| 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 | 80.8 | Confident | 96.2 | Very high | 143 Ų | 143 | 33.2 Ų | 33.2 | 70% | 0.704 | 18% | 0.181 | S | C | * | . | 0 | 128.2 | 0 | -171.2 | 178.9 | -71.8 | 0 | 0 | 106.7 | N43 P50 N52 | M1-N43 HydrophobicContact SD-CB 4.5Å; M1-P50 HydrophobicContact CE-CB 3.95Å; M1-P50 HydrophobicContact CG-CB 4.09Å; M1-P50 WeakPolarHBondContact CG-O 3.36Å; M1-N52 HydrophobicContact CG-CB 4.26Å; M1-N52 HydrophobicContact SD-CB 3.86Å | |||
| 2 | Q | 91.6 | Very high | 96.2 | Very high | 99 Ų | 99 | 33.2 Ų | 33.2 | 46% | 0.463 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 129.3 | -179.7 | -178.4 | 171.7 | -5.2 | 0 | 0 | 108.9 | I4 V51 N52 | Q2-I4 HydrophobicContact CG-CG1 4.36Å; Q2-V51 WeakPolarHBondContact O-CA 3.4Å; Q2-N52 PolarHBondContact O-N 2.54Å |
| 3 | A | 97.1 | Very high | 96.1 | Very high | 67 Ų | 67 | 34.3 Ų | 34.3 | 55% | 0.554 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 135.2 | 170 | 0 | 0 | 0 | 0 | 0 | 109 | N52 | A3-N52 CarbonylContact C-O 3.59Å; A3-N52 VanDerWaalsContact CA-O 3.31Å; A3-N52 WeakPolarHBondContact CA-O 3.28Å |
| 4 | I | 98.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 125.6 | 175 | -65.6 | -177.5 | 0 | 0 | 0 | 108.1 | Q2 V51 N52 L53 G54 D76 V77 I169 V172 L173 | Q2-I4 HydrophobicContact CG-CG1 4.36Å; I4-V51 HydrophobicContact CB-CG1 4.08Å; I4-V51 HydrophobicContact CD1-CG1 3.67Å; I4-V51 HydrophobicContact CD1-CG2 4.31Å; I4-V51 HydrophobicContact CG1-CG1 3.83Å; I4-N52 PolarHBondContact N-O 2.91Å; I4-L53 HydrophobicContact CB-CD1 4.15Å; I4-L53 HydrophobicContact CG2-CD1 3.93Å; I4-G54 PolarHBondContact O-N 2.77Å; I4-D76 WeakPolarHBondContact CA-OD2 3.31Å; I4-D76 HydrophobicContact CG2-CB 3.99Å; I4-V77 HydrophobicContact CG2-CG1 4.22Å; I4-I169 HydrophobicContact CD1-CB 4.45Å; I4-I169 HydrophobicContact CD1-CG1 4.36Å; I4-I169 HydrophobicContact CD1-CG2 4Å; I4-V172 HydrophobicContact CD1-CB 4.01Å; I4-V172 HydrophobicContact CD1-CG1 4.01Å; I4-V172 HydrophobicContact CG1-CG1 4.2Å; I4-V172 HydrophobicContact CG2-CG2 4.05Å; I4-L173 HydrophobicContact CD1-CD2 3.97Å; I4-L173 HydrophobicContact CD1-CG 4.08Å |
| 5 | K | 98.5 | Very high | 96.3 | Very high | 30 Ų | 30 | 30.9 Ų | 30.9 | 13% | 0.13 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 112.1 | 173.7 | 173.2 | 164.2 | 179.2 | -176.6 | 0 | 111.6 | V7 W56 S71 P73 D76 V77 | K5-V7 HydrophobicContact CG-CG2 4.32Å; K5-W56 HydrophobicContact CB-CE3 4.29Å; K5-W56 HydrophobicContact CB-CH2 3.82Å; K5-W56 HydrophobicContact CB-CZ3 3.66Å; K5-W56 HydrophobicContact CD-CD2 4.13Å; K5-W56 HydrophobicContact CD-CE3 4.23Å; K5-W56 HydrophobicContact CD-CH2 3.85Å; K5-W56 HydrophobicContact CD-CZ2 3.73Å; K5-W56 HydrophobicContact CD-CZ3 4.09Å; K5-W56 HydrophobicContact CG-CD2 3.94Å; K5-W56 HydrophobicContact CG-CE3 3.57Å; K5-W56 HydrophobicContact CG-CH2 3.66Å; K5-W56 HydrophobicContact CG-CZ2 4.01Å; K5-W56 HydrophobicContact CG-CZ3 3.41Å; K5-W56 VanDerWaalsContact CG-CZ3 3.41Å; K5-S71 WeakPolarHBondContact CE-O 3.48Å; K5-S71 PolarHBondContact NZ-O 2.8Å; K5-P73 PolarHBondContact NZ-O 2.87Å; K5-D76 PolarHBondContact N-OD2 3.17Å; K5-D76 WeakPolarHBondContact O-CB 3.32Å; K5-D76 PolarHBondContact O-N 2.75Å; K5-V77 PolarHBondContact O-N 3.25Å |
| 6 | C | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 119.6 | 175.6 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | L53 G54 L55 W56 V77 | C6-L53 HydrophobicContact CB-CD1 3.84Å; C6-G54 WeakPolarHBondContact CB-O 3.28Å; C6-G54 PolarHBondContact N-O 2.66Å; C6-L55 HydrophobicContact CB-CD2 3.99Å; C6-L55 WeakPolarHBondContact O-CA 3.03Å; C6-W56 PolarHBondContact O-N 3.14Å; C6-V77 WeakPolarHBondContact CA-O 3.44Å; C6-V77 HydrophobicContact CB-CG1 3.82Å |
| 7 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.5 | 176.2 | -178.4 | 0 | 0 | 0 | 0 | 110 | K5 V9 W56 T58 Y72 T75 V77 F78 L79 | K5-V7 HydrophobicContact CG-CG2 4.32Å; V7-V9 HydrophobicContact CG1-CG1 4.02Å; V7-W56 HydrophobicContact CB-CB 4.33Å; V7-W56 HydrophobicContact CG1-CB 4.31Å; V7-W56 HydrophobicContact CG2-CB 3.89Å; V7-W56 HydrophobicContact CG2-CG 4.2Å; V7-T58 HydrophobicContact CG1-CG2 3.84Å; V7-Y72 HydrophobicContact CG1-CD1 3.99Å; V7-Y72 HydrophobicContact CG1-CE1 3.91Å; V7-T75 HydrophobicContact CB-CG2 4.03Å; V7-T75 HydrophobicContact CG2-CG2 3.74Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.45Å; V7-V77 PolarHBondContact N-O 3.28Å; V7-F78 HydrophobicContact CB-CD1 3.83Å; V7-F78 HydrophobicContact CB-CE1 3.73Å; V7-F78 HydrophobicContact CG1-CD1 4.16Å; V7-F78 HydrophobicContact CG1-CE1 3.89Å; V7-F78 HydrophobicContact CG2-CE1 4.42Å; V7-F78 WeakPolarHBondContact O-CA 3.4Å; V7-L79 PolarHBondContact O-N 3.29Å |
| 8 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 120.4 | -179.9 | -167 | 0 | 0 | 0 | 0 | 109.6 | K16 L20 W56 T58 L79 | V8-K16 HydrophobicContact CG1-CB 3.82Å; V8-K16 HydrophobicContact CG1-CD 3.97Å; V8-K16 HydrophobicContact CG1-CG 3.86Å; V8-L20 HydrophobicContact CB-CD1 4.46Å; V8-L20 HydrophobicContact CG2-CD1 4.03Å; V8-L20 HydrophobicContact CG2-CD2 3.89Å; V8-L20 HydrophobicContact CG2-CG 4.26Å; V8-W56 PolarHBondContact N-O 3.24Å; V8-T58 PolarHBondContact O-OG1 2.84Å; V8-L79 WeakPolarHBondContact CA-O 3.39Å; V8-L79 HydrophobicContact CB-CB 4.43Å; V8-L79 HydrophobicContact CG1-CB 4.08Å; V8-L79 HydrophobicContact CG2-CB 4.19Å; V8-L79 HydrophobicContact CG2-CD1 4.03Å; V8-L79 HydrophobicContact CG2-CG 4.4Å |
| 9 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 165.7 | -179.5 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | V7 K16 Y72 F78 L79 V80 C81 W97 I101 | V7-V9 HydrophobicContact CG1-CG1 4.02Å; V9-K16 VanDerWaalsContact C-CD 3.46Å; V9-Y72 HydrophobicContact CG1-CE1 3.79Å; V9-Y72 WeakPolarHBondContact CG1-OH 3.47Å; V9-F78 HydrophobicContact CG1-CD1 4.25Å; V9-F78 HydrophobicContact CG1-CE1 4.41Å; V9-L79 PolarHBondContact N-O 2.9Å; V9-V80 HydrophobicContact CG2-CB 4.34Å; V9-V80 HydrophobicContact CG2-CG1 4.44Å; V9-V80 HydrophobicContact CG2-CG2 3.79Å; V9-C81 PolarHBondContact O-N 3.05Å; V9-W97 HydrophobicContact CB-CE3 3.8Å; V9-W97 HydrophobicContact CB-CZ3 4.09Å; V9-W97 HydrophobicContact CG2-CE3 4.17Å; V9-I101 HydrophobicContact CG1-CG2 4.42Å; V9-I101 HydrophobicContact CG2-CG2 4.07Å |
| 10 | G | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | 138.5 | 164.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K16 G60 C81 W97 | G10-K16 PolarHBondContact O-NZ 2.97Å; G10-G60 VanDerWaalsContact O-CA 3.22Å; G10-G60 WeakPolarHBondContact O-CA 3.49Å; G10-C81 VanDerWaalsContact CA-O 3.31Å; G10-C81 WeakPolarHBondContact CA-O 3.12Å; G10-W97 WeakPolarHBondContact O-CH2 3.15Å; G10-W97 WeakPolarHBondContact O-CZ2 3.11Å | ||
| 11 | D | 98.3 | Very high | 96.7 | Very high | 23 Ų | 23 | 26.6 Ų | 26.6 | 12% | 0.123 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -54.5 | 164.1 | -176.2 | -79.1 | 13.7 | 0 | 0 | 0 | 113.7 | V14 K16 S89 N92 W97 | D11-V14 HydrophobicContact CB-CG1 3.68Å; D11-V14 WeakPolarHBondContact O-CG2 3.44Å; D11-K16 PolarHBondContact O-NZ 3.11Å; D11-S89 VanDerWaalsContact OD2-CA 3.27Å; D11-S89 WeakPolarHBondContact OD2-CA 3.11Å; D11-N92 WeakPolarHBondContact OD1-CB 3.31Å; D11-N92 PolarHBondContact OD1-ND2 2.73Å; D11-N92 PolarHBondContact OD2-ND2 3.19Å; D11-W97 PolarHBondContact OD1-NE1 2.95Å |
| 12 | G | 95.8 | Very high | 97.4 | Very high | 33 Ų | 33 | 19.8 Ų | 19.8 | 34% | 0.34 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 146.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V14 G60 | G12-V14 PolarHBondContact O-N 3.03Å; G12-G60 PolarHBondContact N-O 3.42Å |
| 13 | A | 95 | Very high | 97.7 | Very high | 48 Ų | 48 | 16.8 Ų | 16.8 | 40% | 0.397 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 12.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | G15 Y32 K116 | A13-G15 PolarHBondContact O-N 3.38Å; A13-Y32 HydrophobicContact CB-CE1 4.11Å; A13-Y32 PolarHBondContact N-OH 2.91Å; A13-K116 WeakPolarHBondContact O-CE 3.18Å; A13-K116 PolarHBondContact O-NZ 2.92Å |
| 14 | V | 97.1 | Very high | 97.6 | Very high | 3 Ų | 3 | 15.6 Ų | 15.6 | 2% | 0.018 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -71 | -19.7 | 174.8 | -58.7 | 0 | 0 | 0 | 0 | 112.8 | D11 G12 K16 C81 T115 K116 | D11-V14 HydrophobicContact CB-CG1 3.68Å; D11-V14 WeakPolarHBondContact O-CG2 3.44Å; G12-V14 PolarHBondContact O-N 3.03Å; V14-K16 HydrophobicContact CG2-CD 4.4Å; V14-K16 HydrophobicContact CG2-CG 3.7Å; V14-C81 HydrophobicContact CG2-CB 3.92Å; V14-T115 WeakPolarHBondContact O-CB 3.41Å; V14-T115 PolarHBondContact O-OG1 2.75Å; V14-K116 VanDerWaalsContact O-CE 3.28Å; V14-K116 WeakPolarHBondContact O-CE 3.21Å |
| 15 | G | 97.6 | Very high | 97.4 | Very high | 14 Ų | 14 | 19.1 Ų | 19.1 | 14% | 0.144 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 108.3 | 21.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | A13 C18 L19 | A13-G15 PolarHBondContact O-N 3.38Å; G15-C18 PolarHBondContact O-N 3.13Å; G15-L19 WeakPolarHBondContact O-CB 3.38Å; G15-L19 PolarHBondContact O-N 3.13Å |
| 16 | K | 98.4 | Very high | 97.1 | Very high | 10 Ų | 10 | 23.7 Ų | 23.7 | 4% | 0.043 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -53.9 | -53.2 | 174.9 | -56.4 | -171.4 | -58.3 | -77.5 | 0 | 112 | V8 V9 G10 D11 V14 C18 L19 L20 T58 C81 | V8-K16 HydrophobicContact CG1-CB 3.82Å; V8-K16 HydrophobicContact CG1-CD 3.97Å; V8-K16 HydrophobicContact CG1-CG 3.86Å; V9-K16 VanDerWaalsContact C-CD 3.46Å; G10-K16 PolarHBondContact O-NZ 2.97Å; D11-K16 PolarHBondContact O-NZ 3.11Å; V14-K16 HydrophobicContact CG2-CD 4.4Å; V14-K16 HydrophobicContact CG2-CG 3.7Å; K16-C18 PolarHBondContact O-N 3.02Å; K16-L19 VanDerWaalsContact O-CB 3.26Å; K16-L19 WeakPolarHBondContact O-CB 3.48Å; K16-L19 PolarHBondContact O-N 3.35Å; K16-L20 WeakPolarHBondContact O-CG 3.14Å; K16-L20 PolarHBondContact O-N 3.48Å; K16-T58 WeakPolarHBondContact CE-O 3.49Å; K16-T58 PolarHBondContact NZ-O 3.31Å; K16-C81 HydrophobicContact CG-CB 3.99Å |
| 17 | T | 97.9 | Very high | 96.8 | Very high | 26 Ų | 26 | 26.1 Ų | 26.1 | 16% | 0.16 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.6 | -43.9 | 179.6 | -44.4 | 0 | 0 | 0 | 0 | 112 | L19 L20 I21 T35 D57 | T17-L19 VanDerWaalsContact C-N 3.31Å; T17-L19 PolarHBondContact O-N 2.87Å; T17-L20 PolarHBondContact O-N 2.82Å; T17-I21 HydrophobicContact CG2-CD1 3.78Å; T17-I21 HydrophobicContact CG2-CG1 4.36Å; T17-I21 WeakPolarHBondContact O-CB 3.45Å; T17-I21 WeakPolarHBondContact O-CG1 3.31Å; T17-I21 PolarHBondContact O-N 3.29Å; T17-T35 PolarHBondContact OG1-OG1 3.09Å; T17-D57 WeakPolarHBondContact CA-OD2 3.42Å; T17-D57 WeakPolarHBondContact CB-OD2 3.46Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.36Å; T17-D57 PolarHBondContact OG1-OD2 2.96Å |
| 18 | C | 97.6 | Very high | 96.5 | Very high | 22 Ų | 22 | 30.7 Ų | 30.7 | 15% | 0.149 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.5 | -40.7 | 175.4 | -54.6 | 0 | 0 | 0 | 0 | 112 | G15 K16 S22 F28 P29 A155 | G15-C18 PolarHBondContact O-N 3.13Å; K16-C18 PolarHBondContact O-N 3.02Å; C18-S22 WeakPolarHBondContact O-CB 3.13Å; C18-S22 PolarHBondContact O-N 2.88Å; C18-F28 HydrophobicContact CB-CD2 4.34Å; C18-F28 HydrophobicContact CB-CE2 3.76Å; C18-F28 HydrophobicContact CB-CZ 4.41Å; C18-P29 HydrophobicContact CB-CG 4.23Å; C18-A155 HydrophobicContact CB-CB 3.84Å; C18-A155 WeakPolarHBondContact O-CB 3.41Å |
| 19 | L | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.7 | -49.7 | 175.5 | -173.9 | 83.3 | 0 | 0 | 0 | 110.5 | G15 K16 T17 Y23 L79 C153 L161 V164 F165 | G15-L19 WeakPolarHBondContact O-CB 3.38Å; G15-L19 PolarHBondContact O-N 3.13Å; K16-L19 VanDerWaalsContact O-CB 3.26Å; K16-L19 WeakPolarHBondContact O-CB 3.48Å; K16-L19 PolarHBondContact O-N 3.35Å; T17-L19 VanDerWaalsContact C-N 3.31Å; T17-L19 PolarHBondContact O-N 2.87Å; L19-Y23 WeakPolarHBondContact O-CB 3.37Å; L19-Y23 PolarHBondContact O-N 3.41Å; L19-Y23 VanDerWaalsContact O-N 3.07Å; L19-L79 HydrophobicContact CD2-CD1 4.12Å; L19-C153 WeakPolarHBondContact CD1-SG 3.37Å; L19-L161 HydrophobicContact CD1-CD1 3.3Å; L19-L161 HydrophobicContact CG-CD1 3.85Å; L19-V164 HydrophobicContact CD2-CG1 4.46Å; L19-F165 HydrophobicContact CD2-CE2 4.48Å; L19-F165 HydrophobicContact CD2-CZ 3.96Å; L19-F165 HydrophobicContact CG-CE2 4.15Å; L19-F165 HydrophobicContact CG-CZ 3.93Å |
| 20 | L | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.7 | -46.7 | -177.9 | -67.1 | 175.7 | 0 | 0 | 0 | 112.7 | V8 K16 T17 Y23 T24 Y40 L55 D57 F165 | V8-L20 HydrophobicContact CB-CD1 4.46Å; V8-L20 HydrophobicContact CG2-CD1 4.03Å; V8-L20 HydrophobicContact CG2-CD2 3.89Å; V8-L20 HydrophobicContact CG2-CG 4.26Å; K16-L20 WeakPolarHBondContact O-CG 3.14Å; K16-L20 PolarHBondContact O-N 3.48Å; T17-L20 PolarHBondContact O-N 2.82Å; L20-Y23 PolarHBondContact O-N 3.12Å; L20-T24 WeakPolarHBondContact O-CB 3.2Å; L20-T24 WeakPolarHBondContact O-CG2 3.3Å; L20-T24 PolarHBondContact O-N 3.01Å; L20-T24 PolarHBondContact O-OG1 2.87Å; L20-Y40 HydrophobicContact CB-CD2 4.22Å; L20-Y40 HydrophobicContact CB-CE2 4.33Å; L20-Y40 HydrophobicContact CD1-CD2 4.27Å; L20-Y40 HydrophobicContact CD1-CE2 4.39Å; L20-L55 HydrophobicContact CD2-CB 3.76Å; L20-L55 HydrophobicContact CD2-CD1 3.78Å; L20-L55 HydrophobicContact CD2-CD2 3.91Å; L20-L55 HydrophobicContact CD2-CG 4.01Å; L20-D57 HydrophobicContact CD1-CB 3.43Å; L20-D57 VanDerWaalsContact CD1-CB 3.43Å; L20-F165 HydrophobicContact CD2-CE1 3.89Å; L20-F165 HydrophobicContact CD2-CZ 3.92Å |
| 21 | I | 95.6 | Very high | 94.6 | Very high | 37 Ų | 37 | 44.4 Ų | 44.4 | 19% | 0.19 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.2 | -47.7 | 177.7 | -68.1 | 174.8 | 0 | 0 | 0 | 110.3 | T17 Y23 T24 T25 P29 Y40 | T17-I21 HydrophobicContact CG2-CD1 3.78Å; T17-I21 HydrophobicContact CG2-CG1 4.36Å; T17-I21 WeakPolarHBondContact O-CB 3.45Å; T17-I21 WeakPolarHBondContact O-CG1 3.31Å; T17-I21 PolarHBondContact O-N 3.29Å; I21-Y23 VanDerWaalsContact C-N 3.26Å; I21-Y23 PolarHBondContact O-N 3.29Å; I21-T24 PolarHBondContact O-N 2.96Å; I21-T24 PolarHBondContact O-OG1 3.2Å; I21-T25 HydrophobicContact CG2-CG2 4.29Å; I21-T25 WeakPolarHBondContact CG2-OG1 3.28Å; I21-T25 WeakPolarHBondContact O-CB 3.35Å; I21-T25 PolarHBondContact O-N 2.85Å; I21-T25 PolarHBondContact O-OG1 3.02Å; I21-P29 HydrophobicContact CD1-CB 4.31Å; I21-P29 HydrophobicContact CD1-CG 4.26Å; I21-Y40 HydrophobicContact CG1-CE1 4.18Å |
| 22 | S | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.8 | -38 | 179.8 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | C18 N26 A27 A155 Q158 L161 | C18-S22 WeakPolarHBondContact O-CB 3.13Å; C18-S22 PolarHBondContact O-N 2.88Å; S22-N26 WeakPolarHBondContact O-CA 3.44Å; S22-N26 PolarHBondContact O-N 2.89Å; S22-A27 WeakPolarHBondContact CA-O 3.16Å; S22-A27 PolarHBondContact N-O 2.84Å; S22-A155 WeakPolarHBondContact CB-O 3.44Å; S22-A155 PolarHBondContact OG-O 3.47Å; S22-Q158 WeakPolarHBondContact OG-CG 3.46Å; S22-L161 WeakPolarHBondContact OG-CD2 3.37Å |
| 23 | Y | 97.2 | Very high | 93.3 | Very high | 35 Ų | 35 | 52.7 Ų | 52.7 | 14% | 0.137 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.6 | -39.8 | 178 | 178.9 | -111.9 | 0 | 0 | 0 | 113.1 | L19 L20 I21 A42 V44 L53 L55 L161 F165 | L19-Y23 WeakPolarHBondContact O-CB 3.37Å; L19-Y23 PolarHBondContact O-N 3.41Å; L19-Y23 VanDerWaalsContact O-N 3.07Å; L20-Y23 PolarHBondContact O-N 3.12Å; I21-Y23 VanDerWaalsContact C-N 3.26Å; I21-Y23 PolarHBondContact O-N 3.29Å; Y23-A42 HydrophobicContact CE1-CB 4.17Å; Y23-V44 WeakPolarHBondContact OH-CG1 3.35Å; Y23-L53 HydrophobicContact CE1-CD2 4.21Å; Y23-L55 HydrophobicContact CD1-CD1 4.07Å; Y23-L55 HydrophobicContact CE1-CD1 4.4Å; Y23-L161 HydrophobicContact CD2-CG 4.39Å; Y23-F165 VanDerWaalsContact CB-CE2 3.45Å; Y23-F165 HydrophobicContact CD1-CD1 4.27Å; Y23-F165 AromaticContact CD1-CD2 3.74Å; Y23-F165 HydrophobicContact CD1-CD2 3.74Å; Y23-F165 HydrophobicContact CD1-CE1 4.33Å; Y23-F165 AromaticContact CD1-CE2 3.83Å; Y23-F165 HydrophobicContact CD1-CE2 3.83Å; Y23-F165 AromaticContact CD1-CG 3.98Å; Y23-F165 HydrophobicContact CD1-CG 3.98Å; Y23-F165 HydrophobicContact CD1-CZ 4.12Å; Y23-F165 AromaticContact CD2-CD2 3.28Å; Y23-F165 HydrophobicContact CD2-CD2 3.28Å; Y23-F165 AromaticContact CD2-CE2 3.69Å; Y23-F165 HydrophobicContact CD2-CE2 3.69Å; Y23-F165 HydrophobicContact CD2-CG 4.08Å; Y23-F165 HydrophobicContact CE1-CB 4.08Å; Y23-F165 HydrophobicContact CE1-CD1 4.2Å; Y23-F165 AromaticContact CE1-CD2 3.95Å; Y23-F165 HydrophobicContact CE1-CD2 3.95Å; Y23-F165 HydrophobicContact CE1-CE2 4.47Å; Y23-F165 AromaticContact CE1-CG 3.8Å; Y23-F165 HydrophobicContact CE1-CG 3.8Å; Y23-F165 HydrophobicContact CE2-CB 3.86Å; Y23-F165 AromaticContact CE2-CD2 3.5Å; Y23-F165 HydrophobicContact CE2-CD2 3.5Å; Y23-F165 HydrophobicContact CE2-CE2 4.34Å; Y23-F165 AromaticContact CE2-CG 3.89Å; Y23-F165 HydrophobicContact CE2-CG 3.89Å; Y23-F165 AromaticContact CG-CD2 3.39Å; Y23-F165 HydrophobicContact CG-CD2 3.39Å; Y23-F165 AromaticContact CG-CE2 3.37Å; Y23-F165 HydrophobicContact CG-CE2 3.37Å; Y23-F165 HydrophobicContact CG-CG 4.09Å; Y23-F165 HydrophobicContact CG-CZ 4.04Å; Y23-F165 AromaticContact CZ-CD2 3.81Å; Y23-F165 AromaticContact CZ-CG 3.72Å |
| 24 | T | 94.9 | Very high | 93.1 | Very high | 43 Ų | 43 | 53.2 Ų | 53.2 | 26% | 0.264 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -88.1 | -26.5 | -173 | 53 | 0 | 0 | 0 | 0 | 113.5 | L20 I21 L55 | L20-T24 WeakPolarHBondContact O-CB 3.2Å; L20-T24 WeakPolarHBondContact O-CG2 3.3Å; L20-T24 PolarHBondContact O-N 3.01Å; L20-T24 PolarHBondContact O-OG1 2.87Å; I21-T24 PolarHBondContact O-N 2.96Å; I21-T24 PolarHBondContact O-OG1 3.2Å; T24-L55 HydrophobicContact CG2-CD1 3.8Å |
| 25 | T | 93.7 | Very high | 92.8 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 47% | 0.472 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -115.9 | -8.3 | -174.3 | 69.7 | 0 | 0 | 0 | 0 | 113.8 | I21 A27 | I21-T25 HydrophobicContact CG2-CG2 4.29Å; I21-T25 WeakPolarHBondContact CG2-OG1 3.28Å; I21-T25 WeakPolarHBondContact O-CB 3.35Å; I21-T25 PolarHBondContact O-N 2.85Å; I21-T25 PolarHBondContact O-OG1 3.02Å; T25-A27 PolarHBondContact O-N 2.98Å; T25-A27 PolarHBondContact OG1-N 2.9Å |
| 26 | N | 93 | Very high | 92.4 | Very high | 126 Ų | 126 | 56.8 Ų | 56.8 | 67% | 0.674 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 56.6 | 25.5 | -169.6 | -60.1 | -53.9 | 0 | 0 | 0 | 113.9 | S22 Q158 | S22-N26 WeakPolarHBondContact O-CA 3.44Å; S22-N26 PolarHBondContact O-N 2.89Å; N26-Q158 PolarHBondContact O-NE2 2.81Å |
| 27 | A | 93.4 | Very high | 92.1 | Very high | 50 Ų | 50 | 60.5 Ų | 60.5 | 41% | 0.413 | 34% | 0.344 | S | S | . | . | trans | -132.1 | 146.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S22 T25 | S22-A27 WeakPolarHBondContact CA-O 3.16Å; S22-A27 PolarHBondContact N-O 2.84Å; T25-A27 PolarHBondContact O-N 2.98Å; T25-A27 PolarHBondContact OG1-N 2.9Å | ||
| 28 | F | 92.4 | Very high | 91.9 | Very high | 96 Ų | 96 | 62.7 Ų | 62.7 | 42% | 0.421 | 35% | 0.354 | S | S | . | . | trans | -92.8 | 129 | 173 | -172.5 | -96.6 | 0 | 0 | 0 | 110.2 | C18 G30 A155 L156 | C18-F28 HydrophobicContact CB-CD2 4.34Å; C18-F28 HydrophobicContact CB-CE2 3.76Å; C18-F28 HydrophobicContact CB-CZ 4.41Å; F28-G30 PolarHBondContact O-N 2.86Å; F28-A155 HydrophobicContact CD2-CB 4.03Å; F28-A155 HydrophobicContact CE2-CB 3.97Å; F28-L156 HydrophobicContact CB-CD1 4.22Å; F28-L156 HydrophobicContact CD1-CD1 3.82Å; F28-L156 VanDerWaalsContact CD2-CA 3.48Å; F28-L156 HydrophobicContact CD2-CB 4Å; F28-L156 HydrophobicContact CD2-CD1 4.27Å; F28-L156 HydrophobicContact CE1-CD1 4.22Å; F28-L156 HydrophobicContact CE2-CB 4.01Å; F28-L156 HydrophobicContact CG-CB 4.42Å; F28-L156 HydrophobicContact CG-CD1 3.83Å; F28-L156 HydrophobicContact CZ-CB 4.47Å | ||
| 29 | P | 89.3 | Confident | 91.7 | Very high | 32 Ų | 32 | 65.4 Ų | 65.4 | 21% | 0.208 | 37% | 0.367 | C | S | . | . | trans | -68.9 | 133.1 | 179.4 | 28.8 | -34.5 | 0 | 0 | 0 | 110.9 | C18 I21 | C18-P29 HydrophobicContact CB-CG 4.23Å; I21-P29 HydrophobicContact CD1-CB 4.31Å; I21-P29 HydrophobicContact CD1-CG 4.26Å | ||
| 30 | G | 81 | Confident | 91.6 | Very high | 84 Ų | 84 | 67.6 Ų | 67.6 | 87% | 0.866 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -77.4 | -31 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | F28 | F28-G30 PolarHBondContact O-N 2.86Š|
| 31 | E | 84.9 | Confident | 91.5 | Very high | 173 Ų | 173 | 71.7 Ų | 71.7 | 81% | 0.808 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -113.3 | 142.6 | 179.8 | -67.3 | -175.7 | 178.6 | 0 | 0 | 111.2 | ||
| 32 | Y | 80.8 | Confident | 91.4 | Very high | 127 Ų | 127 | 70.8 Ų | 70.8 | 50% | 0.498 | 40% | 0.402 | S | S | . | . | trans | -93.4 | 120 | 175.3 | 176.5 | -117.7 | 0 | 0 | 0 | 111 | A13 P34 | A13-Y32 HydrophobicContact CB-CE1 4.11Å; A13-Y32 PolarHBondContact N-OH 2.91Å; Y32-P34 HydrophobicContact CE1-CG 3.9Å | ||
| 33 | V | 86.3 | Confident | 91.4 | Very high | 103 Ų | 103 | 76.3 Ų | 76.3 | 62% | 0.624 | 43% | 0.432 | S | S | * | . | trans | -117.9 | 126.2 | 168.6 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | T35 | V33-T35 PolarHBondContact O-N 2.91Š| ||
| 34 | P | 90.9 | Very high | 91.3 | Very high | 58 Ų | 58 | 76 Ų | 76 | 38% | 0.377 | 43% | 0.434 | S | S | . | . | trans | -62.7 | 119.6 | 174.8 | -21.3 | 31.9 | 0 | 0 | 0 | 112 | Y32 | Y32-P34 HydrophobicContact CE1-CG 3.9Š| ||
| 35 | T | 90.8 | Very high | 91.3 | Very high | 26 Ų | 26 | 79.2 Ų | 79.2 | 16% | 0.16 | 45% | 0.447 | C | S | . | . | trans | -71.4 | 135.5 | 178.7 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | T17 V33 D38 D57 A59 | T17-T35 PolarHBondContact OG1-OG1 3.09Å; V33-T35 PolarHBondContact O-N 2.91Å; T35-D38 HydrophobicContact CG2-CB 4.38Å; T35-D57 HydrophobicContact CG2-CB 4.27Å; T35-D57 PolarHBondContact OG1-OD2 2.85Å; T35-A59 WeakPolarHBondContact O-CA 3.21Å; T35-A59 VanDerWaalsContact O-CB 3.29Å; T35-A59 WeakPolarHBondContact O-CB 3.43Å | ||
| 36 | V | 88.5 | Confident | 91.3 | Very high | 67 Ų | 67 | 75.6 Ų | 75.6 | 41% | 0.406 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -85.7 | -58.8 | 164.3 | 178.2 | 0 | 0 | 0 | 0 | 108.9 | A59 Y64 L67 | V36-A59 WeakPolarHBondContact O-CB 3.44Å; V36-A59 PolarHBondContact O-N 3.04Å; V36-A59 VanDerWaalsContact O-N 3.09Å; V36-Y64 HydrophobicContact CB-CE1 4.31Å; V36-Y64 HydrophobicContact CG1-CD1 3.98Å; V36-Y64 HydrophobicContact CG1-CE1 3.56Å; V36-Y64 HydrophobicContact CG2-CE1 4.03Å; V36-Y64 HydrophobicContact CG2-CE2 4.46Å; V36-Y64 WeakPolarHBondContact CG2-OH 3.47Å; V36-L67 HydrophobicContact CG1-CD2 4.12Å |
| 37 | F | 91.9 | Very high | 91.3 | Very high | 88 Ų | 88 | 73.1 Ų | 73.1 | 39% | 0.386 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 142.4 | 175.8 | 175.7 | -112.7 | 0 | 0 | 0 | 109.6 | N39 W56 D57 S71 | F37-N39 WeakPolarHBondContact CE1-ND2 3.2Å; F37-N39 VanDerWaalsContact CZ-CG 3.49Å; F37-N39 WeakPolarHBondContact CZ-ND2 3.44Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.48Å; F37-W56 HydrophobicContact CE2-CB 4.31Å; F37-W56 AromaticContact CE2-CD1 3.72Å; F37-W56 HydrophobicContact CE2-CG 4.4Å; F37-W56 AromaticContact CZ-CD1 3.7Å; F37-D57 WeakPolarHBondContact CA-O 3.33Å; F37-D57 WeakPolarHBondContact CD2-O 3.17Å; F37-S71 WeakPolarHBondContact CE2-OG 3.46Å |
| 38 | D | 94.4 | Very high | 91.3 | Very high | 71 Ų | 71 | 81.9 Ų | 81.9 | 38% | 0.38 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 157 | 172.4 | -155.7 | -6.2 | 0 | 0 | 0 | 110.7 | T35 Y40 D57 | T35-D38 HydrophobicContact CG2-CB 4.38Å; D38-Y40 HydrophobicContact CB-CE2 3.91Å; D38-Y40 VanDerWaalsContact OD2-CZ 3.3Å; D38-Y40 PolarHBondContact OD2-OH 3.06Å; D38-D57 HydrophobicContact CB-CB 4.23Å; D38-D57 PolarHBondContact N-O 2.98Å; D38-D57 PolarHBondContact O-N 2.89Å |
| 39 | N | 94.6 | Very high | 91.3 | Very high | 79 Ų | 79 | 81.9 Ų | 81.9 | 42% | 0.422 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 130.1 | 177.3 | -63.7 | -59.9 | 0 | 0 | 0 | 111.4 | F37 L55 W56 | F37-N39 WeakPolarHBondContact CE1-ND2 3.2Å; F37-N39 VanDerWaalsContact CZ-CG 3.49Å; F37-N39 WeakPolarHBondContact CZ-ND2 3.44Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.48Å; N39-L55 WeakPolarHBondContact CA-O 3.49Å; N39-W56 PolarHBondContact OD1-NE1 3.36Å |
| 40 | Y | 95.5 | Very high | 91.6 | Very high | 47 Ų | 47 | 83.4 Ų | 83.4 | 18% | 0.184 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 160.9 | 172.2 | -51.5 | -99.6 | 0 | 0 | 0 | 109.7 | L20 I21 D38 G54 L55 D57 | L20-Y40 HydrophobicContact CB-CD2 4.22Å; L20-Y40 HydrophobicContact CB-CE2 4.33Å; L20-Y40 HydrophobicContact CD1-CD2 4.27Å; L20-Y40 HydrophobicContact CD1-CE2 4.39Å; I21-Y40 HydrophobicContact CG1-CE1 4.18Å; D38-Y40 HydrophobicContact CB-CE2 3.91Å; D38-Y40 VanDerWaalsContact OD2-CZ 3.3Å; D38-Y40 PolarHBondContact OD2-OH 3.06Å; Y40-G54 WeakPolarHBondContact O-CA 3.29Å; Y40-L55 PolarHBondContact N-O 2.93Å; Y40-L55 PolarHBondContact O-N 2.97Å; Y40-D57 HydrophobicContact CE2-CB 4.27Å |
| 41 | S | 95.2 | Very high | 92.4 | Very high | 86 Ų | 86 | 79.5 Ų | 79.5 | 60% | 0.601 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 140.8 | 172.2 | 67.2 | 0 | 0 | 0 | 0 | 110.6 | L53 | S41-L53 CarbonylContact C-O 3.5Å; S41-L53 VanDerWaalsContact CA-O 3.3Å; S41-L53 WeakPolarHBondContact CA-O 3.37Å |
| 42 | A | 94.3 | Very high | 93 | Very high | 18 Ų | 18 | 73.9 Ų | 73.9 | 15% | 0.149 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 132.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y23 V44 L53 | Y23-A42 HydrophobicContact CE1-CB 4.17Å; A42-V44 HydrophobicContact CB-CG1 3.8Å; A42-L53 PolarHBondContact N-O 3.17Å; A42-L53 PolarHBondContact O-N 2.84Å |
| 43 | N | 96 | Very high | 93.9 | Very high | 116 Ų | 116 | 67.9 Ų | 67.9 | 62% | 0.62 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 115.7 | 167.7 | -69.1 | -32.2 | 0 | 0 | 0 | 108.1 | M1 V51 N52 | M1-N43 HydrophobicContact SD-CB 4.5Å; N43-V51 WeakPolarHBondContact CA-O 3.06Å; N43-N52 PolarHBondContact OD1-ND2 3.09Å |
| 44 | V | 95.2 | Very high | 94.5 | Very high | 29 Ų | 29 | 63.3 Ų | 63.3 | 18% | 0.176 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 154.1 | -170.8 | -58.6 | 0 | 0 | 0 | 0 | 112 | Y23 A42 V46 V51 L53 I169 | Y23-V44 WeakPolarHBondContact OH-CG1 3.35Å; A42-V44 HydrophobicContact CB-CG1 3.8Å; V44-V46 HydrophobicContact CG2-CG2 4.35Å; V44-V51 HydrophobicContact CG2-CB 4.22Å; V44-V51 PolarHBondContact N-O 2.94Å; V44-V51 PolarHBondContact O-N 3.32Å; V44-L53 HydrophobicContact CG2-CB 4.38Å; V44-I169 HydrophobicContact CG2-CD1 3.4Å; V44-I169 VanDerWaalsContact CG2-CD1 3.4Å |
| 45 | M | 95 | Very high | 94.8 | Very high | 110 Ų | 110 | 60.6 Ų | 60.6 | 54% | 0.542 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 109.3 | 178.2 | -172.9 | 105.7 | -57.8 | 0 | 0 | 109.1 | P50 | M45-P50 HydrophobicContact CE-CB 3.41Å; M45-P50 VanDerWaalsContact CE-CB 3.41Å; M45-P50 HydrophobicContact CE-CG 4.01Å |
| 46 | V | 94 | Very high | 95.2 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124 | 176.3 | -179 | 0 | 0 | 0 | 0 | 108.7 | V44 R48 K49 I169 R170 | V44-V46 HydrophobicContact CG2-CG2 4.35Å; V46-R48 PolarHBondContact O-N 3.4Å; V46-R48 VanDerWaalsContact O-N 3.17Å; V46-K49 PolarHBondContact N-O 2.71Å; V46-K49 VanDerWaalsContact N-O 3.15Å; V46-K49 WeakPolarHBondContact O-CB 3.38Å; V46-K49 PolarHBondContact O-N 2.92Å; V46-I169 HydrophobicContact CB-CG2 3.84Å; V46-I169 HydrophobicContact CG1-CG2 4.05Å; V46-I169 HydrophobicContact CG2-CB 4.16Å; V46-I169 HydrophobicContact CG2-CD1 3.61Å; V46-I169 HydrophobicContact CG2-CG1 4.5Å; V46-I169 HydrophobicContact CG2-CG2 3.91Å; V46-R170 HydrophobicContact CG1-CG 3.97Å |
| 47 | D | 92.9 | Very high | 95.6 | Very high | 73 Ų | 73 | 59.1 Ų | 59.1 | 39% | 0.39 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 42.6 | -178.5 | -53.4 | -22.9 | 0 | 0 | 0 | 113.1 | K49 R170 M174 | D47-K49 PolarHBondContact O-N 2.92Å; D47-R170 IonicContact OD1-CZ 3.92Å; D47-R170 IonicContact OD1-NE 3.73Å; D47-R170 PolarHBondContact OD1-NE 2.98Å; D47-R170 IonicContact OD1-NH2 2.95Å; D47-R170 PolarHBondContact OD1-NH2 3.06Å; D47-R170 IonicContact OD2-CZ 3.93Å; D47-R170 IonicContact OD2-NE 3.53Å; D47-R170 PolarHBondContact OD2-NE 3.3Å; D47-R170 IonicContact OD2-NH2 3.79Å; D47-M174 HydrophobicContact CB-CE 3.94Å; D47-M174 WeakPolarHBondContact OD2-CE 3.46Å |
| 48 | R | 92.8 | Very high | 95.9 | Very high | 235 Ų | 235 | 55 Ų | 55 | 89% | 0.887 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 16.5 | -176.8 | -48.9 | 178.2 | -173.2 | 178.7 | 1.2 | 114.7 | V46 | V46-R48 PolarHBondContact O-N 3.4Å; V46-R48 VanDerWaalsContact O-N 3.17Å |
| 49 | K | 93.2 | Very high | 96.1 | Very high | 95 Ų | 95 | 51.7 Ų | 51.7 | 41% | 0.413 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124.1 | 176 | -65.7 | -179 | 177.1 | -179.4 | 0 | 110.9 | V46 D47 L173 | V46-K49 PolarHBondContact N-O 2.71Å; V46-K49 VanDerWaalsContact N-O 3.15Å; V46-K49 WeakPolarHBondContact O-CB 3.38Å; V46-K49 PolarHBondContact O-N 2.92Å; D47-K49 PolarHBondContact O-N 2.92Å; K49-L173 HydrophobicContact CB-CD1 4.32Å; K49-L173 HydrophobicContact CD-CD1 4.06Å |
| 50 | P | 96 | Very high | 96.1 | Very high | 65 Ų | 65 | 48.4 Ų | 48.4 | 42% | 0.422 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 127.8 | 178.9 | 27.3 | -30.4 | 0 | 0 | 0 | 110 | M1 M45 | M1-P50 HydrophobicContact CE-CB 3.95Å; M1-P50 HydrophobicContact CG-CB 4.09Å; M1-P50 WeakPolarHBondContact CG-O 3.36Å; M45-P50 HydrophobicContact CE-CB 3.41Å; M45-P50 VanDerWaalsContact CE-CB 3.41Å; M45-P50 HydrophobicContact CE-CG 4.01Å |
| 51 | V | 97.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136 | -178.7 | 174.7 | 0 | 0 | 0 | 0 | 109.3 | Q2 I4 N43 V44 L53 I169 L173 | Q2-V51 WeakPolarHBondContact O-CA 3.4Å; I4-V51 HydrophobicContact CB-CG1 4.08Å; I4-V51 HydrophobicContact CD1-CG1 3.67Å; I4-V51 HydrophobicContact CD1-CG2 4.31Å; I4-V51 HydrophobicContact CG1-CG1 3.83Å; N43-V51 WeakPolarHBondContact CA-O 3.06Å; V44-V51 HydrophobicContact CG2-CB 4.22Å; V44-V51 PolarHBondContact N-O 2.94Å; V44-V51 PolarHBondContact O-N 3.32Å; V51-L53 HydrophobicContact CG1-CB 4.43Å; V51-I169 HydrophobicContact CG1-CD1 4.28Å; V51-I169 HydrophobicContact CG1-CG1 4.35Å; V51-I169 HydrophobicContact CG1-CG2 4.49Å; V51-I169 HydrophobicContact CG2-CG2 3.92Å; V51-L173 HydrophobicContact CG2-CD1 3.9Å |
| 52 | N | 98 | Very high | 95.8 | Very high | 56 Ų | 56 | 52.1 Ų | 52.1 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 104.7 | 163.2 | -178.2 | -77.5 | 0 | 0 | 0 | 106.7 | M1 Q2 A3 I4 N43 | M1-N52 HydrophobicContact CG-CB 4.26Å; M1-N52 HydrophobicContact SD-CB 3.86Å; Q2-N52 PolarHBondContact O-N 2.54Å; A3-N52 CarbonylContact C-O 3.59Å; A3-N52 VanDerWaalsContact CA-O 3.31Å; A3-N52 WeakPolarHBondContact CA-O 3.28Å; I4-N52 PolarHBondContact N-O 2.91Å; N43-N52 PolarHBondContact OD1-ND2 3.09Å |
| 53 | L | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 110.8 | 179.8 | -177.9 | 67.1 | 0 | 0 | 0 | 108.2 | I4 C6 Y23 S41 A42 V44 V51 L55 F165 I169 | I4-L53 HydrophobicContact CB-CD1 4.15Å; I4-L53 HydrophobicContact CG2-CD1 3.93Å; C6-L53 HydrophobicContact CB-CD1 3.84Å; Y23-L53 HydrophobicContact CE1-CD2 4.21Å; S41-L53 CarbonylContact C-O 3.5Å; S41-L53 VanDerWaalsContact CA-O 3.3Å; S41-L53 WeakPolarHBondContact CA-O 3.37Å; A42-L53 PolarHBondContact N-O 3.17Å; A42-L53 PolarHBondContact O-N 2.84Å; V44-L53 HydrophobicContact CG2-CB 4.38Å; V51-L53 HydrophobicContact CG1-CB 4.43Å; L53-L55 HydrophobicContact CD1-CD2 4.38Å; L53-L55 HydrophobicContact CD2-CD2 3.62Å; L53-L55 HydrophobicContact CD2-CG 4.24Å; L53-L55 HydrophobicContact CG-CD2 3.75Å; L53-L55 HydrophobicContact CG-CG 4.16Å; L53-F165 HydrophobicContact CD2-CB 4.25Å; L53-F165 HydrophobicContact CD2-CD1 3.95Å; L53-F165 HydrophobicContact CD2-CG 4.45Å; L53-I169 HydrophobicContact CB-CD1 4.46Å; L53-I169 HydrophobicContact CD1-CD1 4.42Å; L53-I169 HydrophobicContact CD1-CG1 4.07Å; L53-I169 HydrophobicContact CD2-CD1 4.08Å; L53-I169 HydrophobicContact CD2-CG1 4.47Å |
| 54 | G | 98.5 | Very high | 95.8 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 8% | 0.082 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 143.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | I4 C6 Y40 W56 | I4-G54 PolarHBondContact O-N 2.77Å; C6-G54 WeakPolarHBondContact CB-O 3.28Å; C6-G54 PolarHBondContact N-O 2.66Å; Y40-G54 WeakPolarHBondContact O-CA 3.29Å; G54-W56 WeakPolarHBondContact O-CZ3 3.36Å |
| 55 | L | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 114.3 | -174.9 | -61.5 | 169 | 0 | 0 | 0 | 108.6 | C6 L20 Y23 T24 N39 Y40 L53 F165 | C6-L55 HydrophobicContact CB-CD2 3.99Å; C6-L55 WeakPolarHBondContact O-CA 3.03Å; L20-L55 HydrophobicContact CD2-CB 3.76Å; L20-L55 HydrophobicContact CD2-CD1 3.78Å; L20-L55 HydrophobicContact CD2-CD2 3.91Å; L20-L55 HydrophobicContact CD2-CG 4.01Å; Y23-L55 HydrophobicContact CD1-CD1 4.07Å; Y23-L55 HydrophobicContact CE1-CD1 4.4Å; T24-L55 HydrophobicContact CG2-CD1 3.8Å; N39-L55 WeakPolarHBondContact CA-O 3.49Å; Y40-L55 PolarHBondContact N-O 2.93Å; Y40-L55 PolarHBondContact O-N 2.97Å; L53-L55 HydrophobicContact CD1-CD2 4.38Å; L53-L55 HydrophobicContact CD2-CD2 3.62Å; L53-L55 HydrophobicContact CD2-CG 4.24Å; L53-L55 HydrophobicContact CG-CD2 3.75Å; L53-L55 HydrophobicContact CG-CG 4.16Å; L55-F165 HydrophobicContact CD1-CE1 4.39Å; L55-F165 HydrophobicContact CD2-CD1 3.89Å; L55-F165 HydrophobicContact CD2-CE1 3.63Å |
| 56 | W | 98.6 | Very high | 95.9 | Very high | 62 Ų | 62 | 63.3 Ų | 63.3 | 24% | 0.235 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 105.8 | 179.8 | -74.9 | -112 | 0 | 0 | 0 | 108.3 | K5 C6 V7 V8 F37 N39 G54 | K5-W56 HydrophobicContact CB-CE3 4.29Å; K5-W56 HydrophobicContact CB-CH2 3.82Å; K5-W56 HydrophobicContact CB-CZ3 3.66Å; K5-W56 HydrophobicContact CD-CD2 4.13Å; K5-W56 HydrophobicContact CD-CE3 4.23Å; K5-W56 HydrophobicContact CD-CH2 3.85Å; K5-W56 HydrophobicContact CD-CZ2 3.73Å; K5-W56 HydrophobicContact CD-CZ3 4.09Å; K5-W56 HydrophobicContact CG-CD2 3.94Å; K5-W56 HydrophobicContact CG-CE3 3.57Å; K5-W56 HydrophobicContact CG-CH2 3.66Å; K5-W56 HydrophobicContact CG-CZ2 4.01Å; K5-W56 HydrophobicContact CG-CZ3 3.41Å; K5-W56 VanDerWaalsContact CG-CZ3 3.41Å; C6-W56 PolarHBondContact O-N 3.14Å; V7-W56 HydrophobicContact CB-CB 4.33Å; V7-W56 HydrophobicContact CG1-CB 4.31Å; V7-W56 HydrophobicContact CG2-CB 3.89Å; V7-W56 HydrophobicContact CG2-CG 4.2Å; V8-W56 PolarHBondContact N-O 3.24Å; F37-W56 HydrophobicContact CE2-CB 4.31Å; F37-W56 AromaticContact CE2-CD1 3.72Å; F37-W56 HydrophobicContact CE2-CG 4.4Å; F37-W56 AromaticContact CZ-CD1 3.7Å; N39-W56 PolarHBondContact OD1-NE1 3.36Å; G54-W56 WeakPolarHBondContact O-CZ3 3.36Å |
| 57 | D | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 136.6 | 172.6 | -162.8 | 9.7 | 0 | 0 | 0 | 109.8 | T17 L20 T35 F37 D38 Y40 | T17-D57 WeakPolarHBondContact CA-OD2 3.42Å; T17-D57 WeakPolarHBondContact CB-OD2 3.46Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.36Å; T17-D57 PolarHBondContact OG1-OD2 2.96Å; L20-D57 HydrophobicContact CD1-CB 3.43Å; L20-D57 VanDerWaalsContact CD1-CB 3.43Å; T35-D57 HydrophobicContact CG2-CB 4.27Å; T35-D57 PolarHBondContact OG1-OD2 2.85Å; F37-D57 WeakPolarHBondContact CA-O 3.33Å; F37-D57 WeakPolarHBondContact CD2-O 3.17Å; D38-D57 HydrophobicContact CB-CB 4.23Å; D38-D57 PolarHBondContact N-O 2.98Å; D38-D57 PolarHBondContact O-N 2.89Å; Y40-D57 HydrophobicContact CE2-CB 4.27Å |
| 58 | T | 98.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 151.9 | -174.3 | 71.4 | 0 | 0 | 0 | 0 | 113.2 | V7 V8 K16 G60 R68 | V7-T58 HydrophobicContact CG1-CG2 3.84Å; V8-T58 PolarHBondContact O-OG1 2.84Å; K16-T58 WeakPolarHBondContact CE-O 3.49Å; K16-T58 PolarHBondContact NZ-O 3.31Å; T58-G60 PolarHBondContact O-N 3.11Å; T58-R68 HydrophobicContact CG2-CG 4.21Å |
| 59 | A | 96.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 2% | 0.017 | 25% | 0.254 | C | S | . | . | trans | -60 | 133.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T35 V36 Y64 R68 | T35-A59 WeakPolarHBondContact O-CA 3.21Å; T35-A59 VanDerWaalsContact O-CB 3.29Å; T35-A59 WeakPolarHBondContact O-CB 3.43Å; V36-A59 WeakPolarHBondContact O-CB 3.44Å; V36-A59 PolarHBondContact O-N 3.04Å; V36-A59 VanDerWaalsContact O-N 3.09Å; A59-Y64 HydrophobicContact CB-CD1 4.46Å; A59-Y64 HydrophobicContact CB-CD2 3.51Å; A59-Y64 HydrophobicContact CB-CE2 4.35Å; A59-Y64 HydrophobicContact CB-CG 3.57Å; A59-R68 PolarHBondContact O-NE 3.44Å; A59-R68 PolarHBondContact O-NH2 2.7Å | ||
| 60 | G | 94.7 | Very high | 96.6 | Very high | 11 Ų | 11 | 54.9 Ų | 54.9 | 11% | 0.113 | 27% | 0.267 | C | S | . | . | trans | -92.8 | -3.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G10 G12 T58 | G10-G60 VanDerWaalsContact O-CA 3.22Å; G10-G60 WeakPolarHBondContact O-CA 3.49Å; G12-G60 PolarHBondContact N-O 3.42Å; T58-G60 PolarHBondContact O-N 3.11Å | ||
| 61 | Q | 93 | Very high | 96.6 | Very high | 68 Ų | 68 | 52.5 Ų | 52.5 | 32% | 0.318 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -86.6 | 149.4 | -178.7 | -56.7 | 172.3 | 10.5 | 0 | 0 | 110.8 | D63 Y64 R68 | Q61-D63 VanDerWaalsContact C-N 3.28Å; Q61-D63 PolarHBondContact O-N 3.18Å; Q61-Y64 HydrophobicContact CB-CD2 4.11Å; Q61-Y64 PolarHBondContact O-N 3.11Å; Q61-R68 PolarHBondContact O-NH2 2.87Å |
| 62 | E | 92.3 | Very high | 96.7 | Very high | 143 Ų | 143 | 52.5 Ų | 52.5 | 67% | 0.668 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -65.1 | -29.7 | -179.9 | -70.9 | 176.5 | 178 | 0 | 0 | 113.1 | Y64 D65 | E62-Y64 PolarHBondContact O-N 2.87Å; E62-D65 VanDerWaalsContact O-CB 3.28Å; E62-D65 WeakPolarHBondContact O-CB 3.46Å; E62-D65 PolarHBondContact O-N 3.49Å |
| 63 | D | 95.1 | Very high | 96.6 | Very high | 144 Ų | 144 | 53.5 Ų | 53.5 | 77% | 0.77 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -55.6 | -23.9 | 177 | -61.1 | -36.9 | 0 | 0 | 0 | 113 | Q61 | Q61-D63 VanDerWaalsContact C-N 3.28Å; Q61-D63 PolarHBondContact O-N 3.18Å |
| 64 | Y | 95.6 | Very high | 96.5 | Very high | 69 Ų | 69 | 61.9 Ų | 61.9 | 27% | 0.271 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -103.3 | 11.4 | 179.7 | -60.1 | -79.8 | 0 | 0 | 0 | 113.9 | V36 A59 Q61 E62 R66 L67 R68 | V36-Y64 HydrophobicContact CB-CE1 4.31Å; V36-Y64 HydrophobicContact CG1-CD1 3.98Å; V36-Y64 HydrophobicContact CG1-CE1 3.56Å; V36-Y64 HydrophobicContact CG2-CE1 4.03Å; V36-Y64 HydrophobicContact CG2-CE2 4.46Å; V36-Y64 WeakPolarHBondContact CG2-OH 3.47Å; A59-Y64 HydrophobicContact CB-CD1 4.46Å; A59-Y64 HydrophobicContact CB-CD2 3.51Å; A59-Y64 HydrophobicContact CB-CE2 4.35Å; A59-Y64 HydrophobicContact CB-CG 3.57Å; Q61-Y64 HydrophobicContact CB-CD2 4.11Å; Q61-Y64 PolarHBondContact O-N 3.11Å; E62-Y64 PolarHBondContact O-N 2.87Å; Y64-R66 PolarHBondContact O-N 3.44Å; Y64-R66 VanDerWaalsContact O-N 3.11Å; Y64-L67 HydrophobicContact CD1-CB 4.48Å; Y64-L67 HydrophobicContact CD1-CD2 3.92Å; Y64-L67 HydrophobicContact CE1-CD2 4.49Å; Y64-L67 PolarHBondContact O-N 2.74Å; Y64-R68 WeakPolarHBondContact O-CB 3.33Å; Y64-R68 PolarHBondContact O-N 2.98Å |
| 65 | D | 96.2 | Very high | 96.5 | Very high | 56 Ų | 56 | 62 Ų | 62 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.2 | -178.8 | -78.5 | -5.5 | 0 | 0 | 0 | 113 | E62 R68 P69 K96 | E62-D65 VanDerWaalsContact O-CB 3.28Å; E62-D65 WeakPolarHBondContact O-CB 3.46Å; E62-D65 PolarHBondContact O-N 3.49Å; D65-R68 IonicContact OD1-CZ 3.24Å; D65-R68 VanDerWaalsContact OD1-CZ 3.24Å; D65-R68 IonicContact OD1-NH1 2.84Å; D65-R68 PolarHBondContact OD1-NH1 3.21Å; D65-R68 IonicContact OD1-NH2 2.71Å; D65-R68 PolarHBondContact OD1-NH2 2.9Å; D65-P69 WeakPolarHBondContact O-CD 3.45Å; D65-P69 WeakPolarHBondContact O-CG 3.34Å; D65-K96 WeakPolarHBondContact OD1-CE 3.34Å; D65-K96 IonicContact OD1-NZ 2.84Å; D65-K96 PolarHBondContact OD1-NZ 2.81Å; D65-K96 IonicContact OD2-NZ 3.11Å; D65-K96 PolarHBondContact OD2-NZ 2.89Å; D65-K96 VanDerWaalsContact OD2-NZ 3.11Å |
| 66 | R | 95.1 | Very high | 96.5 | Very high | 238 Ų | 238 | 64.9 Ų | 64.9 | 90% | 0.898 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -26.9 | 174.3 | -64.9 | -175.5 | -179.8 | 176.7 | 1 | 114 | Y64 | Y64-R66 PolarHBondContact O-N 3.44Å; Y64-R66 VanDerWaalsContact O-N 3.11Å |
| 67 | L | 95.6 | Very high | 96.5 | Very high | 84 Ų | 84 | 61.9 Ų | 61.9 | 44% | 0.44 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -41.3 | -177.1 | -175.1 | 67 | 0 | 0 | 0 | 111.4 | V36 Y64 P69 L70 | V36-L67 HydrophobicContact CG1-CD2 4.12Å; Y64-L67 HydrophobicContact CD1-CB 4.48Å; Y64-L67 HydrophobicContact CD1-CD2 3.92Å; Y64-L67 HydrophobicContact CE1-CD2 4.49Å; Y64-L67 PolarHBondContact O-N 2.74Å; L67-P69 VanDerWaalsContact C-CD 3.49Å; L67-L70 HydrophobicContact CD1-CD1 3.82Å; L67-L70 VanDerWaalsContact O-CB 3.28Å; L67-L70 WeakPolarHBondContact O-CB 3.36Å; L67-L70 WeakPolarHBondContact O-CG 3.08Å; L67-L70 PolarHBondContact O-N 2.87Å |
| 68 | R | 97.2 | Very high | 96.6 | Very high | 7 Ų | 7 | 62 Ų | 62 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -52 | -43.8 | -176.7 | -175 | -171 | -42.1 | 108.2 | 7.4 | 113.6 | T58 A59 Q61 Y64 D65 L70 S71 Y72 W97 E100 | T58-R68 HydrophobicContact CG2-CG 4.21Å; A59-R68 PolarHBondContact O-NE 3.44Å; A59-R68 PolarHBondContact O-NH2 2.7Å; Q61-R68 PolarHBondContact O-NH2 2.87Å; Y64-R68 WeakPolarHBondContact O-CB 3.33Å; Y64-R68 PolarHBondContact O-N 2.98Å; D65-R68 IonicContact OD1-CZ 3.24Å; D65-R68 VanDerWaalsContact OD1-CZ 3.24Å; D65-R68 IonicContact OD1-NH1 2.84Å; D65-R68 PolarHBondContact OD1-NH1 3.21Å; D65-R68 IonicContact OD1-NH2 2.71Å; D65-R68 PolarHBondContact OD1-NH2 2.9Å; R68-L70 PolarHBondContact O-N 3.2Å; R68-L70 VanDerWaalsContact O-N 3.13Å; R68-S71 WeakPolarHBondContact O-CB 3.2Å; R68-S71 PolarHBondContact O-N 3.35Å; R68-Y72 WeakPolarHBondContact CD-OH 2.89Å; R68-Y72 HydrophobicContact CG-CE1 4.06Å; R68-Y72 WeakPolarHBondContact CG-OH 3.18Å; R68-W97 VanDerWaalsContact CZ-CH2 3.49Å; R68-E100 WeakPolarHBondContact CD-OE1 3.2Å; R68-E100 IonicContact NH1-OE1 3.09Å; R68-E100 PolarHBondContact NH1-OE1 3.37Å; R68-E100 VanDerWaalsContact NH1-OE1 3.09Å; R68-E100 IonicContact NH1-OE2 2.91Å; R68-E100 PolarHBondContact NH1-OE2 3.4Å |
| 69 | P | 97.9 | Very high | 96.6 | Very high | 9 Ų | 9 | 61.9 Ų | 61.9 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -66.3 | -15.2 | -178.4 | -23.4 | 36.6 | 0 | 0 | 0 | 114.8 | D65 L67 S71 Y72 P73 Y104 | D65-P69 WeakPolarHBondContact O-CD 3.45Å; D65-P69 WeakPolarHBondContact O-CG 3.34Å; L67-P69 VanDerWaalsContact C-CD 3.49Å; P69-S71 PolarHBondContact O-N 2.58Å; P69-Y72 HydrophobicContact CB-CD2 3.8Å; P69-Y72 HydrophobicContact CB-CE2 3.95Å; P69-Y72 HydrophobicContact CB-CG 4.5Å; P69-Y72 HydrophobicContact CG-CD2 4.47Å; P69-Y72 HydrophobicContact CG-CE2 4.12Å; P69-Y72 WeakPolarHBondContact O-CB 3.36Å; P69-Y72 PolarHBondContact O-N 3.15Å; P69-P73 WeakPolarHBondContact O-CD 3.4Å; P69-Y104 HydrophobicContact CB-CD1 4.03Å; P69-Y104 HydrophobicContact CB-CD2 4Å; P69-Y104 HydrophobicContact CB-CE1 3.59Å; P69-Y104 HydrophobicContact CB-CE2 3.59Å; P69-Y104 HydrophobicContact CB-CG 4.23Å; P69-Y104 HydrophobicContact CG-CD2 4.39Å; P69-Y104 HydrophobicContact CG-CE1 4.4Å; P69-Y104 HydrophobicContact CG-CE2 3.67Å |
| 70 | L | 96.7 | Very high | 96.7 | Very high | 129 Ų | 129 | 61.8 Ų | 61.8 | 68% | 0.675 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -63.2 | -20.1 | 172.2 | -57.5 | -172.9 | 0 | 0 | 0 | 112.3 | L67 R68 P73 | L67-L70 HydrophobicContact CD1-CD1 3.82Å; L67-L70 VanDerWaalsContact O-CB 3.28Å; L67-L70 WeakPolarHBondContact O-CB 3.36Å; L67-L70 WeakPolarHBondContact O-CG 3.08Å; L67-L70 PolarHBondContact O-N 2.87Å; R68-L70 PolarHBondContact O-N 3.2Å; R68-L70 VanDerWaalsContact O-N 3.13Å; L70-P73 WeakPolarHBondContact O-CD 3.44Å |
| 71 | S | 97.1 | Very high | 96.9 | Very high | 14 Ų | 14 | 61.3 Ų | 61.3 | 10% | 0.098 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -82.3 | -11.5 | 174.5 | -59.8 | 0 | 0 | 0 | 0 | 113.5 | K5 F37 R68 P69 | K5-S71 WeakPolarHBondContact CE-O 3.48Å; K5-S71 PolarHBondContact NZ-O 2.8Å; F37-S71 WeakPolarHBondContact CE2-OG 3.46Å; R68-S71 WeakPolarHBondContact O-CB 3.2Å; R68-S71 PolarHBondContact O-N 3.35Å; P69-S71 PolarHBondContact O-N 2.58Å |
| 72 | Y | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 58 Ų | 58 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | trans | -82.9 | -25.1 | -172.3 | -60.8 | -11.1 | 0 | 0 | 0 | 117.2 | V7 V9 R68 P69 Q74 T75 F78 E100 I101 Y104 V105 | V7-Y72 HydrophobicContact CG1-CD1 3.99Å; V7-Y72 HydrophobicContact CG1-CE1 3.91Å; V9-Y72 HydrophobicContact CG1-CE1 3.79Å; V9-Y72 WeakPolarHBondContact CG1-OH 3.47Å; R68-Y72 WeakPolarHBondContact CD-OH 2.89Å; R68-Y72 HydrophobicContact CG-CE1 4.06Å; R68-Y72 WeakPolarHBondContact CG-OH 3.18Å; P69-Y72 HydrophobicContact CB-CD2 3.8Å; P69-Y72 HydrophobicContact CB-CE2 3.95Å; P69-Y72 HydrophobicContact CB-CG 4.5Å; P69-Y72 HydrophobicContact CG-CD2 4.47Å; P69-Y72 HydrophobicContact CG-CE2 4.12Å; P69-Y72 WeakPolarHBondContact O-CB 3.36Å; P69-Y72 PolarHBondContact O-N 3.15Å; Y72-Q74 PolarHBondContact O-N 3.43Å; Y72-T75 WeakPolarHBondContact O-CB 3.3Å; Y72-T75 PolarHBondContact O-N 2.97Å; Y72-T75 VanDerWaalsContact O-N 3.13Å; Y72-T75 PolarHBondContact O-OG1 3.39Å; Y72-F78 AromaticContact CD1-CE1 3.7Å; Y72-F78 HydrophobicContact CD1-CE1 3.7Å; Y72-F78 HydrophobicContact CD1-CZ 4.03Å; Y72-F78 AromaticContact CE1-CE1 3.87Å; Y72-F78 HydrophobicContact CE1-CE1 3.87Å; Y72-F78 HydrophobicContact CG-CE1 4.18Å; Y72-F78 HydrophobicContact CG-CZ 4.07Å; Y72-E100 HydrophobicContact CE2-CG 4.17Å; Y72-E100 WeakPolarHBondContact CE2-OE1 3.34Å; Y72-E100 PolarHBondContact OH-OE1 3.27Å; Y72-I101 HydrophobicContact CE2-CG2 4.34Å; Y72-Y104 AromaticContact CD2-CD2 3.8Å; Y72-Y104 HydrophobicContact CD2-CD2 3.8Å; Y72-Y104 AromaticContact CD2-CG 3.84Å; Y72-Y104 HydrophobicContact CD2-CG 3.84Å; Y72-Y104 HydrophobicContact CE2-CD2 4.06Å; Y72-V105 VanDerWaalsContact O-CG2 3.31Å; Y72-V105 WeakPolarHBondContact O-CG2 3.22Å | ||
| 73 | P | 97.1 | Very high | 97.5 | Very high | 77 Ų | 77 | 51.4 Ų | 51.4 | 50% | 0.5 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 134.6 | 178 | -29.1 | 36.5 | 0 | 0 | 0 | 111.6 | K5 P69 L70 T75 | K5-P73 PolarHBondContact NZ-O 2.87Å; P69-P73 WeakPolarHBondContact O-CD 3.4Å; L70-P73 WeakPolarHBondContact O-CD 3.44Å; P73-T75 PolarHBondContact O-N 3.17Å |
| 74 | Q | 96.2 | Very high | 97.6 | Very high | 177 Ų | 177 | 44.5 Ų | 44.5 | 83% | 0.827 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 22.4 | 178.7 | -50.9 | 173.9 | -50.4 | 0 | 0 | 114.8 | Y72 D76 | Y72-Q74 PolarHBondContact O-N 3.43Å; Q74-D76 PolarHBondContact O-N 3.45Å |
| 75 | T | 98.6 | Very high | 97.5 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 6% | 0.055 | 21% | 0.212 | C | C | . | . | trans | -63.9 | 127.7 | 171.2 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | V7 Y72 P73 V77 F78 | V7-T75 HydrophobicContact CB-CG2 4.03Å; V7-T75 HydrophobicContact CG2-CG2 3.74Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.45Å; Y72-T75 WeakPolarHBondContact O-CB 3.3Å; Y72-T75 PolarHBondContact O-N 2.97Å; Y72-T75 VanDerWaalsContact O-N 3.13Å; Y72-T75 PolarHBondContact O-OG1 3.39Å; P73-T75 PolarHBondContact O-N 3.17Å; T75-V77 WeakPolarHBondContact CG2-O 3.49Å; T75-F78 HydrophobicContact CG2-CD1 4.24Å; T75-F78 HydrophobicContact CG2-CD2 3.64Å; T75-F78 HydrophobicContact CG2-CE1 4.04Å; T75-F78 HydrophobicContact CG2-CE2 3.38Å; T75-F78 HydrophobicContact CG2-CG 4.07Å; T75-F78 HydrophobicContact CG2-CZ 3.62Å | ||
| 76 | D | 98.4 | Very high | 97.4 | Very high | 61 Ų | 61 | 42.2 Ų | 42.2 | 33% | 0.326 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -87 | -32.2 | 176.7 | -65.2 | -59.5 | 0 | 0 | 0 | 112 | I4 K5 Q74 P109 V172 | I4-D76 WeakPolarHBondContact CA-OD2 3.31Å; I4-D76 HydrophobicContact CG2-CB 3.99Å; K5-D76 PolarHBondContact N-OD2 3.17Å; K5-D76 WeakPolarHBondContact O-CB 3.32Å; K5-D76 PolarHBondContact O-N 2.75Å; Q74-D76 PolarHBondContact O-N 3.45Å; D76-P109 WeakPolarHBondContact O-CD 3.18Å; D76-P109 WeakPolarHBondContact O-CG 3.22Å; D76-V172 HydrophobicContact CB-CG1 4.1Å; D76-V172 HydrophobicContact CB-CG2 3.9Å; D76-V172 WeakPolarHBondContact O-CG2 3.41Å |
| 77 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 144.2 | 178 | 60 | 0 | 0 | 0 | 0 | 111.1 | I4 K5 C6 V7 T75 P109 I111 A168 V172 | I4-V77 HydrophobicContact CG2-CG1 4.22Å; K5-V77 PolarHBondContact O-N 3.25Å; C6-V77 WeakPolarHBondContact CA-O 3.44Å; C6-V77 HydrophobicContact CB-CG1 3.82Å; V7-V77 PolarHBondContact N-O 3.28Å; T75-V77 WeakPolarHBondContact CG2-O 3.49Å; V77-P109 HydrophobicContact CB-CG 4.18Å; V77-P109 HydrophobicContact CG2-CG 4.16Å; V77-P109 WeakPolarHBondContact CG2-O 3.46Å; V77-I111 HydrophobicContact CG2-CG1 4.14Å; V77-A168 HydrophobicContact CG1-CB 4.14Å; V77-A168 HydrophobicContact CG2-CB 4.07Å; V77-V172 HydrophobicContact CB-CG2 3.76Å; V77-V172 HydrophobicContact CG1-CG2 4.01Å |
| 78 | F | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 136.4 | 171.1 | -74.8 | -88.2 | 0 | 0 | 0 | 111.5 | V7 V9 Y72 T75 I101 V105 A108 P109 I110 I111 | V7-F78 HydrophobicContact CB-CD1 3.83Å; V7-F78 HydrophobicContact CB-CE1 3.73Å; V7-F78 HydrophobicContact CG1-CD1 4.16Å; V7-F78 HydrophobicContact CG1-CE1 3.89Å; V7-F78 HydrophobicContact CG2-CE1 4.42Å; V7-F78 WeakPolarHBondContact O-CA 3.4Å; V9-F78 HydrophobicContact CG1-CD1 4.25Å; V9-F78 HydrophobicContact CG1-CE1 4.41Å; Y72-F78 AromaticContact CD1-CE1 3.7Å; Y72-F78 HydrophobicContact CD1-CE1 3.7Å; Y72-F78 HydrophobicContact CD1-CZ 4.03Å; Y72-F78 AromaticContact CE1-CE1 3.87Å; Y72-F78 HydrophobicContact CE1-CE1 3.87Å; Y72-F78 HydrophobicContact CG-CE1 4.18Å; Y72-F78 HydrophobicContact CG-CZ 4.07Å; T75-F78 HydrophobicContact CG2-CD1 4.24Å; T75-F78 HydrophobicContact CG2-CD2 3.64Å; T75-F78 HydrophobicContact CG2-CE1 4.04Å; T75-F78 HydrophobicContact CG2-CE2 3.38Å; T75-F78 HydrophobicContact CG2-CG 4.07Å; T75-F78 HydrophobicContact CG2-CZ 3.62Å; F78-I101 HydrophobicContact CB-CD1 4.35Å; F78-I101 HydrophobicContact CD1-CB 4.4Å; F78-I101 HydrophobicContact CD1-CG2 3.84Å; F78-I101 HydrophobicContact CE1-CB 4.28Å; F78-I101 HydrophobicContact CE1-CG2 3.76Å; F78-I101 HydrophobicContact CE2-CB 4.42Å; F78-I101 HydrophobicContact CG-CD1 4.37Å; F78-I101 HydrophobicContact CG-CG2 4.37Å; F78-I101 HydrophobicContact CZ-CB 4.28Å; F78-I101 HydrophobicContact CZ-CG2 4.24Å; F78-V105 HydrophobicContact CE2-CB 3.83Å; F78-V105 HydrophobicContact CE2-CG1 4.22Å; F78-V105 HydrophobicContact CE2-CG2 4.14Å; F78-V105 HydrophobicContact CZ-CB 4.24Å; F78-V105 HydrophobicContact CZ-CG2 4.06Å; F78-A108 HydrophobicContact CD2-CB 3.78Å; F78-A108 HydrophobicContact CE2-CB 3.86Å; F78-P109 PolarHBondContact N-O 2.79Å; F78-I110 HydrophobicContact CB-CG1 4.41Å; F78-I111 PolarHBondContact O-N 3Å |
| 79 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 117.1 | 156.9 | -60 | -174.2 | 0 | 0 | 0 | 108.2 | V7 V8 V9 L19 I111 V113 V164 F165 A168 | V7-L79 PolarHBondContact O-N 3.29Å; V8-L79 WeakPolarHBondContact CA-O 3.39Å; V8-L79 HydrophobicContact CB-CB 4.43Å; V8-L79 HydrophobicContact CG1-CB 4.08Å; V8-L79 HydrophobicContact CG2-CB 4.19Å; V8-L79 HydrophobicContact CG2-CD1 4.03Å; V8-L79 HydrophobicContact CG2-CG 4.4Å; V9-L79 PolarHBondContact N-O 2.9Å; L19-L79 HydrophobicContact CD2-CD1 4.12Å; L79-I111 HydrophobicContact CD2-CB 3.63Å; L79-I111 HydrophobicContact CD2-CG1 3.99Å; L79-I111 HydrophobicContact CD2-CG2 4.12Å; L79-V113 HydrophobicContact CB-CG2 4.36Å; L79-V113 HydrophobicContact CD2-CG2 4.11Å; L79-V164 HydrophobicContact CD1-CG1 3.71Å; L79-V164 HydrophobicContact CD2-CG1 3.92Å; L79-V164 HydrophobicContact CG-CG1 4.47Å; L79-F165 HydrophobicContact CD1-CD1 4.26Å; L79-F165 HydrophobicContact CD1-CE1 3.79Å; L79-F165 HydrophobicContact CD1-CZ 4.35Å; L79-A168 HydrophobicContact CD2-CB 3.94Å |
| 80 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 106.7 | 172.7 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | V9 V93 W97 I101 I110 I111 L112 V113 | V9-V80 HydrophobicContact CG2-CB 4.34Å; V9-V80 HydrophobicContact CG2-CG1 4.44Å; V9-V80 HydrophobicContact CG2-CG2 3.79Å; V80-V93 HydrophobicContact CG1-CG1 4.01Å; V80-V93 HydrophobicContact CG1-CG2 4.2Å; V80-W97 HydrophobicContact CG1-CB 3.9Å; V80-I101 HydrophobicContact CG2-CD1 3.54Å; V80-I110 HydrophobicContact CB-CG2 4.28Å; V80-I110 HydrophobicContact CG2-CG2 3.66Å; V80-I111 PolarHBondContact N-O 2.79Å; V80-L112 HydrophobicContact CB-CD1 4.42Å; V80-L112 HydrophobicContact CG1-CD1 4.34Å; V80-V113 PolarHBondContact O-N 2.83Å |
| 81 | C | 99 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 138 | -174.9 | -65.4 | 0 | 0 | 0 | 0 | 111.9 | V9 G10 V14 K16 V113 T115 | V9-C81 PolarHBondContact O-N 3.05Å; G10-C81 VanDerWaalsContact CA-O 3.31Å; G10-C81 WeakPolarHBondContact CA-O 3.12Å; V14-C81 HydrophobicContact CG2-CB 3.92Å; K16-C81 HydrophobicContact CG-CB 3.99Å; C81-V113 WeakPolarHBondContact CA-O 3.35Å; C81-T115 HydrophobicContact CB-CG2 4.15Å |
| 82 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 158.7 | 164.3 | 71.5 | -84.5 | 0 | 0 | 0 | 109 | L84 S89 F90 V93 L112 V113 T115 V133 Y150 | F82-L84 HydrophobicContact CE2-CD2 3.86Å; F82-L84 HydrophobicContact CZ-CD2 4.09Å; F82-S89 WeakPolarHBondContact CB-O 3.42Å; F82-F90 HydrophobicContact CD1-CD2 4.16Å; F82-F90 HydrophobicContact CD2-CB 3.67Å; F82-F90 AromaticContact CD2-CD2 3.74Å; F82-F90 HydrophobicContact CD2-CD2 3.74Å; F82-F90 HydrophobicContact CD2-CG 4.15Å; F82-F90 AromaticContact CE1-CD2 3.97Å; F82-F90 HydrophobicContact CE1-CD2 3.97Å; F82-F90 HydrophobicContact CE1-CE2 4.39Å; F82-F90 HydrophobicContact CE2-CB 4.13Å; F82-F90 AromaticContact CE2-CD2 3.53Å; F82-F90 HydrophobicContact CE2-CD2 3.53Å; F82-F90 HydrophobicContact CE2-CE2 4.32Å; F82-F90 HydrophobicContact CE2-CG 4.17Å; F82-F90 HydrophobicContact CG-CB 4.19Å; F82-F90 HydrophobicContact CG-CD2 4.05Å; F82-F90 AromaticContact CZ-CD2 3.65Å; F82-F90 HydrophobicContact CZ-CD2 3.65Å; F82-F90 HydrophobicContact CZ-CE2 4.08Å; F82-V93 HydrophobicContact CB-CG2 3.94Å; F82-V93 HydrophobicContact CD1-CG2 4.07Å; F82-V93 HydrophobicContact CG-CG2 4.27Å; F82-L112 HydrophobicContact CD1-CD1 3.76Å; F82-L112 HydrophobicContact CD1-CG 4.29Å; F82-L112 HydrophobicContact CE1-CD1 3.86Å; F82-L112 HydrophobicContact CE1-CD2 4.17Å; F82-L112 HydrophobicContact CE1-CG 3.88Å; F82-V113 WeakPolarHBondContact CD1-O 3.41Å; F82-V113 PolarHBondContact N-O 2.9Å; F82-T115 PolarHBondContact O-N 3.45Å; F82-T115 PolarHBondContact O-OG1 2.91Å; F82-V133 HydrophobicContact CE2-CB 3.98Å; F82-V133 HydrophobicContact CE2-CG1 3.82Å; F82-V133 HydrophobicContact CE2-CG2 4.11Å; F82-V133 HydrophobicContact CZ-CG1 4.22Å; F82-Y150 AromaticContact CE1-CE2 3.82Å; F82-Y150 HydrophobicContact CE1-CE2 3.82Å; F82-Y150 AromaticContact CZ-CE2 3.84Å; F82-Y150 HydrophobicContact CZ-CE2 3.84Å |
| 83 | S | 98.2 | Very high | 97.7 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 131.7 | 175.6 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | V85 S86 S89 T115 K116 | S83-V85 PolarHBondContact O-N 2.88Å; S83-V85 WeakPolarHBondContact OG-CG2 3.34Å; S83-S86 PolarHBondContact O-N 2.9Å; S83-S89 PolarHBondContact N-OG 3.42Å; S83-T115 WeakPolarHBondContact CA-OG1 3.46Å; S83-K116 WeakPolarHBondContact OG-CD 3.46Å |
| 84 | L | 97.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -17.1 | 176.7 | -70.1 | 169.7 | 0 | 0 | 0 | 113.6 | F82 T115 R117 R120 P132 V133 E152 | F82-L84 HydrophobicContact CE2-CD2 3.86Å; F82-L84 HydrophobicContact CZ-CD2 4.09Å; L84-T115 WeakPolarHBondContact CB-O 3.48Å; L84-T115 WeakPolarHBondContact CG-O 3.48Å; L84-T115 PolarHBondContact N-O 3.19Å; L84-R117 HydrophobicContact CD1-CB 4.08Å; L84-R120 HydrophobicContact CB-CB 4.24Å; L84-P132 CarbonylContact O-C 3.59Å; L84-P132 WeakPolarHBondContact O-CA 3.35Å; L84-P132 WeakPolarHBondContact O-CB 3.26Å; L84-V133 HydrophobicContact CD2-CB 4.3Å; L84-V133 PolarHBondContact O-N 3.45Å; L84-E152 HydrophobicContact CD1-CB 4.18Å; L84-E152 HydrophobicContact CD1-CG 4.1Å; L84-E152 HydrophobicContact CD2-CG 4.2Å |
| 85 | V | 94.3 | Very high | 97.9 | Very high | 35 Ų | 35 | 32.7 Ų | 32.7 | 21% | 0.212 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 16.2 | 176.4 | -62.2 | 0 | 0 | 0 | 0 | 113.1 | S83 L119 R120 | S83-V85 PolarHBondContact O-N 2.88Å; S83-V85 WeakPolarHBondContact OG-CG2 3.34Å; V85-L119 HydrophobicContact CG1-CB 3.8Å; V85-L119 HydrophobicContact CG2-CB 4.16Å; V85-L119 HydrophobicContact CG2-CD1 3.91Å; V85-R120 HydrophobicContact CG1-CB 4.34Å |
| 86 | S | 94.7 | Very high | 97.9 | Very high | 42 Ų | 42 | 33.8 Ų | 33.8 | 29% | 0.294 | 17% | 0.174 | S | C | . | . | trans | -133.9 | 100.5 | 172.5 | 174.3 | 0 | 0 | 0 | 0 | 111 | S83 T88 S89 F90 | S83-S86 PolarHBondContact O-N 2.9Å; S86-T88 VanDerWaalsContact C-N 3.31Å; S86-T88 PolarHBondContact O-N 3.36Å; S86-S89 WeakPolarHBondContact CB-OG 3.34Å; S86-S89 PolarHBondContact O-N 2.7Å; S86-S89 PolarHBondContact O-OG 2.87Å; S86-S89 PolarHBondContact OG-N 3.36Å; S86-S89 PolarHBondContact OG-OG 3.33Å; S86-F90 PolarHBondContact O-N 2.87Å | ||
| 87 | R | 94.9 | Very high | 97.9 | Very high | 79 Ų | 79 | 30.9 Ų | 30.9 | 30% | 0.298 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -60.4 | -38.9 | 177.5 | -76.8 | -167.3 | 172.6 | -86.2 | -15.2 | 112.8 | S89 F90 E91 F131 P132 V133 E137 | R87-S89 VanDerWaalsContact C-N 3.31Å; R87-S89 PolarHBondContact O-N 2.92Å; R87-F90 WeakPolarHBondContact O-CA 3.4Å; R87-F90 WeakPolarHBondContact O-CB 3.44Å; R87-F90 PolarHBondContact O-N 2.98Å; R87-E91 WeakPolarHBondContact O-CG 3.16Å; R87-E91 PolarHBondContact O-N 3.28Å; R87-F131 VanDerWaalsContact CZ-O 3.27Å; R87-F131 PolarHBondContact NE-O 3.29Å; R87-F131 PolarHBondContact NH2-O 3.5Å; R87-F131 VanDerWaalsContact NH2-O 3.1Å; R87-P132 PolarHBondContact NH2-O 3.46Å; R87-V133 HydrophobicContact CG-CG2 4.42Å; R87-E137 IonicContact CZ-OE1 2.63Å; R87-E137 IonicContact NH1-OE1 2.85Å; R87-E137 PolarHBondContact NH1-OE1 3.07Å; R87-E137 IonicContact NH2-OE1 3.91Å; R87-E137 PolarHBondContact NH2-OE1 2.92Å; R87-E137 IonicContact NH2-OE2 2.79Å |
| 88 | T | 96.3 | Very high | 97.9 | Very high | 88 Ų | 88 | 33.1 Ų | 33.1 | 54% | 0.54 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -57.2 | -45.5 | 175.8 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | S86 F90 E91 N92 | S86-T88 VanDerWaalsContact C-N 3.31Å; S86-T88 PolarHBondContact O-N 3.36Å; T88-F90 PolarHBondContact O-N 2.74Å; T88-E91 PolarHBondContact O-N 2.76Å; T88-N92 WeakPolarHBondContact O-CB 3.49Å; T88-N92 VanDerWaalsContact O-CG 3.3Å; T88-N92 PolarHBondContact O-N 2.94Å |
| 89 | S | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.4 | -30.4 | 177.7 | 74.2 | 0 | 0 | 0 | 0 | 113.3 | D11 F82 S83 S86 R87 | D11-S89 VanDerWaalsContact OD2-CA 3.27Å; D11-S89 WeakPolarHBondContact OD2-CA 3.11Å; F82-S89 WeakPolarHBondContact CB-O 3.42Å; S83-S89 PolarHBondContact N-OG 3.42Å; S86-S89 WeakPolarHBondContact CB-OG 3.34Å; S86-S89 PolarHBondContact O-N 2.7Å; S86-S89 PolarHBondContact O-OG 2.87Å; S86-S89 PolarHBondContact OG-N 3.36Å; S86-S89 PolarHBondContact OG-OG 3.33Å; R87-S89 VanDerWaalsContact C-N 3.31Å; R87-S89 PolarHBondContact O-N 2.92Å |
| 90 | F | 98.5 | Very high | 97.9 | Very high | 19 Ų | 19 | 37.2 Ų | 37.2 | 8% | 0.083 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.6 | -42.4 | 175.4 | 174.6 | -110.9 | 0 | 0 | 0 | 112 | F82 S86 R87 T88 N92 V93 V133 E137 M141 | F82-F90 HydrophobicContact CD1-CD2 4.16Å; F82-F90 HydrophobicContact CD2-CB 3.67Å; F82-F90 AromaticContact CD2-CD2 3.74Å; F82-F90 HydrophobicContact CD2-CD2 3.74Å; F82-F90 HydrophobicContact CD2-CG 4.15Å; F82-F90 AromaticContact CE1-CD2 3.97Å; F82-F90 HydrophobicContact CE1-CD2 3.97Å; F82-F90 HydrophobicContact CE1-CE2 4.39Å; F82-F90 HydrophobicContact CE2-CB 4.13Å; F82-F90 AromaticContact CE2-CD2 3.53Å; F82-F90 HydrophobicContact CE2-CD2 3.53Å; F82-F90 HydrophobicContact CE2-CE2 4.32Å; F82-F90 HydrophobicContact CE2-CG 4.17Å; F82-F90 HydrophobicContact CG-CB 4.19Å; F82-F90 HydrophobicContact CG-CD2 4.05Å; F82-F90 AromaticContact CZ-CD2 3.65Å; F82-F90 HydrophobicContact CZ-CD2 3.65Å; F82-F90 HydrophobicContact CZ-CE2 4.08Å; S86-F90 PolarHBondContact O-N 2.87Å; R87-F90 WeakPolarHBondContact O-CA 3.4Å; R87-F90 WeakPolarHBondContact O-CB 3.44Å; R87-F90 PolarHBondContact O-N 2.98Å; T88-F90 PolarHBondContact O-N 2.74Å; F90-N92 VanDerWaalsContact C-N 3.32Å; F90-N92 PolarHBondContact O-N 2.94Å; F90-V93 VanDerWaalsContact O-CB 3.25Å; F90-V93 WeakPolarHBondContact O-CB 2.85Å; F90-V93 WeakPolarHBondContact O-CG2 3.43Å; F90-V93 PolarHBondContact O-N 3.25Å; F90-V133 HydrophobicContact CB-CG2 3.77Å; F90-V133 HydrophobicContact CD1-CG1 4.22Å; F90-V133 HydrophobicContact CD1-CG2 4.09Å; F90-V133 HydrophobicContact CD2-CG1 3.89Å; F90-V133 HydrophobicContact CD2-CG2 4.4Å; F90-V133 HydrophobicContact CE1-CG1 4.25Å; F90-V133 HydrophobicContact CE2-CG1 3.92Å; F90-V133 HydrophobicContact CG-CG1 4.03Å; F90-V133 HydrophobicContact CG-CG2 3.83Å; F90-V133 HydrophobicContact CZ-CG1 4.1Å; F90-E137 HydrophobicContact CE1-CB 4.23Å; F90-E137 HydrophobicContact CZ-CB 3.96Å; F90-M141 HydrophobicContact CD1-CE 4.43Å; F90-M141 HydrophobicContact CD2-CE 4.44Å; F90-M141 HydrophobicContact CE1-CE 4Å; F90-M141 HydrophobicContact CE2-CB 3.5Å; F90-M141 VanDerWaalsContact CE2-CB 3.5Å; F90-M141 HydrophobicContact CE2-CE 4.02Å; F90-M141 HydrophobicContact CE2-CG 3.81Å; F90-M141 HydrophobicContact CZ-CB 3.64Å; F90-M141 HydrophobicContact CZ-CE 3.78Å; F90-M141 HydrophobicContact CZ-CG 4.23Å |
| 91 | E | 98.3 | Very high | 97.8 | Very high | 103 Ų | 103 | 37.3 Ų | 37.3 | 48% | 0.481 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.7 | -38.6 | 175.9 | -70.4 | 167.8 | -171.6 | 0 | 0 | 111.5 | R87 T88 V93 R94 S95 | R87-E91 WeakPolarHBondContact O-CG 3.16Å; R87-E91 PolarHBondContact O-N 3.28Å; T88-E91 PolarHBondContact O-N 2.76Å; E91-V93 PolarHBondContact O-N 3.38Å; E91-R94 PolarHBondContact O-N 3.06Å; E91-S95 PolarHBondContact O-N 3.37Å; E91-S95 PolarHBondContact O-OG 2.83Å |
| 92 | N | 98.8 | Very high | 97.7 | Very high | 38 Ų | 38 | 39.2 Ų | 39.2 | 20% | 0.203 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.6 | -20.4 | 176.5 | -76 | -15.2 | 0 | 0 | 0 | 114 | D11 T88 F90 R94 S95 K96 W97 | D11-N92 WeakPolarHBondContact OD1-CB 3.31Å; D11-N92 PolarHBondContact OD1-ND2 2.73Å; D11-N92 PolarHBondContact OD2-ND2 3.19Å; T88-N92 WeakPolarHBondContact O-CB 3.49Å; T88-N92 VanDerWaalsContact O-CG 3.3Å; T88-N92 PolarHBondContact O-N 2.94Å; F90-N92 VanDerWaalsContact C-N 3.32Å; F90-N92 PolarHBondContact O-N 2.94Å; N92-R94 VanDerWaalsContact C-N 3.26Å; N92-R94 PolarHBondContact O-N 3.28Å; N92-S95 WeakPolarHBondContact CA-OG 3.36Å; N92-S95 PolarHBondContact OD1-OG 3.19Å; N92-K96 WeakPolarHBondContact O-CA 3.46Å; N92-K96 WeakPolarHBondContact O-CB 3.37Å; N92-K96 PolarHBondContact O-N 3.13Å; N92-W97 VanDerWaalsContact O-CD1 3.23Å; N92-W97 PolarHBondContact O-N 3.48Å |
| 93 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -54.7 | -47.3 | 170.5 | 173.7 | 0 | 0 | 0 | 0 | 110.2 | V80 F82 F90 E91 H98 L112 M141 I145 | V80-V93 HydrophobicContact CG1-CG1 4.01Å; V80-V93 HydrophobicContact CG1-CG2 4.2Å; F82-V93 HydrophobicContact CB-CG2 3.94Å; F82-V93 HydrophobicContact CD1-CG2 4.07Å; F82-V93 HydrophobicContact CG-CG2 4.27Å; F90-V93 VanDerWaalsContact O-CB 3.25Å; F90-V93 WeakPolarHBondContact O-CB 2.85Å; F90-V93 WeakPolarHBondContact O-CG2 3.43Å; F90-V93 PolarHBondContact O-N 3.25Å; E91-V93 PolarHBondContact O-N 3.38Å; V93-H98 WeakPolarHBondContact O-CB 3.26Å; V93-H98 PolarHBondContact O-N 3.1Å; V93-L112 HydrophobicContact CG1-CD1 3.71Å; V93-L112 HydrophobicContact CG2-CD1 3.99Å; V93-M141 HydrophobicContact CB-CG 4.28Å; V93-M141 HydrophobicContact CB-SD 4.15Å; V93-M141 HydrophobicContact CG1-CG 3.8Å; V93-M141 HydrophobicContact CG1-SD 3.89Å; V93-I145 HydrophobicContact CG1-CD1 3.68Å; V93-I145 HydrophobicContact CG1-CG2 4.27Å |
| 94 | R | 98.6 | Very high | 97.6 | Very high | 130 Ų | 130 | 49.5 Ų | 49.5 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | I | π-helix | trans | -81.7 | -44.6 | -178.4 | 177.7 | 179.8 | 68.4 | -179.8 | -1.2 | 112.8 | E91 N92 P99 M141 E144 | E91-R94 PolarHBondContact O-N 3.06Å; N92-R94 VanDerWaalsContact C-N 3.26Å; N92-R94 PolarHBondContact O-N 3.28Å; R94-P99 WeakPolarHBondContact O-CD 3.23Å; R94-P99 WeakPolarHBondContact O-CG 3.35Å; R94-M141 HydrophobicContact CB-CE 4.08Å; R94-M141 HydrophobicContact CB-SD 3.88Å; R94-E144 WeakPolarHBondContact CD-OE1 3.39Å; R94-E144 IonicContact CZ-OE1 3.68Å; R94-E144 IonicContact NE-OE1 2.92Å; R94-E144 IonicContact NH1-OE1 3.31Å; R94-E144 PolarHBondContact NH1-OE1 2.94Å; R94-E144 IonicContact NH1-OE2 3.13Å |
| 95 | S | 98.4 | Very high | 97.6 | Very high | 78 Ų | 78 | 50.8 Ų | 50.8 | 55% | 0.545 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -78.7 | -26.5 | -172.3 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | E91 N92 | E91-S95 PolarHBondContact O-N 3.37Å; E91-S95 PolarHBondContact O-OG 2.83Å; N92-S95 WeakPolarHBondContact CA-OG 3.36Å; N92-S95 PolarHBondContact OD1-OG 3.19Å |
| 96 | K | 98.6 | Very high | 97.7 | Very high | 32 Ų | 32 | 53.8 Ų | 53.8 | 14% | 0.139 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -123.6 | -64.3 | -175.2 | 178.9 | 174.6 | 179.4 | 160.8 | 0 | 113.2 | D65 N92 P99 E100 | D65-K96 WeakPolarHBondContact OD1-CE 3.34Å; D65-K96 IonicContact OD1-NZ 2.84Å; D65-K96 PolarHBondContact OD1-NZ 2.81Å; D65-K96 IonicContact OD2-NZ 3.11Å; D65-K96 PolarHBondContact OD2-NZ 2.89Å; D65-K96 VanDerWaalsContact OD2-NZ 3.11Å; N92-K96 WeakPolarHBondContact O-CA 3.46Å; N92-K96 WeakPolarHBondContact O-CB 3.37Å; N92-K96 PolarHBondContact O-N 3.13Å; K96-P99 WeakPolarHBondContact O-CD 3.46Å; K96-E100 WeakPolarHBondContact O-CB 3.48Å; K96-E100 PolarHBondContact O-N 2.95Å |
| 97 | W | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | I | π-helix | trans | -68.3 | -46.3 | -164 | -62.9 | 110.2 | 0 | 0 | 0 | 113.5 | V9 G10 D11 R68 V80 N92 E100 I101 | V9-W97 HydrophobicContact CB-CE3 3.8Å; V9-W97 HydrophobicContact CB-CZ3 4.09Å; V9-W97 HydrophobicContact CG2-CE3 4.17Å; G10-W97 WeakPolarHBondContact O-CH2 3.15Å; G10-W97 WeakPolarHBondContact O-CZ2 3.11Å; D11-W97 PolarHBondContact OD1-NE1 2.95Å; R68-W97 VanDerWaalsContact CZ-CH2 3.49Å; V80-W97 HydrophobicContact CG1-CB 3.9Å; N92-W97 VanDerWaalsContact O-CD1 3.23Å; N92-W97 PolarHBondContact O-N 3.48Å; W97-E100 PolarHBondContact O-N 3.2Å; W97-I101 WeakPolarHBondContact O-CG1 3.37Å; W97-I101 PolarHBondContact O-N 2.65Å |
| 98 | H | 98.7 | Very high | 97.8 | Very high | 47 Ų | 47 | 60 Ų | 60 | 22% | 0.218 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.6 | -47.3 | 177.5 | 167.8 | -111.6 | 0 | 0 | 0 | 112.7 | V93 E100 I101 S102 I145 | V93-H98 WeakPolarHBondContact O-CB 3.26Å; V93-H98 PolarHBondContact O-N 3.1Å; H98-E100 VanDerWaalsContact C-N 3.34Å; H98-E100 PolarHBondContact O-N 2.84Å; H98-I101 WeakPolarHBondContact O-CG1 3.49Å; H98-S102 PolarHBondContact CD2-OG 3.07Å; H98-S102 PolarHBondContact NE2-OG 3.48Å; H98-S102 WeakPolarHBondContact O-CB 3.43Å; H98-S102 PolarHBondContact O-N 2.87Å; H98-S102 PolarHBondContact O-OG 2.97Å; H98-I145 HydrophobicContact CB-CB 4.12Å; H98-I145 HydrophobicContact CB-CG2 3.85Å; H98-I145 PolarHBondContact NE2-O 3.42Å |
| 99 | P | 98.5 | Very high | 97.9 | Very high | 60 Ų | 60 | 57.2 Ų | 57.2 | 39% | 0.39 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.1 | -44.6 | 172.2 | -28.6 | 35 | 0 | 0 | 0 | 113.4 | R94 K96 S102 A103 | R94-P99 WeakPolarHBondContact O-CD 3.23Å; R94-P99 WeakPolarHBondContact O-CG 3.35Å; K96-P99 WeakPolarHBondContact O-CD 3.46Å; P99-S102 PolarHBondContact O-N 3.22Å; P99-A103 WeakPolarHBondContact O-CB 3.32Å; P99-A103 PolarHBondContact O-N 3.41Å |
| 100 | E | 98.4 | Very high | 97.9 | Very high | 27 Ų | 27 | 57.9 Ų | 57.9 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.9 | -56.9 | -179.7 | -172 | -176.3 | 119.2 | 0 | 0 | 111.2 | R68 Y72 K96 W97 H98 S102 A103 Y104 | R68-E100 WeakPolarHBondContact CD-OE1 3.2Å; R68-E100 IonicContact NH1-OE1 3.09Å; R68-E100 PolarHBondContact NH1-OE1 3.37Å; R68-E100 VanDerWaalsContact NH1-OE1 3.09Å; R68-E100 IonicContact NH1-OE2 2.91Å; R68-E100 PolarHBondContact NH1-OE2 3.4Å; Y72-E100 HydrophobicContact CE2-CG 4.17Å; Y72-E100 WeakPolarHBondContact CE2-OE1 3.34Å; Y72-E100 PolarHBondContact OH-OE1 3.27Å; K96-E100 WeakPolarHBondContact O-CB 3.48Å; K96-E100 PolarHBondContact O-N 2.95Å; W97-E100 PolarHBondContact O-N 3.2Å; H98-E100 VanDerWaalsContact C-N 3.34Å; H98-E100 PolarHBondContact O-N 2.84Å; E100-S102 VanDerWaalsContact C-N 3.27Å; E100-S102 PolarHBondContact O-N 3.33Å; E100-A103 WeakPolarHBondContact O-CB 3.35Å; E100-A103 PolarHBondContact O-N 2.76Å; E100-A103 VanDerWaalsContact O-N 3.12Å; E100-Y104 HydrophobicContact CG-CD2 4.47Å; E100-Y104 HydrophobicContact CG-CE2 4.33Å; E100-Y104 VanDerWaalsContact O-CD2 3.28Å; E100-Y104 WeakPolarHBondContact O-CD2 3.27Å; E100-Y104 PolarHBondContact O-N 3.38Å |
| 101 | I | 98 | Very high | 97.9 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.7 | -32.9 | -178 | 66.8 | -169.7 | 0 | 0 | 0 | 112.2 | V9 Y72 F78 V80 W97 H98 A103 Y104 V105 I110 | V9-I101 HydrophobicContact CG1-CG2 4.42Å; V9-I101 HydrophobicContact CG2-CG2 4.07Å; Y72-I101 HydrophobicContact CE2-CG2 4.34Å; F78-I101 HydrophobicContact CB-CD1 4.35Å; F78-I101 HydrophobicContact CD1-CB 4.4Å; F78-I101 HydrophobicContact CD1-CG2 3.84Å; F78-I101 HydrophobicContact CE1-CB 4.28Å; F78-I101 HydrophobicContact CE1-CG2 3.76Å; F78-I101 HydrophobicContact CE2-CB 4.42Å; F78-I101 HydrophobicContact CG-CD1 4.37Å; F78-I101 HydrophobicContact CG-CG2 4.37Å; F78-I101 HydrophobicContact CZ-CB 4.28Å; F78-I101 HydrophobicContact CZ-CG2 4.24Å; V80-I101 HydrophobicContact CG2-CD1 3.54Å; W97-I101 WeakPolarHBondContact O-CG1 3.37Å; W97-I101 PolarHBondContact O-N 2.65Å; H98-I101 WeakPolarHBondContact O-CG1 3.49Å; I101-A103 VanDerWaalsContact C-N 3.31Å; I101-A103 PolarHBondContact O-N 3.31Å; I101-Y104 PolarHBondContact O-N 3.01Å; I101-V105 CarbonylContact O-C 3.55Å; I101-V105 PolarHBondContact O-N 3.22Å; I101-I110 HydrophobicContact CD1-CD1 3.56Å; I101-I110 HydrophobicContact CD1-CG1 3.78Å; I101-I110 HydrophobicContact CG1-CD1 4.2Å |
| 102 | S | 97 | Very high | 97.9 | Very high | 40 Ų | 40 | 52.1 Ų | 52.1 | 28% | 0.28 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.6 | -31 | 177.1 | -61 | 0 | 0 | 0 | 0 | 112.4 | H98 P99 E100 P106 | H98-S102 PolarHBondContact CD2-OG 3.07Å; H98-S102 PolarHBondContact NE2-OG 3.48Å; H98-S102 WeakPolarHBondContact O-CB 3.43Å; H98-S102 PolarHBondContact O-N 2.87Å; H98-S102 PolarHBondContact O-OG 2.97Å; P99-S102 PolarHBondContact O-N 3.22Å; E100-S102 VanDerWaalsContact C-N 3.27Å; E100-S102 PolarHBondContact O-N 3.33Å; S102-P106 WeakPolarHBondContact O-CB 3.3Å; S102-P106 WeakPolarHBondContact O-CD 3.42Å |
| 103 | A | 97.3 | Very high | 97.9 | Very high | 81 Ų | 81 | 50.3 Ų | 50.3 | 67% | 0.669 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -68.2 | -35 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P99 E100 I101 | P99-A103 WeakPolarHBondContact O-CB 3.32Å; P99-A103 PolarHBondContact O-N 3.41Å; E100-A103 WeakPolarHBondContact O-CB 3.35Å; E100-A103 PolarHBondContact O-N 2.76Å; E100-A103 VanDerWaalsContact O-N 3.12Å; I101-A103 VanDerWaalsContact C-N 3.31Å; I101-A103 PolarHBondContact O-N 3.31Å |
| 104 | Y | 97.8 | Very high | 97.9 | Very high | 137 Ų | 137 | 50.3 Ų | 50.3 | 54% | 0.537 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -93.5 | -42 | -178.2 | -70.9 | -84.1 | 0 | 0 | 0 | 113.7 | P69 Y72 E100 I101 | P69-Y104 HydrophobicContact CB-CD1 4.03Å; P69-Y104 HydrophobicContact CB-CD2 4Å; P69-Y104 HydrophobicContact CB-CE1 3.59Å; P69-Y104 HydrophobicContact CB-CE2 3.59Å; P69-Y104 HydrophobicContact CB-CG 4.23Å; P69-Y104 HydrophobicContact CG-CD2 4.39Å; P69-Y104 HydrophobicContact CG-CE1 4.4Å; P69-Y104 HydrophobicContact CG-CE2 3.67Å; Y72-Y104 AromaticContact CD2-CD2 3.8Å; Y72-Y104 HydrophobicContact CD2-CD2 3.8Å; Y72-Y104 AromaticContact CD2-CG 3.84Å; Y72-Y104 HydrophobicContact CD2-CG 3.84Å; Y72-Y104 HydrophobicContact CE2-CD2 4.06Å; E100-Y104 HydrophobicContact CG-CD2 4.47Å; E100-Y104 HydrophobicContact CG-CE2 4.33Å; E100-Y104 VanDerWaalsContact O-CD2 3.28Å; E100-Y104 WeakPolarHBondContact O-CD2 3.27Å; E100-Y104 PolarHBondContact O-N 3.38Å; I101-Y104 PolarHBondContact O-N 3.01Å |
| 105 | V | 97.4 | Very high | 97.9 | Very high | 27 Ų | 27 | 44.4 Ų | 44.4 | 16% | 0.164 | 24% | 0.24 | C | C | . | . | trans | -139.3 | 66.7 | -171.4 | -163.1 | 0 | 0 | 0 | 0 | 110.8 | Y72 F78 I101 R107 A108 | Y72-V105 VanDerWaalsContact O-CG2 3.31Å; Y72-V105 WeakPolarHBondContact O-CG2 3.22Å; F78-V105 HydrophobicContact CE2-CB 3.83Å; F78-V105 HydrophobicContact CE2-CG1 4.22Å; F78-V105 HydrophobicContact CE2-CG2 4.14Å; F78-V105 HydrophobicContact CZ-CB 4.24Å; F78-V105 HydrophobicContact CZ-CG2 4.06Å; I101-V105 CarbonylContact O-C 3.55Å; I101-V105 PolarHBondContact O-N 3.22Å; V105-R107 PolarHBondContact O-N 3.37Å; V105-A108 HydrophobicContact CB-CB 4.47Å; V105-A108 HydrophobicContact CG1-CB 3.68Å; V105-A108 PolarHBondContact O-N 3.07Å | ||
| 106 | P | 95.4 | Very high | 97.8 | Very high | 99 Ų | 99 | 43.7 Ų | 43.7 | 64% | 0.643 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -12.2 | -171.9 | 24.1 | -34.9 | 0 | 0 | 0 | 115.3 | S102 | S102-P106 WeakPolarHBondContact O-CB 3.3Å; S102-P106 WeakPolarHBondContact O-CD 3.42Å |
| 107 | R | 94.2 | Very high | 97.8 | Very high | 237 Ų | 237 | 44.1 Ų | 44.1 | 89% | 0.894 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -14.2 | -174.9 | -69.3 | -173.8 | -76.4 | 176.8 | -4.6 | 114 | V105 | V105-R107 PolarHBondContact O-N 3.37Š|
| 108 | A | 96.9 | Very high | 97.6 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 12% | 0.116 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -73.3 | 133.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | F78 V105 | F78-A108 HydrophobicContact CD2-CB 3.78Å; F78-A108 HydrophobicContact CE2-CB 3.86Å; V105-A108 HydrophobicContact CB-CB 4.47Å; V105-A108 HydrophobicContact CG1-CB 3.68Å; V105-A108 PolarHBondContact O-N 3.07Å |
| 109 | P | 98.2 | Very high | 97.4 | Very high | 30 Ų | 30 | 46.9 Ų | 46.9 | 20% | 0.195 | 24% | 0.244 | C | C | . | . | trans | -59 | 146.1 | 171.7 | 24.4 | -35.2 | 0 | 0 | 0 | 111.5 | D76 V77 F78 V148 A171 V172 | D76-P109 WeakPolarHBondContact O-CD 3.18Å; D76-P109 WeakPolarHBondContact O-CG 3.22Å; V77-P109 HydrophobicContact CB-CG 4.18Å; V77-P109 HydrophobicContact CG2-CG 4.16Å; V77-P109 WeakPolarHBondContact CG2-O 3.46Å; F78-P109 PolarHBondContact N-O 2.79Å; P109-V148 HydrophobicContact CB-CG1 4.08Å; P109-V148 HydrophobicContact CB-CG2 4.27Å; P109-A171 HydrophobicContact CB-CB 3.96Å; P109-A171 HydrophobicContact CG-CB 4.05Å; P109-V172 HydrophobicContact CG-CG2 4.46Å | ||
| 110 | I | 98.7 | Very high | 97.1 | Very high | 15 Ų | 15 | 45.5 Ų | 45.5 | 8% | 0.077 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130.5 | 178.1 | -64.1 | 162.3 | 0 | 0 | 0 | 108.8 | F78 V80 I101 I145 A147 V148 | F78-I110 HydrophobicContact CB-CG1 4.41Å; V80-I110 HydrophobicContact CB-CG2 4.28Å; V80-I110 HydrophobicContact CG2-CG2 3.66Å; I101-I110 HydrophobicContact CD1-CD1 3.56Å; I101-I110 HydrophobicContact CD1-CG1 3.78Å; I101-I110 HydrophobicContact CG1-CD1 4.2Å; I110-I145 HydrophobicContact CG2-CD1 4.16Å; I110-A147 HydrophobicContact CB-CB 4.31Å; I110-A147 HydrophobicContact CG2-CB 4.02Å; I110-A147 CarbonylContact O-C 3.49Å; I110-A147 VanDerWaalsContact O-CA 3.26Å; I110-A147 WeakPolarHBondContact O-CA 3.47Å; I110-A147 WeakPolarHBondContact O-CB 3.36Å; I110-V148 PolarHBondContact O-N 2.63Å |
| 111 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120.9 | 163.9 | -49.7 | -65.6 | 0 | 0 | 0 | 107.4 | V77 F78 L79 V80 V113 V148 K149 L151 A168 A171 | V77-I111 HydrophobicContact CG2-CG1 4.14Å; F78-I111 PolarHBondContact O-N 3Å; L79-I111 HydrophobicContact CD2-CB 3.63Å; L79-I111 HydrophobicContact CD2-CG1 3.99Å; L79-I111 HydrophobicContact CD2-CG2 4.12Å; V80-I111 PolarHBondContact N-O 2.79Å; I111-V113 HydrophobicContact CG2-CG2 3.95Å; I111-V148 HydrophobicContact CD1-CG2 3.39Å; I111-K149 HydrophobicContact CD1-CB 3.89Å; I111-K149 HydrophobicContact CD1-CG 4.34Å; I111-K149 HydrophobicContact CG2-CB 4.36Å; I111-L151 HydrophobicContact CG2-CD1 4.11Å; I111-A168 HydrophobicContact CG1-CB 4.14Å; I111-A171 HydrophobicContact CD1-CB 4.26Å |
| 112 | L | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 127.3 | 171.9 | -178.2 | 64.2 | 0 | 0 | 0 | 109.1 | V80 F82 V93 M141 A142 I145 A147 K149 Y150 L151 | V80-L112 HydrophobicContact CB-CD1 4.42Å; V80-L112 HydrophobicContact CG1-CD1 4.34Å; F82-L112 HydrophobicContact CD1-CD1 3.76Å; F82-L112 HydrophobicContact CD1-CG 4.29Å; F82-L112 HydrophobicContact CE1-CD1 3.86Å; F82-L112 HydrophobicContact CE1-CD2 4.17Å; F82-L112 HydrophobicContact CE1-CG 3.88Å; V93-L112 HydrophobicContact CG1-CD1 3.71Å; V93-L112 HydrophobicContact CG2-CD1 3.99Å; L112-M141 HydrophobicContact CD2-CB 3.8Å; L112-M141 HydrophobicContact CD2-CG 3.64Å; L112-A142 HydrophobicContact CB-CB 4.31Å; L112-A142 HydrophobicContact CD2-CB 3.94Å; L112-I145 HydrophobicContact CB-CD1 4.39Å; L112-I145 HydrophobicContact CD1-CD1 4.2Å; L112-A147 HydrophobicContact CB-CB 4.14Å; L112-K149 PolarHBondContact N-O 3.23Å; L112-Y150 HydrophobicContact CB-CD2 4.08Å; L112-Y150 HydrophobicContact CD2-CD2 3.81Å; L112-Y150 HydrophobicContact CD2-CE2 4.28Å; L112-Y150 HydrophobicContact CG-CD2 3.8Å; L112-Y150 HydrophobicContact CG-CE2 4.27Å; L112-Y150 WeakPolarHBondContact O-CA 3.46Å; L112-Y150 WeakPolarHBondContact O-CD2 3.39Å; L112-L151 PolarHBondContact O-N 3.21Å |
| 113 | V | 99 | Very high | 95 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 114 | -174.8 | -173.5 | 0 | 0 | 0 | 0 | 111 | L79 V80 C81 F82 I111 T115 L151 V164 | L79-V113 HydrophobicContact CB-CG2 4.36Å; L79-V113 HydrophobicContact CD2-CG2 4.11Å; V80-V113 PolarHBondContact O-N 2.83Å; C81-V113 WeakPolarHBondContact CA-O 3.35Å; F82-V113 WeakPolarHBondContact CD1-O 3.41Å; F82-V113 PolarHBondContact N-O 2.9Å; I111-V113 HydrophobicContact CG2-CG2 3.95Å; V113-T115 HydrophobicContact CG1-CG2 4.12Å; V113-L151 CarbonylContact C-O 3.49Å; V113-L151 WeakPolarHBondContact CA-O 3.19Å; V113-V164 HydrophobicContact CG1-CG1 4.37Å; V113-V164 HydrophobicContact CG1-CG2 3.98Å; V113-V164 HydrophobicContact CG2-CG1 3.82Å; V113-V164 HydrophobicContact CG2-CG2 4.4Å |
| 114 | G | 98.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 107.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L151 E152 C153 | G114-L151 PolarHBondContact N-O 3.44Å; G114-E152 CarbonylContact O-C 3.57Å; G114-E152 VanDerWaalsContact O-CA 3.24Å; G114-E152 WeakPolarHBondContact O-CA 3.25Å; G114-C153 PolarHBondContact O-N 3.1Å |
| 115 | T | 98.7 | Very high | 92 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 169.6 | -178.2 | 64.8 | 0 | 0 | 0 | 0 | 112.2 | V14 C81 F82 S83 L84 V113 C153 | V14-T115 WeakPolarHBondContact O-CB 3.41Å; V14-T115 PolarHBondContact O-OG1 2.75Å; C81-T115 HydrophobicContact CB-CG2 4.15Å; F82-T115 PolarHBondContact O-N 3.45Å; F82-T115 PolarHBondContact O-OG1 2.91Å; S83-T115 WeakPolarHBondContact CA-OG1 3.46Å; L84-T115 WeakPolarHBondContact CB-O 3.48Å; L84-T115 WeakPolarHBondContact CG-O 3.48Å; L84-T115 PolarHBondContact N-O 3.19Å; V113-T115 HydrophobicContact CG1-CG2 4.12Å; T115-C153 CarbonylContact C-O 3.42Å |
| 116 | K | 96.7 | Very high | 90.2 | Very high | 64 Ų | 64 | 55.4 Ų | 55.4 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | trans | 61 | 41.5 | 178.8 | -46.3 | -166.9 | -167.1 | 178.4 | 0 | 112.9 | A13 V14 S83 D118 L119 R120 C153 | A13-K116 WeakPolarHBondContact O-CE 3.18Å; A13-K116 PolarHBondContact O-NZ 2.92Å; V14-K116 VanDerWaalsContact O-CE 3.28Å; V14-K116 WeakPolarHBondContact O-CE 3.21Å; S83-K116 WeakPolarHBondContact OG-CD 3.46Å; K116-D118 WeakPolarHBondContact CA-OD1 3.11Å; K116-D118 PolarHBondContact O-N 2.71Å; K116-L119 HydrophobicContact CB-CB 4.35Å; K116-L119 HydrophobicContact CB-CD1 4Å; K116-L119 HydrophobicContact CB-CG 4.12Å; K116-L119 HydrophobicContact CD-CD1 3.72Å; K116-L119 HydrophobicContact CG-CD1 4.44Å; K116-L119 PolarHBondContact O-N 2.85Å; K116-R120 PolarHBondContact O-N 3.31Å; K116-C153 PolarHBondContact N-O 3.34Å; K116-C153 VanDerWaalsContact N-O 3.16Å | ||
| 117 | R | 97 | Very high | 88.4 | Confident | 40 Ų | 40 | 58.4 Ų | 58.4 | 15% | 0.151 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -51.6 | -39.9 | 175.2 | -176.4 | 87.8 | -169.5 | 81.5 | 5.2 | 112.3 | L84 L119 R120 D121 E152 C153 F159 | L84-R117 HydrophobicContact CD1-CB 4.08Å; R117-L119 VanDerWaalsContact C-N 3.27Å; R117-L119 PolarHBondContact O-N 2.8Å; R117-R120 PolarHBondContact O-N 3.35Å; R117-D121 IonicContact CZ-OD1 3.13Å; R117-D121 IonicContact CZ-OD2 2.88Å; R117-D121 IonicContact NE-OD2 3.56Å; R117-D121 IonicContact NH1-OD1 2.64Å; R117-D121 PolarHBondContact NH1-OD1 2.87Å; R117-D121 IonicContact NH1-OD2 2.95Å; R117-D121 PolarHBondContact NH1-OD2 2.96Å; R117-D121 VanDerWaalsContact NH2-CG 3.34Å; R117-D121 IonicContact NH2-OD1 2.91Å; R117-D121 PolarHBondContact NH2-OD1 2.98Å; R117-D121 IonicContact NH2-OD2 2.93Å; R117-D121 PolarHBondContact NH2-OD2 3.49Å; R117-D121 PolarHBondContact O-N 3.22Å; R117-E152 WeakPolarHBondContact CD-OE2 3.43Å; R117-E152 IonicContact CZ-OE2 3.53Å; R117-E152 IonicContact NE-OE2 2.76Å; R117-E152 PolarHBondContact NE-OE2 3.17Å; R117-E152 VanDerWaalsContact NE-OE2 3.13Å; R117-C153 VanDerWaalsContact CB-O 3.3Å; R117-C153 WeakPolarHBondContact CB-O 3.21Å; R117-C153 PolarHBondContact N-O 3.37Å; R117-F159 HydrophobicContact CB-CD1 4.45Å; R117-F159 HydrophobicContact CG-CD1 3.98Å; R117-F159 HydrophobicContact CG-CE1 4.18Å |
| 118 | D | 95.3 | Very high | 86.6 | Confident | 35 Ų | 35 | 49.4 Ų | 49.4 | 19% | 0.187 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.9 | -38.7 | 176.7 | 55.5 | -71.8 | 0 | 0 | 0 | 112.7 | K116 S122 S154 T157 | K116-D118 WeakPolarHBondContact CA-OD1 3.11Å; K116-D118 PolarHBondContact O-N 2.71Å; D118-S122 WeakPolarHBondContact O-CB 3.46Å; D118-S122 PolarHBondContact O-N 2.92Å; D118-S154 WeakPolarHBondContact OD1-CB 3.43Å; D118-S154 PolarHBondContact OD1-OG 2.87Å; D118-T157 HydrophobicContact CB-CG2 4.05Å |
| 119 | L | 93.8 | Very high | 84.7 | Confident | 71 Ų | 71 | 55.1 Ų | 55.1 | 37% | 0.372 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -72.3 | -39.1 | 178.3 | -60.5 | -173.7 | 0 | 0 | 0 | 112 | V85 K116 R117 S122 G125 | V85-L119 HydrophobicContact CG1-CB 3.8Å; V85-L119 HydrophobicContact CG2-CB 4.16Å; V85-L119 HydrophobicContact CG2-CD1 3.91Å; K116-L119 HydrophobicContact CB-CB 4.35Å; K116-L119 HydrophobicContact CB-CD1 4Å; K116-L119 HydrophobicContact CB-CG 4.12Å; K116-L119 HydrophobicContact CD-CD1 3.72Å; K116-L119 HydrophobicContact CG-CD1 4.44Å; K116-L119 PolarHBondContact O-N 2.85Å; R117-L119 VanDerWaalsContact C-N 3.27Å; R117-L119 PolarHBondContact O-N 2.8Å; L119-S122 WeakPolarHBondContact O-CB 3.47Å; L119-S122 PolarHBondContact O-N 3.21Å; L119-S122 PolarHBondContact O-OG 3.37Å; L119-G125 WeakPolarHBondContact O-CA 3.37Å |
| 120 | R | 93.2 | Very high | 83.1 | Confident | 31 Ų | 31 | 56.6 Ų | 56.6 | 12% | 0.117 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 176.1 | -178.5 | 177.3 | 90.5 | -160.5 | -3.5 | 111.6 | L84 V85 K116 R117 S122 P132 V133 E152 | L84-R120 HydrophobicContact CB-CB 4.24Å; V85-R120 HydrophobicContact CG1-CB 4.34Å; K116-R120 PolarHBondContact O-N 3.31Å; R117-R120 PolarHBondContact O-N 3.35Å; R120-S122 VanDerWaalsContact C-N 3.28Å; R120-P132 HydrophobicContact CB-CB 4.35Å; R120-P132 HydrophobicContact CG-CB 3.62Å; R120-P132 HydrophobicContact CG-CG 4.26Å; R120-V133 VanDerWaalsContact CD-O 3.28Å; R120-V133 WeakPolarHBondContact CD-O 3.34Å; R120-V133 PolarHBondContact NH1-O 3.01Å; R120-E152 IonicContact CZ-OE1 3.57Å; R120-E152 IonicContact CZ-OE2 3.64Å; R120-E152 VanDerWaalsContact CZ-OE2 3.24Å; R120-E152 VanDerWaalsContact NH1-CD 3.26Å; R120-E152 IonicContact NH1-OE1 2.8Å; R120-E152 PolarHBondContact NH1-OE1 3.34Å; R120-E152 IonicContact NH1-OE2 3.59Å; R120-E152 PolarHBondContact NH1-OE2 2.56Å; R120-E152 VanDerWaalsContact NH1-OE2 3.14Å; R120-E152 IonicContact NH2-OE1 3.3Å; R120-E152 IonicContact NH2-OE2 3.63Å; R120-E152 PolarHBondContact NH2-OE2 3.37Å |
| 121 | D | 88.5 | Confident | 82.3 | Confident | 98 Ų | 98 | 63.4 Ų | 63.4 | 52% | 0.524 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -81.6 | -7.4 | -179.1 | -70.1 | -16.6 | 0 | 0 | 0 | 113.3 | R117 | R117-D121 IonicContact CZ-OD1 3.13Å; R117-D121 IonicContact CZ-OD2 2.88Å; R117-D121 IonicContact NE-OD2 3.56Å; R117-D121 IonicContact NH1-OD1 2.64Å; R117-D121 PolarHBondContact NH1-OD1 2.87Å; R117-D121 IonicContact NH1-OD2 2.95Å; R117-D121 PolarHBondContact NH1-OD2 2.96Å; R117-D121 VanDerWaalsContact NH2-CG 3.34Å; R117-D121 IonicContact NH2-OD1 2.91Å; R117-D121 PolarHBondContact NH2-OD1 2.98Å; R117-D121 IonicContact NH2-OD2 2.93Å; R117-D121 PolarHBondContact NH2-OD2 3.49Å; R117-D121 PolarHBondContact O-N 3.22Å |
| 122 | S | 85.8 | Confident | 82 | Confident | 36 Ų | 36 | 64.5 Ų | 64.5 | 25% | 0.252 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -64.5 | 149.6 | 176.8 | 75.8 | 0 | 0 | 0 | 0 | 111.1 | D118 L119 R120 N124 G125 | D118-S122 WeakPolarHBondContact O-CB 3.46Å; D118-S122 PolarHBondContact O-N 2.92Å; L119-S122 WeakPolarHBondContact O-CB 3.47Å; L119-S122 PolarHBondContact O-N 3.21Å; L119-S122 PolarHBondContact O-OG 3.37Å; R120-S122 VanDerWaalsContact C-N 3.28Å; S122-N124 PolarHBondContact O-N 3.2Å; S122-G125 PolarHBondContact O-N 3.23Å; S122-G125 PolarHBondContact OG-N 2.93Å |
| 123 | P | 75.5 | Confident | 81.8 | Confident | 114 Ų | 114 | 64.6 Ų | 64.6 | 74% | 0.74 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -28.2 | 176.2 | -26.3 | 34.3 | 0 | 0 | 0 | 113.9 | ||
| 124 | N | 71.1 | Confident | 81.6 | Confident | 113 Ų | 113 | 67.7 Ų | 67.7 | 60% | 0.604 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -21.8 | 177.1 | -68.6 | -21.4 | 0 | 0 | 0 | 112.8 | S122 L126 K127 S128 | S122-N124 PolarHBondContact O-N 3.2Å; N124-L126 PolarHBondContact O-N 3.04Å; N124-K127 CarbonylContact O-C 3.56Å; N124-K127 WeakPolarHBondContact O-CA 3.28Å; N124-K127 WeakPolarHBondContact O-CB 3.22Å; N124-K127 PolarHBondContact O-N 2.93Å; N124-S128 PolarHBondContact O-N 3.41Å |
| 125 | G | 60.9 | Low | 81.6 | Confident | 6 Ų | 6 | 73.8 Ų | 73.8 | 6% | 0.062 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -58.8 | -37.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L119 S122 K127 S128 P132 | L119-G125 WeakPolarHBondContact O-CA 3.37Å; S122-G125 PolarHBondContact O-N 3.23Å; S122-G125 PolarHBondContact OG-N 2.93Å; G125-K127 VanDerWaalsContact C-N 3.29Å; G125-K127 PolarHBondContact O-N 2.89Å; G125-S128 PolarHBondContact O-N 3.28Å; G125-P132 WeakPolarHBondContact O-CG 3.31Å |
| 126 | L | 58.6 | Low | 81.5 | Confident | 154 Ų | 154 | 76 Ų | 76 | 81% | 0.806 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -70.5 | -22.3 | 173.7 | -119.9 | 75.3 | 0 | 0 | 0 | 113.8 | N124 | N124-L126 PolarHBondContact O-N 3.04Š|
| 127 | K | 57.1 | Low | 81.6 | Confident | 163 Ų | 163 | 74.3 Ų | 74.3 | 71% | 0.709 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -91.1 | -11.6 | 179.2 | -62.1 | -177.8 | -178.3 | 177.5 | 0 | 112.9 | N124 G125 T129 | N124-K127 CarbonylContact O-C 3.56Å; N124-K127 WeakPolarHBondContact O-CA 3.28Å; N124-K127 WeakPolarHBondContact O-CB 3.22Å; N124-K127 PolarHBondContact O-N 2.93Å; G125-K127 VanDerWaalsContact C-N 3.29Å; G125-K127 PolarHBondContact O-N 2.89Å; K127-T129 PolarHBondContact O-N 3.32Å |
| 128 | S | 56.4 | Low | 81.7 | Confident | 48 Ų | 48 | 72.4 Ų | 72.4 | 34% | 0.336 | 39% | 0.392 | S | S | . | . | trans | -61 | 133.2 | 178.1 | -171.9 | 0 | 0 | 0 | 0 | 110 | N124 G125 T130 | N124-S128 PolarHBondContact O-N 3.41Å; G125-S128 PolarHBondContact O-N 3.28Å; S128-T130 PolarHBondContact O-N 2.97Å; S128-T130 VanDerWaalsContact O-N 3.16Å; S128-T130 PolarHBondContact OG-N 3.37Å; S128-T130 PolarHBondContact OG-OG1 3.19Å | ||
| 129 | T | 57.8 | Low | 81.9 | Confident | 133 Ų | 133 | 72 Ų | 72 | 82% | 0.816 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -59.9 | -22.2 | 172.1 | 52.9 | 0 | 0 | 0 | 0 | 111.9 | K127 F131 | K127-T129 PolarHBondContact O-N 3.32Å; T129-F131 PolarHBondContact O-N 3.35Å |
| 130 | T | 63.7 | Low | 82.1 | Confident | 61 Ų | 61 | 75.1 Ų | 75.1 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -84.9 | 94.8 | 172 | 66.1 | 0 | 0 | 0 | 0 | 108.7 | S128 P132 | S128-T130 PolarHBondContact O-N 2.97Å; S128-T130 VanDerWaalsContact O-N 3.16Å; S128-T130 PolarHBondContact OG-N 3.37Å; S128-T130 PolarHBondContact OG-OG1 3.19Å; T130-P132 WeakPolarHBondContact O-CD 3.39Å |
| 131 | F | 82.8 | Confident | 82.4 | Confident | 158 Ų | 158 | 74.1 Ų | 74.1 | 69% | 0.693 | 40% | 0.395 | S | S | * | . | trans | -45.6 | 112.9 | 172.6 | -68.6 | -88.4 | 0 | 0 | 0 | 110.1 | R87 T129 | R87-F131 VanDerWaalsContact CZ-O 3.27Å; R87-F131 PolarHBondContact NE-O 3.29Å; R87-F131 PolarHBondContact NH2-O 3.5Å; R87-F131 VanDerWaalsContact NH2-O 3.1Å; T129-F131 PolarHBondContact O-N 3.35Å | ||
| 132 | P | 91.7 | Very high | 82.9 | Confident | 24 Ų | 24 | 69.8 Ų | 69.8 | 16% | 0.156 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 156.1 | -178.3 | -26 | 35.6 | 0 | 0 | 0 | 112.1 | L84 R87 R120 G125 T130 T134 | L84-P132 CarbonylContact O-C 3.59Å; L84-P132 WeakPolarHBondContact O-CA 3.35Å; L84-P132 WeakPolarHBondContact O-CB 3.26Å; R87-P132 PolarHBondContact NH2-O 3.46Å; R120-P132 HydrophobicContact CB-CB 4.35Å; R120-P132 HydrophobicContact CG-CB 3.62Å; R120-P132 HydrophobicContact CG-CG 4.26Å; G125-P132 WeakPolarHBondContact O-CG 3.31Å; T130-P132 WeakPolarHBondContact O-CD 3.39Å; P132-T134 PolarHBondContact O-N 3.29Å |
| 133 | V | 95.3 | Very high | 83.5 | Confident | 1 Ų | 1 | 76.9 Ų | 76.9 | 1% | 0.006 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 124.1 | 175.5 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | F82 L84 R87 F90 R120 E137 | F82-V133 HydrophobicContact CE2-CB 3.98Å; F82-V133 HydrophobicContact CE2-CG1 3.82Å; F82-V133 HydrophobicContact CE2-CG2 4.11Å; F82-V133 HydrophobicContact CZ-CG1 4.22Å; L84-V133 HydrophobicContact CD2-CB 4.3Å; L84-V133 PolarHBondContact O-N 3.45Å; R87-V133 HydrophobicContact CG-CG2 4.42Å; F90-V133 HydrophobicContact CB-CG2 3.77Å; F90-V133 HydrophobicContact CD1-CG1 4.22Å; F90-V133 HydrophobicContact CD1-CG2 4.09Å; F90-V133 HydrophobicContact CD2-CG1 3.89Å; F90-V133 HydrophobicContact CD2-CG2 4.4Å; F90-V133 HydrophobicContact CE1-CG1 4.25Å; F90-V133 HydrophobicContact CE2-CG1 3.92Å; F90-V133 HydrophobicContact CG-CG1 4.03Å; F90-V133 HydrophobicContact CG-CG2 3.83Å; F90-V133 HydrophobicContact CZ-CG1 4.1Å; R120-V133 VanDerWaalsContact CD-O 3.28Å; R120-V133 WeakPolarHBondContact CD-O 3.34Å; R120-V133 PolarHBondContact NH1-O 3.01Å; V133-E137 HydrophobicContact CG1-CB 3.84Å |
| 134 | T | 95.5 | Very high | 84.6 | Confident | 66 Ų | 66 | 76.1 Ų | 76.1 | 41% | 0.405 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 156.5 | 177.9 | 63.2 | 0 | 0 | 0 | 0 | 111.5 | P132 A136 E137 G138 | P132-T134 PolarHBondContact O-N 3.29Å; T134-A136 PolarHBondContact O-N 3.02Å; T134-E137 WeakPolarHBondContact CB-OE2 3.44Å; T134-E137 WeakPolarHBondContact CG2-OE2 3.34Å; T134-E137 PolarHBondContact N-OE2 3.27Å; T134-E137 WeakPolarHBondContact O-CB 3.4Å; T134-E137 PolarHBondContact O-N 2.91Å; T134-E137 VanDerWaalsContact O-N 3.11Å; T134-E137 VanDerWaalsContact OG1-CG 3.31Å; T134-E137 WeakPolarHBondContact OG1-CG 3.43Å; T134-E137 PolarHBondContact OG1-N 3.33Å; T134-E137 PolarHBondContact OG1-OE2 3.39Å; T134-G138 PolarHBondContact O-N 3.21Å; T134-G138 VanDerWaalsContact O-N 3.1Å |
| 135 | Y | 97.4 | Very high | 85.9 | Confident | 127 Ų | 127 | 70.8 Ų | 70.8 | 50% | 0.498 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.3 | -35.3 | 174.9 | -173 | -93.8 | 0 | 0 | 0 | 112.6 | G138 C139 Y150 E152 | Y135-G138 PolarHBondContact O-N 3.04Å; Y135-C139 WeakPolarHBondContact CE1-SG 3.24Å; Y135-C139 PolarHBondContact O-N 3.16Å; Y135-C139 PolarHBondContact O-SG 2.74Å; Y135-Y150 HydrophobicContact CD2-CD1 4.24Å; Y135-Y150 AromaticContact CD2-CE1 3.67Å; Y135-Y150 HydrophobicContact CD2-CE1 3.67Å; Y135-Y150 AromaticContact CE2-CD1 3.93Å; Y135-Y150 HydrophobicContact CE2-CD1 3.93Å; Y135-Y150 AromaticContact CE2-CE1 3.81Å; Y135-Y150 HydrophobicContact CE2-CE1 3.81Å; Y135-Y150 HydrophobicContact CG-CE1 4.22Å; Y135-E152 WeakPolarHBondContact CA-OE1 3.44Å; Y135-E152 HydrophobicContact CD2-CG 4.22Å; Y135-E152 WeakPolarHBondContact CD2-OE1 3.46Å |
| 136 | A | 98.3 | Very high | 87.6 | Confident | 52 Ų | 52 | 79.1 Ų | 79.1 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68 | -37.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T134 R140 | T134-A136 PolarHBondContact O-N 3.02Å; A136-R140 WeakPolarHBondContact O-CG 3.16Å; A136-R140 PolarHBondContact O-N 2.92Å; A136-R140 VanDerWaalsContact O-N 3.13Å; A136-R140 PolarHBondContact O-NH1 3.44Å |
| 137 | E | 98.4 | Very high | 89.5 | Confident | 29 Ų | 29 | 72.6 Ų | 72.6 | 14% | 0.136 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63 | -47.7 | 172.2 | -76.4 | 165.6 | 119.8 | 0 | 0 | 111.1 | R87 F90 V133 T134 C139 R140 M141 | R87-E137 IonicContact CZ-OE1 2.63Å; R87-E137 IonicContact NH1-OE1 2.85Å; R87-E137 PolarHBondContact NH1-OE1 3.07Å; R87-E137 IonicContact NH2-OE1 3.91Å; R87-E137 PolarHBondContact NH2-OE1 2.92Å; R87-E137 IonicContact NH2-OE2 2.79Å; F90-E137 HydrophobicContact CE1-CB 4.23Å; F90-E137 HydrophobicContact CZ-CB 3.96Å; V133-E137 HydrophobicContact CG1-CB 3.84Å; T134-E137 WeakPolarHBondContact CB-OE2 3.44Å; T134-E137 WeakPolarHBondContact CG2-OE2 3.34Å; T134-E137 PolarHBondContact N-OE2 3.27Å; T134-E137 WeakPolarHBondContact O-CB 3.4Å; T134-E137 PolarHBondContact O-N 2.91Å; T134-E137 VanDerWaalsContact O-N 3.11Å; T134-E137 VanDerWaalsContact OG1-CG 3.31Å; T134-E137 WeakPolarHBondContact OG1-CG 3.43Å; T134-E137 PolarHBondContact OG1-N 3.33Å; T134-E137 PolarHBondContact OG1-OE2 3.39Å; E137-C139 VanDerWaalsContact C-N 3.34Å; E137-C139 PolarHBondContact O-N 2.98Å; E137-R140 WeakPolarHBondContact O-CB 3.4Å; E137-R140 PolarHBondContact O-N 2.83Å; E137-M141 PolarHBondContact O-N 3.46Å |
| 138 | G | 98.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T134 Y135 R140 M141 A142 | T134-G138 PolarHBondContact O-N 3.21Å; T134-G138 VanDerWaalsContact O-N 3.1Å; Y135-G138 PolarHBondContact O-N 3.04Å; G138-R140 VanDerWaalsContact C-N 3.31Å; G138-R140 PolarHBondContact O-N 2.74Å; G138-M141 PolarHBondContact O-N 2.56Å; G138-A142 WeakPolarHBondContact O-CB 3.39Å; G138-A142 PolarHBondContact O-N 2.98Å |
| 139 | C | 98.8 | Very high | 93.4 | Very high | 28 Ų | 28 | 70.1 Ų | 70.1 | 19% | 0.189 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.6 | -39.1 | 172.2 | -75.4 | 0 | 0 | 0 | 0 | 113.2 | Y135 E137 R143 | Y135-C139 WeakPolarHBondContact CE1-SG 3.24Å; Y135-C139 PolarHBondContact O-N 3.16Å; Y135-C139 PolarHBondContact O-SG 2.74Å; E137-C139 VanDerWaalsContact C-N 3.34Å; E137-C139 PolarHBondContact O-N 2.98Å; C139-R143 WeakPolarHBondContact O-CG 3.34Å; C139-R143 PolarHBondContact O-N 2.95Å |
| 140 | R | 98.8 | Very high | 95.3 | Very high | 136 Ų | 136 | 64.5 Ų | 64.5 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.2 | -46.5 | 177.7 | -74.3 | -170.6 | -62.4 | -90.4 | 9.1 | 111.2 | A136 E137 G138 A142 R143 E144 | A136-R140 WeakPolarHBondContact O-CG 3.16Å; A136-R140 PolarHBondContact O-N 2.92Å; A136-R140 VanDerWaalsContact O-N 3.13Å; A136-R140 PolarHBondContact O-NH1 3.44Å; E137-R140 WeakPolarHBondContact O-CB 3.4Å; E137-R140 PolarHBondContact O-N 2.83Å; G138-R140 VanDerWaalsContact C-N 3.31Å; G138-R140 PolarHBondContact O-N 2.74Å; R140-A142 VanDerWaalsContact C-N 3.32Å; R140-A142 PolarHBondContact O-N 3.25Å; R140-R143 PolarHBondContact O-N 2.92Å; R140-E144 PolarHBondContact O-N 3.04Å |
| 141 | M | 98.8 | Very high | 97 | Very high | 10 Ų | 10 | 63.3 Ų | 63.3 | 5% | 0.049 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.2 | -44.4 | 176.7 | -178.6 | 63.2 | 69.4 | 0 | 0 | 111.5 | F90 V93 R94 L112 E137 G138 R143 E144 I145 | F90-M141 HydrophobicContact CD1-CE 4.43Å; F90-M141 HydrophobicContact CD2-CE 4.44Å; F90-M141 HydrophobicContact CE1-CE 4Å; F90-M141 HydrophobicContact CE2-CB 3.5Å; F90-M141 VanDerWaalsContact CE2-CB 3.5Å; F90-M141 HydrophobicContact CE2-CE 4.02Å; F90-M141 HydrophobicContact CE2-CG 3.81Å; F90-M141 HydrophobicContact CZ-CB 3.64Å; F90-M141 HydrophobicContact CZ-CE 3.78Å; F90-M141 HydrophobicContact CZ-CG 4.23Å; V93-M141 HydrophobicContact CB-CG 4.28Å; V93-M141 HydrophobicContact CB-SD 4.15Å; V93-M141 HydrophobicContact CG1-CG 3.8Å; V93-M141 HydrophobicContact CG1-SD 3.89Å; R94-M141 HydrophobicContact CB-CE 4.08Å; R94-M141 HydrophobicContact CB-SD 3.88Å; L112-M141 HydrophobicContact CD2-CB 3.8Å; L112-M141 HydrophobicContact CD2-CG 3.64Å; E137-M141 PolarHBondContact O-N 3.46Å; G138-M141 PolarHBondContact O-N 2.56Å; M141-R143 VanDerWaalsContact C-N 3.31Å; M141-R143 PolarHBondContact O-N 2.77Å; M141-E144 WeakPolarHBondContact O-CB 3.46Å; M141-E144 PolarHBondContact O-N 2.86Å; M141-E144 VanDerWaalsContact O-N 3.1Å; M141-I145 WeakPolarHBondContact O-CG1 3.31Å; M141-I145 PolarHBondContact O-N 3.41Å; M141-I145 HydrophobicContact SD-CG2 3.96Å |
| 142 | A | 98.9 | Very high | 97.8 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | L112 G138 R140 K146 A147 | L112-A142 HydrophobicContact CB-CB 4.31Å; L112-A142 HydrophobicContact CD2-CB 3.94Å; G138-A142 WeakPolarHBondContact O-CB 3.39Å; G138-A142 PolarHBondContact O-N 2.98Å; R140-A142 VanDerWaalsContact C-N 3.32Å; R140-A142 PolarHBondContact O-N 3.25Å; A142-K146 CarbonylContact O-C 3.56Å; A142-K146 PolarHBondContact O-N 3.42Å; A142-K146 VanDerWaalsContact O-N 3.13Å; A142-A147 HydrophobicContact CB-CB 4.06Å; A142-A147 PolarHBondContact O-N 3.13Å |
| 143 | R | 98.6 | Very high | 98.1 | Very high | 184 Ų | 184 | 55.5 Ų | 55.5 | 69% | 0.694 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -66.5 | -41.9 | 173.3 | -66.9 | -179.4 | -142.8 | 137.4 | 1.3 | 111.9 | C139 R140 M141 K146 | C139-R143 WeakPolarHBondContact O-CG 3.34Å; C139-R143 PolarHBondContact O-N 2.95Å; R140-R143 PolarHBondContact O-N 2.92Å; M141-R143 VanDerWaalsContact C-N 3.31Å; M141-R143 PolarHBondContact O-N 2.77Å; R143-K146 PolarHBondContact O-N 3.28Å |
| 144 | E | 98.5 | Very high | 98.3 | Very high | 98 Ų | 98 | 55.4 Ų | 55.4 | 46% | 0.458 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | -179.6 | -174.2 | 172 | -175.3 | 0 | 0 | 111.9 | R94 R140 M141 K146 | R94-E144 WeakPolarHBondContact CD-OE1 3.39Å; R94-E144 IonicContact CZ-OE1 3.68Å; R94-E144 IonicContact NE-OE1 2.92Å; R94-E144 IonicContact NH1-OE1 3.31Å; R94-E144 PolarHBondContact NH1-OE1 2.94Å; R94-E144 IonicContact NH1-OE2 3.13Å; R140-E144 PolarHBondContact O-N 3.04Å; M141-E144 WeakPolarHBondContact O-CB 3.46Å; M141-E144 PolarHBondContact O-N 2.86Å; M141-E144 VanDerWaalsContact O-N 3.1Å; E144-K146 VanDerWaalsContact C-N 3.3Å; E144-K146 PolarHBondContact O-N 3.04Å |
| 145 | I | 98.1 | Very high | 98.4 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 5.8 | 178.3 | 74.6 | 177.2 | 0 | 0 | 0 | 113.6 | V93 H98 I110 L112 M141 A147 | V93-I145 HydrophobicContact CG1-CD1 3.68Å; V93-I145 HydrophobicContact CG1-CG2 4.27Å; H98-I145 HydrophobicContact CB-CB 4.12Å; H98-I145 HydrophobicContact CB-CG2 3.85Å; H98-I145 PolarHBondContact NE2-O 3.42Å; I110-I145 HydrophobicContact CG2-CD1 4.16Å; L112-I145 HydrophobicContact CB-CD1 4.39Å; L112-I145 HydrophobicContact CD1-CD1 4.2Å; M141-I145 WeakPolarHBondContact O-CG1 3.31Å; M141-I145 PolarHBondContact O-N 3.41Å; M141-I145 HydrophobicContact SD-CG2 3.96Å; I145-A147 HydrophobicContact CD1-CB 4.13Å; I145-A147 HydrophobicContact CG1-CB 3.88Å; I145-A147 PolarHBondContact O-N 3.1Å |
| 146 | K | 97.2 | Very high | 98.3 | Very high | 181 Ų | 181 | 51.2 Ų | 51.2 | 79% | 0.787 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 34.2 | -176.5 | -53.3 | 175.7 | -176.6 | 174.3 | 0 | 113.6 | A142 R143 E144 | A142-K146 CarbonylContact O-C 3.56Å; A142-K146 PolarHBondContact O-N 3.42Å; A142-K146 VanDerWaalsContact O-N 3.13Å; R143-K146 PolarHBondContact O-N 3.28Å; E144-K146 VanDerWaalsContact C-N 3.3Å; E144-K146 PolarHBondContact O-N 3.04Å |
| 147 | A | 98.5 | Very high | 98.2 | Very high | 16 Ų | 16 | 53 Ų | 53 | 13% | 0.132 | 25% | 0.251 | C | S | . | . | trans | -63.4 | 139.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | I110 L112 A142 I145 K149 | I110-A147 HydrophobicContact CB-CB 4.31Å; I110-A147 HydrophobicContact CG2-CB 4.02Å; I110-A147 CarbonylContact O-C 3.49Å; I110-A147 VanDerWaalsContact O-CA 3.26Å; I110-A147 WeakPolarHBondContact O-CA 3.47Å; I110-A147 WeakPolarHBondContact O-CB 3.36Å; L112-A147 HydrophobicContact CB-CB 4.14Å; A142-A147 HydrophobicContact CB-CB 4.06Å; A142-A147 PolarHBondContact O-N 3.13Å; I145-A147 HydrophobicContact CD1-CB 4.13Å; I145-A147 HydrophobicContact CG1-CB 3.88Å; I145-A147 PolarHBondContact O-N 3.1Å; A147-K149 PolarHBondContact O-N 3.24Å | ||
| 148 | V | 97.5 | Very high | 98.2 | Very high | 60 Ų | 60 | 55.5 Ų | 55.5 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -73.2 | -23.8 | -179.8 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | P109 I110 I111 A171 | P109-V148 HydrophobicContact CB-CG1 4.08Å; P109-V148 HydrophobicContact CB-CG2 4.27Å; I110-V148 PolarHBondContact O-N 2.63Å; I111-V148 HydrophobicContact CD1-CG2 3.39Å; V148-A171 HydrophobicContact CG2-CB 3.84Å |
| 149 | K | 98.1 | Very high | 98.2 | Very high | 99 Ų | 99 | 61.1 Ų | 61.1 | 43% | 0.43 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 153.6 | 175 | -70.9 | -66.1 | -178.1 | 153.9 | 0 | 112.2 | I111 L112 A147 E167 | I111-K149 HydrophobicContact CD1-CB 3.89Å; I111-K149 HydrophobicContact CD1-CG 4.34Å; I111-K149 HydrophobicContact CG2-CB 4.36Å; L112-K149 PolarHBondContact N-O 3.23Å; A147-K149 PolarHBondContact O-N 3.24Å; K149-E167 WeakPolarHBondContact CE-OE2 3.35Å; K149-E167 IonicContact NZ-OE2 3.14Å |
| 150 | Y | 98.8 | Very high | 98.1 | Very high | 16 Ų | 16 | 60.4 Ų | 60.4 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.2 | 161.6 | 175.4 | -125.1 | 0 | 0 | 0 | 108.7 | F82 L112 Y135 E152 | F82-Y150 AromaticContact CE1-CE2 3.82Å; F82-Y150 HydrophobicContact CE1-CE2 3.82Å; F82-Y150 AromaticContact CZ-CE2 3.84Å; F82-Y150 HydrophobicContact CZ-CE2 3.84Å; L112-Y150 HydrophobicContact CB-CD2 4.08Å; L112-Y150 HydrophobicContact CD2-CD2 3.81Å; L112-Y150 HydrophobicContact CD2-CE2 4.28Å; L112-Y150 HydrophobicContact CG-CD2 3.8Å; L112-Y150 HydrophobicContact CG-CE2 4.27Å; L112-Y150 WeakPolarHBondContact O-CA 3.46Å; L112-Y150 WeakPolarHBondContact O-CD2 3.39Å; Y135-Y150 HydrophobicContact CD2-CD1 4.24Å; Y135-Y150 AromaticContact CD2-CE1 3.67Å; Y135-Y150 HydrophobicContact CD2-CE1 3.67Å; Y135-Y150 AromaticContact CE2-CD1 3.93Å; Y135-Y150 HydrophobicContact CE2-CD1 3.93Å; Y135-Y150 AromaticContact CE2-CE1 3.81Å; Y135-Y150 HydrophobicContact CE2-CE1 3.81Å; Y135-Y150 HydrophobicContact CG-CE1 4.22Å; Y150-E152 HydrophobicContact CE1-CG 3.9Å; Y150-E152 HydrophobicContact CE2-CG 4.26Å; Y150-E152 VanDerWaalsContact OH-CD 3.29Å; Y150-E152 WeakPolarHBondContact OH-CG 3.31Å; Y150-E152 PolarHBondContact OH-OE1 3.09Å |
| 151 | L | 98.9 | Very high | 98.1 | Very high | 36 Ų | 36 | 54.2 Ų | 54.2 | 19% | 0.188 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 150 | 177.5 | -64.3 | 167.5 | 0 | 0 | 0 | 109.9 | I111 L112 V113 G114 V164 E167 | I111-L151 HydrophobicContact CG2-CD1 4.11Å; L112-L151 PolarHBondContact O-N 3.21Å; V113-L151 CarbonylContact C-O 3.49Å; V113-L151 WeakPolarHBondContact CA-O 3.19Å; G114-L151 PolarHBondContact N-O 3.44Å; L151-V164 HydrophobicContact CB-CG2 4.01Å; L151-V164 HydrophobicContact CD1-CB 4.46Å; L151-V164 HydrophobicContact CD1-CG2 4.14Å; L151-E167 HydrophobicContact CD1-CB 3.82Å; L151-E167 HydrophobicContact CD1-CG 3.89Å |
| 152 | E | 98.8 | Very high | 98 | Very high | 17 Ų | 17 | 59.1 Ų | 59.1 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 139.5 | 173.3 | -65.4 | -177.5 | 175.3 | 0 | 0 | 109.8 | L84 G114 R117 R120 Y135 Y150 | L84-E152 HydrophobicContact CD1-CB 4.18Å; L84-E152 HydrophobicContact CD1-CG 4.1Å; L84-E152 HydrophobicContact CD2-CG 4.2Å; G114-E152 CarbonylContact O-C 3.57Å; G114-E152 VanDerWaalsContact O-CA 3.24Å; G114-E152 WeakPolarHBondContact O-CA 3.25Å; R117-E152 WeakPolarHBondContact CD-OE2 3.43Å; R117-E152 IonicContact CZ-OE2 3.53Å; R117-E152 IonicContact NE-OE2 2.76Å; R117-E152 PolarHBondContact NE-OE2 3.17Å; R117-E152 VanDerWaalsContact NE-OE2 3.13Å; R120-E152 IonicContact CZ-OE1 3.57Å; R120-E152 IonicContact CZ-OE2 3.64Å; R120-E152 VanDerWaalsContact CZ-OE2 3.24Å; R120-E152 VanDerWaalsContact NH1-CD 3.26Å; R120-E152 IonicContact NH1-OE1 2.8Å; R120-E152 PolarHBondContact NH1-OE1 3.34Å; R120-E152 IonicContact NH1-OE2 3.59Å; R120-E152 PolarHBondContact NH1-OE2 2.56Å; R120-E152 VanDerWaalsContact NH1-OE2 3.14Å; R120-E152 IonicContact NH2-OE1 3.3Å; R120-E152 IonicContact NH2-OE2 3.63Å; R120-E152 PolarHBondContact NH2-OE2 3.37Å; Y135-E152 WeakPolarHBondContact CA-OE1 3.44Å; Y135-E152 HydrophobicContact CD2-CG 4.22Å; Y135-E152 WeakPolarHBondContact CD2-OE1 3.46Å; Y150-E152 HydrophobicContact CE1-CG 3.9Å; Y150-E152 HydrophobicContact CE2-CG 4.26Å; Y150-E152 VanDerWaalsContact OH-CD 3.29Å; Y150-E152 WeakPolarHBondContact OH-CG 3.31Å; Y150-E152 PolarHBondContact OH-OE1 3.09Å |
| 153 | C | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -147.2 | 165.2 | -177.6 | 65.8 | 0 | 0 | 0 | 0 | 113.1 | L19 G114 T115 K116 R117 F159 V164 | L19-C153 WeakPolarHBondContact CD1-SG 3.37Å; G114-C153 PolarHBondContact O-N 3.1Å; T115-C153 CarbonylContact C-O 3.42Å; K116-C153 PolarHBondContact N-O 3.34Å; K116-C153 VanDerWaalsContact N-O 3.16Å; R117-C153 VanDerWaalsContact CB-O 3.3Å; R117-C153 WeakPolarHBondContact CB-O 3.21Å; R117-C153 PolarHBondContact N-O 3.37Å; C153-F159 CarbonylContact C-O 3.55Å; C153-F159 WeakPolarHBondContact CA-O 3.23Å; C153-F159 WeakPolarHBondContact CB-O 3.45Å; C153-V164 HydrophobicContact CB-CG2 4.11Å | ||
| 154 | S | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -125.8 | 123.5 | 166.4 | 176.5 | 0 | 0 | 0 | 0 | 109 | D118 L156 T157 Q158 F159 | D118-S154 WeakPolarHBondContact OD1-CB 3.43Å; D118-S154 PolarHBondContact OD1-OG 2.87Å; S154-L156 VanDerWaalsContact C-N 3.25Å; S154-L156 PolarHBondContact OG-N 2.94Å; S154-T157 VanDerWaalsContact CB-OG1 3.23Å; S154-T157 WeakPolarHBondContact CB-OG1 3.22Å; S154-T157 PolarHBondContact OG-N 3.4Å; S154-T157 VanDerWaalsContact OG-N 3.1Å; S154-T157 PolarHBondContact OG-OG1 3.47Å; S154-Q158 CarbonylContact O-C 3.49Å; S154-Q158 WeakPolarHBondContact O-CA 3.12Å; S154-Q158 PolarHBondContact O-N 3.26Å; S154-F159 PolarHBondContact N-O 3.05Å; S154-F159 PolarHBondContact O-N 3.03Å | ||
| 155 | A | 98.1 | Very high | 98 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 8% | 0.083 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -27.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C18 S22 F28 | C18-A155 HydrophobicContact CB-CB 3.84Å; C18-A155 WeakPolarHBondContact O-CB 3.41Å; S22-A155 WeakPolarHBondContact CB-O 3.44Å; S22-A155 PolarHBondContact OG-O 3.47Å; F28-A155 HydrophobicContact CD2-CB 4.03Å; F28-A155 HydrophobicContact CE2-CB 3.97Å |
| 156 | L | 96 | Very high | 98 | Very high | 95 Ų | 95 | 50 Ų | 50 | 50% | 0.497 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -49.5 | -178.5 | 177 | 63.1 | 0 | 0 | 0 | 111.5 | F28 S154 | F28-L156 HydrophobicContact CB-CD1 4.22Å; F28-L156 HydrophobicContact CD1-CD1 3.82Å; F28-L156 VanDerWaalsContact CD2-CA 3.48Å; F28-L156 HydrophobicContact CD2-CB 4Å; F28-L156 HydrophobicContact CD2-CD1 4.27Å; F28-L156 HydrophobicContact CE1-CD1 4.22Å; F28-L156 HydrophobicContact CE2-CB 4.01Å; F28-L156 HydrophobicContact CG-CB 4.42Å; F28-L156 HydrophobicContact CG-CD1 3.83Å; F28-L156 HydrophobicContact CZ-CB 4.47Å; S154-L156 VanDerWaalsContact C-N 3.25Å; S154-L156 PolarHBondContact OG-N 2.94Å |
| 157 | T | 96.5 | Very high | 98 | Very high | 88 Ų | 88 | 43.1 Ų | 43.1 | 54% | 0.54 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -3.1 | -179.4 | 68.5 | 0 | 0 | 0 | 0 | 113.2 | D118 S154 F159 | D118-T157 HydrophobicContact CB-CG2 4.05Å; S154-T157 VanDerWaalsContact CB-OG1 3.23Å; S154-T157 WeakPolarHBondContact CB-OG1 3.22Å; S154-T157 PolarHBondContact OG-N 3.4Å; S154-T157 VanDerWaalsContact OG-N 3.1Å; S154-T157 PolarHBondContact OG-OG1 3.47Å; T157-F159 PolarHBondContact O-N 3.3Å; T157-F159 VanDerWaalsContact O-N 3.09Å; T157-F159 WeakPolarHBondContact OG1-CB 3.09Å; T157-F159 PolarHBondContact OG1-N 3.44Å |
| 158 | Q | 97.2 | Very high | 98 | Very high | 82 Ų | 82 | 42.4 Ų | 42.4 | 38% | 0.383 | 22% | 0.215 | S | C | . | . | trans | 60.1 | 9.2 | -172.7 | -60.7 | 179.4 | -18.3 | 0 | 0 | 114.9 | S22 N26 S154 G160 L161 | S22-Q158 WeakPolarHBondContact OG-CG 3.46Å; N26-Q158 PolarHBondContact O-NE2 2.81Å; S154-Q158 CarbonylContact O-C 3.49Å; S154-Q158 WeakPolarHBondContact O-CA 3.12Å; S154-Q158 PolarHBondContact O-N 3.26Å; Q158-G160 PolarHBondContact O-N 2.75Å; Q158-L161 HydrophobicContact CB-CB 4.47Å; Q158-L161 HydrophobicContact CB-CD2 4.22Å; Q158-L161 HydrophobicContact CG-CD2 3.98Å; Q158-L161 VanDerWaalsContact O-CB 3.31Å; Q158-L161 WeakPolarHBondContact O-CB 3.3Å; Q158-L161 PolarHBondContact O-N 2.85Å | ||
| 159 | F | 98.2 | Very high | 98 | Very high | 118 Ų | 118 | 39.5 Ų | 39.5 | 52% | 0.518 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 128.3 | 174.2 | 176.4 | -90.2 | 0 | 0 | 0 | 110.8 | R117 C153 S154 T157 L161 | R117-F159 HydrophobicContact CB-CD1 4.45Å; R117-F159 HydrophobicContact CG-CD1 3.98Å; R117-F159 HydrophobicContact CG-CE1 4.18Å; C153-F159 CarbonylContact C-O 3.55Å; C153-F159 WeakPolarHBondContact CA-O 3.23Å; C153-F159 WeakPolarHBondContact CB-O 3.45Å; S154-F159 PolarHBondContact N-O 3.05Å; S154-F159 PolarHBondContact O-N 3.03Å; T157-F159 PolarHBondContact O-N 3.3Å; T157-F159 VanDerWaalsContact O-N 3.09Å; T157-F159 WeakPolarHBondContact OG1-CB 3.09Å; T157-F159 PolarHBondContact OG1-N 3.44Å; F159-L161 PolarHBondContact O-N 2.71Å |
| 160 | G | 98.2 | Very high | 97.9 | Very high | 13 Ų | 13 | 38 Ų | 38 | 13% | 0.134 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 2.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q158 D163 V164 | Q158-G160 PolarHBondContact O-N 2.75Å; G160-D163 PolarHBondContact O-N 2.85Å; G160-V164 WeakPolarHBondContact O-CG2 3.46Å; G160-V164 PolarHBondContact O-N 2.71Å |
| 161 | L | 98 | Very high | 97.8 | Very high | 7 Ų | 7 | 38.1 Ų | 38.1 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.7 | -48.9 | -171.4 | -176.7 | 62.6 | 0 | 0 | 0 | 111.8 | L19 S22 Y23 Q158 F159 D163 V164 F165 | L19-L161 HydrophobicContact CD1-CD1 3.3Å; L19-L161 HydrophobicContact CG-CD1 3.85Å; S22-L161 WeakPolarHBondContact OG-CD2 3.37Å; Y23-L161 HydrophobicContact CD2-CG 4.39Å; Q158-L161 HydrophobicContact CB-CB 4.47Å; Q158-L161 HydrophobicContact CB-CD2 4.22Å; Q158-L161 HydrophobicContact CG-CD2 3.98Å; Q158-L161 VanDerWaalsContact O-CB 3.31Å; Q158-L161 WeakPolarHBondContact O-CB 3.3Å; Q158-L161 PolarHBondContact O-N 2.85Å; F159-L161 PolarHBondContact O-N 2.71Å; L161-D163 VanDerWaalsContact C-N 3.31Å; L161-D163 PolarHBondContact O-N 3.1Å; L161-V164 PolarHBondContact O-N 3.14Å; L161-F165 HydrophobicContact CD1-CE2 3.89Å; L161-F165 HydrophobicContact CG-CE2 4.43Å; L161-F165 VanDerWaalsContact O-CD2 3.23Å; L161-F165 WeakPolarHBondContact O-CD2 3.28Å |
| 162 | K | 96.8 | Very high | 97.7 | Very high | 113 Ų | 113 | 37.8 Ų | 37.8 | 49% | 0.491 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.9 | -40.7 | 177.4 | -170.8 | -174 | -174.4 | -53.6 | 0 | 111.7 | V164 F165 D166 | K162-V164 VanDerWaalsContact C-N 3.28Å; K162-V164 PolarHBondContact O-N 3.13Å; K162-F165 PolarHBondContact O-N 3.4Å; K162-D166 IonicContact NZ-OD1 3.76Å; K162-D166 PolarHBondContact NZ-OD1 2.76Å; K162-D166 IonicContact NZ-OD2 2.81Å; K162-D166 PolarHBondContact NZ-OD2 2.63Å; K162-D166 WeakPolarHBondContact O-CB 3.2Å; K162-D166 PolarHBondContact O-N 3.11Å |
| 163 | D | 98.4 | Very high | 97.4 | Very high | 86 Ų | 86 | 38 Ų | 38 | 46% | 0.46 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.7 | -36.6 | -177.6 | -60 | -40.1 | 0 | 0 | 0 | 111.9 | G160 L161 F165 E167 | G160-D163 PolarHBondContact O-N 2.85Å; L161-D163 VanDerWaalsContact C-N 3.31Å; L161-D163 PolarHBondContact O-N 3.1Å; D163-F165 PolarHBondContact O-N 2.8Å; D163-E167 VanDerWaalsContact O-CB 3.32Å; D163-E167 WeakPolarHBondContact O-CB 3.47Å; D163-E167 VanDerWaalsContact O-CG 3.3Å; D163-E167 WeakPolarHBondContact O-CG 3.45Å; D163-E167 PolarHBondContact O-N 3.3Å |
| 164 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.3 | -49 | 174.9 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | L19 L79 V113 L151 C153 G160 L161 K162 A168 | L19-V164 HydrophobicContact CD2-CG1 4.46Å; L79-V164 HydrophobicContact CD1-CG1 3.71Å; L79-V164 HydrophobicContact CD2-CG1 3.92Å; L79-V164 HydrophobicContact CG-CG1 4.47Å; V113-V164 HydrophobicContact CG1-CG1 4.37Å; V113-V164 HydrophobicContact CG1-CG2 3.98Å; V113-V164 HydrophobicContact CG2-CG1 3.82Å; V113-V164 HydrophobicContact CG2-CG2 4.4Å; L151-V164 HydrophobicContact CB-CG2 4.01Å; L151-V164 HydrophobicContact CD1-CB 4.46Å; L151-V164 HydrophobicContact CD1-CG2 4.14Å; C153-V164 HydrophobicContact CB-CG2 4.11Å; G160-V164 WeakPolarHBondContact O-CG2 3.46Å; G160-V164 PolarHBondContact O-N 2.71Å; L161-V164 PolarHBondContact O-N 3.14Å; K162-V164 VanDerWaalsContact C-N 3.28Å; K162-V164 PolarHBondContact O-N 3.13Å; V164-A168 WeakPolarHBondContact O-CB 3.47Å; V164-A168 PolarHBondContact O-N 2.74Å; V164-A168 VanDerWaalsContact O-N 3.07Å |
| 165 | F | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -79 | -35.4 | -177.1 | -62.8 | -76.8 | 0 | 0 | 0 | 112.7 | L19 L20 Y23 L53 L55 L79 L161 K162 D163 A168 I169 | L19-F165 HydrophobicContact CD2-CE2 4.48Å; L19-F165 HydrophobicContact CD2-CZ 3.96Å; L19-F165 HydrophobicContact CG-CE2 4.15Å; L19-F165 HydrophobicContact CG-CZ 3.93Å; L20-F165 HydrophobicContact CD2-CE1 3.89Å; L20-F165 HydrophobicContact CD2-CZ 3.92Å; Y23-F165 VanDerWaalsContact CB-CE2 3.45Å; Y23-F165 HydrophobicContact CD1-CD1 4.27Å; Y23-F165 AromaticContact CD1-CD2 3.74Å; Y23-F165 HydrophobicContact CD1-CD2 3.74Å; Y23-F165 HydrophobicContact CD1-CE1 4.33Å; Y23-F165 AromaticContact CD1-CE2 3.83Å; Y23-F165 HydrophobicContact CD1-CE2 3.83Å; Y23-F165 AromaticContact CD1-CG 3.98Å; Y23-F165 HydrophobicContact CD1-CG 3.98Å; Y23-F165 HydrophobicContact CD1-CZ 4.12Å; Y23-F165 AromaticContact CD2-CD2 3.28Å; Y23-F165 HydrophobicContact CD2-CD2 3.28Å; Y23-F165 AromaticContact CD2-CE2 3.69Å; Y23-F165 HydrophobicContact CD2-CE2 3.69Å; Y23-F165 HydrophobicContact CD2-CG 4.08Å; Y23-F165 HydrophobicContact CE1-CB 4.08Å; Y23-F165 HydrophobicContact CE1-CD1 4.2Å; Y23-F165 AromaticContact CE1-CD2 3.95Å; Y23-F165 HydrophobicContact CE1-CD2 3.95Å; Y23-F165 HydrophobicContact CE1-CE2 4.47Å; Y23-F165 AromaticContact CE1-CG 3.8Å; Y23-F165 HydrophobicContact CE1-CG 3.8Å; Y23-F165 HydrophobicContact CE2-CB 3.86Å; Y23-F165 AromaticContact CE2-CD2 3.5Å; Y23-F165 HydrophobicContact CE2-CD2 3.5Å; Y23-F165 HydrophobicContact CE2-CE2 4.34Å; Y23-F165 AromaticContact CE2-CG 3.89Å; Y23-F165 HydrophobicContact CE2-CG 3.89Å; Y23-F165 AromaticContact CG-CD2 3.39Å; Y23-F165 HydrophobicContact CG-CD2 3.39Å; Y23-F165 AromaticContact CG-CE2 3.37Å; Y23-F165 HydrophobicContact CG-CE2 3.37Å; Y23-F165 HydrophobicContact CG-CG 4.09Å; Y23-F165 HydrophobicContact CG-CZ 4.04Å; Y23-F165 AromaticContact CZ-CD2 3.81Å; Y23-F165 AromaticContact CZ-CG 3.72Å; L53-F165 HydrophobicContact CD2-CB 4.25Å; L53-F165 HydrophobicContact CD2-CD1 3.95Å; L53-F165 HydrophobicContact CD2-CG 4.45Å; L55-F165 HydrophobicContact CD1-CE1 4.39Å; L55-F165 HydrophobicContact CD2-CD1 3.89Å; L55-F165 HydrophobicContact CD2-CE1 3.63Å; L79-F165 HydrophobicContact CD1-CD1 4.26Å; L79-F165 HydrophobicContact CD1-CE1 3.79Å; L79-F165 HydrophobicContact CD1-CZ 4.35Å; L161-F165 HydrophobicContact CD1-CE2 3.89Å; L161-F165 HydrophobicContact CG-CE2 4.43Å; L161-F165 VanDerWaalsContact O-CD2 3.23Å; L161-F165 WeakPolarHBondContact O-CD2 3.28Å; K162-F165 PolarHBondContact O-N 3.4Å; D163-F165 PolarHBondContact O-N 2.8Å; F165-A168 PolarHBondContact O-N 3.18Å; F165-I169 WeakPolarHBondContact O-CB 3.45Å; F165-I169 VanDerWaalsContact O-CG1 3.3Å; F165-I169 WeakPolarHBondContact O-CG1 3.42Å; F165-I169 PolarHBondContact O-N 3.22Å |
| 166 | D | 97.7 | Very high | 93.9 | Very high | 13 Ų | 13 | 51.4 Ų | 51.4 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 172.7 | -83 | 18.3 | 0 | 0 | 0 | 110.9 | K162 I169 R170 | K162-D166 IonicContact NZ-OD1 3.76Å; K162-D166 PolarHBondContact NZ-OD1 2.76Å; K162-D166 IonicContact NZ-OD2 2.81Å; K162-D166 PolarHBondContact NZ-OD2 2.63Å; K162-D166 WeakPolarHBondContact O-CB 3.2Å; K162-D166 PolarHBondContact O-N 3.11Å; D166-I169 PolarHBondContact O-N 2.73Å; D166-R170 WeakPolarHBondContact O-CG 3.38Å; D166-R170 PolarHBondContact O-N 3.35Å; D166-R170 IonicContact OD2-NH2 2.71Å |
| 167 | E | 98.1 | Very high | 92 | Very high | 37 Ų | 37 | 50.7 Ų | 50.7 | 17% | 0.173 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.6 | -34.7 | 178.8 | -70.2 | -63.8 | 120.6 | 0 | 0 | 112.4 | K149 L151 D163 I169 R170 A171 | K149-E167 WeakPolarHBondContact CE-OE2 3.35Å; K149-E167 IonicContact NZ-OE2 3.14Å; L151-E167 HydrophobicContact CD1-CB 3.82Å; L151-E167 HydrophobicContact CD1-CG 3.89Å; D163-E167 VanDerWaalsContact O-CB 3.32Å; D163-E167 WeakPolarHBondContact O-CB 3.47Å; D163-E167 VanDerWaalsContact O-CG 3.3Å; D163-E167 WeakPolarHBondContact O-CG 3.45Å; D163-E167 PolarHBondContact O-N 3.3Å; E167-I169 VanDerWaalsContact C-N 3.34Å; E167-R170 PolarHBondContact O-N 3.04Å; E167-R170 WeakPolarHBondContact OE1-CD 3.4Å; E167-R170 IonicContact OE1-CZ 3.91Å; E167-R170 IonicContact OE1-NE 2.71Å; E167-R170 IonicContact OE1-NH1 3.24Å; E167-R170 PolarHBondContact OE1-NH1 2.8Å; E167-A171 WeakPolarHBondContact O-CB 3.48Å; E167-A171 PolarHBondContact O-N 2.93Å |
| 168 | A | 98.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V77 L79 I111 V164 F165 A171 | V77-A168 HydrophobicContact CG1-CB 4.14Å; V77-A168 HydrophobicContact CG2-CB 4.07Å; L79-A168 HydrophobicContact CD2-CB 3.94Å; I111-A168 HydrophobicContact CG1-CB 4.14Å; V164-A168 WeakPolarHBondContact O-CB 3.47Å; V164-A168 PolarHBondContact O-N 2.74Å; V164-A168 VanDerWaalsContact O-N 3.07Å; F165-A168 PolarHBondContact O-N 3.18Å; A168-A171 PolarHBondContact O-N 2.95Å |
| 169 | I | 97.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.6 | -45.2 | 175.3 | -71.5 | 165.8 | 0 | 0 | 0 | 110.9 | I4 V44 V46 V51 L53 F165 D166 E167 A171 V172 L173 | I4-I169 HydrophobicContact CD1-CB 4.45Å; I4-I169 HydrophobicContact CD1-CG1 4.36Å; I4-I169 HydrophobicContact CD1-CG2 4Å; V44-I169 HydrophobicContact CG2-CD1 3.4Å; V44-I169 VanDerWaalsContact CG2-CD1 3.4Å; V46-I169 HydrophobicContact CB-CG2 3.84Å; V46-I169 HydrophobicContact CG1-CG2 4.05Å; V46-I169 HydrophobicContact CG2-CB 4.16Å; V46-I169 HydrophobicContact CG2-CD1 3.61Å; V46-I169 HydrophobicContact CG2-CG1 4.5Å; V46-I169 HydrophobicContact CG2-CG2 3.91Å; V51-I169 HydrophobicContact CG1-CD1 4.28Å; V51-I169 HydrophobicContact CG1-CG1 4.35Å; V51-I169 HydrophobicContact CG1-CG2 4.49Å; V51-I169 HydrophobicContact CG2-CG2 3.92Å; L53-I169 HydrophobicContact CB-CD1 4.46Å; L53-I169 HydrophobicContact CD1-CD1 4.42Å; L53-I169 HydrophobicContact CD1-CG1 4.07Å; L53-I169 HydrophobicContact CD2-CD1 4.08Å; L53-I169 HydrophobicContact CD2-CG1 4.47Å; F165-I169 WeakPolarHBondContact O-CB 3.45Å; F165-I169 VanDerWaalsContact O-CG1 3.3Å; F165-I169 WeakPolarHBondContact O-CG1 3.42Å; F165-I169 PolarHBondContact O-N 3.22Å; D166-I169 PolarHBondContact O-N 2.73Å; E167-I169 VanDerWaalsContact C-N 3.34Å; I169-A171 VanDerWaalsContact C-N 3.28Å; I169-A171 PolarHBondContact O-N 3.35Å; I169-V172 PolarHBondContact O-N 3.3Å; I169-V172 VanDerWaalsContact O-N 3.14Å; I169-L173 HydrophobicContact CG2-CD1 3.55Å; I169-L173 HydrophobicContact CG2-CG 3.97Å; I169-L173 WeakPolarHBondContact O-CG 3.12Å; I169-L173 PolarHBondContact O-N 3.2Å |
| 170 | R | 96.9 | Very high | 85 | Confident | 67 Ų | 67 | 61 Ų | 61 | 25% | 0.253 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.2 | -38 | 177.7 | -75.8 | 179.7 | -174.2 | 117.8 | 11.4 | 112.2 | V46 D47 D166 E167 V172 L173 M174 | V46-R170 HydrophobicContact CG1-CG 3.97Å; D47-R170 IonicContact OD1-CZ 3.92Å; D47-R170 IonicContact OD1-NE 3.73Å; D47-R170 PolarHBondContact OD1-NE 2.98Å; D47-R170 IonicContact OD1-NH2 2.95Å; D47-R170 PolarHBondContact OD1-NH2 3.06Å; D47-R170 IonicContact OD2-CZ 3.93Å; D47-R170 IonicContact OD2-NE 3.53Å; D47-R170 PolarHBondContact OD2-NE 3.3Å; D47-R170 IonicContact OD2-NH2 3.79Å; D166-R170 WeakPolarHBondContact O-CG 3.38Å; D166-R170 PolarHBondContact O-N 3.35Å; D166-R170 IonicContact OD2-NH2 2.71Å; E167-R170 PolarHBondContact O-N 3.04Å; E167-R170 WeakPolarHBondContact OE1-CD 3.4Å; E167-R170 IonicContact OE1-CZ 3.91Å; E167-R170 IonicContact OE1-NE 2.71Å; E167-R170 IonicContact OE1-NH1 3.24Å; E167-R170 PolarHBondContact OE1-NH1 2.8Å; R170-V172 PolarHBondContact O-N 3.45Å; R170-L173 PolarHBondContact O-N 3.44Å; R170-M174 WeakPolarHBondContact O-CA 3.47Å; R170-M174 PolarHBondContact O-N 2.91Å |
| 171 | A | 96.5 | Very high | 82.5 | Confident | 19 Ų | 19 | 69.5 Ų | 69.5 | 16% | 0.157 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.3 | -32.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P109 I111 V148 E167 A168 I169 | P109-A171 HydrophobicContact CB-CB 3.96Å; P109-A171 HydrophobicContact CG-CB 4.05Å; I111-A171 HydrophobicContact CD1-CB 4.26Å; V148-A171 HydrophobicContact CG2-CB 3.84Å; E167-A171 WeakPolarHBondContact O-CB 3.48Å; E167-A171 PolarHBondContact O-N 2.93Å; A168-A171 PolarHBondContact O-N 2.95Å; I169-A171 VanDerWaalsContact C-N 3.28Å; I169-A171 PolarHBondContact O-N 3.35Å |
| 172 | V | 96 | Very high | 79.9 | Confident | 29 Ų | 29 | 78.7 Ų | 78.7 | 18% | 0.176 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -85 | -44.3 | 176.8 | -179.4 | 0 | 0 | 0 | 0 | 111.6 | I4 D76 V77 P109 I169 R170 | I4-V172 HydrophobicContact CD1-CB 4.01Å; I4-V172 HydrophobicContact CD1-CG1 4.01Å; I4-V172 HydrophobicContact CG1-CG1 4.2Å; I4-V172 HydrophobicContact CG2-CG2 4.05Å; D76-V172 HydrophobicContact CB-CG1 4.1Å; D76-V172 HydrophobicContact CB-CG2 3.9Å; D76-V172 WeakPolarHBondContact O-CG2 3.41Å; V77-V172 HydrophobicContact CB-CG2 3.76Å; V77-V172 HydrophobicContact CG1-CG2 4.01Å; P109-V172 HydrophobicContact CG-CG2 4.46Å; I169-V172 PolarHBondContact O-N 3.3Å; I169-V172 VanDerWaalsContact O-N 3.14Å; R170-V172 PolarHBondContact O-N 3.45Å |
| 173 | L | 92.9 | Very high | 77.2 | Confident | 21 Ų | 21 | 78.2 Ų | 78.2 | 11% | 0.11 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -76.6 | -27.9 | -174 | -65.4 | -173.5 | 0 | 0 | 0 | 114 | I4 K49 V51 I169 R170 | I4-L173 HydrophobicContact CD1-CD2 3.97Å; I4-L173 HydrophobicContact CD1-CG 4.08Å; K49-L173 HydrophobicContact CB-CD1 4.32Å; K49-L173 HydrophobicContact CD-CD1 4.06Å; V51-L173 HydrophobicContact CG2-CD1 3.9Å; I169-L173 HydrophobicContact CG2-CD1 3.55Å; I169-L173 HydrophobicContact CG2-CG 3.97Å; I169-L173 WeakPolarHBondContact O-CG 3.12Å; I169-L173 PolarHBondContact O-N 3.2Å; R170-L173 PolarHBondContact O-N 3.44Å |
| 174 | M | 84.7 | Confident | 74.4 | Confident | 82 Ų | 82 | 77.8 Ų | 77.8 | 40% | 0.404 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -135.7 | 64.4 | -174.2 | -55.1 | -167.8 | -155.6 | 0 | 0 | 110.6 | D47 R170 E176 | D47-M174 HydrophobicContact CB-CE 3.94Å; D47-M174 WeakPolarHBondContact OD2-CE 3.46Å; R170-M174 WeakPolarHBondContact O-CA 3.47Å; R170-M174 PolarHBondContact O-N 2.91Å; M174-E176 PolarHBondContact O-N 3.33Å |
| 175 | P | 71.8 | Confident | 71.4 | Confident | 65 Ų | 65 | 83.7 Ų | 83.7 | 42% | 0.422 | 44% | 0.443 | S | S | . | . | trans | -56.9 | 142.9 | 178 | 23.9 | -33.1 | 0 | 0 | 0 | 110.5 | G177 K178 | P175-G177 PolarHBondContact O-N 2.64Å; P175-K178 PolarHBondContact O-N 3.16Å; P175-K178 VanDerWaalsContact O-N 3.11Å | ||
| 176 | E | 64.4 | Low | 68.6 | Low | 145 Ų | 145 | 91.3 Ų | 91.3 | 68% | 0.678 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 124.7 | 179.7 | -63.9 | -148.3 | 124.3 | 0 | 0 | 110 | M174 K179 | M174-E176 PolarHBondContact O-N 3.33Å; E176-K179 IonicContact OE1-NZ 3.88Å; E176-K179 PolarHBondContact OE1-NZ 3.07Å |
| 177 | G | 56 | Low | 65.7 | Low | 79 Ų | 79 | 98.3 Ų | 98.3 | 81% | 0.814 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 124.4 | -25.3 | -165.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P175 | P175-G177 PolarHBondContact O-N 2.64Š|
| 178 | K | 49.8 | Very low | 63.3 | Low | 155 Ų | 155 | 107.8 Ų | 107.8 | 67% | 0.674 | 57% | 0.565 | S | S | * | * | trans | -102.7 | 8.8 | 174 | -70.9 | -168.7 | -178 | 178.7 | 0 | 115.2 | P175 K180 | P175-K178 PolarHBondContact O-N 3.16Å; P175-K178 VanDerWaalsContact O-N 3.11Å; K178-K180 PolarHBondContact O-N 3.41Å | ||
| 179 | K | 49.8 | Very low | 61.5 | Low | 155 Ų | 155 | 113.2 Ų | 113.2 | 67% | 0.674 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -54.4 | 110.7 | 168.4 | -74.2 | 179.9 | -174.5 | 157.5 | 0 | 106.2 | E176 K181 | E176-K179 IonicContact OE1-NZ 3.88Å; E176-K179 PolarHBondContact OE1-NZ 3.07Å; K179-K181 PolarHBondContact O-N 3.06Å |
| 180 | K | 46.1 | Very low | 59.6 | Low | 194 Ų | 194 | 119.1 Ų | 119.1 | 84% | 0.843 | 62% | 0.624 | S | S | * | * | trans | -50.2 | 112.1 | 178.7 | -73.5 | -177.1 | 176.5 | -177.8 | 0 | 105.8 | K178 H182 | K178-K180 PolarHBondContact O-N 3.41Å; K180-H182 PolarHBondContact O-N 2.96Å | ||
| 181 | K | 44.8 | Very low | 57.5 | Low | 192 Ų | 192 | 122 Ų | 122 | 84% | 0.835 | 65% | 0.645 | S | S | * | * | trans | -51.6 | 116.8 | 157.9 | -74.2 | -176.1 | 174.8 | 179.8 | 0 | 103.6 | K179 S183 | K179-K181 PolarHBondContact O-N 3.06Å; K181-S183 PolarHBondContact O-N 2.94Å | ||
| 182 | H | 43 | Very low | 55.3 | Low | 200 Ų | 200 | 128.1 Ų | 128.1 | 93% | 0.926 | 67% | 0.674 | S | S | * | * | trans | -58.6 | 93.2 | 168.6 | -105.1 | -90.9 | 0 | 0 | 0 | 105.7 | K180 | K180-H182 PolarHBondContact O-N 2.96Š| ||
| 183 | S | 41.3 | Very low | 52.7 | Low | 103 Ų | 103 | 134.3 Ų | 134.3 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | trans | -89.6 | 134.2 | 172.5 | 55 | 0 | 0 | 0 | 0 | 107.7 | K181 | K181-S183 PolarHBondContact O-N 2.94Š| ||
| 184 | S | 39.5 | Very low | 50 | Low | 78 Ų | 78 | 141.8 Ų | 141.8 | 55% | 0.545 | 74% | 0.744 | S | S | . | * | trans | 78.3 | 92.4 | 167.8 | -163.3 | 0 | 0 | 0 | 0 | 115.7 | E186 | S184-E186 WeakPolarHBondContact OG-CG 3.45Å; S184-E186 PolarHBondContact OG-N 3.34Å; S184-E186 PolarHBondContact OG-OE1 2.9Å | ||
| 185 | C | 35.5 | Very low | 47.5 | Very low | 124 Ų | 124 | 146.1 Ų | 146.1 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | trans | -92.3 | 87.6 | 138.3 | -158.3 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 186 | E | 38.7 | Very low | 45.7 | Very low | 160 Ų | 160 | 152.3 Ų | 152.3 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -73.5 | 115.5 | 161.5 | -90.5 | 155.3 | -131.6 | 0 | 0 | 107.3 | S184 | S184-E186 WeakPolarHBondContact OG-CG 3.45Å; S184-E186 PolarHBondContact OG-N 3.34Å; S184-E186 PolarHBondContact OG-OE1 2.9Å | ||
| 187 | L | 38.6 | Very low | 44.1 | Very low | 159 Ų | 159 | 152.9 Ų | 152.9 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -115.9 | 112.2 | 155.6 | -77.7 | 167.5 | 0 | 0 | 0 | 105.8 | ||||
| 188 | I | 46.4 | Very low | 43 | Very low | 236 Ų | 236 | 159.6 Ų | 159.6 | 100% | 1.21 | 80% | 0.804 | S | S | * | * | trans | -58.6 | 0 | 165.9 | -63 | 168.9 | 0 | 0 | 0 | 108.8 |
Retrieved 188 of 188 residues in 103.6 ms
(Link to these results)