobicContact CG2-CE1 3.9Å; V154-F158 WeakPolarHBondContact O-CD2 3.43Å; V154-F158 WeakPolarHBondContact O-CE2 3.27Å; N155-F158 PolarHBondContact O-N 3.03Å; F158-L161 PolarHBondContact O-N 3.36Å; F158-V162 WeakPolarHBondContact O-CG2 3.48Å; F158-V162 PolarHBondContact O-N 2.96Å; F158-V162 VanDerWaalsContact O-N 3.13Å |
| 159 | Y | 98.8 | Very high | 97.6 | Very high | 52 Ų | 52 | 54.7 Ų | 54.7 | 20% | 0.204 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70 | -35.6 | 177.5 | -64.3 | -9.7 | 0 | 0 | 0 | 112.4 | F23 V44 V46 N155 V162 R163 | F23-Y159 AromaticContact CE2-CE1 3.9Å; F23-Y159 HydrophobicContact CE2-CE1 3.9Å; F23-Y159 HydrophobicContact CZ-CE1 4.01Å; V44-Y159 HydrophobicContact CB-CE1 3.93Å; V44-Y159 HydrophobicContact CG1-CE1 4.13Å; V44-Y159 HydrophobicContact CG2-CE1 3.97Å; V46-Y159 HydrophobicContact CG2-CD1 3.5Å; V46-Y159 HydrophobicContact CG2-CE1 3.97Å; V46-Y159 HydrophobicContact CG2-CG 3.92Å; N155-Y159 HydrophobicContact CB-CD2 4.19Å; N155-Y159 HydrophobicContact CB-CE2 3.82Å; N155-Y159 WeakPolarHBondContact O-CB 3.45Å; N155-Y159 VanDerWaalsContact O-CG 3.25Å; N155-Y159 PolarHBondContact O-N 2.77Å; Y159-V162 PolarHBondContact O-N 3.42Å; Y159-R163 WeakPolarHBondContact O-CG 3.48Å; Y159-R163 PolarHBondContact O-N 3.04Å |
| 160 | D | 98.8 | Very high | 96.9 | Very high | 33 Ų | 33 | 53.5 Ų | 53.5 | 18% | 0.176 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62 | -46.5 | 173.2 | -176.1 | -104.4 | 0 | 0 | 0 | 111.3 | I112 A142 E156 V162 R163 Q164 | I112-D160 HydrophobicContact CD1-CB 4.26Å; A142-D160 VanDerWaalsContact CB-OD1 3.29Å; A142-D160 WeakPolarHBondContact CB-OD1 3.23Å; E156-D160 WeakPolarHBondContact O-CB 3.36Å; E156-D160 PolarHBondContact O-N 3.3Å; D160-V162 VanDerWaalsContact C-N 3.33Å; D160-V162 PolarHBondContact O-N 3Å; D160-R163 WeakPolarHBondContact O-CA 3.33Å; D160-R163 WeakPolarHBondContact O-CB 3.33Å; D160-R163 PolarHBondContact O-N 2.96Å; D160-Q164 WeakPolarHBondContact O-CG 3.39Å; D160-Q164 PolarHBondContact O-N 2.81Å; D160-Q164 PolarHBondContact OD1-NE2 3.35Å |
| 161 | L | 98.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.3 | -42.4 | 175.6 | -72.1 | 175.9 | 0 | 0 | 0 | 112.7 | L6 A79 I112 I157 F158 R163 Q164 I165 | L6-L161 HydrophobicContact CD1-CB 4.39Å; L6-L161 HydrophobicContact CD1-CD1 4.41Å; L6-L161 HydrophobicContact CD2-CB 3.86Å; L6-L161 HydrophobicContact CD2-CD1 4.18Å; A79-L161 HydrophobicContact CB-CD1 4.19Å; I112-L161 HydrophobicContact CB-CD2 4.34Å; I112-L161 HydrophobicContact CG2-CD1 4.07Å; I112-L161 HydrophobicContact CG2-CD2 3.88Å; I112-L161 HydrophobicContact CG2-CG 3.85Å; I157-L161 PolarHBondContact O-N 3.28Å; F158-L161 PolarHBondContact O-N 3.36Å; L161-R163 VanDerWaalsContact C-N 3.32Å; L161-R163 PolarHBondContact O-N 2.86Å; L161-Q164 PolarHBondContact O-N 2.99Å; L161-I165 WeakPolarHBondContact O-CD1 3.38Å; L161-I165 VanDerWaalsContact O-CG1 3.28Å; L161-I165 WeakPolarHBondContact O-CG1 3.35Å; L161-I165 PolarHBondContact O-N 2.74Å |
| 162 | V | 98.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.3 | -45 | 174.1 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | Y4 V46 L53 F158 Y159 D160 I165 N166 | Y4-V162 HydrophobicContact CD1-CG1 4.39Å; Y4-V162 HydrophobicContact CD1-CG2 4.38Å; Y4-V162 HydrophobicContact CE1-CG1 3.9Å; Y4-V162 HydrophobicContact CE2-CG1 4.21Å; Y4-V162 HydrophobicContact CG-CG2 4.27Å; V46-V162 HydrophobicContact CB-CG1 3.93Å; V46-V162 HydrophobicContact CG1-CB 4.36Å; V46-V162 HydrophobicContact CG1-CG1 3.92Å; V46-V162 HydrophobicContact CG2-CB 4.29Å; V46-V162 HydrophobicContact CG2-CG1 4.04Å; V46-V162 HydrophobicContact CG2-CG2 4.45Å; L53-V162 HydrophobicContact CD1-CG2 4.24Å; L53-V162 HydrophobicContact CD2-CG2 3.37Å; L53-V162 HydrophobicContact CG-CG2 4.47Å; F158-V162 WeakPolarHBondContact O-CG2 3.48Å; F158-V162 PolarHBondContact O-N 2.96Å; F158-V162 VanDerWaalsContact O-N 3.13Å; Y159-V162 PolarHBondContact O-N 3.42Å; D160-V162 VanDerWaalsContact C-N 3.33Å; D160-V162 PolarHBondContact O-N 3Å; V162-I165 PolarHBondContact O-N 2.95Å; V162-N166 WeakPolarHBondContact O-CB 3.43Å; V162-N166 VanDerWaalsContact O-CG 3.3Å; V162-N166 PolarHBondContact O-N 3.46Å; V162-N166 PolarHBondContact O-ND2 3.26Å |
| 163 | R | 98.2 | Very high | 93.1 | Very high | 82 Ų | 82 | 52.8 Ų | 52.8 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 177.8 | -70.9 | 177.4 | -176.1 | 122.1 | -0.4 | 112 | V46 D47 Y159 D160 L161 N166 R167 | V46-R163 HydrophobicContact CG1-CG 4.01Å; D47-R163 IonicContact OD1-CZ 2.87Å; D47-R163 IonicContact OD1-NE 3.2Å; D47-R163 PolarHBondContact OD1-NE 3.05Å; D47-R163 IonicContact OD1-NH2 3.3Å; D47-R163 PolarHBondContact OD1-NH2 2.92Å; D47-R163 WeakPolarHBondContact OD2-CG 3.48Å; D47-R163 IonicContact OD2-NE 2.79Å; D47-R163 PolarHBondContact OD2-NE 2.93Å; Y159-R163 WeakPolarHBondContact O-CG 3.48Å; Y159-R163 PolarHBondContact O-N 3.04Å; D160-R163 WeakPolarHBondContact O-CA 3.33Å; D160-R163 WeakPolarHBondContact O-CB 3.33Å; D160-R163 PolarHBondContact O-N 2.96Å; L161-R163 VanDerWaalsContact C-N 3.32Å; L161-R163 PolarHBondContact O-N 2.86Å; R163-N166 PolarHBondContact O-N 3.02Å; R163-R167 VanDerWaalsContact O-CG 3.32Å; R163-R167 WeakPolarHBondContact O-CG 3.19Å; R163-R167 PolarHBondContact O-N 3.36Å |
| 164 | Q | 98.2 | Very high | 91.2 | Very high | 31 Ų | 31 | 56 Ų | 56 | 15% | 0.145 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 175.5 | -68.1 | -169.8 | 40.3 | 0 | 0 | 111.7 | P110 M111 D160 L161 N166 R167 K168 | P110-Q164 VanDerWaalsContact CA-OE1 3.27Å; P110-Q164 HydrophobicContact CB-CB 3.83Å; P110-Q164 HydrophobicContact CG-CB 4.47Å; M111-Q164 PolarHBondContact O-NE2 2.99Å; M111-Q164 PolarHBondContact O-OE1 2.83Å; D160-Q164 WeakPolarHBondContact O-CG 3.39Å; D160-Q164 PolarHBondContact O-N 2.81Å; D160-Q164 PolarHBondContact OD1-NE2 3.35Å; L161-Q164 PolarHBondContact O-N 2.99Å; Q164-N166 VanDerWaalsContact C-N 3.3Å; Q164-N166 PolarHBondContact O-N 2.87Å; Q164-R167 PolarHBondContact O-N 3.48Å; Q164-K168 PolarHBondContact O-N 2.88Å |
| 165 | I | 97.9 | Very high | 89.2 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 176.2 | -66.1 | 162.2 | 0 | 0 | 0 | 110.9 | Y4 L6 Q76 P110 L161 V162 R167 K168 T169 | Y4-I165 HydrophobicContact CD1-CB 4.04Å; Y4-I165 HydrophobicContact CD1-CD1 3.85Å; Y4-I165 HydrophobicContact CD1-CG2 3.76Å; Y4-I165 HydrophobicContact CE1-CB 4.15Å; Y4-I165 HydrophobicContact CE1-CG2 3.84Å; L6-I165 HydrophobicContact CD2-CD1 3.7Å; Q76-I165 HydrophobicContact CB-CD1 3.72Å; Q76-I165 HydrophobicContact CB-CG1 4.2Å; Q76-I165 WeakPolarHBondContact O-CG1 3.48Å; P110-I165 HydrophobicContact CB-CG1 3.83Å; P110-I165 HydrophobicContact CG-CG1 3.82Å; L161-I165 WeakPolarHBondContact O-CD1 3.38Å; L161-I165 VanDerWaalsContact O-CG1 3.28Å; L161-I165 WeakPolarHBondContact O-CG1 3.35Å; L161-I165 PolarHBondContact O-N 2.74Å; V162-I165 PolarHBondContact O-N 2.95Å; I165-R167 VanDerWaalsContact C-N 3.33Å; I165-R167 PolarHBondContact O-N 2.9Å; I165-K168 PolarHBondContact O-N 2.7Å; I165-T169 PolarHBondContact O-N 3.29Å |
| 166 | N | 96.5 | Very high | 87.3 | Confident | 27 Ų | 27 | 68 Ų | 68 | 14% | 0.144 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.2 | -30.6 | 178.2 | -78.2 | -30 | 0 | 0 | 0 | 114 | R2 Y4 V162 R163 Q164 K168 T169 P170 | R2-N166 PolarHBondContact NH1-OD1 3.42Å; Y4-N166 VanDerWaalsContact OH-CG 3.28Å; Y4-N166 PolarHBondContact OH-ND2 3.34Å; Y4-N166 PolarHBondContact OH-OD1 3.23Å; V162-N166 WeakPolarHBondContact O-CB 3.43Å; V162-N166 VanDerWaalsContact O-CG 3.3Å; V162-N166 PolarHBondContact O-N 3.46Å; V162-N166 PolarHBondContact O-ND2 3.26Å; R163-N166 PolarHBondContact O-N 3.02Å; Q164-N166 VanDerWaalsContact C-N 3.3Å; Q164-N166 PolarHBondContact O-N 2.87Å; N166-K168 VanDerWaalsContact C-N 3.32Å; N166-T169 CarbonylContact O-C 3.59Å; N166-P170 VanDerWaalsContact O-CA 3.28Å; N166-P170 WeakPolarHBondContact O-CA 3.46Å |
| 167 | R | 95.1 | Very high | 85.2 | Confident | 170 Ų | 170 | 73.8 Ų | 73.8 | 64% | 0.642 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.2 | -36.2 | 174.6 | -72.3 | 167.9 | -172.5 | 168.4 | 4.2 | 111.6 | R163 Q164 I165 | R163-R167 VanDerWaalsContact O-CG 3.32Å; R163-R167 WeakPolarHBondContact O-CG 3.19Å; R163-R167 PolarHBondContact O-N 3.36Å; Q164-R167 PolarHBondContact O-N 3.48Å; I165-R167 VanDerWaalsContact C-N 3.33Å; I165-R167 PolarHBondContact O-N 2.9Å |
| 168 | K | 91.9 | Very high | 83.1 | Confident | 83 Ų | 83 | 83.1 Ų | 83.1 | 36% | 0.361 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -84.4 | -40.4 | -178.8 | -62.7 | 179.3 | 75.8 | 87.9 | 0 | 113.3 | D108 P110 Q164 I165 N166 | D108-K168 VanDerWaalsContact C-NZ 3.27Å; D108-K168 WeakPolarHBondContact O-CE 3.44Å; D108-K168 PolarHBondContact O-NZ 2.74Å; D108-K168 IonicContact OD1-NZ 2.73Å; D108-K168 PolarHBondContact OD1-NZ 2.54Å; D108-K168 IonicContact OD2-NZ 2.67Å; D108-K168 PolarHBondContact OD2-NZ 2.89Å; P110-K168 HydrophobicContact CG-CD 3.57Å; Q164-K168 PolarHBondContact O-N 2.88Å; I165-K168 PolarHBondContact O-N 2.7Å; N166-K168 VanDerWaalsContact C-N 3.32Å |
| 169 | T | 89.4 | Confident | 81 | Confident | 86 Ų | 86 | 88.2 Ų | 88.2 | 53% | 0.528 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -125.5 | 83.9 | 178.6 | -48.4 | 0 | 0 | 0 | 0 | 107.6 | R2 I165 N166 | R2-T169 VanDerWaalsContact CZ-O 3.26Å; R2-T169 PolarHBondContact NH1-O 2.86Å; R2-T169 PolarHBondContact NH2-O 3.4Å; I165-T169 PolarHBondContact O-N 3.29Å; N166-T169 CarbonylContact O-C 3.59Å |
| 170 | P | 83.9 | Confident | 78.6 | Confident | 85 Ų | 85 | 90.3 Ų | 90.3 | 55% | 0.552 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 144.5 | -179.4 | -26 | 35.5 | 0 | 0 | 0 | 112.2 | N166 | N166-P170 VanDerWaalsContact O-CA 3.28Å; N166-P170 WeakPolarHBondContact O-CA 3.46Å |
| 171 | V | 75 | Confident | 75.9 | Confident | 33 Ų | 33 | 93.9 Ų | 93.9 | 20% | 0.2 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 129 | 173.8 | -174.6 | 0 | 0 | 0 | 0 | 108.3 | R2 G173 K174 | R2-V171 VanDerWaalsContact NH1-CG2 3.27Å; V171-G173 PolarHBondContact O-N 2.94Å; V171-K174 PolarHBondContact O-N 3.31Å |
| 172 | P | 72.1 | Confident | 73.8 | Confident | 124 Ų | 124 | 101.5 Ų | 101.5 | 81% | 0.805 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 134.5 | 174.8 | -26 | 33.7 | 0 | 0 | 0 | 111.5 | ||
| 173 | G | 69.3 | Low | 71.4 | Confident | 86 Ų | 86 | 109 Ų | 109 | 89% | 0.887 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.4 | -14.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | V171 A175 | V171-G173 PolarHBondContact O-N 2.94Å; G173-A175 PolarHBondContact O-N 3.05Å |
| 174 | K | 59.8 | Low | 69.1 | Low | 120 Ų | 120 | 116 Ų | 116 | 52% | 0.522 | 63% | 0.626 | S | S | . | * | trans | -95.3 | 87.4 | 167.2 | -79.4 | -172 | 177.3 | 177 | 0 | 109.8 | V171 R176 | V171-K174 PolarHBondContact O-N 3.31Å; K174-R176 PolarHBondContact O-N 3.08Å | ||
| 175 | A | 56.4 | Low | 67.6 | Low | 93 Ų | 93 | 120.3 Ų | 120.3 | 77% | 0.769 | 65% | 0.65 | S | S | * | * | trans | -58.6 | 127.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | G173 K177 | G173-A175 PolarHBondContact O-N 3.05Å; A175-K177 PolarHBondContact O-N 3.34Å | ||
| 176 | R | 57.5 | Low | 66 | Low | 227 Ų | 227 | 126.4 Ų | 126.4 | 86% | 0.857 | 68% | 0.683 | S | S | * | * | trans | -53.2 | 114.3 | 168.7 | -92.3 | -179.6 | 157.1 | -175.9 | -5.9 | 106.6 | K174 K178 | K174-R176 PolarHBondContact O-N 3.08Å; R176-K178 VanDerWaalsContact C-N 3.25Å; R176-K178 PolarHBondContact O-N 2.99Å | ||
| 177 | K | 55.7 | Low | 64.3 | Low | 205 Ų | 205 | 131.9 Ų | 131.9 | 89% | 0.891 | 71% | 0.713 | S | S | * | * | trans | -57.6 | 102 | 159.6 | -80.5 | -173.6 | 176.9 | -179 | 0 | 104.6 | A175 S179 | A175-K177 PolarHBondContact O-N 3.34Å; K177-S179 VanDerWaalsContact C-N 3.33Å; K177-S179 PolarHBondContact O-N 2.76Å | ||
| 178 | K | 54 | Low | 62.5 | Low | 199 Ų | 199 | 129.6 Ų | 129.6 | 87% | 0.865 | 72% | 0.717 | S | S | * | * | trans | -57.7 | 107.6 | 165.5 | -78.1 | -174.6 | 177.3 | -179.5 | 0 | 104.2 | R176 S180 | R176-K178 VanDerWaalsContact C-N 3.25Å; R176-K178 PolarHBondContact O-N 2.99Å; K178-S180 VanDerWaalsContact C-N 3.33Å; K178-S180 PolarHBondContact O-N 3.33Å | ||
| 179 | S | 54.6 | Low | 60.7 | Low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | -58.8 | 105.3 | 166.2 | 49.5 | 0 | 0 | 0 | 0 | 105.5 | K177 C181 | K177-S179 VanDerWaalsContact C-N 3.33Å; K177-S179 PolarHBondContact O-N 2.76Å; S179-C181 VanDerWaalsContact C-N 3.34Å; S179-C181 PolarHBondContact O-N 2.82Å | ||
| 180 | S | 48.2 | Very low | 58.8 | Low | 95 Ų | 95 | 135.7 Ų | 135.7 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | trans | -63.4 | 104.4 | 169.6 | 64.2 | 0 | 0 | 0 | 0 | 105.8 | K178 Q182 | K178-S180 VanDerWaalsContact C-N 3.33Å; K178-S180 PolarHBondContact O-N 3.33Å; S180-Q182 VanDerWaalsContact C-N 3.26Å; S180-Q182 PolarHBondContact O-N 3.39Å | ||
| 181 | C | 43.7 | Very low | 57 | Low | 109 Ų | 109 | 139.3 Ų | 139.3 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | -67.7 | 95.9 | 166.5 | -161.1 | 0 | 0 | 0 | 0 | 105.4 | S179 L183 | S179-C181 VanDerWaalsContact C-N 3.34Å; S179-C181 PolarHBondContact O-N 2.82Å; C181-L183 VanDerWaalsContact C-N 3.33Å; C181-L183 PolarHBondContact O-N 3.04Å | ||
| 182 | Q | 53.8 | Low | 55.6 | Low | 160 Ų | 160 | 147.5 Ų | 147.5 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | -76.2 | 94.3 | 166.9 | -74.5 | -175.4 | -20 | 0 | 0 | 105.9 | S180 L184 | S180-Q182 VanDerWaalsContact C-N 3.26Å; S180-Q182 PolarHBondContact O-N 3.39Å; Q182-L184 PolarHBondContact O-N 3.21Å | ||
| 183 | L | 48.7 | Very low | 54.2 | Low | 159 Ų | 159 | 149.4 Ų | 149.4 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -75.5 | 103.7 | 158.8 | -77 | 159.3 | 0 | 0 | 0 | 105.9 | C181 | C181-L183 VanDerWaalsContact C-N 3.33Å; C181-L183 PolarHBondContact O-N 3.04Å | ||
| 184 | L | 48.9 | Very low | 52.8 | Low | 230 Ų | 230 | 155.2 Ų | 155.2 | 100% | 1.204 | 81% | 0.805 | S | S | * | * | trans | -91.6 | 0 | 154.1 | -77.8 | 169.7 | 0 | 0 | 0 | 107.9 | Q182 | Q182-L184 PolarHBondContact O-N 3.21Š|
Retrieved 184 of 184 residues in 38 ms
(Link to these results)