| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 89.3 | Confident | 97.2 | Very high | 138 Ų | 138 | 33.9 Ų | 33.9 | 68% | 0.68 | 17% | 0.17 | S | C | * | . | 0 | 126.8 | 0 | 178 | 171.5 | 65.5 | 0 | 0 | 107.4 | Q43 I50 L52 | M1-Q43 HydrophobicContact SD-CG 3.94Å; M1-Q43 PolarHBondContact SD-NE2 3.4Å; M1-Q43 VanDerWaalsContact SD-NE2 3.44Å; M1-I50 HydrophobicContact CG-CG2 4.3Å; M1-I50 WeakPolarHBondContact CG-O 3.29Å; M1-I50 HydrophobicContact SD-CG2 3.83Å; M1-L52 HydrophobicContact CE-CB 3.77Å; M1-L52 HydrophobicContact CE-CD2 4.38Å; M1-L52 HydrophobicContact CE-CG 4.5Å; M1-L52 HydrophobicContact CG-CB 4.47Å; M1-L52 HydrophobicContact SD-CB 4.13Å | |||
| 2 | T | 96.7 | Very high | 97 | Very high | 50 Ų | 50 | 33.5 Ų | 33.5 | 31% | 0.307 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 131.1 | 178.9 | -51.9 | 0 | 0 | 0 | 0 | 109.5 | Y4 E49 C51 L52 | T2-Y4 HydrophobicContact CG2-CD2 4.49Å; T2-Y4 HydrophobicContact CG2-CE1 3.99Å; T2-Y4 HydrophobicContact CG2-CE2 3.9Å; T2-E49 PolarHBondContact OG1-OE1 3.48Å; T2-C51 CarbonylContact O-C 3.59Å; T2-C51 VanDerWaalsContact O-CA 3.31Å; T2-C51 WeakPolarHBondContact O-CA 3.32Å; T2-C51 WeakPolarHBondContact O-CB 3.49Å; T2-L52 PolarHBondContact O-N 3.45Å |
| 3 | E | 98.4 | Very high | 96.7 | Very high | 69 Ų | 69 | 32.8 Ų | 32.8 | 32% | 0.322 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 138.4 | 170.2 | -175.4 | 177.3 | -157.2 | 0 | 0 | 109.4 | R41 L52 D54 | E3-R41 IonicContact OE1-CZ 3.6Å; E3-R41 IonicContact OE1-NH1 3.66Å; E3-R41 IonicContact OE1-NH2 3.36Å; E3-R41 PolarHBondContact OE1-NH2 3.26Å; E3-L52 CarbonylContact C-O 3.55Å; E3-L52 WeakPolarHBondContact CA-O 3.37Å; E3-L52 HydrophobicContact CB-CB 4.44Å; E3-L52 HydrophobicContact CG-CB 4.45Å; E3-L52 HydrophobicContact CG-CD2 4.14Å; E3-L52 HydrophobicContact CG-CG 4.41Å; E3-D54 HydrophobicContact CG-CB 4.21Å |
| 4 | Y | 98.7 | Very high | 96.8 | Very high | 8 Ų | 8 | 30.5 Ų | 30.5 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 119.5 | 175.9 | -65.3 | -75.5 | 0 | 0 | 0 | 109.8 | T2 L6 C51 L52 L53 D54 E76 V160 I163 R164 | T2-Y4 HydrophobicContact CG2-CD2 4.49Å; T2-Y4 HydrophobicContact CG2-CE1 3.99Å; T2-Y4 HydrophobicContact CG2-CE2 3.9Å; Y4-L6 PolarHBondContact O-N 3.41Å; Y4-C51 HydrophobicContact CD2-CB 3.79Å; Y4-C51 HydrophobicContact CE2-CB 3.56Å; Y4-L52 PolarHBondContact N-O 3.09Å; Y4-L53 HydrophobicContact CD2-CD2 4.23Å; Y4-D54 PolarHBondContact O-N 3.39Å; Y4-E76 WeakPolarHBondContact CA-OE2 3.46Å; Y4-V160 HydrophobicContact CD1-CG1 4.49Å; Y4-V160 HydrophobicContact CD2-CG1 3.88Å; Y4-V160 HydrophobicContact CD2-CG2 4.15Å; Y4-V160 HydrophobicContact CE1-CG1 4.25Å; Y4-V160 HydrophobicContact CE2-CG1 3.6Å; Y4-V160 HydrophobicContact CG-CG1 4.32Å; Y4-V160 HydrophobicContact CG-CG2 4.24Å; Y4-I163 HydrophobicContact CD1-CB 4.22Å; Y4-I163 HydrophobicContact CD1-CD1 4.2Å; Y4-I163 HydrophobicContact CD1-CG2 3.78Å; Y4-I163 HydrophobicContact CE1-CB 4.4Å; Y4-I163 HydrophobicContact CE1-CG2 3.96Å; Y4-R164 HydrophobicContact CE1-CG 4.24Å; Y4-R164 WeakPolarHBondContact OH-CG 3.43Å; Y4-R164 PolarHBondContact OH-NE 3.49Å |
| 5 | K | 98.7 | Very high | 96.8 | Very high | 90 Ų | 90 | 29.4 Ų | 29.4 | 39% | 0.391 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 104.4 | 177.1 | -62.8 | -175.8 | 176.7 | -172.7 | 0 | 110.2 | D54 E76 G77 | K5-D54 CarbonylContact C-O 3.54Å; K5-D54 WeakPolarHBondContact CA-O 3.49Å; K5-D54 HydrophobicContact CG-CB 4.38Å; K5-E76 HydrophobicContact CB-CB 4.5Å; K5-E76 HydrophobicContact CB-CG 4.18Å; K5-E76 PolarHBondContact N-OE2 3.31Å; K5-E76 PolarHBondContact O-N 3.26Å; K5-G77 PolarHBondContact O-N 3.23Å |
| 6 | L | 98.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 141.2 | -177.2 | -48.3 | -173.3 | 0 | 0 | 0 | 109.4 | Y4 L53 D54 I55 L56 G77 F156 L159 V160 I163 | Y4-L6 PolarHBondContact O-N 3.41Å; L6-L53 HydrophobicContact CD1-CB 4.22Å; L6-L53 HydrophobicContact CD1-CD1 4.07Å; L6-L53 HydrophobicContact CD1-CD2 4.16Å; L6-L53 HydrophobicContact CD1-CG 4.37Å; L6-D54 PolarHBondContact N-O 3.23Å; L6-I55 HydrophobicContact CB-CG1 4.23Å; L6-I55 HydrophobicContact CD1-CG1 4.21Å; L6-I55 WeakPolarHBondContact O-CA 3.41Å; L6-L56 PolarHBondContact O-N 3.38Å; L6-G77 WeakPolarHBondContact CA-O 3.38Å; L6-F156 HydrophobicContact CD1-CD1 3.85Å; L6-L159 HydrophobicContact CB-CD2 4.15Å; L6-L159 HydrophobicContact CD1-CD2 4.34Å; L6-L159 HydrophobicContact CD2-CD2 3.82Å; L6-L159 HydrophobicContact CD2-CG 4.08Å; L6-L159 HydrophobicContact CG-CD2 4.33Å; L6-V160 HydrophobicContact CD1-CG2 4.41Å; L6-I163 HydrophobicContact CD2-CD1 3.36Å |
| 7 | V | 98.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 132 | 175.5 | -173.3 | 0 | 0 | 0 | 0 | 109.3 | V9 L56 T58 Y71 G77 F78 L79 | V7-V9 HydrophobicContact CG1-CG1 3.8Å; V7-L56 WeakPolarHBondContact CA-O 3.47Å; V7-L56 HydrophobicContact CG1-CB 4.49Å; V7-L56 HydrophobicContact CG2-CB 4.3Å; V7-L56 HydrophobicContact CG2-CD2 4.5Å; V7-T58 HydrophobicContact CG1-CG2 3.57Å; V7-Y71 HydrophobicContact CG1-CD2 3.71Å; V7-Y71 HydrophobicContact CG1-CE2 4.25Å; V7-Y71 HydrophobicContact CG1-CG 4.22Å; V7-G77 PolarHBondContact N-O 3.43Å; V7-F78 HydrophobicContact CB-CD1 3.73Å; V7-F78 HydrophobicContact CB-CE1 3.85Å; V7-F78 HydrophobicContact CG1-CD1 4.28Å; V7-F78 HydrophobicContact CG1-CE1 4.36Å; V7-F78 HydrophobicContact CG2-CD1 4.35Å; V7-F78 HydrophobicContact CG2-CE1 3.99Å; V7-F78 CarbonylContact O-C 3.6Å; V7-F78 VanDerWaalsContact O-CA 3.28Å; V7-F78 WeakPolarHBondContact O-CA 3.31Å; V7-L79 PolarHBondContact O-N 3.12Å |
| 8 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 114.1 | 177.3 | -167.9 | 0 | 0 | 0 | 0 | 108.5 | K16 I55 L56 T58 L79 V81 F156 | V8-K16 HydrophobicContact CB-CB 4.42Å; V8-K16 HydrophobicContact CG1-CB 3.63Å; V8-K16 HydrophobicContact CG1-CD 4.2Å; V8-K16 HydrophobicContact CG1-CG 3.88Å; V8-I55 HydrophobicContact CG2-CG2 3.91Å; V8-L56 PolarHBondContact N-O 2.88Å; V8-T58 PolarHBondContact O-OG1 3.16Å; V8-L79 HydrophobicContact CG1-CB 4.26Å; V8-L79 HydrophobicContact CG2-CD1 4.4Å; V8-V81 HydrophobicContact CG1-CG2 3.61Å; V8-F156 HydrophobicContact CG2-CE1 4.27Å; V8-F156 HydrophobicContact CG2-CZ 4.41Å |
| 9 | V | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 159.5 | -177.2 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | V7 K16 Y71 F78 L79 C80 V81 Y96 I100 | V7-V9 HydrophobicContact CG1-CG1 3.8Å; V9-K16 VanDerWaalsContact C-CD 3.48Å; V9-Y71 HydrophobicContact CG1-CD2 4.45Å; V9-Y71 HydrophobicContact CG1-CE2 3.73Å; V9-F78 HydrophobicContact CG1-CD1 4.35Å; V9-L79 WeakPolarHBondContact CG2-O 3.39Å; V9-L79 PolarHBondContact N-O 2.97Å; V9-C80 HydrophobicContact CG2-CB 4.5Å; V9-V81 PolarHBondContact O-N 3.31Å; V9-Y96 HydrophobicContact CB-CD1 3.96Å; V9-Y96 HydrophobicContact CB-CE1 4.31Å; V9-Y96 HydrophobicContact CG2-CD1 4.23Å; V9-Y96 HydrophobicContact CG2-CG 4.49Å; V9-I100 HydrophobicContact CG2-CD1 4.12Å |
| 10 | G | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | 142.3 | 165.9 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | K16 G60 V81 Y96 | G10-K16 WeakPolarHBondContact O-CE 3.13Å; G10-K16 PolarHBondContact O-NZ 3.43Å; G10-G60 WeakPolarHBondContact O-CA 3.2Å; G10-V81 WeakPolarHBondContact CA-O 3.5Å; G10-Y96 PolarHBondContact O-OH 3.37Å | ||
| 11 | A | 96.1 | Very high | 97 | Very high | 13 Ų | 13 | 24.9 Ų | 24.9 | 11% | 0.107 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -56.3 | 164.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V14 K16 G60 | A11-V14 HydrophobicContact CB-CG1 3.98Å; A11-V14 VanDerWaalsContact O-CG2 3.28Å; A11-V14 WeakPolarHBondContact O-CG2 3.38Å; A11-K16 PolarHBondContact O-NZ 3.07Å; A11-K16 VanDerWaalsContact O-NZ 3.14Å; A11-G60 CarbonylContact C-O 3.56Å |
| 12 | G | 94.2 | Very high | 97.4 | Very high | 29 Ų | 29 | 18.9 Ų | 18.9 | 30% | 0.299 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 143.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | V14 G60 | G12-V14 PolarHBondContact O-N 3.15Å; G12-V14 VanDerWaalsContact O-N 3.11Å; G12-G60 PolarHBondContact N-O 3.26Å |
| 13 | G | 94.2 | Very high | 97.4 | Very high | 25 Ų | 25 | 16.6 Ų | 16.6 | 26% | 0.258 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | G15 Y32 K117 | G13-G15 PolarHBondContact O-N 3.18Å; G13-Y32 PolarHBondContact N-OH 3.19Å; G13-Y32 VanDerWaalsContact N-OH 3.08Å; G13-K117 VanDerWaalsContact O-CE 3.25Å; G13-K117 WeakPolarHBondContact O-CE 3.48Å; G13-K117 PolarHBondContact O-NZ 3.29Å |
| 14 | V | 97.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -72.3 | -14.9 | 178.1 | -57.7 | 0 | 0 | 0 | 0 | 113.7 | A11 G12 K16 V81 A83 N116 | A11-V14 HydrophobicContact CB-CG1 3.98Å; A11-V14 VanDerWaalsContact O-CG2 3.28Å; A11-V14 WeakPolarHBondContact O-CG2 3.38Å; G12-V14 PolarHBondContact O-N 3.15Å; G12-V14 VanDerWaalsContact O-N 3.11Å; V14-K16 HydrophobicContact CG2-CD 4.32Å; V14-K16 HydrophobicContact CG2-CG 3.58Å; V14-V81 HydrophobicContact CB-CG1 4.29Å; V14-V81 HydrophobicContact CG2-CB 3.98Å; V14-V81 HydrophobicContact CG2-CG1 3.79Å; V14-A83 HydrophobicContact CB-CB 4.26Å; V14-A83 HydrophobicContact CG1-CB 4.4Å; V14-N116 PolarHBondContact O-ND2 3.14Å |
| 15 | G | 97.5 | Very high | 97.1 | Very high | 14 Ų | 14 | 20 Ų | 20 | 14% | 0.144 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 97.1 | 30.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | G13 A18 L19 | G13-G15 PolarHBondContact O-N 3.18Å; G15-A18 PolarHBondContact O-N 3.34Å; G15-L19 WeakPolarHBondContact O-CG 3.34Å; G15-L19 PolarHBondContact O-N 3.46Å |
| 16 | K | 97.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 20 Ų | 20 | 4% | 0.043 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.1 | -55.6 | 174.6 | -57.7 | -170.8 | -59.6 | -73.1 | 0 | 111.7 | V8 V9 G10 A11 V14 A18 L19 T20 D57 T58 G60 V81 | V8-K16 HydrophobicContact CB-CB 4.42Å; V8-K16 HydrophobicContact CG1-CB 3.63Å; V8-K16 HydrophobicContact CG1-CD 4.2Å; V8-K16 HydrophobicContact CG1-CG 3.88Å; V9-K16 VanDerWaalsContact C-CD 3.48Å; G10-K16 WeakPolarHBondContact O-CE 3.13Å; G10-K16 PolarHBondContact O-NZ 3.43Å; A11-K16 PolarHBondContact O-NZ 3.07Å; A11-K16 VanDerWaalsContact O-NZ 3.14Å; V14-K16 HydrophobicContact CG2-CD 4.32Å; V14-K16 HydrophobicContact CG2-CG 3.58Å; K16-A18 VanDerWaalsContact C-N 3.34Å; K16-A18 PolarHBondContact O-N 3.48Å; K16-L19 WeakPolarHBondContact O-CB 3.34Å; K16-L19 PolarHBondContact O-N 3.27Å; K16-L19 VanDerWaalsContact O-N 3.17Å; K16-T20 PolarHBondContact O-N 3.01Å; K16-T20 PolarHBondContact O-OG1 3.01Å; K16-D57 WeakPolarHBondContact CB-OD1 3.48Å; K16-T58 WeakPolarHBondContact CE-O 3.42Å; K16-G60 VanDerWaalsContact NZ-CA 3.29Å; K16-V81 HydrophobicContact CG-CB 4.25Å; K16-V81 HydrophobicContact CG-CG2 4.39Å |
| 17 | S | 97.1 | Very high | 96.5 | Very high | 25 Ų | 25 | 24.8 Ų | 24.8 | 18% | 0.175 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.7 | -41.4 | 177.8 | -39.2 | 0 | 0 | 0 | 0 | 112.1 | L19 T20 I21 T35 D57 | S17-L19 VanDerWaalsContact C-N 3.35Å; S17-L19 PolarHBondContact O-N 3.13Å; S17-T20 PolarHBondContact O-N 3Å; S17-I21 WeakPolarHBondContact O-CB 3.44Å; S17-I21 VanDerWaalsContact O-CG1 3.28Å; S17-I21 WeakPolarHBondContact O-CG1 3.46Å; S17-I21 PolarHBondContact O-N 3.02Å; S17-T35 PolarHBondContact OG-OG1 3.36Å; S17-D57 WeakPolarHBondContact CA-OD2 3.38Å; S17-D57 WeakPolarHBondContact CB-OD2 3.37Å; S17-D57 PolarHBondContact N-OD1 3.31Å; S17-D57 PolarHBondContact OG-OD2 2.92Å |
| 18 | A | 97.5 | Very high | 96.2 | Very high | 20 Ų | 20 | 27.4 Ų | 27.4 | 17% | 0.165 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.1 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G15 K16 Q22 F28 A146 | G15-A18 PolarHBondContact O-N 3.34Å; K16-A18 VanDerWaalsContact C-N 3.34Å; K16-A18 PolarHBondContact O-N 3.48Å; A18-Q22 WeakPolarHBondContact O-CB 3.42Å; A18-Q22 PolarHBondContact O-N 3.44Å; A18-F28 HydrophobicContact CB-CD2 4.31Å; A18-F28 HydrophobicContact CB-CE2 4.01Å; A18-A146 HydrophobicContact CB-CB 3.65Å |
| 19 | L | 98.5 | Very high | 95.6 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.3 | -45.2 | 173.7 | -72.5 | 171 | 0 | 0 | 0 | 111.6 | G15 K16 S17 Q22 L23 V81 V114 N116 T144 A146 V152 | G15-L19 WeakPolarHBondContact O-CG 3.34Å; G15-L19 PolarHBondContact O-N 3.46Å; K16-L19 WeakPolarHBondContact O-CB 3.34Å; K16-L19 PolarHBondContact O-N 3.27Å; K16-L19 VanDerWaalsContact O-N 3.17Å; S17-L19 VanDerWaalsContact C-N 3.35Å; S17-L19 PolarHBondContact O-N 3.13Å; L19-Q22 PolarHBondContact O-N 2.9Å; L19-L23 PolarHBondContact O-N 3.02Å; L19-V81 HydrophobicContact CD1-CG1 3.87Å; L19-V81 HydrophobicContact CD1-CG2 4.15Å; L19-V114 HydrophobicContact CD1-CG1 4.01Å; L19-N116 HydrophobicContact CD1-CB 4.25Å; L19-T144 HydrophobicContact CD2-CG2 4.37Å; L19-A146 HydrophobicContact CD2-CB 3.98Å; L19-A146 HydrophobicContact CG-CB 4.26Å; L19-V152 HydrophobicContact CD2-CG2 3.78Å |
| 20 | T | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.8 | -53.3 | 179.3 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | K16 S17 Q22 L23 I24 Y40 I55 D57 | K16-T20 PolarHBondContact O-N 3.01Å; K16-T20 PolarHBondContact O-OG1 3.01Å; S17-T20 PolarHBondContact O-N 3Å; T20-Q22 VanDerWaalsContact C-N 3.32Å; T20-Q22 PolarHBondContact O-N 2.79Å; T20-L23 WeakPolarHBondContact O-CB 3.42Å; T20-L23 PolarHBondContact O-N 2.88Å; T20-L23 VanDerWaalsContact O-N 3.1Å; T20-I24 HydrophobicContact CG2-CG1 4.26Å; T20-I24 VanDerWaalsContact O-CG1 3.25Å; T20-I24 WeakPolarHBondContact O-CG1 3.43Å; T20-I24 PolarHBondContact O-N 2.76Å; T20-Y40 HydrophobicContact CG2-CD2 3.43Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.43Å; T20-Y40 HydrophobicContact CG2-CE2 3.9Å; T20-Y40 HydrophobicContact CG2-CG 4.03Å; T20-I55 HydrophobicContact CG2-CG2 3.81Å; T20-D57 HydrophobicContact CG2-CB 4.48Å |
| 21 | I | 96.3 | Very high | 94.4 | Very high | 25 Ų | 25 | 46.4 Ų | 46.4 | 13% | 0.128 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 178.9 | -66.3 | 166 | 0 | 0 | 0 | 110.8 | S17 L23 I24 Q25 V29 | S17-I21 WeakPolarHBondContact O-CB 3.44Å; S17-I21 VanDerWaalsContact O-CG1 3.28Å; S17-I21 WeakPolarHBondContact O-CG1 3.46Å; S17-I21 PolarHBondContact O-N 3.02Å; I21-L23 VanDerWaalsContact C-N 3.29Å; I21-L23 PolarHBondContact O-N 3.14Å; I21-I24 PolarHBondContact O-N 3.31Å; I21-I24 VanDerWaalsContact O-N 3.15Å; I21-Q25 HydrophobicContact CG2-CB 4.32Å; I21-Q25 HydrophobicContact CG2-CG 4.38Å; I21-Q25 WeakPolarHBondContact O-CB 3.32Å; I21-Q25 PolarHBondContact O-N 2.84Å; I21-V29 HydrophobicContact CD1-CG2 4.42Å; I21-V29 HydrophobicContact CG2-CG2 4.18Å |
| 22 | Q | 97.5 | Very high | 93.5 | Very high | 12 Ų | 12 | 52.5 Ų | 52.5 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.6 | -39 | 176.3 | -177.4 | 67.5 | -55 | 0 | 0 | 111.7 | A18 L19 T20 N26 H27 A146 R149 V152 | A18-Q22 WeakPolarHBondContact O-CB 3.42Å; A18-Q22 PolarHBondContact O-N 3.44Å; L19-Q22 PolarHBondContact O-N 2.9Å; T20-Q22 VanDerWaalsContact C-N 3.32Å; T20-Q22 PolarHBondContact O-N 2.79Å; Q22-N26 VanDerWaalsContact O-CA 3.3Å; Q22-N26 WeakPolarHBondContact O-CA 3Å; Q22-N26 PolarHBondContact O-N 2.98Å; Q22-N26 VanDerWaalsContact O-N 3.14Å; Q22-H27 WeakPolarHBondContact CA-O 2.95Å; Q22-H27 PolarHBondContact N-O 3.44Å; Q22-H27 VanDerWaalsContact OE1-C 3.24Å; Q22-H27 PolarHBondContact OE1-O 3.45Å; Q22-A146 WeakPolarHBondContact CG-O 3.46Å; Q22-A146 PolarHBondContact NE2-O 2.73Å; Q22-R149 HydrophobicContact CG-CB 4.33Å; Q22-R149 HydrophobicContact CG-CG 4.21Å; Q22-V152 HydrophobicContact CG-CG1 4.43Å; Q22-V152 HydrophobicContact CG-CG2 4.16Å |
| 23 | L | 97.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.5 | -48.7 | 172.5 | -173.8 | 76.8 | 0 | 0 | 0 | 111.2 | L19 T20 I21 K42 M44 L53 I55 V152 E153 F156 | L19-L23 PolarHBondContact O-N 3.02Å; T20-L23 WeakPolarHBondContact O-CB 3.42Å; T20-L23 PolarHBondContact O-N 2.88Å; T20-L23 VanDerWaalsContact O-N 3.1Å; I21-L23 VanDerWaalsContact C-N 3.29Å; I21-L23 PolarHBondContact O-N 3.14Å; L23-K42 HydrophobicContact CG-CD 4.22Å; L23-K42 PolarHBondContact O-NZ 3.35Å; L23-M44 HydrophobicContact CD1-CE 4.17Å; L23-M44 HydrophobicContact CD1-SD 4.11Å; L23-M44 HydrophobicContact CD2-SD 4.32Å; L23-M44 HydrophobicContact CG-SD 4.44Å; L23-L53 HydrophobicContact CD2-CD1 4.39Å; L23-I55 HydrophobicContact CD2-CD1 3.51Å; L23-V152 HydrophobicContact CB-CG1 4Å; L23-V152 HydrophobicContact CD1-CG1 4.3Å; L23-E153 HydrophobicContact CD1-CG 3.82Å; L23-F156 HydrophobicContact CB-CD2 4.31Å; L23-F156 HydrophobicContact CB-CE2 4.02Å; L23-F156 HydrophobicContact CD1-CD2 3.94Å; L23-F156 HydrophobicContact CD1-CE2 4.49Å; L23-F156 HydrophobicContact CD1-CG 4.47Å; L23-F156 HydrophobicContact CD2-CB 4.21Å; L23-F156 HydrophobicContact CD2-CD1 3.86Å; L23-F156 HydrophobicContact CD2-CD2 3.55Å; L23-F156 HydrophobicContact CD2-CE1 4.07Å; L23-F156 HydrophobicContact CD2-CE2 3.79Å; L23-F156 HydrophobicContact CD2-CG 3.6Å; L23-F156 HydrophobicContact CD2-CZ 4.05Å; L23-F156 HydrophobicContact CG-CD2 4.12Å; L23-F156 HydrophobicContact CG-CE2 4.31Å |
| 24 | I | 95.9 | Very high | 93 | Very high | 39 Ų | 39 | 58.8 Ų | 58.8 | 20% | 0.2 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -72.9 | -46.1 | -171 | -60.1 | -63.4 | 0 | 0 | 0 | 112.1 | T20 I21 Y40 K42 I55 | T20-I24 HydrophobicContact CG2-CG1 4.26Å; T20-I24 VanDerWaalsContact O-CG1 3.25Å; T20-I24 WeakPolarHBondContact O-CG1 3.43Å; T20-I24 PolarHBondContact O-N 2.76Å; I21-I24 PolarHBondContact O-N 3.31Å; I21-I24 VanDerWaalsContact O-N 3.15Å; I24-Y40 HydrophobicContact CG1-CD1 4.16Å; I24-Y40 HydrophobicContact CG1-CG 4.03Å; I24-Y40 HydrophobicContact CG2-CD1 4.24Å; I24-K42 HydrophobicContact CD1-CB 3.56Å; I24-K42 HydrophobicContact CD1-CD 4.2Å; I24-K42 HydrophobicContact CD1-CG 4.42Å; I24-I55 HydrophobicContact CD1-CD1 4.17Å |
| 25 | Q | 93.6 | Very high | 92.5 | Very high | 110 Ų | 110 | 59.9 Ų | 59.9 | 51% | 0.514 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -111.1 | -5.9 | -166.1 | -58.9 | -178.4 | -3.4 | 0 | 0 | 113.5 | I21 H27 | I21-Q25 HydrophobicContact CG2-CB 4.32Å; I21-Q25 HydrophobicContact CG2-CG 4.38Å; I21-Q25 WeakPolarHBondContact O-CB 3.32Å; I21-Q25 PolarHBondContact O-N 2.84Å; Q25-H27 HydrophobicContact CB-CB 4.17Å; Q25-H27 PolarHBondContact O-N 2.96Å |
| 26 | N | 93.6 | Very high | 92 | Very high | 89 Ų | 89 | 63.7 Ų | 63.7 | 48% | 0.476 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 51.5 | 36.8 | -169.5 | -57.6 | -55.2 | 0 | 0 | 0 | 112.2 | Q22 R149 | Q22-N26 VanDerWaalsContact O-CA 3.3Å; Q22-N26 WeakPolarHBondContact O-CA 3Å; Q22-N26 PolarHBondContact O-N 2.98Å; Q22-N26 VanDerWaalsContact O-N 3.14Å; N26-R149 PolarHBondContact OD1-NH1 2.69Å; N26-R149 PolarHBondContact OD1-NH2 2.93Å |
| 27 | H | 92.2 | Very high | 91.7 | Very high | 102 Ų | 102 | 66.7 Ų | 66.7 | 47% | 0.472 | 33% | 0.333 | S | S | . | . | trans | -132 | 142 | -179.3 | -176 | 64.2 | 0 | 0 | 0 | 110.8 | Q22 Q25 | Q22-H27 WeakPolarHBondContact CA-O 2.95Å; Q22-H27 PolarHBondContact N-O 3.44Å; Q22-H27 VanDerWaalsContact OE1-C 3.24Å; Q22-H27 PolarHBondContact OE1-O 3.45Å; Q25-H27 HydrophobicContact CB-CB 4.17Å; Q25-H27 PolarHBondContact O-N 2.96Å | ||
| 28 | F | 91.5 | Very high | 91.6 | Very high | 58 Ų | 58 | 68.9 Ų | 68.9 | 25% | 0.254 | 34% | 0.343 | S | S | . | . | trans | -108.2 | 118.4 | 172.6 | 176.8 | -103.7 | 0 | 0 | 0 | 109.3 | A18 E30 A146 K147 | A18-F28 HydrophobicContact CB-CD2 4.31Å; A18-F28 HydrophobicContact CB-CE2 4.01Å; F28-E30 HydrophobicContact CD1-CG 4.02Å; F28-E30 HydrophobicContact CE1-CB 4.44Å; F28-E30 HydrophobicContact CE1-CG 3.91Å; F28-A146 HydrophobicContact CD2-CB 4.02Å; F28-A146 HydrophobicContact CE2-CB 4.05Å; F28-K147 HydrophobicContact CD1-CB 4.38Å; F28-K147 HydrophobicContact CD1-CG 4.12Å; F28-K147 HydrophobicContact CD2-CB 4.28Å; F28-K147 HydrophobicContact CE1-CB 4.22Å; F28-K147 HydrophobicContact CE1-CD 4.46Å; F28-K147 HydrophobicContact CE1-CG 4.05Å; F28-K147 HydrophobicContact CE2-CB 4.14Å; F28-K147 HydrophobicContact CG-CB 4.4Å; F28-K147 HydrophobicContact CZ-CB 4.11Å; F28-K147 HydrophobicContact CZ-CG 4.41Å | ||
| 29 | V | 85.9 | Confident | 91.6 | Very high | 62 Ų | 62 | 71.5 Ų | 71.5 | 38% | 0.376 | 36% | 0.359 | S | S | . | . | trans | -87.4 | 120 | 175 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | I21 | I21-V29 HydrophobicContact CD1-CG2 4.42Å; I21-V29 HydrophobicContact CG2-CG2 4.18Å | ||
| 30 | E | 84.3 | Confident | 91.5 | Very high | 163 Ų | 163 | 73.6 Ų | 73.6 | 76% | 0.762 | 37% | 0.368 | S | S | * | . | trans | -77.5 | -33.3 | -178.1 | -59.6 | -162.3 | 151.5 | 0 | 0 | 112.7 | F28 | F28-E30 HydrophobicContact CD1-CG 4.02Å; F28-E30 HydrophobicContact CE1-CB 4.44Å; F28-E30 HydrophobicContact CE1-CG 3.91Å | ||
| 31 | E | 85.5 | Confident | 91.5 | Very high | 175 Ų | 175 | 80.6 Ų | 80.6 | 82% | 0.818 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -75 | 135.8 | 178.4 | -66.3 | -177.3 | -177.7 | 0 | 0 | 110.9 | ||
| 32 | Y | 78.5 | Confident | 91.6 | Very high | 141 Ų | 141 | 81.5 Ų | 81.5 | 55% | 0.553 | 40% | 0.397 | S | S | * | . | trans | -101.6 | 114.7 | 179 | 176.5 | -108.1 | 0 | 0 | 0 | 110.6 | G13 P34 | G13-Y32 PolarHBondContact N-OH 3.19Å; G13-Y32 VanDerWaalsContact N-OH 3.08Å; Y32-P34 HydrophobicContact CE1-CG 3.84Å | ||
| 33 | D | 86.6 | Confident | 91.6 | Very high | 133 Ų | 133 | 86.7 Ų | 86.7 | 71% | 0.711 | 42% | 0.421 | S | S | * | . | trans | -113 | 123.9 | 167.3 | -170.4 | 8.8 | 0 | 0 | 0 | 109.2 | T35 | D33-T35 PolarHBondContact O-N 2.94Å; D33-T35 VanDerWaalsContact O-N 3.09Å | ||
| 34 | P | 89.9 | Confident | 91.6 | Very high | 52 Ų | 52 | 87.5 Ų | 87.5 | 34% | 0.338 | 43% | 0.425 | S | S | . | . | trans | -60.5 | 112.6 | 176.9 | -23.4 | 33.3 | 0 | 0 | 0 | 113.5 | Y32 | Y32-P34 HydrophobicContact CE1-CG 3.84Š| ||
| 35 | T | 88 | Confident | 91.7 | Very high | 23 Ų | 23 | 90 Ų | 90 | 14% | 0.141 | 44% | 0.442 | C | S | . | . | trans | -65.2 | 139.7 | 173.3 | -52.6 | 0 | 0 | 0 | 0 | 112 | S17 D33 D38 A59 | S17-T35 PolarHBondContact OG-OG1 3.36Å; D33-T35 PolarHBondContact O-N 2.94Å; D33-T35 VanDerWaalsContact O-N 3.09Å; T35-D38 HydrophobicContact CG2-CB 4.43Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.27Å; T35-A59 WeakPolarHBondContact O-CA 3.48Å; T35-A59 VanDerWaalsContact O-CB 3.3Å; T35-A59 WeakPolarHBondContact O-CB 3.46Å | ||
| 36 | I | 86.9 | Confident | 91.9 | Very high | 94 Ų | 94 | 84.8 Ų | 84.8 | 48% | 0.482 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -87.2 | -62.9 | 164.6 | -60.7 | -179.2 | 0 | 0 | 0 | 108.7 | A59 Y64 | I36-A59 VanDerWaalsContact O-CB 3.23Å; I36-A59 WeakPolarHBondContact O-CB 3.31Å; I36-A59 PolarHBondContact O-N 3.25Å; I36-Y64 HydrophobicContact CD1-CE1 4.38Å; I36-Y64 HydrophobicContact CG1-CE1 4.17Å; I36-Y64 HydrophobicContact CG1-CE2 4.43Å; I36-Y64 HydrophobicContact CG2-CD1 4.17Å; I36-Y64 HydrophobicContact CG2-CE1 3.87Å |
| 37 | E | 91.7 | Very high | 92.1 | Very high | 73 Ų | 73 | 85.2 Ų | 85.2 | 34% | 0.341 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 133 | 173.4 | -174.8 | 176.6 | 87.5 | 0 | 0 | 108.4 | L56 D57 | E37-L56 HydrophobicContact CG-CD1 3.57Å; E37-L56 HydrophobicContact CG-CG 4.15Å; E37-D57 CarbonylContact C-O 3.57Å; E37-D57 WeakPolarHBondContact CA-O 3.37Å |
| 38 | D | 94.9 | Very high | 92.3 | Very high | 72 Ų | 72 | 83.7 Ų | 83.7 | 39% | 0.385 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 146.5 | 173.1 | -76.5 | -55.1 | 0 | 0 | 0 | 110.4 | T35 Y40 D57 | T35-D38 HydrophobicContact CG2-CB 4.43Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.27Å; D38-Y40 HydrophobicContact CB-CD2 4.37Å; D38-Y40 HydrophobicContact CB-CE2 3.51Å; D38-D57 HydrophobicContact CB-CB 4.41Å; D38-D57 PolarHBondContact N-O 3.29Å; D38-D57 PolarHBondContact O-N 2.97Å |
| 39 | S | 96 | Very high | 92.6 | Very high | 74 Ų | 74 | 84.3 Ų | 84.3 | 52% | 0.517 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.5 | 178.5 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | I55 | S39-I55 WeakPolarHBondContact CA-O 3.44Å |
| 40 | Y | 97.5 | Very high | 93.1 | Very high | 47 Ų | 47 | 85.6 Ų | 85.6 | 18% | 0.184 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 147 | -179.1 | -59.7 | -89.4 | 0 | 0 | 0 | 111 | T20 I24 D38 I55 D57 | T20-Y40 HydrophobicContact CG2-CD2 3.43Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.43Å; T20-Y40 HydrophobicContact CG2-CE2 3.9Å; T20-Y40 HydrophobicContact CG2-CG 4.03Å; I24-Y40 HydrophobicContact CG1-CD1 4.16Å; I24-Y40 HydrophobicContact CG1-CG 4.03Å; I24-Y40 HydrophobicContact CG2-CD1 4.24Å; D38-Y40 HydrophobicContact CB-CD2 4.37Å; D38-Y40 HydrophobicContact CB-CE2 3.51Å; Y40-I55 PolarHBondContact N-O 3.45Å; Y40-I55 PolarHBondContact O-N 3.21Å; Y40-D57 HydrophobicContact CE2-CB 4.38Å |
| 41 | R | 97.8 | Very high | 93.8 | Very high | 146 Ų | 146 | 77.8 Ų | 77.8 | 55% | 0.551 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 130.2 | 177.3 | -71.6 | 179.5 | 170 | -141.5 | -16.7 | 110.9 | E3 L52 L53 D54 | E3-R41 IonicContact OE1-CZ 3.6Å; E3-R41 IonicContact OE1-NH1 3.66Å; E3-R41 IonicContact OE1-NH2 3.36Å; E3-R41 PolarHBondContact OE1-NH2 3.26Å; R41-L52 HydrophobicContact CB-CD1 4.26Å; R41-L53 VanDerWaalsContact CA-O 3.28Å; R41-L53 WeakPolarHBondContact CA-O 3.4Å; R41-D54 WeakPolarHBondContact CG-OD1 3.33Å; R41-D54 IonicContact CZ-OD1 3.4Å; R41-D54 IonicContact CZ-OD2 2.73Å; R41-D54 IonicContact NE-OD1 3.7Å; R41-D54 PolarHBondContact NE-OD1 2.92Å; R41-D54 IonicContact NE-OD2 3.77Å; R41-D54 VanDerWaalsContact NH2-CG 3.32Å; R41-D54 IonicContact NH2-OD1 3.05Å; R41-D54 IonicContact NH2-OD2 3.45Å; R41-D54 PolarHBondContact NH2-OD2 2.92Å |
| 42 | K | 97.5 | Very high | 94.4 | Very high | 44 Ų | 44 | 71 Ų | 71 | 19% | 0.191 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 129.2 | 176.7 | -173 | 177.6 | -177.1 | -177.2 | 0 | 111.7 | L23 I24 M44 L53 | L23-K42 HydrophobicContact CG-CD 4.22Å; L23-K42 PolarHBondContact O-NZ 3.35Å; I24-K42 HydrophobicContact CD1-CB 3.56Å; I24-K42 HydrophobicContact CD1-CD 4.2Å; I24-K42 HydrophobicContact CD1-CG 4.42Å; K42-M44 HydrophobicContact CD-CG 3.97Å; K42-M44 HydrophobicContact CD-SD 3.94Å; K42-M44 HydrophobicContact CG-CG 3.87Å; K42-M44 HydrophobicContact CG-SD 4.41Å; K42-L53 PolarHBondContact N-O 3.49Å; K42-L53 PolarHBondContact O-N 3.3Å |
| 43 | Q | 98 | Very high | 95.4 | Very high | 122 Ų | 122 | 64.2 Ų | 64.2 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 130.7 | 169.6 | -170.6 | 175.8 | 27 | 0 | 0 | 109.7 | M1 I50 C51 | M1-Q43 HydrophobicContact SD-CG 3.94Å; M1-Q43 PolarHBondContact SD-NE2 3.4Å; M1-Q43 VanDerWaalsContact SD-NE2 3.44Å; Q43-I50 HydrophobicContact CG-CG2 3.76Å; Q43-C51 WeakPolarHBondContact CA-O 3.37Å |
| 44 | M | 97.7 | Very high | 95.9 | Very high | 18 Ų | 18 | 59 Ų | 59 | 9% | 0.089 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 153.5 | -179.5 | -63.9 | -167.1 | 72 | 0 | 0 | 111.4 | L23 K42 I46 C51 L53 E153 H157 | L23-M44 HydrophobicContact CD1-CE 4.17Å; L23-M44 HydrophobicContact CD1-SD 4.11Å; L23-M44 HydrophobicContact CD2-SD 4.32Å; L23-M44 HydrophobicContact CG-SD 4.44Å; K42-M44 HydrophobicContact CD-CG 3.97Å; K42-M44 HydrophobicContact CD-SD 3.94Å; K42-M44 HydrophobicContact CG-CG 3.87Å; K42-M44 HydrophobicContact CG-SD 4.41Å; M44-I46 HydrophobicContact CB-CD1 4.44Å; M44-I46 HydrophobicContact CB-CG1 4.25Å; M44-C51 PolarHBondContact N-O 3.11Å; M44-C51 PolarHBondContact O-N 3.24Å; M44-C51 PolarHBondContact O-SG 3.06Å; M44-C51 VanDerWaalsContact O-SG 3.4Å; M44-L53 HydrophobicContact CG-CD1 4.29Å; M44-L53 HydrophobicContact SD-CD1 3.57Å; M44-L53 VanDerWaalsContact SD-CD1 3.57Å; M44-L53 HydrophobicContact SD-CG 4.4Å; M44-E153 HydrophobicContact CE-CG 4.34Å; M44-H157 WeakPolarHBondContact CE-NE2 3.44Å |
| 45 | V | 98.1 | Very high | 96.4 | Very high | 92 Ų | 92 | 56.5 Ų | 56.5 | 56% | 0.558 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 112.8 | 171.7 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | E49 I50 | V45-E49 WeakPolarHBondContact CA-O 3.28Å; V45-I50 HydrophobicContact CG2-CG1 4.19Å |
| 46 | I | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 115.8 | -178.2 | -55.1 | 178.1 | 0 | 0 | 0 | 108.5 | M44 G48 E49 L53 H157 V160 R164 | M44-I46 HydrophobicContact CB-CD1 4.44Å; M44-I46 HydrophobicContact CB-CG1 4.25Å; I46-G48 VanDerWaalsContact C-N 3.28Å; I46-G48 PolarHBondContact O-N 2.79Å; I46-E49 PolarHBondContact N-O 3.03Å; I46-E49 PolarHBondContact O-N 3.06Å; I46-L53 HydrophobicContact CD1-CD2 4.22Å; I46-H157 HydrophobicContact CG2-CB 4.31Å; I46-V160 HydrophobicContact CD1-CB 3.93Å; I46-V160 HydrophobicContact CD1-CG1 4.03Å; I46-V160 HydrophobicContact CD1-CG2 3.72Å; I46-V160 HydrophobicContact CG2-CG1 4.27Å; I46-R164 PolarHBondContact O-NH1 2.74Å; I46-R164 PolarHBondContact O-NH2 3.49Å; I46-R164 VanDerWaalsContact O-NH2 3.15Å |
| 47 | D | 97.3 | Very high | 97.3 | Very high | 98 Ų | 98 | 52.2 Ų | 52.2 | 52% | 0.524 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 40.5 | -175.3 | -48.1 | -41.4 | 0 | 0 | 0 | 112.3 | E49 R161 R164 | D47-E49 PolarHBondContact O-N 3.35Å; D47-R161 IonicContact OD1-CZ 3.84Å; D47-R161 IonicContact OD1-NE 3.91Å; D47-R161 PolarHBondContact OD1-NE 3.39Å; D47-R161 VanDerWaalsContact OD1-NE 3.09Å; D47-R161 IonicContact OD1-NH2 3.48Å; D47-R161 PolarHBondContact OD1-NH2 2.63Å; D47-R161 WeakPolarHBondContact OD2-CG 3.48Å; D47-R161 IonicContact OD2-NE 2.88Å; D47-R161 PolarHBondContact OD2-NE 3.15Å; D47-R161 VanDerWaalsContact OD2-NE 3.08Å; D47-R164 IonicContact OD2-NH1 3.85Å; D47-R164 PolarHBondContact OD2-NH1 2.93Å |
| 48 | G | 96.8 | Very high | 97.4 | Very high | 71 Ų | 71 | 48.8 Ų | 48.8 | 73% | 0.732 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | -7.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | I46 | I46-G48 VanDerWaalsContact C-N 3.28Å; I46-G48 PolarHBondContact O-N 2.79Å |
| 49 | E | 97 | Very high | 97.3 | Very high | 71 Ų | 71 | 45.6 Ų | 45.6 | 33% | 0.332 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 129.1 | 176.2 | -172.5 | -166.8 | 168.6 | 0 | 0 | 110.9 | T2 V45 I46 D47 C51 R164 | T2-E49 PolarHBondContact OG1-OE1 3.48Å; V45-E49 WeakPolarHBondContact CA-O 3.28Å; I46-E49 PolarHBondContact N-O 3.03Å; I46-E49 PolarHBondContact O-N 3.06Å; D47-E49 PolarHBondContact O-N 3.35Å; E49-C51 PolarHBondContact O-N 3.22Å; E49-R164 IonicContact OE2-CZ 3.09Å; E49-R164 IonicContact OE2-NE 3.08Å; E49-R164 IonicContact OE2-NH2 2.74Å; E49-R164 PolarHBondContact OE2-NH2 3.46Å |
| 50 | I | 97.9 | Very high | 96.8 | Very high | 88 Ų | 88 | 42.5 Ų | 42.5 | 45% | 0.451 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 124.4 | 169.1 | -56 | 175.8 | 0 | 0 | 0 | 109 | M1 Q43 V45 | M1-I50 HydrophobicContact CG-CG2 4.3Å; M1-I50 WeakPolarHBondContact CG-O 3.29Å; M1-I50 HydrophobicContact SD-CG2 3.83Å; Q43-I50 HydrophobicContact CG-CG2 3.76Å; V45-I50 HydrophobicContact CG2-CG1 4.19Å |
| 51 | C | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 160.3 | 177.7 | 65.6 | 0 | 0 | 0 | 0 | 112 | T2 Y4 Q43 M44 E49 | T2-C51 CarbonylContact O-C 3.59Å; T2-C51 VanDerWaalsContact O-CA 3.31Å; T2-C51 WeakPolarHBondContact O-CA 3.32Å; T2-C51 WeakPolarHBondContact O-CB 3.49Å; Y4-C51 HydrophobicContact CD2-CB 3.79Å; Y4-C51 HydrophobicContact CE2-CB 3.56Å; Q43-C51 WeakPolarHBondContact CA-O 3.37Å; M44-C51 PolarHBondContact N-O 3.11Å; M44-C51 PolarHBondContact O-N 3.24Å; M44-C51 PolarHBondContact O-SG 3.06Å; M44-C51 VanDerWaalsContact O-SG 3.4Å; E49-C51 PolarHBondContact O-N 3.22Å |
| 52 | L | 98.6 | Very high | 95.4 | Very high | 31 Ų | 31 | 40.9 Ų | 40.9 | 16% | 0.162 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 122.2 | 172.6 | -178.9 | 66 | 0 | 0 | 0 | 108.7 | M1 T2 E3 Y4 R41 | M1-L52 HydrophobicContact CE-CB 3.77Å; M1-L52 HydrophobicContact CE-CD2 4.38Å; M1-L52 HydrophobicContact CE-CG 4.5Å; M1-L52 HydrophobicContact CG-CB 4.47Å; M1-L52 HydrophobicContact SD-CB 4.13Å; T2-L52 PolarHBondContact O-N 3.45Å; E3-L52 CarbonylContact C-O 3.55Å; E3-L52 WeakPolarHBondContact CA-O 3.37Å; E3-L52 HydrophobicContact CB-CB 4.44Å; E3-L52 HydrophobicContact CG-CB 4.45Å; E3-L52 HydrophobicContact CG-CD2 4.14Å; E3-L52 HydrophobicContact CG-CG 4.41Å; Y4-L52 PolarHBondContact N-O 3.09Å; R41-L52 HydrophobicContact CB-CD1 4.26Å |
| 53 | L | 98.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 120.5 | 169.8 | -49.9 | -169.1 | 0 | 0 | 0 | 108 | Y4 L6 L23 R41 K42 M44 I46 I55 F156 V160 | Y4-L53 HydrophobicContact CD2-CD2 4.23Å; L6-L53 HydrophobicContact CD1-CB 4.22Å; L6-L53 HydrophobicContact CD1-CD1 4.07Å; L6-L53 HydrophobicContact CD1-CD2 4.16Å; L6-L53 HydrophobicContact CD1-CG 4.37Å; L23-L53 HydrophobicContact CD2-CD1 4.39Å; R41-L53 VanDerWaalsContact CA-O 3.28Å; R41-L53 WeakPolarHBondContact CA-O 3.4Å; K42-L53 PolarHBondContact N-O 3.49Å; K42-L53 PolarHBondContact O-N 3.3Å; M44-L53 HydrophobicContact CG-CD1 4.29Å; M44-L53 HydrophobicContact SD-CD1 3.57Å; M44-L53 VanDerWaalsContact SD-CD1 3.57Å; M44-L53 HydrophobicContact SD-CG 4.4Å; I46-L53 HydrophobicContact CD1-CD2 4.22Å; L53-I55 HydrophobicContact CB-CD1 4.07Å; L53-I55 HydrophobicContact CB-CG1 3.98Å; L53-I55 HydrophobicContact CD1-CD1 4.44Å; L53-F156 HydrophobicContact CD1-CB 4.3Å; L53-V160 HydrophobicContact CD2-CG2 3.56Å |
| 54 | D | 98.5 | Very high | 93.9 | Very high | 22 Ų | 22 | 43.6 Ų | 43.6 | 12% | 0.118 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 96 | 170.4 | -168.9 | 23.3 | 0 | 0 | 0 | 107 | E3 Y4 K5 L6 R41 | E3-D54 HydrophobicContact CG-CB 4.21Å; Y4-D54 PolarHBondContact O-N 3.39Å; K5-D54 CarbonylContact C-O 3.54Å; K5-D54 WeakPolarHBondContact CA-O 3.49Å; K5-D54 HydrophobicContact CG-CB 4.38Å; L6-D54 PolarHBondContact N-O 3.23Å; R41-D54 WeakPolarHBondContact CG-OD1 3.33Å; R41-D54 IonicContact CZ-OD1 3.4Å; R41-D54 IonicContact CZ-OD2 2.73Å; R41-D54 IonicContact NE-OD1 3.7Å; R41-D54 PolarHBondContact NE-OD1 2.92Å; R41-D54 IonicContact NE-OD2 3.77Å; R41-D54 VanDerWaalsContact NH2-CG 3.32Å; R41-D54 IonicContact NH2-OD1 3.05Å; R41-D54 IonicContact NH2-OD2 3.45Å; R41-D54 PolarHBondContact NH2-OD2 2.92Å |
| 55 | I | 98.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 121.2 | -169.3 | -58.8 | 166.8 | 0 | 0 | 0 | 108.7 | L6 V8 T20 L23 I24 S39 Y40 L53 F156 | L6-I55 HydrophobicContact CB-CG1 4.23Å; L6-I55 HydrophobicContact CD1-CG1 4.21Å; L6-I55 WeakPolarHBondContact O-CA 3.41Å; V8-I55 HydrophobicContact CG2-CG2 3.91Å; T20-I55 HydrophobicContact CG2-CG2 3.81Å; L23-I55 HydrophobicContact CD2-CD1 3.51Å; I24-I55 HydrophobicContact CD1-CD1 4.17Å; S39-I55 WeakPolarHBondContact CA-O 3.44Å; Y40-I55 PolarHBondContact N-O 3.45Å; Y40-I55 PolarHBondContact O-N 3.21Å; L53-I55 HydrophobicContact CB-CD1 4.07Å; L53-I55 HydrophobicContact CB-CG1 3.98Å; L53-I55 HydrophobicContact CD1-CD1 4.44Å; I55-F156 HydrophobicContact CD1-CD1 3.96Å; I55-F156 HydrophobicContact CD1-CE1 3.71Å; I55-F156 HydrophobicContact CD1-CZ 4.44Å; I55-F156 HydrophobicContact CG1-CD1 4.48Å; I55-F156 HydrophobicContact CG1-CE1 4.21Å; I55-F156 HydrophobicContact CG2-CE1 4.1Å |
| 56 | L | 97.9 | Very high | 92.4 | Very high | 27 Ų | 27 | 45.3 Ų | 45.3 | 14% | 0.141 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 114.4 | 170.6 | -167.5 | 69.2 | 0 | 0 | 0 | 109.5 | L6 V7 V8 E37 T58 Y71 | L6-L56 PolarHBondContact O-N 3.38Å; V7-L56 WeakPolarHBondContact CA-O 3.47Å; V7-L56 HydrophobicContact CG1-CB 4.49Å; V7-L56 HydrophobicContact CG2-CB 4.3Å; V7-L56 HydrophobicContact CG2-CD2 4.5Å; V8-L56 PolarHBondContact N-O 2.88Å; E37-L56 HydrophobicContact CG-CD1 3.57Å; E37-L56 HydrophobicContact CG-CG 4.15Å; L56-T58 HydrophobicContact CD2-CG2 4.5Å; L56-T58 HydrophobicContact CG-CG2 4.37Å; L56-Y71 HydrophobicContact CD2-CG 4.31Å |
| 57 | D | 96 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 127.6 | 170.5 | -175.8 | 32.7 | 0 | 0 | 0 | 109.3 | K16 S17 T20 E37 D38 Y40 | K16-D57 WeakPolarHBondContact CB-OD1 3.48Å; S17-D57 WeakPolarHBondContact CA-OD2 3.38Å; S17-D57 WeakPolarHBondContact CB-OD2 3.37Å; S17-D57 PolarHBondContact N-OD1 3.31Å; S17-D57 PolarHBondContact OG-OD2 2.92Å; T20-D57 HydrophobicContact CG2-CB 4.48Å; E37-D57 CarbonylContact C-O 3.57Å; E37-D57 WeakPolarHBondContact CA-O 3.37Å; D38-D57 HydrophobicContact CB-CB 4.41Å; D38-D57 PolarHBondContact N-O 3.29Å; D38-D57 PolarHBondContact O-N 2.97Å; Y40-D57 HydrophobicContact CE2-CB 4.38Å |
| 58 | T | 95.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 157.4 | -168.6 | 77.8 | 0 | 0 | 0 | 0 | 112.5 | V7 V8 K16 L56 Y71 | V7-T58 HydrophobicContact CG1-CG2 3.57Å; V8-T58 PolarHBondContact O-OG1 3.16Å; K16-T58 WeakPolarHBondContact CE-O 3.42Å; L56-T58 HydrophobicContact CD2-CG2 4.5Å; L56-T58 HydrophobicContact CG-CG2 4.37Å; T58-Y71 HydrophobicContact CG2-CD1 3.8Å; T58-Y71 HydrophobicContact CG2-CD2 4.21Å; T58-Y71 HydrophobicContact CG2-CE1 3.71Å; T58-Y71 HydrophobicContact CG2-CE2 4.2Å; T58-Y71 HydrophobicContact CG2-CG 4.04Å |
| 59 | A | 92.7 | Very high | 91.1 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | trans | -54.1 | 141.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T35 I36 Y64 | T35-A59 WeakPolarHBondContact O-CA 3.48Å; T35-A59 VanDerWaalsContact O-CB 3.3Å; T35-A59 WeakPolarHBondContact O-CB 3.46Å; I36-A59 VanDerWaalsContact O-CB 3.23Å; I36-A59 WeakPolarHBondContact O-CB 3.31Å; I36-A59 PolarHBondContact O-N 3.25Å; A59-Y64 HydrophobicContact CB-CD2 3.62Å; A59-Y64 HydrophobicContact CB-CG 3.77Å | ||
| 60 | G | 85.1 | Confident | 90.9 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 9% | 0.093 | 25% | 0.245 | C | C | . | . | trans | -105.5 | -1.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G10 A11 G12 K16 | G10-G60 WeakPolarHBondContact O-CA 3.2Å; A11-G60 CarbonylContact C-O 3.56Å; G12-G60 PolarHBondContact N-O 3.26Å; K16-G60 VanDerWaalsContact NZ-CA 3.29Å | ||
| 61 | Q | 83.3 | Confident | 90.7 | Very high | 66 Ų | 66 | 42.5 Ų | 42.5 | 31% | 0.308 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -83.2 | 155.1 | -179.7 | -57.1 | -177.2 | -11 | 0 | 0 | 110.6 | E63 Y64 R68 | Q61-E63 VanDerWaalsContact C-N 3.34Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.45Å; Q61-Y64 HydrophobicContact CB-CD2 4.12Å; Q61-R68 PolarHBondContact O-NH2 2.85Å |
| 62 | E | 81.9 | Confident | 90.5 | Very high | 93 Ų | 93 | 42.5 Ų | 42.5 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -76.7 | -24.7 | -176.4 | -72.4 | -57.4 | 124.8 | 0 | 0 | 112.3 | Y64 S65 R68 | E62-Y64 PolarHBondContact O-N 3Å; E62-S65 WeakPolarHBondContact O-CB 3.36Å; E62-S65 PolarHBondContact O-N 3.4Å; E62-S65 PolarHBondContact O-OG 3.49Å; E62-R68 IonicContact OE1-CZ 3.52Å; E62-R68 IonicContact OE1-NH1 3.06Å; E62-R68 PolarHBondContact OE1-NH1 2.86Å; E62-R68 IonicContact OE1-NH2 3.7Å; E62-R68 PolarHBondContact OE1-NH2 2.8Å; E62-R68 IonicContact OE2-NH1 2.69Å; E62-R68 IonicContact OE2-NH2 2.76Å |
| 63 | E | 81.4 | Confident | 90.4 | Very high | 149 Ų | 149 | 48.5 Ų | 48.5 | 70% | 0.696 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -58.5 | -29 | 176 | -66.2 | 80.2 | 176.5 | 0 | 0 | 111.8 | Q61 | Q61-E63 VanDerWaalsContact C-N 3.34Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.45Å |
| 64 | Y | 82.3 | Confident | 90.2 | Very high | 75 Ų | 75 | 52.4 Ų | 52.4 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -97.4 | 13.1 | 176.5 | -57.6 | -77.2 | 0 | 0 | 0 | 113.1 | I36 A59 Q61 E62 A66 M67 | I36-Y64 HydrophobicContact CD1-CE1 4.38Å; I36-Y64 HydrophobicContact CG1-CE1 4.17Å; I36-Y64 HydrophobicContact CG1-CE2 4.43Å; I36-Y64 HydrophobicContact CG2-CD1 4.17Å; I36-Y64 HydrophobicContact CG2-CE1 3.87Å; A59-Y64 HydrophobicContact CB-CD2 3.62Å; A59-Y64 HydrophobicContact CB-CG 3.77Å; Q61-Y64 HydrophobicContact CB-CD2 4.12Å; E62-Y64 PolarHBondContact O-N 3Å; Y64-A66 PolarHBondContact O-N 2.91Å; Y64-M67 HydrophobicContact CD1-SD 4.1Å; Y64-M67 PolarHBondContact O-N 2.86Å; Y64-M67 VanDerWaalsContact O-N 3.09Å |
| 65 | S | 81.2 | Confident | 90.1 | Very high | 51 Ų | 51 | 51.4 Ų | 51.4 | 36% | 0.357 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -59.5 | -30.1 | -179.7 | 58.8 | 0 | 0 | 0 | 0 | 113.4 | E62 M67 R68 | E62-S65 WeakPolarHBondContact O-CB 3.36Å; E62-S65 PolarHBondContact O-N 3.4Å; E62-S65 PolarHBondContact O-OG 3.49Å; S65-M67 PolarHBondContact O-N 2.91Å; S65-R68 WeakPolarHBondContact O-CB 3.23Å; S65-R68 VanDerWaalsContact O-CG 3.25Å; S65-R68 WeakPolarHBondContact O-CG 3.19Å; S65-R68 PolarHBondContact O-N 3.15Å |
| 66 | A | 83.5 | Confident | 90.1 | Very high | 94 Ų | 94 | 54.3 Ų | 54.3 | 78% | 0.777 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -65.3 | -24.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y64 | Y64-A66 PolarHBondContact O-N 2.91Š|
| 67 | M | 84 | Confident | 90.2 | Very high | 75 Ų | 75 | 53 Ų | 53 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -85.2 | -11.8 | 179.8 | -64.3 | 177.2 | 66.4 | 0 | 0 | 112.8 | Y64 S65 D69 Q70 | Y64-M67 HydrophobicContact CD1-SD 4.1Å; Y64-M67 PolarHBondContact O-N 2.86Å; Y64-M67 VanDerWaalsContact O-N 3.09Å; S65-M67 PolarHBondContact O-N 2.91Å; M67-D69 VanDerWaalsContact C-N 3.3Å; M67-D69 PolarHBondContact O-N 2.89Å; M67-Q70 WeakPolarHBondContact O-CB 3.42Å; M67-Q70 PolarHBondContact O-N 3.43Å; M67-Q70 VanDerWaalsContact O-N 3.11Å |
| 68 | R | 89.3 | Confident | 90.3 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.8 | -39.5 | -171.6 | -60.1 | -169 | 176.6 | 159 | 4.3 | 113.4 | Q61 E62 S65 Q70 Y71 M72 Y96 | Q61-R68 PolarHBondContact O-NH2 2.85Å; E62-R68 IonicContact OE1-CZ 3.52Å; E62-R68 IonicContact OE1-NH1 3.06Å; E62-R68 PolarHBondContact OE1-NH1 2.86Å; E62-R68 IonicContact OE1-NH2 3.7Å; E62-R68 PolarHBondContact OE1-NH2 2.8Å; E62-R68 IonicContact OE2-NH1 2.69Å; E62-R68 IonicContact OE2-NH2 2.76Å; S65-R68 WeakPolarHBondContact O-CB 3.23Å; S65-R68 VanDerWaalsContact O-CG 3.25Å; S65-R68 WeakPolarHBondContact O-CG 3.19Å; S65-R68 PolarHBondContact O-N 3.15Å; R68-Q70 PolarHBondContact O-N 3.06Å; R68-Y71 VanDerWaalsContact CA-CE1 3.46Å; R68-Y71 VanDerWaalsContact CA-CZ 3.42Å; R68-Y71 HydrophobicContact CB-CE1 4.19Å; R68-Y71 HydrophobicContact CB-CE2 4.17Å; R68-Y71 HydrophobicContact CG-CE1 4.18Å; R68-Y71 WeakPolarHBondContact CG-OH 3.37Å; R68-Y71 VanDerWaalsContact O-CD2 3.23Å; R68-Y71 WeakPolarHBondContact O-CD2 3.37Å; R68-Y71 WeakPolarHBondContact O-CE2 3.48Å; R68-Y71 PolarHBondContact O-N 2.81Å; R68-M72 HydrophobicContact CB-CE 4.05Å; R68-M72 HydrophobicContact CB-SD 4.47Å; R68-M72 WeakPolarHBondContact O-CB 3.15Å; R68-M72 WeakPolarHBondContact O-CG 3.25Å; R68-M72 PolarHBondContact O-N 2.95Å; R68-Y96 PolarHBondContact NH2-OH 3.23Å; R68-Y96 VanDerWaalsContact NH2-OH 3.15Å |
| 69 | D | 92.3 | Very high | 90.5 | Very high | 56 Ų | 56 | 53 Ų | 53 | 30% | 0.299 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.8 | -28.3 | -178.2 | -76.4 | 15.5 | 0 | 0 | 0 | 112.5 | M67 R73 Q99 V103 | M67-D69 VanDerWaalsContact C-N 3.3Å; M67-D69 PolarHBondContact O-N 2.89Å; D69-R73 WeakPolarHBondContact O-CB 3.44Å; D69-R73 PolarHBondContact O-N 3.33Å; D69-Q99 PolarHBondContact OD1-NE2 2.96Å; D69-V103 HydrophobicContact CB-CG2 4.15Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.28Å |
| 70 | Q | 92.1 | Very high | 90.8 | Very high | 126 Ų | 126 | 52.9 Ų | 52.9 | 59% | 0.589 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -67 | -55.6 | -179.9 | 178.9 | 174.5 | -42.7 | 0 | 0 | 111.3 | M67 R68 M72 R73 T74 | M67-Q70 WeakPolarHBondContact O-CB 3.42Å; M67-Q70 PolarHBondContact O-N 3.43Å; M67-Q70 VanDerWaalsContact O-N 3.11Å; R68-Q70 PolarHBondContact O-N 3.06Å; Q70-M72 VanDerWaalsContact C-N 3.32Å; Q70-M72 PolarHBondContact O-N 2.81Å; Q70-R73 WeakPolarHBondContact O-CB 3.25Å; Q70-R73 PolarHBondContact O-N 2.84Å; Q70-T74 PolarHBondContact O-N 3.27Å; Q70-T74 PolarHBondContact O-OG1 3.49Å |
| 71 | Y | 93.1 | Very high | 91.4 | Very high | 9 Ų | 9 | 52.4 Ų | 52.4 | 4% | 0.035 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.2 | -31.6 | 179.8 | 57.5 | -118.5 | 0 | 0 | 0 | 112.6 | V7 V9 L56 T58 R68 R73 T74 G75 | V7-Y71 HydrophobicContact CG1-CD2 3.71Å; V7-Y71 HydrophobicContact CG1-CE2 4.25Å; V7-Y71 HydrophobicContact CG1-CG 4.22Å; V9-Y71 HydrophobicContact CG1-CD2 4.45Å; V9-Y71 HydrophobicContact CG1-CE2 3.73Å; L56-Y71 HydrophobicContact CD2-CG 4.31Å; T58-Y71 HydrophobicContact CG2-CD1 3.8Å; T58-Y71 HydrophobicContact CG2-CD2 4.21Å; T58-Y71 HydrophobicContact CG2-CE1 3.71Å; T58-Y71 HydrophobicContact CG2-CE2 4.2Å; T58-Y71 HydrophobicContact CG2-CG 4.04Å; R68-Y71 VanDerWaalsContact CA-CE1 3.46Å; R68-Y71 VanDerWaalsContact CA-CZ 3.42Å; R68-Y71 HydrophobicContact CB-CE1 4.19Å; R68-Y71 HydrophobicContact CB-CE2 4.17Å; R68-Y71 HydrophobicContact CG-CE1 4.18Å; R68-Y71 WeakPolarHBondContact CG-OH 3.37Å; R68-Y71 VanDerWaalsContact O-CD2 3.23Å; R68-Y71 WeakPolarHBondContact O-CD2 3.37Å; R68-Y71 WeakPolarHBondContact O-CE2 3.48Å; R68-Y71 PolarHBondContact O-N 2.81Å; Y71-R73 VanDerWaalsContact C-N 3.26Å; Y71-R73 PolarHBondContact O-N 2.98Å; Y71-T74 PolarHBondContact O-N 2.98Å; Y71-T74 PolarHBondContact O-OG1 2.95Å; Y71-G75 PolarHBondContact O-N 3.5Å |
| 72 | M | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.9 | -32.7 | 175.5 | -71.3 | 179.1 | -175.9 | 0 | 0 | 111.3 | R68 Q70 F78 Y96 Q99 I100 V103 K104 | R68-M72 HydrophobicContact CB-CE 4.05Å; R68-M72 HydrophobicContact CB-SD 4.47Å; R68-M72 WeakPolarHBondContact O-CB 3.15Å; R68-M72 WeakPolarHBondContact O-CG 3.25Å; R68-M72 PolarHBondContact O-N 2.95Å; Q70-M72 VanDerWaalsContact C-N 3.32Å; Q70-M72 PolarHBondContact O-N 2.81Å; M72-F78 HydrophobicContact CB-CE1 4.36Å; M72-F78 HydrophobicContact CG-CE1 4.14Å; M72-F78 WeakPolarHBondContact O-CZ 3.18Å; M72-Y96 HydrophobicContact CE-CD1 4.25Å; M72-Q99 HydrophobicContact CE-CB 4.16Å; M72-Q99 HydrophobicContact CE-CG 4.04Å; M72-Q99 HydrophobicContact SD-CB 4.04Å; M72-Q99 HydrophobicContact SD-CG 3.59Å; M72-Q99 VanDerWaalsContact SD-CG 3.59Å; M72-I100 HydrophobicContact CE-CG1 3.79Å; M72-I100 HydrophobicContact CG-CG1 3.87Å; M72-I100 HydrophobicContact SD-CB 4.44Å; M72-I100 HydrophobicContact SD-CG1 3.71Å; M72-V103 HydrophobicContact CB-CB 4Å; M72-V103 HydrophobicContact CB-CG1 3.74Å; M72-V103 HydrophobicContact CB-CG2 4.31Å; M72-V103 HydrophobicContact SD-CG2 4.35Å; M72-K104 WeakPolarHBondContact O-CD 3.42Å; M72-K104 WeakPolarHBondContact O-CE 3.37Å; M72-K104 PolarHBondContact O-NZ 3.33Å |
| 73 | R | 95.8 | Very high | 93 | Very high | 156 Ų | 156 | 44.9 Ų | 44.9 | 59% | 0.589 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -68.7 | -38.4 | 176.2 | -163.8 | -178.4 | -50 | -73.6 | -5.7 | 112.3 | D69 Q70 Y71 V103 K104 | D69-R73 WeakPolarHBondContact O-CB 3.44Å; D69-R73 PolarHBondContact O-N 3.33Å; Q70-R73 WeakPolarHBondContact O-CB 3.25Å; Q70-R73 PolarHBondContact O-N 2.84Å; Y71-R73 VanDerWaalsContact C-N 3.26Å; Y71-R73 PolarHBondContact O-N 2.98Å; R73-V103 HydrophobicContact CB-CG1 4.04Å; R73-K104 VanDerWaalsContact C-NZ 3.31Å; R73-K104 PolarHBondContact O-NZ 2.75Å |
| 74 | T | 94 | Very high | 93.8 | Very high | 83 Ų | 83 | 37.8 Ų | 37.8 | 51% | 0.509 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -89 | -29 | -175.1 | 57.1 | 0 | 0 | 0 | 0 | 114.3 | Q70 Y71 | Q70-T74 PolarHBondContact O-N 3.27Å; Q70-T74 PolarHBondContact O-OG1 3.49Å; Y71-T74 PolarHBondContact O-N 2.98Å; Y71-T74 PolarHBondContact O-OG1 2.95Å |
| 75 | G | 97.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | trans | -65.5 | 135.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y71 K104 | Y71-G75 PolarHBondContact O-N 3.5Å; G75-K104 WeakPolarHBondContact O-CE 3.18Å; G75-K104 PolarHBondContact O-NZ 3.45Å | ||
| 76 | E | 98.4 | Very high | 95.3 | Very high | 61 Ų | 61 | 37 Ų | 37 | 29% | 0.285 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -87.2 | -26.8 | 176.3 | -68.6 | -178.6 | 114.9 | 0 | 0 | 112.9 | Y4 K5 P110 I163 K167 | Y4-E76 WeakPolarHBondContact CA-OE2 3.46Å; K5-E76 HydrophobicContact CB-CB 4.5Å; K5-E76 HydrophobicContact CB-CG 4.18Å; K5-E76 PolarHBondContact N-OE2 3.31Å; K5-E76 PolarHBondContact O-N 3.26Å; E76-P110 WeakPolarHBondContact O-CG 3.36Å; E76-I163 HydrophobicContact CB-CD1 4.06Å; E76-I163 HydrophobicContact CB-CG1 4.44Å; E76-I163 HydrophobicContact CB-CG2 4.23Å; E76-K167 WeakPolarHBondContact OE1-CE 3.41Å; E76-K167 IonicContact OE1-NZ 3.7Å; E76-K167 PolarHBondContact OE1-NZ 2.92Å; E76-K167 IonicContact OE2-NZ 3.58Å |
| 77 | G | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 158.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K5 L6 V7 P110 | K5-G77 PolarHBondContact O-N 3.23Å; L6-G77 WeakPolarHBondContact CA-O 3.38Å; V7-G77 PolarHBondContact N-O 3.43Å; G77-P110 CarbonylContact C-O 3.48Å; G77-P110 WeakPolarHBondContact CA-O 3.44Å |
| 78 | F | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.9 | -171.2 | -54 | -95.3 | 0 | 0 | 0 | 112.5 | V7 V9 M72 I100 V109 P110 M111 V112 | V7-F78 HydrophobicContact CB-CD1 3.73Å; V7-F78 HydrophobicContact CB-CE1 3.85Å; V7-F78 HydrophobicContact CG1-CD1 4.28Å; V7-F78 HydrophobicContact CG1-CE1 4.36Å; V7-F78 HydrophobicContact CG2-CD1 4.35Å; V7-F78 HydrophobicContact CG2-CE1 3.99Å; V7-F78 CarbonylContact O-C 3.6Å; V7-F78 VanDerWaalsContact O-CA 3.28Å; V7-F78 WeakPolarHBondContact O-CA 3.31Å; V9-F78 HydrophobicContact CG1-CD1 4.35Å; M72-F78 HydrophobicContact CB-CE1 4.36Å; M72-F78 HydrophobicContact CG-CE1 4.14Å; M72-F78 WeakPolarHBondContact O-CZ 3.18Å; F78-I100 HydrophobicContact CB-CD1 3.89Å; F78-I100 HydrophobicContact CD1-CD1 3.74Å; F78-I100 HydrophobicContact CD1-CG1 4.06Å; F78-I100 HydrophobicContact CD2-CD1 4.23Å; F78-I100 HydrophobicContact CD2-CG2 3.69Å; F78-I100 HydrophobicContact CE1-CD1 4.42Å; F78-I100 HydrophobicContact CE1-CG1 4.25Å; F78-I100 HydrophobicContact CE2-CG2 3.62Å; F78-I100 HydrophobicContact CG-CD1 3.66Å; F78-I100 HydrophobicContact CG-CG1 4.24Å; F78-I100 HydrophobicContact CG-CG2 4.22Å; F78-I100 HydrophobicContact CZ-CG2 4.08Å; F78-V109 HydrophobicContact CD2-CG1 3.78Å; F78-V109 HydrophobicContact CE2-CG1 3.65Å; F78-P110 PolarHBondContact N-O 2.91Å; F78-M111 HydrophobicContact CB-CG 4.14Å; F78-M111 HydrophobicContact CD2-CG 4.41Å; F78-M111 CarbonylContact O-C 3.55Å; F78-M111 VanDerWaalsContact O-CA 3.23Å; F78-M111 WeakPolarHBondContact O-CA 3.25Å; F78-V112 PolarHBondContact O-N 2.96Å |
| 79 | L | 98.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 116.7 | 160.2 | -67.6 | -172.2 | 0 | 0 | 0 | 108 | V7 V8 V9 V81 V112 V114 A155 F156 L159 | V7-L79 PolarHBondContact O-N 3.12Å; V8-L79 HydrophobicContact CG1-CB 4.26Å; V8-L79 HydrophobicContact CG2-CD1 4.4Å; V9-L79 WeakPolarHBondContact CG2-O 3.39Å; V9-L79 PolarHBondContact N-O 2.97Å; L79-V81 HydrophobicContact CB-CG2 4.2Å; L79-V112 HydrophobicContact CD2-CB 3.76Å; L79-V112 HydrophobicContact CD2-CG1 4.25Å; L79-V112 HydrophobicContact CD2-CG2 4.41Å; L79-V114 HydrophobicContact CB-CG2 4.38Å; L79-V114 HydrophobicContact CD2-CG2 3.98Å; L79-A155 HydrophobicContact CD1-CB 4.43Å; L79-A155 HydrophobicContact CD2-CB 4.35Å; L79-F156 HydrophobicContact CD1-CD1 3.82Å; L79-F156 HydrophobicContact CD1-CD2 4.22Å; L79-F156 HydrophobicContact CD1-CE1 3.53Å; L79-F156 HydrophobicContact CD1-CE2 3.94Å; L79-F156 HydrophobicContact CD1-CG 4.16Å; L79-F156 HydrophobicContact CD1-CZ 3.59Å; L79-L159 HydrophobicContact CD2-CB 3.96Å; L79-L159 HydrophobicContact CD2-CD2 3.8Å; L79-L159 HydrophobicContact CD2-CG 4.39Å; L79-L159 HydrophobicContact CG-CD2 3.82Å |
| 80 | C | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 100.7 | 175.9 | -61.3 | 0 | 0 | 0 | 0 | 108.4 | V9 I93 V112 L113 V114 | V9-C80 HydrophobicContact CG2-CB 4.5Å; C80-I93 HydrophobicContact CB-CD1 4.1Å; C80-I93 HydrophobicContact CB-CG2 4.37Å; C80-V112 PolarHBondContact N-O 3.34Å; C80-L113 HydrophobicContact CB-CD1 4.46Å; C80-V114 PolarHBondContact O-N 3.09Å |
| 81 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 127.8 | -169.3 | -169.6 | 0 | 0 | 0 | 0 | 110.9 | V8 V9 G10 V14 K16 L19 L79 V114 N116 | V8-V81 HydrophobicContact CG1-CG2 3.61Å; V9-V81 PolarHBondContact O-N 3.31Å; G10-V81 WeakPolarHBondContact CA-O 3.5Å; V14-V81 HydrophobicContact CB-CG1 4.29Å; V14-V81 HydrophobicContact CG2-CB 3.98Å; V14-V81 HydrophobicContact CG2-CG1 3.79Å; K16-V81 HydrophobicContact CG-CB 4.25Å; K16-V81 HydrophobicContact CG-CG2 4.39Å; L19-V81 HydrophobicContact CD1-CG1 3.87Å; L19-V81 HydrophobicContact CD1-CG2 4.15Å; L79-V81 HydrophobicContact CB-CG2 4.2Å; V81-V114 WeakPolarHBondContact CA-O 3.4Å; V81-V114 HydrophobicContact CG1-CB 4.48Å; V81-V114 HydrophobicContact CG1-CG1 4.32Å; V81-V114 HydrophobicContact CG2-CB 4.17Å; V81-N116 HydrophobicContact CG1-CB 3.94Å |
| 82 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 164.2 | 163.1 | 72.1 | -85.2 | 0 | 0 | 0 | 109.4 | V84 S89 Y90 I93 L113 V114 G115 N116 V125 A130 Y141 | F82-V84 HydrophobicContact CE2-CG1 4.01Å; F82-S89 WeakPolarHBondContact CB-O 3.47Å; F82-Y90 AromaticContact CD1-CD2 3.98Å; F82-Y90 HydrophobicContact CD1-CD2 3.98Å; F82-Y90 HydrophobicContact CD2-CD2 4.02Å; F82-Y90 HydrophobicContact CD2-CG 4.34Å; F82-Y90 AromaticContact CE1-CD2 3.85Å; F82-Y90 HydrophobicContact CE1-CD2 3.85Å; F82-Y90 HydrophobicContact CE1-CE2 4.38Å; F82-Y90 AromaticContact CE2-CD2 3.91Å; F82-Y90 HydrophobicContact CE2-CD2 3.91Å; F82-Y90 HydrophobicContact CE2-CG 4.47Å; F82-Y90 HydrophobicContact CG-CD2 4.06Å; F82-Y90 AromaticContact CZ-CD2 3.83Å; F82-Y90 HydrophobicContact CZ-CD2 3.83Å; F82-Y90 HydrophobicContact CZ-CE2 4.35Å; F82-I93 HydrophobicContact CB-CD1 4.12Å; F82-I93 HydrophobicContact CB-CG1 4.15Å; F82-I93 HydrophobicContact CD1-CG1 4.3Å; F82-L113 HydrophobicContact CD1-CD1 3.84Å; F82-L113 HydrophobicContact CD1-CG 4.37Å; F82-L113 HydrophobicContact CE1-CD1 3.93Å; F82-L113 HydrophobicContact CE1-CD2 4.25Å; F82-L113 HydrophobicContact CE1-CG 3.95Å; F82-V114 VanDerWaalsContact CD1-O 3.26Å; F82-V114 WeakPolarHBondContact CD1-O 3.5Å; F82-V114 PolarHBondContact N-O 3.22Å; F82-G115 VanDerWaalsContact CZ-CA 3.46Å; F82-N116 PolarHBondContact O-N 3.25Å; F82-V125 HydrophobicContact CD2-CG2 4.39Å; F82-V125 HydrophobicContact CE2-CB 3.94Å; F82-V125 HydrophobicContact CE2-CG1 3.76Å; F82-V125 HydrophobicContact CE2-CG2 4.18Å; F82-V125 HydrophobicContact CZ-CG1 4.19Å; F82-A130 HydrophobicContact CE1-CB 4.3Å; F82-A130 HydrophobicContact CZ-CB 3.76Å; F82-Y141 AromaticContact CE1-CE2 3.89Å; F82-Y141 HydrophobicContact CE1-CE2 3.89Å; F82-Y141 AromaticContact CZ-CE2 3.96Å; F82-Y141 HydrophobicContact CZ-CE2 3.96Å |
| 83 | A | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 132.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | V14 N85 N86 S89 N116 K117 | V14-A83 HydrophobicContact CB-CB 4.26Å; V14-A83 HydrophobicContact CG1-CB 4.4Å; A83-N85 WeakPolarHBondContact CB-OD1 3.1Å; A83-N85 PolarHBondContact O-N 3.24Å; A83-N86 HydrophobicContact CB-CB 4.27Å; A83-N86 PolarHBondContact O-N 3.01Å; A83-S89 PolarHBondContact N-OG 3.07Å; A83-S89 VanDerWaalsContact N-OG 3.08Å; A83-N116 WeakPolarHBondContact CA-O 3.44Å; A83-K117 HydrophobicContact CB-CD 3.93Å; A83-K117 HydrophobicContact CB-CG 4.18Å |
| 84 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -16.3 | -175.2 | -60.2 | 0 | 0 | 0 | 0 | 113.6 | F82 N116 K117 V118 R123 S124 V125 | F82-V84 HydrophobicContact CE2-CG1 4.01Å; V84-N116 WeakPolarHBondContact CG2-O 3.33Å; V84-N116 PolarHBondContact N-O 3.22Å; V84-K117 WeakPolarHBondContact CG2-O 3.3Å; V84-V118 HydrophobicContact CG1-CG1 3.86Å; V84-V118 HydrophobicContact CG2-CG1 4.22Å; V84-R123 HydrophobicContact CB-CG 4.24Å; V84-R123 HydrophobicContact CG2-CG 4.5Å; V84-R123 CarbonylContact O-C 3.57Å; V84-R123 WeakPolarHBondContact O-CA 3.36Å; V84-S124 PolarHBondContact O-N 2.78Å; V84-S124 PolarHBondContact O-OG 3.23Å; V84-V125 PolarHBondContact O-N 2.66Å |
| 85 | N | 98.3 | Very high | 98.2 | Very high | 45 Ų | 45 | 31.6 Ų | 31.6 | 24% | 0.241 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 10.8 | 174.8 | 74.1 | -42.9 | 0 | 0 | 0 | 113.8 | A83 L120 N122 | A83-N85 WeakPolarHBondContact CB-OD1 3.1Å; A83-N85 PolarHBondContact O-N 3.24Å; N85-L120 HydrophobicContact CB-CD1 4.36Å; N85-L120 WeakPolarHBondContact ND2-CD1 3.41Å; N85-N122 WeakPolarHBondContact CA-O 3.32Å; N85-N122 WeakPolarHBondContact CB-O 3.03Å |
| 86 | N | 98 | Very high | 98.1 | Very high | 63 Ų | 63 | 31.6 Ų | 31.6 | 34% | 0.337 | 16% | 0.162 | S | C | . | . | trans | -137.2 | 96 | 178.6 | -178.9 | -17.3 | 0 | 0 | 0 | 110.4 | A83 K88 S89 Y90 S124 | A83-N86 HydrophobicContact CB-CB 4.27Å; A83-N86 PolarHBondContact O-N 3.01Å; N86-K88 VanDerWaalsContact C-N 3.34Å; N86-K88 PolarHBondContact O-N 3.41Å; N86-K88 WeakPolarHBondContact OD1-CB 3.35Å; N86-K88 PolarHBondContact OD1-N 3.46Å; N86-S89 PolarHBondContact O-N 3.3Å; N86-S89 PolarHBondContact O-OG 3.33Å; N86-S89 PolarHBondContact OD1-N 3.45Å; N86-Y90 PolarHBondContact O-N 3Å; N86-S124 PolarHBondContact N-OG 2.82Å | ||
| 87 | S | 98 | Very high | 98 | Very high | 61 Ų | 61 | 30.2 Ų | 30.2 | 43% | 0.427 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.7 | -39.7 | 179.5 | 52.7 | 0 | 0 | 0 | 0 | 113.2 | S89 Y90 D91 S124 | S87-S89 VanDerWaalsContact C-N 3.26Å; S87-S89 PolarHBondContact O-N 3.01Å; S87-Y90 WeakPolarHBondContact O-CA 3.48Å; S87-Y90 VanDerWaalsContact O-CB 3.29Å; S87-Y90 WeakPolarHBondContact O-CB 3.37Å; S87-Y90 PolarHBondContact O-N 2.93Å; S87-D91 PolarHBondContact O-N 3.37Å; S87-S124 PolarHBondContact N-OG 2.98Å; S87-S124 VanDerWaalsContact N-OG 3.13Å |
| 88 | K | 97.8 | Very high | 98 | Very high | 117 Ų | 117 | 34 Ų | 34 | 51% | 0.509 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -58.6 | -40.1 | 177.3 | 179.6 | 58.8 | 170.1 | 71.2 | 0 | 112 | N86 Y90 D91 D92 | N86-K88 VanDerWaalsContact C-N 3.34Å; N86-K88 PolarHBondContact O-N 3.41Å; N86-K88 WeakPolarHBondContact OD1-CB 3.35Å; N86-K88 PolarHBondContact OD1-N 3.46Å; K88-Y90 PolarHBondContact O-N 3.49Å; K88-D91 PolarHBondContact O-N 3Å; K88-D92 IonicContact NZ-OD1 3.09Å; K88-D92 PolarHBondContact NZ-OD1 2.86Å; K88-D92 IonicContact NZ-OD2 2.57Å; K88-D92 PolarHBondContact NZ-OD2 3.3Å; K88-D92 PolarHBondContact O-N 3.45Å |
| 89 | S | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.4 | -26.6 | 177.2 | 75.3 | 0 | 0 | 0 | 0 | 113.5 | F82 A83 N86 S87 | F82-S89 WeakPolarHBondContact CB-O 3.47Å; A83-S89 PolarHBondContact N-OG 3.07Å; A83-S89 VanDerWaalsContact N-OG 3.08Å; N86-S89 PolarHBondContact O-N 3.3Å; N86-S89 PolarHBondContact O-OG 3.33Å; N86-S89 PolarHBondContact OD1-N 3.45Å; S87-S89 VanDerWaalsContact C-N 3.26Å; S87-S89 PolarHBondContact O-N 3.01Å |
| 90 | Y | 98.7 | Very high | 97.8 | Very high | 16 Ų | 16 | 35.1 Ų | 35.1 | 6% | 0.063 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -76.4 | -43.4 | 173.7 | 170.1 | -102.7 | 0 | 0 | 0 | 111.4 | F82 N86 S87 K88 D92 I93 V125 E129 A130 L133 | F82-Y90 AromaticContact CD1-CD2 3.98Å; F82-Y90 HydrophobicContact CD1-CD2 3.98Å; F82-Y90 HydrophobicContact CD2-CD2 4.02Å; F82-Y90 HydrophobicContact CD2-CG 4.34Å; F82-Y90 AromaticContact CE1-CD2 3.85Å; F82-Y90 HydrophobicContact CE1-CD2 3.85Å; F82-Y90 HydrophobicContact CE1-CE2 4.38Å; F82-Y90 AromaticContact CE2-CD2 3.91Å; F82-Y90 HydrophobicContact CE2-CD2 3.91Å; F82-Y90 HydrophobicContact CE2-CG 4.47Å; F82-Y90 HydrophobicContact CG-CD2 4.06Å; F82-Y90 AromaticContact CZ-CD2 3.83Å; F82-Y90 HydrophobicContact CZ-CD2 3.83Å; F82-Y90 HydrophobicContact CZ-CE2 4.35Å; N86-Y90 PolarHBondContact O-N 3Å; S87-Y90 WeakPolarHBondContact O-CA 3.48Å; S87-Y90 VanDerWaalsContact O-CB 3.29Å; S87-Y90 WeakPolarHBondContact O-CB 3.37Å; S87-Y90 PolarHBondContact O-N 2.93Å; K88-Y90 PolarHBondContact O-N 3.49Å; Y90-D92 PolarHBondContact O-N 3.28Å; Y90-I93 VanDerWaalsContact O-CB 3.27Å; Y90-I93 WeakPolarHBondContact O-CB 3.23Å; Y90-I93 VanDerWaalsContact O-CG1 3.28Å; Y90-I93 WeakPolarHBondContact O-CG1 3.3Å; Y90-I93 PolarHBondContact O-N 3.41Å; Y90-I93 VanDerWaalsContact O-N 3.13Å; Y90-V125 HydrophobicContact CD1-CG1 4.09Å; Y90-V125 HydrophobicContact CD1-CG2 4.37Å; Y90-V125 HydrophobicContact CD2-CG1 3.82Å; Y90-V125 HydrophobicContact CE1-CG1 4.28Å; Y90-V125 HydrophobicContact CE2-CG1 4.03Å; Y90-V125 HydrophobicContact CG-CG1 3.83Å; Y90-V125 HydrophobicContact CG-CG2 4.05Å; Y90-E129 HydrophobicContact CE1-CG 4.37Å; Y90-E129 WeakPolarHBondContact CE1-OE1 3.2Å; Y90-E129 PolarHBondContact OH-O 2.97Å; Y90-A130 HydrophobicContact CE2-CB 4.02Å; Y90-L133 HydrophobicContact CD2-CD2 4.28Å; Y90-L133 HydrophobicContact CE1-CD2 4.47Å; Y90-L133 HydrophobicContact CE2-CB 4.37Å; Y90-L133 HydrophobicContact CE2-CD2 3.45Å; Y90-L133 VanDerWaalsContact CE2-CD2 3.45Å; Y90-L133 VanDerWaalsContact OH-CB 3.3Å; Y90-L133 WeakPolarHBondContact OH-CB 3.28Å |
| 91 | D | 97.8 | Very high | 97.7 | Very high | 100 Ų | 100 | 36.6 Ų | 36.6 | 54% | 0.535 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59 | -36.3 | 175.4 | -60.6 | -28.8 | 0 | 0 | 0 | 111.8 | S87 K88 I93 | S87-D91 PolarHBondContact O-N 3.37Å; K88-D91 PolarHBondContact O-N 3Å; D91-I93 PolarHBondContact O-N 3.04Å |
| 92 | D | 96.8 | Very high | 97.6 | Very high | 22 Ų | 22 | 44.8 Ų | 44.8 | 12% | 0.118 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -18.8 | -179.7 | -70.5 | -21.7 | 0 | 0 | 0 | 114 | K88 Y90 N94 Q95 Y96 | K88-D92 IonicContact NZ-OD1 3.09Å; K88-D92 PolarHBondContact NZ-OD1 2.86Å; K88-D92 IonicContact NZ-OD2 2.57Å; K88-D92 PolarHBondContact NZ-OD2 3.3Å; K88-D92 PolarHBondContact O-N 3.45Å; Y90-D92 PolarHBondContact O-N 3.28Å; D92-N94 PolarHBondContact O-N 2.74Å; D92-Q95 WeakPolarHBondContact O-CB 3.28Å; D92-Q95 PolarHBondContact O-N 3.09Å; D92-Y96 HydrophobicContact CB-CD2 4.48Å; D92-Y96 HydrophobicContact CB-CE2 4.31Å; D92-Y96 VanDerWaalsContact O-CD2 3.3Å; D92-Y96 WeakPolarHBondContact O-CD2 3.23Å; D92-Y96 PolarHBondContact O-N 3.3Å |
| 93 | I | 98.2 | Very high | 97.5 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.7 | -37.8 | -180 | -65.8 | -61.2 | 0 | 0 | 0 | 111.5 | C80 F82 Y90 D91 Q95 Y96 R97 L113 Y137 | C80-I93 HydrophobicContact CB-CD1 4.1Å; C80-I93 HydrophobicContact CB-CG2 4.37Å; F82-I93 HydrophobicContact CB-CD1 4.12Å; F82-I93 HydrophobicContact CB-CG1 4.15Å; F82-I93 HydrophobicContact CD1-CG1 4.3Å; Y90-I93 VanDerWaalsContact O-CB 3.27Å; Y90-I93 WeakPolarHBondContact O-CB 3.23Å; Y90-I93 VanDerWaalsContact O-CG1 3.28Å; Y90-I93 WeakPolarHBondContact O-CG1 3.3Å; Y90-I93 PolarHBondContact O-N 3.41Å; Y90-I93 VanDerWaalsContact O-N 3.13Å; D91-I93 PolarHBondContact O-N 3.04Å; I93-Q95 VanDerWaalsContact C-N 3.3Å; I93-Q95 PolarHBondContact O-N 3.43Å; I93-Y96 PolarHBondContact O-N 3.08Å; I93-R97 WeakPolarHBondContact O-CB 3.43Å; I93-R97 PolarHBondContact O-N 2.92Å; I93-L113 HydrophobicContact CB-CD1 4.45Å; I93-L113 HydrophobicContact CD1-CD1 4.18Å; I93-L113 HydrophobicContact CG1-CD1 4.01Å; I93-L113 HydrophobicContact CG2-CD1 3.69Å; I93-Y137 HydrophobicContact CG2-CE2 4.21Å |
| 94 | N | 97.5 | Very high | 97.4 | Very high | 76 Ų | 76 | 48.5 Ų | 48.5 | 41% | 0.406 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.4 | -39.7 | 179.4 | -172.6 | 67.1 | 0 | 0 | 0 | 111.6 | D92 R97 E98 Y137 | D92-N94 PolarHBondContact O-N 2.74Å; N94-R97 PolarHBondContact O-N 2.63Å; N94-E98 WeakPolarHBondContact O-CG 3.46Å; N94-E98 PolarHBondContact O-N 3.42Å; N94-Y137 VanDerWaalsContact CB-OH 3.32Å; N94-Y137 WeakPolarHBondContact CB-OH 2.87Å; N94-Y137 PolarHBondContact OD1-OH 3.25Å |
| 95 | Q | 95.4 | Very high | 97.3 | Very high | 95 Ų | 95 | 55.9 Ų | 55.9 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 177.3 | -174.9 | -174.9 | 2.1 | 0 | 0 | 111.3 | D92 I93 R97 E98 Q99 | D92-Q95 WeakPolarHBondContact O-CB 3.28Å; D92-Q95 PolarHBondContact O-N 3.09Å; I93-Q95 VanDerWaalsContact C-N 3.3Å; I93-Q95 PolarHBondContact O-N 3.43Å; Q95-R97 VanDerWaalsContact C-N 3.34Å; Q95-R97 PolarHBondContact O-N 2.88Å; Q95-E98 PolarHBondContact O-N 3.08Å; Q95-Q99 WeakPolarHBondContact O-CB 3.05Å; Q95-Q99 PolarHBondContact O-N 2.93Å |
| 96 | Y | 96.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 176 | -77.3 | -79.8 | 0 | 0 | 0 | 111.5 | V9 G10 R68 M72 D92 I93 Q99 I100 | V9-Y96 HydrophobicContact CB-CD1 3.96Å; V9-Y96 HydrophobicContact CB-CE1 4.31Å; V9-Y96 HydrophobicContact CG2-CD1 4.23Å; V9-Y96 HydrophobicContact CG2-CG 4.49Å; G10-Y96 PolarHBondContact O-OH 3.37Å; R68-Y96 PolarHBondContact NH2-OH 3.23Å; R68-Y96 VanDerWaalsContact NH2-OH 3.15Å; M72-Y96 HydrophobicContact CE-CD1 4.25Å; D92-Y96 HydrophobicContact CB-CD2 4.48Å; D92-Y96 HydrophobicContact CB-CE2 4.31Å; D92-Y96 VanDerWaalsContact O-CD2 3.3Å; D92-Y96 WeakPolarHBondContact O-CD2 3.23Å; D92-Y96 PolarHBondContact O-N 3.3Å; I93-Y96 PolarHBondContact O-N 3.08Å; Y96-Q99 PolarHBondContact O-N 3.18Å; Y96-I100 WeakPolarHBondContact O-CD1 3.44Å; Y96-I100 VanDerWaalsContact O-CG1 3.25Å; Y96-I100 WeakPolarHBondContact O-CG1 3.37Å; Y96-I100 PolarHBondContact O-N 3.45Å |
| 97 | R | 97.5 | Very high | 96.9 | Very high | 31 Ų | 31 | 58.7 Ų | 58.7 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 179.4 | 177.5 | 175.6 | 163.2 | -75.9 | -5.5 | 112 | I93 N94 Q95 Q99 I100 K101 M111 Y137 | I93-R97 WeakPolarHBondContact O-CB 3.43Å; I93-R97 PolarHBondContact O-N 2.92Å; N94-R97 PolarHBondContact O-N 2.63Å; Q95-R97 VanDerWaalsContact C-N 3.34Å; Q95-R97 PolarHBondContact O-N 2.88Å; R97-Q99 VanDerWaalsContact C-N 3.33Å; R97-Q99 PolarHBondContact O-N 3.09Å; R97-I100 PolarHBondContact O-N 2.86Å; R97-K101 HydrophobicContact CG-CD 4.41Å; R97-K101 WeakPolarHBondContact O-CG 3.48Å; R97-K101 PolarHBondContact O-N 3.02Å; R97-M111 HydrophobicContact CG-CE 3.95Å; R97-M111 HydrophobicContact CG-SD 4.03Å; R97-Y137 VanDerWaalsContact CD-CD2 3.47Å |
| 98 | E | 97 | Very high | 96.7 | Very high | 81 Ų | 81 | 60.9 Ų | 60.9 | 38% | 0.379 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66 | -37.2 | 180 | -71.4 | -57.3 | 130.9 | 0 | 0 | 111.9 | N94 Q95 K101 R102 | N94-E98 WeakPolarHBondContact O-CG 3.46Å; N94-E98 PolarHBondContact O-N 3.42Å; Q95-E98 PolarHBondContact O-N 3.08Å; E98-K101 PolarHBondContact O-N 2.87Å; E98-R102 WeakPolarHBondContact O-CB 3.46Å; E98-R102 PolarHBondContact O-N 3.09Å |
| 99 | Q | 96 | Very high | 96.7 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 11% | 0.107 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.9 | -46 | 173.7 | -168.4 | 176.7 | 1.5 | 0 | 0 | 111.8 | D69 M72 Q95 Y96 R97 K101 R102 V103 | D69-Q99 PolarHBondContact OD1-NE2 2.96Å; M72-Q99 HydrophobicContact CE-CB 4.16Å; M72-Q99 HydrophobicContact CE-CG 4.04Å; M72-Q99 HydrophobicContact SD-CB 4.04Å; M72-Q99 HydrophobicContact SD-CG 3.59Å; M72-Q99 VanDerWaalsContact SD-CG 3.59Å; Q95-Q99 WeakPolarHBondContact O-CB 3.05Å; Q95-Q99 PolarHBondContact O-N 2.93Å; Y96-Q99 PolarHBondContact O-N 3.18Å; R97-Q99 VanDerWaalsContact C-N 3.33Å; R97-Q99 PolarHBondContact O-N 3.09Å; Q99-K101 PolarHBondContact O-N 2.9Å; Q99-R102 PolarHBondContact O-N 3.05Å; Q99-V103 HydrophobicContact CG-CG2 4.42Å; Q99-V103 WeakPolarHBondContact O-CG2 3.35Å; Q99-V103 PolarHBondContact O-N 2.71Å |
| 100 | I | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.7 | -50 | 176.9 | -71.8 | 161.8 | 0 | 0 | 0 | 110.5 | V9 M72 F78 Y96 R97 R102 V103 K104 V109 M111 | V9-I100 HydrophobicContact CG2-CD1 4.12Å; M72-I100 HydrophobicContact CE-CG1 3.79Å; M72-I100 HydrophobicContact CG-CG1 3.87Å; M72-I100 HydrophobicContact SD-CB 4.44Å; M72-I100 HydrophobicContact SD-CG1 3.71Å; F78-I100 HydrophobicContact CB-CD1 3.89Å; F78-I100 HydrophobicContact CD1-CD1 3.74Å; F78-I100 HydrophobicContact CD1-CG1 4.06Å; F78-I100 HydrophobicContact CD2-CD1 4.23Å; F78-I100 HydrophobicContact CD2-CG2 3.69Å; F78-I100 HydrophobicContact CE1-CD1 4.42Å; F78-I100 HydrophobicContact CE1-CG1 4.25Å; F78-I100 HydrophobicContact CE2-CG2 3.62Å; F78-I100 HydrophobicContact CG-CD1 3.66Å; F78-I100 HydrophobicContact CG-CG1 4.24Å; F78-I100 HydrophobicContact CG-CG2 4.22Å; F78-I100 HydrophobicContact CZ-CG2 4.08Å; Y96-I100 WeakPolarHBondContact O-CD1 3.44Å; Y96-I100 VanDerWaalsContact O-CG1 3.25Å; Y96-I100 WeakPolarHBondContact O-CG1 3.37Å; Y96-I100 PolarHBondContact O-N 3.45Å; R97-I100 PolarHBondContact O-N 2.86Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 3.43Å; I100-V103 PolarHBondContact O-N 2.91Å; I100-K104 HydrophobicContact CG2-CG 4.26Å; I100-K104 VanDerWaalsContact O-CB 3.27Å; I100-K104 WeakPolarHBondContact O-CB 3.38Å; I100-K104 VanDerWaalsContact O-CG 3.31Å; I100-K104 WeakPolarHBondContact O-CG 3.24Å; I100-K104 PolarHBondContact O-N 3.19Å; I100-V109 HydrophobicContact CG2-CB 4.1Å; I100-V109 HydrophobicContact CG2-CG1 3.72Å; I100-V109 HydrophobicContact CG2-CG2 4.22Å; I100-M111 HydrophobicContact CD1-SD 4.36Å; I100-M111 HydrophobicContact CG2-SD 4.44Å |
| 101 | K | 97.9 | Very high | 96.7 | Very high | 33 Ų | 33 | 55.9 Ų | 55.9 | 14% | 0.143 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.8 | -45.3 | 179.3 | -74.5 | 180 | 60.5 | 178.8 | 0 | 112.1 | R97 E98 Q99 K104 D105 A106 D107 V109 | R97-K101 HydrophobicContact CG-CD 4.41Å; R97-K101 WeakPolarHBondContact O-CG 3.48Å; R97-K101 PolarHBondContact O-N 3.02Å; E98-K101 PolarHBondContact O-N 2.87Å; Q99-K101 PolarHBondContact O-N 2.9Å; K101-K104 PolarHBondContact O-N 2.75Å; K101-D105 PolarHBondContact O-N 3.46Å; K101-A106 WeakPolarHBondContact CB-O 3.37Å; K101-A106 PolarHBondContact O-N 2.99Å; K101-A106 VanDerWaalsContact O-N 3.16Å; K101-D107 WeakPolarHBondContact CE-O 3.3Å; K101-V109 HydrophobicContact CG-CG2 4.45Å |
| 102 | R | 97.2 | Very high | 96.8 | Very high | 172 Ų | 172 | 51.1 Ų | 51.1 | 65% | 0.649 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -62.3 | -47.4 | 177.9 | -176.4 | -177.2 | 66.8 | -168.1 | 1.8 | 111.9 | E98 Q99 I100 K104 D105 | E98-R102 WeakPolarHBondContact O-CB 3.46Å; E98-R102 PolarHBondContact O-N 3.09Å; Q99-R102 PolarHBondContact O-N 3.05Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 3.43Å; R102-K104 VanDerWaalsContact C-N 3.3Å; R102-K104 PolarHBondContact O-N 3.48Å; R102-D105 PolarHBondContact O-N 2.97Å |
| 103 | V | 96.8 | Very high | 96.9 | Very high | 20 Ų | 20 | 50.1 Ų | 50.1 | 12% | 0.121 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.9 | -34.1 | 179.6 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | D69 M72 R73 Q99 I100 D105 | D69-V103 HydrophobicContact CB-CG2 4.15Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.28Å; M72-V103 HydrophobicContact CB-CB 4Å; M72-V103 HydrophobicContact CB-CG1 3.74Å; M72-V103 HydrophobicContact CB-CG2 4.31Å; M72-V103 HydrophobicContact SD-CG2 4.35Å; R73-V103 HydrophobicContact CB-CG1 4.04Å; Q99-V103 HydrophobicContact CG-CG2 4.42Å; Q99-V103 WeakPolarHBondContact O-CG2 3.35Å; Q99-V103 PolarHBondContact O-N 2.71Å; I100-V103 PolarHBondContact O-N 2.91Å; V103-D105 VanDerWaalsContact C-N 3.32Å |
| 104 | K | 96.1 | Very high | 96.9 | Very high | 58 Ų | 58 | 50 Ų | 50 | 25% | 0.252 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -79.3 | -13 | 176.1 | -72.9 | -53 | -161.3 | -163.4 | 0 | 114.7 | M72 R73 G75 I100 K101 R102 A106 V109 | M72-K104 WeakPolarHBondContact O-CD 3.42Å; M72-K104 WeakPolarHBondContact O-CE 3.37Å; M72-K104 PolarHBondContact O-NZ 3.33Å; R73-K104 VanDerWaalsContact C-NZ 3.31Å; R73-K104 PolarHBondContact O-NZ 2.75Å; G75-K104 WeakPolarHBondContact O-CE 3.18Å; G75-K104 PolarHBondContact O-NZ 3.45Å; I100-K104 HydrophobicContact CG2-CG 4.26Å; I100-K104 VanDerWaalsContact O-CB 3.27Å; I100-K104 WeakPolarHBondContact O-CB 3.38Å; I100-K104 VanDerWaalsContact O-CG 3.31Å; I100-K104 WeakPolarHBondContact O-CG 3.24Å; I100-K104 PolarHBondContact O-N 3.19Å; K101-K104 PolarHBondContact O-N 2.75Å; R102-K104 VanDerWaalsContact C-N 3.3Å; R102-K104 PolarHBondContact O-N 3.48Å; K104-A106 VanDerWaalsContact C-N 3.25Å; K104-A106 HydrophobicContact CB-CB 4.24Å; K104-A106 PolarHBondContact O-N 3.22Å; K104-V109 HydrophobicContact CB-CG2 3.74Å; K104-V109 HydrophobicContact CG-CG1 4.04Å; K104-V109 HydrophobicContact CG-CG2 3.88Å |
| 105 | D | 96 | Very high | 97 | Very high | 155 Ų | 155 | 46.4 Ų | 46.4 | 83% | 0.829 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49 | 50.2 | -171.5 | -168.5 | 34.1 | 0 | 0 | 0 | 111.3 | K101 R102 V103 | K101-D105 PolarHBondContact O-N 3.46Å; R102-D105 PolarHBondContact O-N 2.97Å; V103-D105 VanDerWaalsContact C-N 3.32Å |
| 106 | A | 94.8 | Very high | 97.1 | Very high | 30 Ų | 30 | 42 Ų | 42 | 25% | 0.248 | 20% | 0.204 | C | C | . | . | trans | -149.3 | 137.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K101 K104 E108 V109 | K101-A106 WeakPolarHBondContact CB-O 3.37Å; K101-A106 PolarHBondContact O-N 2.99Å; K101-A106 VanDerWaalsContact O-N 3.16Å; K104-A106 VanDerWaalsContact C-N 3.25Å; K104-A106 HydrophobicContact CB-CB 4.24Å; K104-A106 PolarHBondContact O-N 3.22Å; A106-E108 VanDerWaalsContact C-N 3.35Å; A106-V109 HydrophobicContact CB-CG2 4.06Å | ||
| 107 | D | 92.5 | Very high | 97.2 | Very high | 138 Ų | 138 | 44.7 Ų | 44.7 | 74% | 0.738 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -69.8 | -32.8 | 176 | -70.7 | -46.5 | 0 | 0 | 0 | 113.2 | K101 | K101-D107 WeakPolarHBondContact CE-O 3.3Š|
| 108 | E | 94.4 | Very high | 97.3 | Very high | 106 Ų | 106 | 44.5 Ų | 44.5 | 50% | 0.495 | 22% | 0.218 | S | C | . | . | trans | -120.8 | 120.5 | 178.5 | -68.4 | 178 | -167.7 | 0 | 0 | 110 | A106 K169 | A106-E108 VanDerWaalsContact C-N 3.35Å; E108-K169 IonicContact OE1-NZ 3.02Å; E108-K169 PolarHBondContact OE1-NZ 2.92Å; E108-K169 IonicContact OE2-NZ 2.75Å; E108-K169 PolarHBondContact OE2-NZ 3.4Å | ||
| 109 | V | 98 | Very high | 97.3 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | trans | -125.4 | 137.6 | 175.3 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | F78 I100 K101 K104 A106 M111 | F78-V109 HydrophobicContact CD2-CG1 3.78Å; F78-V109 HydrophobicContact CE2-CG1 3.65Å; I100-V109 HydrophobicContact CG2-CB 4.1Å; I100-V109 HydrophobicContact CG2-CG1 3.72Å; I100-V109 HydrophobicContact CG2-CG2 4.22Å; K101-V109 HydrophobicContact CG-CG2 4.45Å; K104-V109 HydrophobicContact CB-CG2 3.74Å; K104-V109 HydrophobicContact CG-CG1 4.04Å; K104-V109 HydrophobicContact CG-CG2 3.88Å; A106-V109 HydrophobicContact CB-CG2 4.06Å; V109-M111 HydrophobicContact CB-CE 4.18Å; V109-M111 WeakPolarHBondContact O-CE 3.31Å; V109-M111 WeakPolarHBondContact O-CG 3.18Å; V109-M111 PolarHBondContact O-N 3.26Å; V109-M111 VanDerWaalsContact O-N 3.09Å | ||
| 110 | P | 98.8 | Very high | 97.3 | Very high | 12 Ų | 12 | 45 Ų | 45 | 8% | 0.078 | 22% | 0.224 | C | C | . | . | trans | -57 | 115.7 | 176.1 | -25.9 | 36.1 | 0 | 0 | 0 | 111.4 | E76 G77 F78 E162 I163 | E76-P110 WeakPolarHBondContact O-CG 3.36Å; G77-P110 CarbonylContact C-O 3.48Å; G77-P110 WeakPolarHBondContact CA-O 3.44Å; F78-P110 PolarHBondContact N-O 2.91Å; P110-E162 HydrophobicContact CB-CB 4.09Å; P110-I163 HydrophobicContact CB-CB 4.44Å; P110-I163 HydrophobicContact CB-CG1 3.68Å; P110-I163 HydrophobicContact CG-CG1 4.12Å | ||
| 111 | M | 98.9 | Very high | 97.1 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 154.8 | -178.9 | -66.1 | 178.6 | -80 | 0 | 0 | 109.9 | F78 R97 I100 V109 I139 P140 | F78-M111 HydrophobicContact CB-CG 4.14Å; F78-M111 HydrophobicContact CD2-CG 4.41Å; F78-M111 CarbonylContact O-C 3.55Å; F78-M111 VanDerWaalsContact O-CA 3.23Å; F78-M111 WeakPolarHBondContact O-CA 3.25Å; R97-M111 HydrophobicContact CG-CE 3.95Å; R97-M111 HydrophobicContact CG-SD 4.03Å; I100-M111 HydrophobicContact CD1-SD 4.36Å; I100-M111 HydrophobicContact CG2-SD 4.44Å; V109-M111 HydrophobicContact CB-CE 4.18Å; V109-M111 WeakPolarHBondContact O-CE 3.31Å; V109-M111 WeakPolarHBondContact O-CG 3.18Å; V109-M111 PolarHBondContact O-N 3.26Å; V109-M111 VanDerWaalsContact O-N 3.09Å; M111-I139 HydrophobicContact CB-CD1 4.15Å; M111-I139 HydrophobicContact CB-CG2 4.06Å; M111-P140 WeakPolarHBondContact O-CD 3.46Å |
| 112 | V | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 129.5 | 166.4 | 174.2 | 0 | 0 | 0 | 0 | 107.7 | F78 L79 C80 V114 P140 V142 K158 L159 | F78-V112 PolarHBondContact O-N 2.96Å; L79-V112 HydrophobicContact CD2-CB 3.76Å; L79-V112 HydrophobicContact CD2-CG1 4.25Å; L79-V112 HydrophobicContact CD2-CG2 4.41Å; C80-V112 PolarHBondContact N-O 3.34Å; V112-V114 HydrophobicContact CG1-CG2 4.01Å; V112-P140 HydrophobicContact CG1-CB 4.38Å; V112-P140 HydrophobicContact CG2-CB 4.29Å; V112-P140 HydrophobicContact CG2-CG 4.22Å; V112-V142 HydrophobicContact CG1-CB 4.47Å; V112-V142 HydrophobicContact CG1-CG2 3.79Å; V112-K158 HydrophobicContact CG2-CB 3.99Å; V112-L159 HydrophobicContact CG2-CB 3.91Å; V112-L159 HydrophobicContact CG2-CD1 4.12Å |
| 113 | L | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 127.9 | 171.1 | -176.8 | 61.5 | 0 | 0 | 0 | 109.1 | C80 F82 I93 A130 L133 A134 I139 P140 Y141 V142 | C80-L113 HydrophobicContact CB-CD1 4.46Å; F82-L113 HydrophobicContact CD1-CD1 3.84Å; F82-L113 HydrophobicContact CD1-CG 4.37Å; F82-L113 HydrophobicContact CE1-CD1 3.93Å; F82-L113 HydrophobicContact CE1-CD2 4.25Å; F82-L113 HydrophobicContact CE1-CG 3.95Å; I93-L113 HydrophobicContact CB-CD1 4.45Å; I93-L113 HydrophobicContact CD1-CD1 4.18Å; I93-L113 HydrophobicContact CG1-CD1 4.01Å; I93-L113 HydrophobicContact CG2-CD1 3.69Å; L113-A130 WeakPolarHBondContact CD2-O 3.48Å; L113-L133 HydrophobicContact CD2-CD2 4.24Å; L113-A134 HydrophobicContact CB-CB 4.19Å; L113-A134 HydrophobicContact CD2-CB 3.95Å; L113-I139 HydrophobicContact CB-CD1 4Å; L113-I139 HydrophobicContact CB-CG1 4.47Å; L113-P140 PolarHBondContact N-O 3.4Å; L113-Y141 HydrophobicContact CB-CD2 4.09Å; L113-Y141 HydrophobicContact CD2-CD2 3.95Å; L113-Y141 HydrophobicContact CD2-CE2 4.43Å; L113-Y141 HydrophobicContact CG-CD2 3.84Å; L113-Y141 HydrophobicContact CG-CE2 4.32Å; L113-Y141 CarbonylContact O-C 3.35Å; L113-Y141 WeakPolarHBondContact O-CA 3.26Å; L113-Y141 WeakPolarHBondContact O-CD2 3.41Å; L113-V142 PolarHBondContact O-N 2.79Å |
| 114 | V | 99 | Very high | 96.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 114.6 | -177.1 | -180 | 0 | 0 | 0 | 0 | 110.1 | L19 L79 C80 V81 F82 V112 V142 T144 A155 | L19-V114 HydrophobicContact CD1-CG1 4.01Å; L79-V114 HydrophobicContact CB-CG2 4.38Å; L79-V114 HydrophobicContact CD2-CG2 3.98Å; C80-V114 PolarHBondContact O-N 3.09Å; V81-V114 WeakPolarHBondContact CA-O 3.4Å; V81-V114 HydrophobicContact CG1-CB 4.48Å; V81-V114 HydrophobicContact CG1-CG1 4.32Å; V81-V114 HydrophobicContact CG2-CB 4.17Å; F82-V114 VanDerWaalsContact CD1-O 3.26Å; F82-V114 WeakPolarHBondContact CD1-O 3.5Å; F82-V114 PolarHBondContact N-O 3.22Å; V112-V114 HydrophobicContact CG1-CG2 4.01Å; V114-V142 WeakPolarHBondContact CA-O 3.33Å; V114-T144 HydrophobicContact CG1-CG2 3.66Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.3Å; V114-A155 HydrophobicContact CG2-CB 4.08Å |
| 115 | G | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 102.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | F82 V142 E143 T144 | F82-G115 VanDerWaalsContact CZ-CA 3.46Å; G115-V142 PolarHBondContact N-O 3Å; G115-E143 CarbonylContact O-C 3.59Å; G115-E143 WeakPolarHBondContact O-CA 3.4Å; G115-T144 PolarHBondContact O-N 3.26Å |
| 116 | N | 98.8 | Very high | 97 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.011 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 167.8 | -178.5 | -170.1 | 29.9 | 0 | 0 | 0 | 112.5 | V14 L19 V81 F82 A83 V84 T144 A146 | V14-N116 PolarHBondContact O-ND2 3.14Å; L19-N116 HydrophobicContact CD1-CB 4.25Å; V81-N116 HydrophobicContact CG1-CB 3.94Å; F82-N116 PolarHBondContact O-N 3.25Å; A83-N116 WeakPolarHBondContact CA-O 3.44Å; V84-N116 WeakPolarHBondContact CG2-O 3.33Å; V84-N116 PolarHBondContact N-O 3.22Å; N116-T144 CarbonylContact C-O 3.58Å; N116-T144 VanDerWaalsContact CA-O 3.28Å; N116-T144 WeakPolarHBondContact CA-O 3.37Å; N116-T144 WeakPolarHBondContact CA-OG1 3.31Å; N116-T144 WeakPolarHBondContact CB-OG1 3.45Å; N116-T144 PolarHBondContact OD1-O 2.77Å; N116-T144 PolarHBondContact OD1-OG1 3.15Å; N116-A146 PolarHBondContact OD1-N 3.28Å |
| 117 | K | 98.1 | Very high | 97.1 | Very high | 59 Ų | 59 | 45.5 Ų | 45.5 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | trans | 67.4 | 34.7 | 178.9 | -47.4 | -168.9 | -174.2 | -177.2 | 0 | 113.8 | G13 A83 V84 D119 L120 T144 | G13-K117 VanDerWaalsContact O-CE 3.25Å; G13-K117 WeakPolarHBondContact O-CE 3.48Å; G13-K117 PolarHBondContact O-NZ 3.29Å; A83-K117 HydrophobicContact CB-CD 3.93Å; A83-K117 HydrophobicContact CB-CG 4.18Å; V84-K117 WeakPolarHBondContact CG2-O 3.3Å; K117-D119 WeakPolarHBondContact CA-OD1 3.32Å; K117-D119 PolarHBondContact O-N 2.89Å; K117-L120 HydrophobicContact CB-CD1 3.8Å; K117-L120 HydrophobicContact CB-CG 4.08Å; K117-L120 HydrophobicContact CD-CD1 3.9Å; K117-L120 HydrophobicContact CG-CD1 4.48Å; K117-L120 WeakPolarHBondContact O-CB 3.43Å; K117-L120 PolarHBondContact O-N 2.98Å; K117-T144 PolarHBondContact N-O 3.37Å | ||
| 118 | V | 98.5 | Very high | 97.4 | Very high | 27 Ų | 27 | 44 Ų | 44 | 16% | 0.164 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -9.5 | 177.5 | -56.6 | 0 | 0 | 0 | 0 | 114.1 | V84 L120 E143 T144 | V84-V118 HydrophobicContact CG1-CG1 3.86Å; V84-V118 HydrophobicContact CG2-CG1 4.22Å; V118-L120 PolarHBondContact O-N 3.1Å; V118-E143 HydrophobicContact CG1-CB 3.86Å; V118-E143 HydrophobicContact CG1-CG 4.2Å; V118-T144 WeakPolarHBondContact CG2-O 3.44Å; V118-T144 PolarHBondContact N-O 2.63Å |
| 119 | D | 97.6 | Very high | 97.5 | Very high | 56 Ų | 56 | 43.4 Ų | 43.4 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -17.9 | 167.9 | 57.7 | -72.3 | 0 | 0 | 0 | 113.2 | K117 S145 K147 T148 | K117-D119 WeakPolarHBondContact CA-OD1 3.32Å; K117-D119 PolarHBondContact O-N 2.89Å; D119-S145 WeakPolarHBondContact CB-OG 3.21Å; D119-S145 VanDerWaalsContact OD1-CB 3.29Å; D119-S145 WeakPolarHBondContact OD1-CB 3.29Å; D119-S145 PolarHBondContact OD1-OG 3.35Å; D119-K147 WeakPolarHBondContact OD2-CD 3.43Å; D119-T148 HydrophobicContact CB-CG2 4.01Å |
| 120 | L | 96.3 | Very high | 97.5 | Very high | 59 Ų | 59 | 42.8 Ų | 42.8 | 31% | 0.309 | 23% | 0.23 | S | C | . | . | trans | -83.5 | 137.7 | 177.5 | -58.8 | -178.1 | 0 | 0 | 0 | 111.4 | N85 K117 V118 N122 | N85-L120 HydrophobicContact CB-CD1 4.36Å; N85-L120 WeakPolarHBondContact ND2-CD1 3.41Å; K117-L120 HydrophobicContact CB-CD1 3.8Å; K117-L120 HydrophobicContact CB-CG 4.08Å; K117-L120 HydrophobicContact CD-CD1 3.9Å; K117-L120 HydrophobicContact CG-CD1 4.48Å; K117-L120 WeakPolarHBondContact O-CB 3.43Å; K117-L120 PolarHBondContact O-N 2.98Å; V118-L120 PolarHBondContact O-N 3.1Å; L120-N122 WeakPolarHBondContact CB-OD1 3.27Å | ||
| 121 | T | 92.9 | Very high | 97.5 | Very high | 146 Ų | 146 | 47.1 Ų | 47.1 | 90% | 0.896 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -80.3 | -23.9 | -179.2 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | R123 | T121-R123 PolarHBondContact O-N 3.38Š|
| 122 | N | 93.4 | Very high | 97.5 | Very high | 98 Ų | 98 | 50.6 Ų | 50.6 | 52% | 0.524 | 27% | 0.272 | S | S | . | . | trans | -83.7 | 52 | -178.4 | 64.4 | -34 | 0 | 0 | 0 | 113 | N85 L120 S124 | N85-N122 WeakPolarHBondContact CA-O 3.32Å; N85-N122 WeakPolarHBondContact CB-O 3.03Å; L120-N122 WeakPolarHBondContact CB-OD1 3.27Å; N122-S124 PolarHBondContact O-N 3.42Å | ||
| 123 | R | 97.4 | Very high | 97.5 | Very high | 82 Ų | 82 | 52.1 Ų | 52.1 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | trans | -64.1 | 130.1 | 175.8 | 174.9 | 179.5 | -76.6 | -113.2 | 15.9 | 110.9 | V84 T121 V125 T127 E143 | V84-R123 HydrophobicContact CB-CG 4.24Å; V84-R123 HydrophobicContact CG2-CG 4.5Å; V84-R123 CarbonylContact O-C 3.57Å; V84-R123 WeakPolarHBondContact O-CA 3.36Å; T121-R123 PolarHBondContact O-N 3.38Å; R123-V125 WeakPolarHBondContact CD-O 3.36Å; R123-V125 WeakPolarHBondContact CG-O 3.07Å; R123-V125 PolarHBondContact NH1-O 2.95Å; R123-T127 PolarHBondContact NH1-OG1 3.5Å; R123-E143 IonicContact CZ-OE1 2.82Å; R123-E143 VanDerWaalsContact CZ-OE1 3.32Å; R123-E143 IonicContact NH1-OE1 3.27Å; R123-E143 PolarHBondContact NH1-OE1 2.89Å; R123-E143 IonicContact NH2-OE1 2.91Å; R123-E143 PolarHBondContact NH2-OE1 3.21Å; R123-E143 IonicContact NH2-OE2 3.32Å; R123-E143 PolarHBondContact NH2-OE2 3.48Å; R123-E143 VanDerWaalsContact NH2-OE2 3.09Å | ||
| 124 | S | 97.3 | Very high | 97.5 | Very high | 61 Ų | 61 | 52.2 Ų | 52.2 | 43% | 0.427 | 28% | 0.281 | S | S | . | . | trans | -109.3 | -13 | 172.6 | 64.4 | 0 | 0 | 0 | 0 | 113.4 | V84 N86 S87 N122 | V84-S124 PolarHBondContact O-N 2.78Å; V84-S124 PolarHBondContact O-OG 3.23Å; N86-S124 PolarHBondContact N-OG 2.82Å; S87-S124 PolarHBondContact N-OG 2.98Å; S87-S124 VanDerWaalsContact N-OG 3.13Å; N122-S124 PolarHBondContact O-N 3.42Å | ||
| 125 | V | 97.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -116.1 | 119.5 | 178.6 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | F82 V84 Y90 R123 A130 | F82-V125 HydrophobicContact CD2-CG2 4.39Å; F82-V125 HydrophobicContact CE2-CB 3.94Å; F82-V125 HydrophobicContact CE2-CG1 3.76Å; F82-V125 HydrophobicContact CE2-CG2 4.18Å; F82-V125 HydrophobicContact CZ-CG1 4.19Å; V84-V125 PolarHBondContact O-N 2.66Å; Y90-V125 HydrophobicContact CD1-CG1 4.09Å; Y90-V125 HydrophobicContact CD1-CG2 4.37Å; Y90-V125 HydrophobicContact CD2-CG1 3.82Å; Y90-V125 HydrophobicContact CE1-CG1 4.28Å; Y90-V125 HydrophobicContact CE2-CG1 4.03Å; Y90-V125 HydrophobicContact CG-CG1 3.83Å; Y90-V125 HydrophobicContact CG-CG2 4.05Å; R123-V125 WeakPolarHBondContact CD-O 3.36Å; R123-V125 WeakPolarHBondContact CG-O 3.07Å; R123-V125 PolarHBondContact NH1-O 2.95Å; V125-A130 HydrophobicContact CG1-CB 4.34Å |
| 126 | C | 96.3 | Very high | 97.4 | Very high | 61 Ų | 61 | 63.6 Ų | 63.6 | 41% | 0.412 | 34% | 0.343 | S | S | . | . | trans | -70.7 | 143.7 | -178 | -173 | 0 | 0 | 0 | 0 | 111.4 | E128 E129 A130 | C126-E128 VanDerWaalsContact C-N 3.28Å; C126-E128 PolarHBondContact O-N 3.31Å; C126-E128 PolarHBondContact SG-OE2 3.32Å; C126-E129 HydrophobicContact CB-CB 4.05Å; C126-E129 WeakPolarHBondContact O-CB 2.87Å; C126-E129 PolarHBondContact O-N 3.39Å; C126-A130 PolarHBondContact O-N 3.09Å; C126-A130 VanDerWaalsContact O-N 3.1Å | ||
| 127 | T | 97.3 | Very high | 97.4 | Very high | 28 Ų | 28 | 65.1 Ų | 65.1 | 17% | 0.172 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.6 | -41.8 | 178 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | R123 E129 A130 K131 Y141 E143 | R123-T127 PolarHBondContact NH1-OG1 3.5Å; T127-E129 VanDerWaalsContact C-N 3.34Å; T127-A130 PolarHBondContact O-N 2.9Å; T127-K131 HydrophobicContact CG2-CD 4.09Å; T127-K131 VanDerWaalsContact CG2-CE 3.47Å; T127-K131 HydrophobicContact CG2-CG 4.48Å; T127-K131 WeakPolarHBondContact O-CB 3.36Å; T127-K131 VanDerWaalsContact O-CG 3.28Å; T127-K131 WeakPolarHBondContact O-CG 3.36Å; T127-K131 PolarHBondContact O-N 3.17Å; T127-Y141 HydrophobicContact CG2-CE1 4.3Å; T127-E143 WeakPolarHBondContact CG2-OE1 3.49Å; T127-E143 PolarHBondContact OG1-OE1 2.95Å |
| 128 | E | 97.8 | Very high | 97.3 | Very high | 107 Ų | 107 | 67.4 Ų | 67.4 | 50% | 0.5 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.7 | -34.6 | -178.4 | -76.2 | 52.8 | -120.5 | 0 | 0 | 111.9 | C126 K131 S132 | C126-E128 VanDerWaalsContact C-N 3.28Å; C126-E128 PolarHBondContact O-N 3.31Å; C126-E128 PolarHBondContact SG-OE2 3.32Å; E128-K131 IonicContact OE1-NZ 3.34Å; E128-K131 PolarHBondContact OE1-NZ 3.14Å; E128-S132 WeakPolarHBondContact O-CB 3.2Å; E128-S132 PolarHBondContact O-N 2.92Å; E128-S132 PolarHBondContact O-OG 3.38Å |
| 129 | E | 97.2 | Very high | 97.3 | Very high | 94 Ų | 94 | 67.1 Ų | 67.1 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.4 | -50.5 | 175 | -168.8 | -170.6 | 166.4 | 0 | 0 | 110.6 | Y90 C126 T127 K131 S132 L133 | Y90-E129 HydrophobicContact CE1-CG 4.37Å; Y90-E129 WeakPolarHBondContact CE1-OE1 3.2Å; Y90-E129 PolarHBondContact OH-O 2.97Å; C126-E129 HydrophobicContact CB-CB 4.05Å; C126-E129 WeakPolarHBondContact O-CB 2.87Å; C126-E129 PolarHBondContact O-N 3.39Å; T127-E129 VanDerWaalsContact C-N 3.34Å; E129-K131 PolarHBondContact O-N 3.42Å; E129-S132 WeakPolarHBondContact O-CB 3.34Å; E129-S132 PolarHBondContact O-N 2.84Å; E129-S132 VanDerWaalsContact O-N 3.09Å; E129-L133 PolarHBondContact O-N 3.27Å |
| 130 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F82 Y90 L113 V125 C126 T127 S132 L133 A134 Y141 | F82-A130 HydrophobicContact CE1-CB 4.3Å; F82-A130 HydrophobicContact CZ-CB 3.76Å; Y90-A130 HydrophobicContact CE2-CB 4.02Å; L113-A130 WeakPolarHBondContact CD2-O 3.48Å; V125-A130 HydrophobicContact CG1-CB 4.34Å; C126-A130 PolarHBondContact O-N 3.09Å; C126-A130 VanDerWaalsContact O-N 3.1Å; T127-A130 PolarHBondContact O-N 2.9Å; A130-S132 VanDerWaalsContact C-N 3.34Å; A130-L133 PolarHBondContact O-N 3.16Å; A130-A134 PolarHBondContact O-N 2.9Å; A130-Y141 HydrophobicContact CB-CD2 4.3Å; A130-Y141 HydrophobicContact CB-CE1 4.12Å; A130-Y141 HydrophobicContact CB-CE2 3.67Å |
| 131 | K | 98.6 | Very high | 97.5 | Very high | 102 Ų | 102 | 64.4 Ų | 64.4 | 44% | 0.443 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 171.3 | -77.3 | 172.3 | -177 | 162.4 | 0 | 111.8 | T127 E128 E129 A134 H135 Y141 | T127-K131 HydrophobicContact CG2-CD 4.09Å; T127-K131 VanDerWaalsContact CG2-CE 3.47Å; T127-K131 HydrophobicContact CG2-CG 4.48Å; T127-K131 WeakPolarHBondContact O-CB 3.36Å; T127-K131 VanDerWaalsContact O-CG 3.28Å; T127-K131 WeakPolarHBondContact O-CG 3.36Å; T127-K131 PolarHBondContact O-N 3.17Å; E128-K131 IonicContact OE1-NZ 3.34Å; E128-K131 PolarHBondContact OE1-NZ 3.14Å; E129-K131 PolarHBondContact O-N 3.42Å; K131-A134 PolarHBondContact O-N 2.86Å; K131-H135 WeakPolarHBondContact O-CB 3.25Å; K131-H135 PolarHBondContact O-N 2.96Å; K131-Y141 HydrophobicContact CG-CD1 3.58Å; K131-Y141 HydrophobicContact CG-CE1 4.09Å; K131-Y141 HydrophobicContact CG-CG 4.47Å |
| 132 | S | 98.5 | Very high | 97.8 | Very high | 78 Ų | 78 | 57.8 Ų | 57.8 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 179.2 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | E128 E129 A130 H135 S136 | E128-S132 WeakPolarHBondContact O-CB 3.2Å; E128-S132 PolarHBondContact O-N 2.92Å; E128-S132 PolarHBondContact O-OG 3.38Å; E129-S132 WeakPolarHBondContact O-CB 3.34Å; E129-S132 PolarHBondContact O-N 2.84Å; E129-S132 VanDerWaalsContact O-N 3.09Å; A130-S132 VanDerWaalsContact C-N 3.34Å; S132-H135 PolarHBondContact O-N 3.38Å; S132-S136 PolarHBondContact O-N 2.97Å |
| 133 | L | 98.3 | Very high | 98.1 | Very high | 33 Ų | 33 | 55.3 Ų | 55.3 | 17% | 0.173 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.1 | -46.9 | 173.7 | -173.6 | 70 | 0 | 0 | 0 | 112.1 | Y90 L113 E129 A130 H135 S136 Y137 | Y90-L133 HydrophobicContact CD2-CD2 4.28Å; Y90-L133 HydrophobicContact CE1-CD2 4.47Å; Y90-L133 HydrophobicContact CE2-CB 4.37Å; Y90-L133 HydrophobicContact CE2-CD2 3.45Å; Y90-L133 VanDerWaalsContact CE2-CD2 3.45Å; Y90-L133 VanDerWaalsContact OH-CB 3.3Å; Y90-L133 WeakPolarHBondContact OH-CB 3.28Å; L113-L133 HydrophobicContact CD2-CD2 4.24Å; E129-L133 PolarHBondContact O-N 3.27Å; A130-L133 PolarHBondContact O-N 3.16Å; L133-H135 VanDerWaalsContact C-N 3.26Å; L133-H135 PolarHBondContact O-N 3.15Å; L133-S136 PolarHBondContact O-N 3.01Å; L133-S136 PolarHBondContact O-OG 3.33Å; L133-Y137 HydrophobicContact CD1-CD2 4.44Å; L133-Y137 HydrophobicContact CD1-CE1 4.04Å; L133-Y137 HydrophobicContact CD1-CE2 3.74Å; L133-Y137 HydrophobicContact CD2-CE2 3.9Å; L133-Y137 HydrophobicContact CG-CD2 4.06Å; L133-Y137 HydrophobicContact CG-CE2 3.59Å; L133-Y137 PolarHBondContact O-N 3.33Å |
| 134 | A | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.9 | -38.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L113 A130 K131 Y137 N138 I139 | L113-A134 HydrophobicContact CB-CB 4.19Å; L113-A134 HydrophobicContact CD2-CB 3.95Å; A130-A134 PolarHBondContact O-N 2.9Å; K131-A134 PolarHBondContact O-N 2.86Å; A134-Y137 CarbonylContact O-C 3.56Å; A134-Y137 PolarHBondContact O-N 2.88Å; A134-N138 PolarHBondContact O-N 3.13Å; A134-I139 CarbonylContact C-O 3.58Å; A134-I139 HydrophobicContact CB-CG1 4.25Å; A134-I139 PolarHBondContact O-N 3.2Å |
| 135 | H | 98.5 | Very high | 98.2 | Very high | 156 Ų | 156 | 48.5 Ų | 48.5 | 72% | 0.722 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.4 | -45.2 | 174.7 | -174.1 | 72.2 | 0 | 0 | 0 | 112.1 | K131 S132 L133 Y137 N138 | K131-H135 WeakPolarHBondContact O-CB 3.25Å; K131-H135 PolarHBondContact O-N 2.96Å; S132-H135 PolarHBondContact O-N 3.38Å; L133-H135 VanDerWaalsContact C-N 3.26Å; L133-H135 PolarHBondContact O-N 3.15Å; H135-Y137 PolarHBondContact O-N 2.97Å; H135-N138 PolarHBondContact O-N 3.03Å |
| 136 | S | 98 | Very high | 98.2 | Very high | 83 Ų | 83 | 48.5 Ų | 48.5 | 58% | 0.58 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -64.6 | -29.4 | 177.6 | 78.1 | 0 | 0 | 0 | 0 | 112.5 | S132 L133 N138 | S132-S136 PolarHBondContact O-N 2.97Å; L133-S136 PolarHBondContact O-N 3.01Å; L133-S136 PolarHBondContact O-OG 3.33Å; S136-N138 VanDerWaalsContact C-N 3.33Å |
| 137 | Y | 97.9 | Very high | 98.3 | Very high | 33 Ų | 33 | 51.1 Ų | 51.1 | 13% | 0.129 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -7.9 | 172.5 | -66.8 | -15.2 | 0 | 0 | 0 | 114.3 | I93 N94 R97 L133 A134 H135 I139 | I93-Y137 HydrophobicContact CG2-CE2 4.21Å; N94-Y137 VanDerWaalsContact CB-OH 3.32Å; N94-Y137 WeakPolarHBondContact CB-OH 2.87Å; N94-Y137 PolarHBondContact OD1-OH 3.25Å; R97-Y137 VanDerWaalsContact CD-CD2 3.47Å; L133-Y137 HydrophobicContact CD1-CD2 4.44Å; L133-Y137 HydrophobicContact CD1-CE1 4.04Å; L133-Y137 HydrophobicContact CD1-CE2 3.74Å; L133-Y137 HydrophobicContact CD2-CE2 3.9Å; L133-Y137 HydrophobicContact CG-CD2 4.06Å; L133-Y137 HydrophobicContact CG-CE2 3.59Å; L133-Y137 PolarHBondContact O-N 3.33Å; A134-Y137 CarbonylContact O-C 3.56Å; A134-Y137 PolarHBondContact O-N 2.88Å; H135-Y137 PolarHBondContact O-N 2.97Å; Y137-I139 VanDerWaalsContact C-N 3.33Å; Y137-I139 HydrophobicContact CD2-CD1 4.16Å |
| 138 | N | 97.7 | Very high | 98.3 | Very high | 107 Ų | 107 | 53.7 Ų | 53.7 | 57% | 0.572 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 44 | -173.9 | -171.4 | 34.7 | 0 | 0 | 0 | 112.9 | A134 H135 S136 | A134-N138 PolarHBondContact O-N 3.13Å; H135-N138 PolarHBondContact O-N 3.03Å; S136-N138 VanDerWaalsContact C-N 3.33Å |
| 139 | I | 98.6 | Very high | 98.3 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 11% | 0.108 | 27% | 0.272 | C | S | . | . | trans | -128.6 | 156.4 | 178.3 | 65.4 | 179 | 0 | 0 | 0 | 111.1 | M111 L113 A134 Y137 | M111-I139 HydrophobicContact CB-CD1 4.15Å; M111-I139 HydrophobicContact CB-CG2 4.06Å; L113-I139 HydrophobicContact CB-CD1 4Å; L113-I139 HydrophobicContact CB-CG1 4.47Å; A134-I139 CarbonylContact C-O 3.58Å; A134-I139 HydrophobicContact CB-CG1 4.25Å; A134-I139 PolarHBondContact O-N 3.2Å; Y137-I139 VanDerWaalsContact C-N 3.33Å; Y137-I139 HydrophobicContact CD2-CD1 4.16Å | ||
| 140 | P | 98.8 | Very high | 98.4 | Very high | 24 Ų | 24 | 54.2 Ų | 54.2 | 16% | 0.156 | 27% | 0.274 | C | S | . | . | trans | -65.6 | 146.7 | 172.9 | -19.4 | 32.8 | 0 | 0 | 0 | 112.1 | M111 V112 L113 K158 E162 | M111-P140 WeakPolarHBondContact O-CD 3.46Å; V112-P140 HydrophobicContact CG1-CB 4.38Å; V112-P140 HydrophobicContact CG2-CB 4.29Å; V112-P140 HydrophobicContact CG2-CG 4.22Å; L113-P140 PolarHBondContact N-O 3.4Å; P140-K158 HydrophobicContact CB-CB 4.49Å; P140-K158 HydrophobicContact CB-CD 4.26Å; P140-E162 HydrophobicContact CG-CG 3.76Å | ||
| 141 | Y | 98.8 | Very high | 98.4 | Very high | 34 Ų | 34 | 55.3 Ų | 55.3 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 139.2 | 165.4 | 177.5 | -121.6 | 0 | 0 | 0 | 110.3 | F82 L113 T127 A130 K131 E143 | F82-Y141 AromaticContact CE1-CE2 3.89Å; F82-Y141 HydrophobicContact CE1-CE2 3.89Å; F82-Y141 AromaticContact CZ-CE2 3.96Å; F82-Y141 HydrophobicContact CZ-CE2 3.96Å; L113-Y141 HydrophobicContact CB-CD2 4.09Å; L113-Y141 HydrophobicContact CD2-CD2 3.95Å; L113-Y141 HydrophobicContact CD2-CE2 4.43Å; L113-Y141 HydrophobicContact CG-CD2 3.84Å; L113-Y141 HydrophobicContact CG-CE2 4.32Å; L113-Y141 CarbonylContact O-C 3.35Å; L113-Y141 WeakPolarHBondContact O-CA 3.26Å; L113-Y141 WeakPolarHBondContact O-CD2 3.41Å; T127-Y141 HydrophobicContact CG2-CE1 4.3Å; A130-Y141 HydrophobicContact CB-CD2 4.3Å; A130-Y141 HydrophobicContact CB-CE1 4.12Å; A130-Y141 HydrophobicContact CB-CE2 3.67Å; K131-Y141 HydrophobicContact CG-CD1 3.58Å; K131-Y141 HydrophobicContact CG-CE1 4.09Å; K131-Y141 HydrophobicContact CG-CG 4.47Å; Y141-E143 HydrophobicContact CD1-CG 4.46Å; Y141-E143 HydrophobicContact CE1-CG 3.46Å; Y141-E143 VanDerWaalsContact CE1-CG 3.46Å; Y141-E143 VanDerWaalsContact OH-CG 3.25Å; Y141-E143 WeakPolarHBondContact OH-CG 3.28Å; Y141-E143 PolarHBondContact OH-OE1 2.77Å |
| 142 | V | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 130.2 | 174.1 | -172.1 | 0 | 0 | 0 | 0 | 109.7 | V112 L113 V114 G115 T144 D154 A155 K158 | V112-V142 HydrophobicContact CG1-CB 4.47Å; V112-V142 HydrophobicContact CG1-CG2 3.79Å; L113-V142 PolarHBondContact O-N 2.79Å; V114-V142 WeakPolarHBondContact CA-O 3.33Å; G115-V142 PolarHBondContact N-O 3Å; V142-T144 HydrophobicContact CG1-CG2 3.84Å; V142-D154 HydrophobicContact CG1-CB 4.45Å; V142-A155 HydrophobicContact CB-CB 4.28Å; V142-A155 HydrophobicContact CG1-CB 4.16Å; V142-A155 HydrophobicContact CG2-CB 4.46Å; V142-K158 HydrophobicContact CG2-CD 3.29Å |
| 143 | E | 98.8 | Very high | 98.4 | Very high | 46 Ų | 46 | 50 Ų | 50 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 132 | 167.6 | -71.4 | -154.5 | 154.5 | 0 | 0 | 110.1 | G115 V118 R123 T127 Y141 | G115-E143 CarbonylContact O-C 3.59Å; G115-E143 WeakPolarHBondContact O-CA 3.4Å; V118-E143 HydrophobicContact CG1-CB 3.86Å; V118-E143 HydrophobicContact CG1-CG 4.2Å; R123-E143 IonicContact CZ-OE1 2.82Å; R123-E143 VanDerWaalsContact CZ-OE1 3.32Å; R123-E143 IonicContact NH1-OE1 3.27Å; R123-E143 PolarHBondContact NH1-OE1 2.89Å; R123-E143 IonicContact NH2-OE1 2.91Å; R123-E143 PolarHBondContact NH2-OE1 3.21Å; R123-E143 IonicContact NH2-OE2 3.32Å; R123-E143 PolarHBondContact NH2-OE2 3.48Å; R123-E143 VanDerWaalsContact NH2-OE2 3.09Å; T127-E143 WeakPolarHBondContact CG2-OE1 3.49Å; T127-E143 PolarHBondContact OG1-OE1 2.95Å; Y141-E143 HydrophobicContact CD1-CG 4.46Å; Y141-E143 HydrophobicContact CE1-CG 3.46Å; Y141-E143 VanDerWaalsContact CE1-CG 3.46Å; Y141-E143 VanDerWaalsContact OH-CG 3.25Å; Y141-E143 WeakPolarHBondContact OH-CG 3.28Å; Y141-E143 PolarHBondContact OH-OE1 2.77Å |
| 144 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -132.4 | 150.1 | -175.3 | 60.7 | 0 | 0 | 0 | 0 | 111.9 | L19 V114 G115 N116 K117 V118 V142 Q150 A155 | L19-T144 HydrophobicContact CD2-CG2 4.37Å; V114-T144 HydrophobicContact CG1-CG2 3.66Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.3Å; G115-T144 PolarHBondContact O-N 3.26Å; N116-T144 CarbonylContact C-O 3.58Å; N116-T144 VanDerWaalsContact CA-O 3.28Å; N116-T144 WeakPolarHBondContact CA-O 3.37Å; N116-T144 WeakPolarHBondContact CA-OG1 3.31Å; N116-T144 WeakPolarHBondContact CB-OG1 3.45Å; N116-T144 PolarHBondContact OD1-O 2.77Å; N116-T144 PolarHBondContact OD1-OG1 3.15Å; K117-T144 PolarHBondContact N-O 3.37Å; V118-T144 WeakPolarHBondContact CG2-O 3.44Å; V118-T144 PolarHBondContact N-O 2.63Å; V142-T144 HydrophobicContact CG1-CG2 3.84Å; T144-Q150 CarbonylContact C-O 3.56Å; T144-Q150 WeakPolarHBondContact CA-O 3.28Å; T144-A155 HydrophobicContact CG2-CB 4.16Å | ||
| 145 | S | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -129.2 | 111.8 | 159.8 | 171.8 | 0 | 0 | 0 | 0 | 107.4 | D119 K147 T148 R149 Q150 | D119-S145 WeakPolarHBondContact CB-OG 3.21Å; D119-S145 VanDerWaalsContact OD1-CB 3.29Å; D119-S145 WeakPolarHBondContact OD1-CB 3.29Å; D119-S145 PolarHBondContact OD1-OG 3.35Å; S145-K147 PolarHBondContact O-N 2.95Å; S145-K147 PolarHBondContact OG-N 3.39Å; S145-T148 VanDerWaalsContact CB-OG1 3.24Å; S145-T148 WeakPolarHBondContact CB-OG1 3.24Å; S145-T148 PolarHBondContact O-N 3.29Å; S145-T148 PolarHBondContact OG-N 3.27Å; S145-T148 PolarHBondContact OG-OG1 3Å; S145-R149 CarbonylContact O-C 3.56Å; S145-R149 VanDerWaalsContact O-CA 3.31Å; S145-R149 WeakPolarHBondContact O-CA 3.41Å; S145-R149 PolarHBondContact O-N 2.98Å; S145-Q150 PolarHBondContact N-O 3.11Å; S145-Q150 PolarHBondContact O-N 2.81Å | ||
| 146 | A | 98.3 | Very high | 98.4 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -36.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111 | A18 L19 Q22 F28 N116 | A18-A146 HydrophobicContact CB-CB 3.65Å; L19-A146 HydrophobicContact CD2-CB 3.98Å; L19-A146 HydrophobicContact CG-CB 4.26Å; Q22-A146 WeakPolarHBondContact CG-O 3.46Å; Q22-A146 PolarHBondContact NE2-O 2.73Å; F28-A146 HydrophobicContact CD2-CB 4.02Å; F28-A146 HydrophobicContact CE2-CB 4.05Å; N116-A146 PolarHBondContact OD1-N 3.28Å |
| 147 | K | 97.6 | Very high | 98.4 | Very high | 115 Ų | 115 | 41.6 Ų | 41.6 | 50% | 0.5 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -47.9 | -179.4 | -172.3 | 176.3 | -174.7 | 173.1 | 0 | 112.9 | F28 D119 S145 | F28-K147 HydrophobicContact CD1-CB 4.38Å; F28-K147 HydrophobicContact CD1-CG 4.12Å; F28-K147 HydrophobicContact CD2-CB 4.28Å; F28-K147 HydrophobicContact CE1-CB 4.22Å; F28-K147 HydrophobicContact CE1-CD 4.46Å; F28-K147 HydrophobicContact CE1-CG 4.05Å; F28-K147 HydrophobicContact CE2-CB 4.14Å; F28-K147 HydrophobicContact CG-CB 4.4Å; F28-K147 HydrophobicContact CZ-CB 4.11Å; F28-K147 HydrophobicContact CZ-CG 4.41Å; D119-K147 WeakPolarHBondContact OD2-CD 3.43Å; S145-K147 PolarHBondContact O-N 2.95Å; S145-K147 PolarHBondContact OG-N 3.39Å |
| 148 | T | 97.7 | Very high | 98.5 | Very high | 82 Ų | 82 | 43 Ų | 43 | 50% | 0.503 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 0.7 | -177 | 70 | 0 | 0 | 0 | 0 | 113.7 | D119 S145 Q150 | D119-T148 HydrophobicContact CB-CG2 4.01Å; S145-T148 VanDerWaalsContact CB-OG1 3.24Å; S145-T148 WeakPolarHBondContact CB-OG1 3.24Å; S145-T148 PolarHBondContact O-N 3.29Å; S145-T148 PolarHBondContact OG-N 3.27Å; S145-T148 PolarHBondContact OG-OG1 3Å; T148-Q150 PolarHBondContact O-N 2.85Å; T148-Q150 VanDerWaalsContact O-N 3.15Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.41Å; T148-Q150 PolarHBondContact OG1-N 3.33Å |
| 149 | R | 97.5 | Very high | 98.5 | Very high | 110 Ų | 110 | 37.9 Ų | 37.9 | 42% | 0.415 | 19% | 0.186 | S | C | . | . | trans | 66.8 | -1 | -172.9 | -165.7 | 176 | 171.3 | 179.8 | -1.1 | 114.5 | Q22 N26 S145 G151 V152 E153 | Q22-R149 HydrophobicContact CG-CB 4.33Å; Q22-R149 HydrophobicContact CG-CG 4.21Å; N26-R149 PolarHBondContact OD1-NH1 2.69Å; N26-R149 PolarHBondContact OD1-NH2 2.93Å; S145-R149 CarbonylContact O-C 3.56Å; S145-R149 VanDerWaalsContact O-CA 3.31Å; S145-R149 WeakPolarHBondContact O-CA 3.41Å; S145-R149 PolarHBondContact O-N 2.98Å; R149-G151 PolarHBondContact O-N 2.72Å; R149-V152 PolarHBondContact O-N 3.08Å; R149-E153 IonicContact CZ-OE1 2.66Å; R149-E153 IonicContact NE-OE1 2.78Å; R149-E153 IonicContact NH2-OE1 3.01Å; R149-E153 PolarHBondContact NH2-OE1 3.08Å | ||
| 150 | Q | 98.5 | Very high | 98.5 | Very high | 103 Ų | 103 | 36.9 Ų | 36.9 | 48% | 0.481 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 129.9 | 178.3 | 178.4 | -179.7 | -24.2 | 0 | 0 | 111 | T144 S145 T148 V152 | T144-Q150 CarbonylContact C-O 3.56Å; T144-Q150 WeakPolarHBondContact CA-O 3.28Å; S145-Q150 PolarHBondContact N-O 3.11Å; S145-Q150 PolarHBondContact O-N 2.81Å; T148-Q150 PolarHBondContact O-N 2.85Å; T148-Q150 VanDerWaalsContact O-N 3.15Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.41Å; T148-Q150 PolarHBondContact OG1-N 3.33Å; Q150-V152 PolarHBondContact O-N 2.83Å |
| 151 | G | 98.5 | Very high | 98.5 | Very high | 22 Ų | 22 | 40 Ų | 40 | 23% | 0.227 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | -5.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | R149 D154 A155 | R149-G151 PolarHBondContact O-N 2.72Å; G151-D154 PolarHBondContact O-N 2.69Å; G151-A155 PolarHBondContact O-N 2.97Å |
| 152 | V | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59 | -56.7 | -174.2 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | L19 Q22 L23 R149 Q150 D154 A155 F156 | L19-V152 HydrophobicContact CD2-CG2 3.78Å; Q22-V152 HydrophobicContact CG-CG1 4.43Å; Q22-V152 HydrophobicContact CG-CG2 4.16Å; L23-V152 HydrophobicContact CB-CG1 4Å; L23-V152 HydrophobicContact CD1-CG1 4.3Å; R149-V152 PolarHBondContact O-N 3.08Å; Q150-V152 PolarHBondContact O-N 2.83Å; V152-D154 VanDerWaalsContact C-N 3.32Å; V152-D154 PolarHBondContact O-N 2.94Å; V152-A155 PolarHBondContact O-N 2.92Å; V152-F156 HydrophobicContact CG1-CD2 4.47Å; V152-F156 HydrophobicContact CG1-CE2 4.23Å; V152-F156 VanDerWaalsContact O-CD2 3.24Å; V152-F156 WeakPolarHBondContact O-CD2 3.47Å |
| 153 | E | 98.3 | Very high | 98.5 | Very high | 67 Ų | 67 | 40 Ų | 40 | 31% | 0.313 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.5 | -38.1 | 178.6 | -71.2 | -177.3 | -169.9 | 0 | 0 | 112.6 | L23 M44 R149 A155 F156 H157 | L23-E153 HydrophobicContact CD1-CG 3.82Å; M44-E153 HydrophobicContact CE-CG 4.34Å; R149-E153 IonicContact CZ-OE1 2.66Å; R149-E153 IonicContact NE-OE1 2.78Å; R149-E153 IonicContact NH2-OE1 3.01Å; R149-E153 PolarHBondContact NH2-OE1 3.08Å; E153-A155 VanDerWaalsContact C-N 3.32Å; E153-A155 PolarHBondContact O-N 3.38Å; E153-F156 PolarHBondContact O-N 3.42Å; E153-H157 WeakPolarHBondContact O-CB 3.25Å; E153-H157 PolarHBondContact O-CD2 3.05Å; E153-H157 VanDerWaalsContact O-CD2 3.28Å; E153-H157 VanDerWaalsContact O-CG 3.23Å; E153-H157 PolarHBondContact O-N 3.35Å |
| 154 | D | 98.7 | Very high | 98.5 | Very high | 65 Ų | 65 | 39.5 Ų | 39.5 | 35% | 0.348 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.8 | -38 | -180 | -173.2 | 43.4 | 0 | 0 | 0 | 112.1 | V142 G151 V152 H157 K158 | V142-D154 HydrophobicContact CG1-CB 4.45Å; G151-D154 PolarHBondContact O-N 2.69Å; V152-D154 VanDerWaalsContact C-N 3.32Å; V152-D154 PolarHBondContact O-N 2.94Å; D154-H157 PolarHBondContact O-N 2.95Å; D154-K158 VanDerWaalsContact O-CB 3.31Å; D154-K158 WeakPolarHBondContact O-CB 3.41Å; D154-K158 WeakPolarHBondContact O-CG 3.46Å; D154-K158 PolarHBondContact O-N 3.28Å; D154-K158 WeakPolarHBondContact OD1-CE 3.48Å; D154-K158 WeakPolarHBondContact OD2-CE 3.38Å |
| 155 | A | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.4 | -50.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L79 V114 V142 T144 G151 V152 E153 L159 | L79-A155 HydrophobicContact CD1-CB 4.43Å; L79-A155 HydrophobicContact CD2-CB 4.35Å; V114-A155 HydrophobicContact CG2-CB 4.08Å; V142-A155 HydrophobicContact CB-CB 4.28Å; V142-A155 HydrophobicContact CG1-CB 4.16Å; V142-A155 HydrophobicContact CG2-CB 4.46Å; T144-A155 HydrophobicContact CG2-CB 4.16Å; G151-A155 PolarHBondContact O-N 2.97Å; V152-A155 PolarHBondContact O-N 2.92Å; E153-A155 VanDerWaalsContact C-N 3.32Å; E153-A155 PolarHBondContact O-N 3.38Å; A155-L159 PolarHBondContact O-N 2.98Å; A155-L159 VanDerWaalsContact O-N 3.09Å |
| 156 | F | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.3 | -38.3 | 178.9 | -69.9 | -85.4 | 0 | 0 | 0 | 112.1 | L6 V8 L23 L53 I55 L79 V152 E153 L159 V160 | L6-F156 HydrophobicContact CD1-CD1 3.85Å; V8-F156 HydrophobicContact CG2-CE1 4.27Å; V8-F156 HydrophobicContact CG2-CZ 4.41Å; L23-F156 HydrophobicContact CB-CD2 4.31Å; L23-F156 HydrophobicContact CB-CE2 4.02Å; L23-F156 HydrophobicContact CD1-CD2 3.94Å; L23-F156 HydrophobicContact CD1-CE2 4.49Å; L23-F156 HydrophobicContact CD1-CG 4.47Å; L23-F156 HydrophobicContact CD2-CB 4.21Å; L23-F156 HydrophobicContact CD2-CD1 3.86Å; L23-F156 HydrophobicContact CD2-CD2 3.55Å; L23-F156 HydrophobicContact CD2-CE1 4.07Å; L23-F156 HydrophobicContact CD2-CE2 3.79Å; L23-F156 HydrophobicContact CD2-CG 3.6Å; L23-F156 HydrophobicContact CD2-CZ 4.05Å; L23-F156 HydrophobicContact CG-CD2 4.12Å; L23-F156 HydrophobicContact CG-CE2 4.31Å; L53-F156 HydrophobicContact CD1-CB 4.3Å; I55-F156 HydrophobicContact CD1-CD1 3.96Å; I55-F156 HydrophobicContact CD1-CE1 3.71Å; I55-F156 HydrophobicContact CD1-CZ 4.44Å; I55-F156 HydrophobicContact CG1-CD1 4.48Å; I55-F156 HydrophobicContact CG1-CE1 4.21Å; I55-F156 HydrophobicContact CG2-CE1 4.1Å; L79-F156 HydrophobicContact CD1-CD1 3.82Å; L79-F156 HydrophobicContact CD1-CD2 4.22Å; L79-F156 HydrophobicContact CD1-CE1 3.53Å; L79-F156 HydrophobicContact CD1-CE2 3.94Å; L79-F156 HydrophobicContact CD1-CG 4.16Å; L79-F156 HydrophobicContact CD1-CZ 3.59Å; V152-F156 HydrophobicContact CG1-CD2 4.47Å; V152-F156 HydrophobicContact CG1-CE2 4.23Å; V152-F156 VanDerWaalsContact O-CD2 3.24Å; V152-F156 WeakPolarHBondContact O-CD2 3.47Å; E153-F156 PolarHBondContact O-N 3.42Å; F156-L159 PolarHBondContact O-N 2.9Å; F156-V160 WeakPolarHBondContact O-CG2 3.42Å; F156-V160 PolarHBondContact O-N 3.39Å; F156-V160 VanDerWaalsContact O-N 3.08Å |
| 157 | H | 98.8 | Very high | 98.2 | Very high | 31 Ų | 31 | 49.8 Ų | 49.8 | 14% | 0.144 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.7 | -45.7 | 176.2 | -73 | -169.3 | 0 | 0 | 0 | 112.2 | M44 I46 E153 D154 L159 V160 R161 | M44-H157 WeakPolarHBondContact CE-NE2 3.44Å; I46-H157 HydrophobicContact CG2-CB 4.31Å; E153-H157 WeakPolarHBondContact O-CB 3.25Å; E153-H157 PolarHBondContact O-CD2 3.05Å; E153-H157 VanDerWaalsContact O-CD2 3.28Å; E153-H157 VanDerWaalsContact O-CG 3.23Å; E153-H157 PolarHBondContact O-N 3.35Å; D154-H157 PolarHBondContact O-N 2.95Å; H157-L159 VanDerWaalsContact C-N 3.27Å; H157-L159 PolarHBondContact O-N 3.09Å; H157-V160 PolarHBondContact O-N 2.78Å; H157-R161 WeakPolarHBondContact O-CG 3.28Å; H157-R161 PolarHBondContact O-N 2.57Å |
| 158 | K | 98.9 | Very high | 98.1 | Very high | 61 Ų | 61 | 49.9 Ų | 49.9 | 27% | 0.265 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.8 | -38.5 | 175.3 | -79.6 | 166.1 | 179.4 | -81 | 0 | 111.6 | V112 P140 V142 D154 R161 E162 | V112-K158 HydrophobicContact CG2-CB 3.99Å; P140-K158 HydrophobicContact CB-CB 4.49Å; P140-K158 HydrophobicContact CB-CD 4.26Å; V142-K158 HydrophobicContact CG2-CD 3.29Å; D154-K158 VanDerWaalsContact O-CB 3.31Å; D154-K158 WeakPolarHBondContact O-CB 3.41Å; D154-K158 WeakPolarHBondContact O-CG 3.46Å; D154-K158 PolarHBondContact O-N 3.28Å; D154-K158 WeakPolarHBondContact OD1-CE 3.48Å; D154-K158 WeakPolarHBondContact OD2-CE 3.38Å; K158-R161 WeakPolarHBondContact O-CB 3.41Å; K158-R161 PolarHBondContact O-N 3.28Å; K158-E162 PolarHBondContact O-N 3.27Å |
| 159 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.4 | -43.8 | 177.7 | -175.3 | 59 | 0 | 0 | 0 | 112 | L6 L79 V112 A155 F156 H157 R161 E162 I163 | L6-L159 HydrophobicContact CB-CD2 4.15Å; L6-L159 HydrophobicContact CD1-CD2 4.34Å; L6-L159 HydrophobicContact CD2-CD2 3.82Å; L6-L159 HydrophobicContact CD2-CG 4.08Å; L6-L159 HydrophobicContact CG-CD2 4.33Å; L79-L159 HydrophobicContact CD2-CB 3.96Å; L79-L159 HydrophobicContact CD2-CD2 3.8Å; L79-L159 HydrophobicContact CD2-CG 4.39Å; L79-L159 HydrophobicContact CG-CD2 3.82Å; V112-L159 HydrophobicContact CG2-CB 3.91Å; V112-L159 HydrophobicContact CG2-CD1 4.12Å; A155-L159 PolarHBondContact O-N 2.98Å; A155-L159 VanDerWaalsContact O-N 3.09Å; F156-L159 PolarHBondContact O-N 2.9Å; H157-L159 VanDerWaalsContact C-N 3.27Å; H157-L159 PolarHBondContact O-N 3.09Å; L159-R161 VanDerWaalsContact C-N 3.28Å; L159-R161 PolarHBondContact O-N 3.03Å; L159-E162 PolarHBondContact O-N 3.32Å; L159-I163 HydrophobicContact CG-CD1 4.41Å; L159-I163 WeakPolarHBondContact O-CG1 3.49Å; L159-I163 PolarHBondContact O-N 3.27Å |
| 160 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.5 | -41.4 | 174.1 | 170 | 0 | 0 | 0 | 0 | 111.4 | Y4 L6 I46 L53 F156 H157 I163 R164 | Y4-V160 HydrophobicContact CD1-CG1 4.49Å; Y4-V160 HydrophobicContact CD2-CG1 3.88Å; Y4-V160 HydrophobicContact CD2-CG2 4.15Å; Y4-V160 HydrophobicContact CE1-CG1 4.25Å; Y4-V160 HydrophobicContact CE2-CG1 3.6Å; Y4-V160 HydrophobicContact CG-CG1 4.32Å; Y4-V160 HydrophobicContact CG-CG2 4.24Å; L6-V160 HydrophobicContact CD1-CG2 4.41Å; I46-V160 HydrophobicContact CD1-CB 3.93Å; I46-V160 HydrophobicContact CD1-CG1 4.03Å; I46-V160 HydrophobicContact CD1-CG2 3.72Å; I46-V160 HydrophobicContact CG2-CG1 4.27Å; L53-V160 HydrophobicContact CD2-CG2 3.56Å; F156-V160 WeakPolarHBondContact O-CG2 3.42Å; F156-V160 PolarHBondContact O-N 3.39Å; F156-V160 VanDerWaalsContact O-N 3.08Å; H157-V160 PolarHBondContact O-N 2.78Å; V160-I163 PolarHBondContact O-N 3.32Å; V160-R164 WeakPolarHBondContact O-CG 3.38Å; V160-R164 PolarHBondContact O-N 2.97Å |
| 161 | R | 98.8 | Very high | 96.8 | Very high | 91 Ų | 91 | 47.8 Ų | 47.8 | 34% | 0.343 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.2 | -41 | 175.6 | -68.7 | 173.1 | -174.2 | 141.8 | -4.5 | 112.6 | D47 H157 K158 L159 I163 R164 K165 | D47-R161 IonicContact OD1-CZ 3.84Å; D47-R161 IonicContact OD1-NE 3.91Å; D47-R161 PolarHBondContact OD1-NE 3.39Å; D47-R161 VanDerWaalsContact OD1-NE 3.09Å; D47-R161 IonicContact OD1-NH2 3.48Å; D47-R161 PolarHBondContact OD1-NH2 2.63Å; D47-R161 WeakPolarHBondContact OD2-CG 3.48Å; D47-R161 IonicContact OD2-NE 2.88Å; D47-R161 PolarHBondContact OD2-NE 3.15Å; D47-R161 VanDerWaalsContact OD2-NE 3.08Å; H157-R161 WeakPolarHBondContact O-CG 3.28Å; H157-R161 PolarHBondContact O-N 2.57Å; K158-R161 WeakPolarHBondContact O-CB 3.41Å; K158-R161 PolarHBondContact O-N 3.28Å; L159-R161 VanDerWaalsContact C-N 3.28Å; L159-R161 PolarHBondContact O-N 3.03Å; R161-I163 VanDerWaalsContact C-N 3.34Å; R161-I163 PolarHBondContact O-N 3.25Å; R161-R164 PolarHBondContact O-N 3.33Å; R161-K165 WeakPolarHBondContact O-CB 3.37Å; R161-K165 PolarHBondContact O-N 3.19Å |
| 162 | E | 98.8 | Very high | 96.2 | Very high | 36 Ų | 36 | 52.8 Ų | 52.8 | 17% | 0.168 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.3 | -35.4 | 175.1 | -71.4 | -54.9 | 116.2 | 0 | 0 | 112.2 | P110 P140 K158 L159 K165 S166 | P110-E162 HydrophobicContact CB-CB 4.09Å; P140-E162 HydrophobicContact CG-CG 3.76Å; K158-E162 PolarHBondContact O-N 3.27Å; L159-E162 PolarHBondContact O-N 3.32Å; E162-K165 PolarHBondContact O-N 3Å; E162-K165 IonicContact OE1-NZ 3.76Å; E162-K165 PolarHBondContact OE1-NZ 3.05Å; E162-K165 IonicContact OE2-NZ 2.77Å; E162-K165 PolarHBondContact OE2-NZ 3.46Å; E162-S166 WeakPolarHBondContact O-CB 3.35Å; E162-S166 PolarHBondContact O-N 2.92Å |
| 163 | I | 98.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.015 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 173.2 | -63.3 | 166.9 | 0 | 0 | 0 | 110.6 | Y4 L6 E76 P110 L159 V160 R161 S166 K167 | Y4-I163 HydrophobicContact CD1-CB 4.22Å; Y4-I163 HydrophobicContact CD1-CD1 4.2Å; Y4-I163 HydrophobicContact CD1-CG2 3.78Å; Y4-I163 HydrophobicContact CE1-CB 4.4Å; Y4-I163 HydrophobicContact CE1-CG2 3.96Å; L6-I163 HydrophobicContact CD2-CD1 3.36Å; E76-I163 HydrophobicContact CB-CD1 4.06Å; E76-I163 HydrophobicContact CB-CG1 4.44Å; E76-I163 HydrophobicContact CB-CG2 4.23Å; P110-I163 HydrophobicContact CB-CB 4.44Å; P110-I163 HydrophobicContact CB-CG1 3.68Å; P110-I163 HydrophobicContact CG-CG1 4.12Å; L159-I163 HydrophobicContact CG-CD1 4.41Å; L159-I163 WeakPolarHBondContact O-CG1 3.49Å; L159-I163 PolarHBondContact O-N 3.27Å; V160-I163 PolarHBondContact O-N 3.32Å; R161-I163 VanDerWaalsContact C-N 3.34Å; R161-I163 PolarHBondContact O-N 3.25Å; I163-S166 PolarHBondContact O-N 2.59Å; I163-K167 HydrophobicContact CG2-CD 4.07Å; I163-K167 HydrophobicContact CG2-CG 4.41Å; I163-K167 WeakPolarHBondContact O-CG 3.38Å; I163-K167 PolarHBondContact O-N 2.86Å |
| 164 | R | 98.2 | Very high | 94.7 | Very high | 36 Ų | 36 | 62.2 Ų | 62.2 | 14% | 0.136 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.1 | -50.7 | 176.1 | -72.9 | 171.1 | 173.3 | 171 | -4.5 | 111.2 | Y4 I46 D47 E49 V160 R161 S166 K167 E168 | Y4-R164 HydrophobicContact CE1-CG 4.24Å; Y4-R164 WeakPolarHBondContact OH-CG 3.43Å; Y4-R164 PolarHBondContact OH-NE 3.49Å; I46-R164 PolarHBondContact O-NH1 2.74Å; I46-R164 PolarHBondContact O-NH2 3.49Å; I46-R164 VanDerWaalsContact O-NH2 3.15Å; D47-R164 IonicContact OD2-NH1 3.85Å; D47-R164 PolarHBondContact OD2-NH1 2.93Å; E49-R164 IonicContact OE2-CZ 3.09Å; E49-R164 IonicContact OE2-NE 3.08Å; E49-R164 IonicContact OE2-NH2 2.74Å; E49-R164 PolarHBondContact OE2-NH2 3.46Å; V160-R164 WeakPolarHBondContact O-CG 3.38Å; V160-R164 PolarHBondContact O-N 2.97Å; R161-R164 PolarHBondContact O-N 3.33Å; R164-S166 VanDerWaalsContact C-N 3.33Å; R164-S166 PolarHBondContact O-N 3.31Å; R164-K167 PolarHBondContact O-N 2.95Å; R164-E168 WeakPolarHBondContact O-CG 3.29Å; R164-E168 PolarHBondContact O-N 2.82Å |
| 165 | K | 97.7 | Very high | 93.8 | Very high | 103 Ų | 103 | 66.5 Ų | 66.5 | 45% | 0.448 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.2 | -43.4 | 176.7 | -179.3 | -176 | 169.1 | -162.4 | 0 | 112.5 | R161 E162 E168 K169 | R161-K165 WeakPolarHBondContact O-CB 3.37Å; R161-K165 PolarHBondContact O-N 3.19Å; E162-K165 PolarHBondContact O-N 3Å; E162-K165 IonicContact OE1-NZ 3.76Å; E162-K165 PolarHBondContact OE1-NZ 3.05Å; E162-K165 IonicContact OE2-NZ 2.77Å; E162-K165 PolarHBondContact OE2-NZ 3.46Å; K165-E168 PolarHBondContact O-N 2.91Å; K165-K169 PolarHBondContact O-N 3.21Å |
| 166 | S | 96.9 | Very high | 92.8 | Very high | 25 Ų | 25 | 73.1 Ų | 73.1 | 18% | 0.175 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66 | -43.8 | 176.8 | -175.5 | 0 | 0 | 0 | 0 | 112.6 | E162 I163 R164 E168 K169 K170 | E162-S166 WeakPolarHBondContact O-CB 3.35Å; E162-S166 PolarHBondContact O-N 2.92Å; I163-S166 PolarHBondContact O-N 2.59Å; R164-S166 VanDerWaalsContact C-N 3.33Å; R164-S166 PolarHBondContact O-N 3.31Å; S166-E168 VanDerWaalsContact C-N 3.33Å; S166-E168 PolarHBondContact O-N 3.27Å; S166-K169 PolarHBondContact O-N 2.82Å; S166-K170 WeakPolarHBondContact O-CG 3.45Å; S166-K170 PolarHBondContact O-N 3.09Å |
| 167 | K | 95.3 | Very high | 91.8 | Very high | 91 Ų | 91 | 82.6 Ų | 82.6 | 40% | 0.396 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61 | -41 | 176 | -74.1 | 179.3 | 177.9 | 178.2 | 0 | 111.3 | E76 I163 R164 G171 | E76-K167 WeakPolarHBondContact OE1-CE 3.41Å; E76-K167 IonicContact OE1-NZ 3.7Å; E76-K167 PolarHBondContact OE1-NZ 2.92Å; E76-K167 IonicContact OE2-NZ 3.58Å; I163-K167 HydrophobicContact CG2-CD 4.07Å; I163-K167 HydrophobicContact CG2-CG 4.41Å; I163-K167 WeakPolarHBondContact O-CG 3.38Å; I163-K167 PolarHBondContact O-N 2.86Å; R164-K167 PolarHBondContact O-N 2.95Å; K167-G171 PolarHBondContact O-N 2.82Å |
| 168 | E | 94.5 | Very high | 90.6 | Very high | 118 Ų | 118 | 88.7 Ų | 88.7 | 55% | 0.551 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.7 | -45.2 | 176 | -74 | 179.8 | -161.2 | 0 | 0 | 113.2 | R164 K165 S166 G171 K172 | R164-E168 WeakPolarHBondContact O-CG 3.29Å; R164-E168 PolarHBondContact O-N 2.82Å; K165-E168 PolarHBondContact O-N 2.91Å; S166-E168 VanDerWaalsContact C-N 3.33Å; S166-E168 PolarHBondContact O-N 3.27Å; E168-G171 PolarHBondContact O-N 3.41Å; E168-K172 WeakPolarHBondContact O-CG 3.41Å; E168-K172 PolarHBondContact O-N 3.46Å |
| 169 | K | 91.8 | Very high | 89.5 | Confident | 98 Ų | 98 | 95 Ų | 95 | 43% | 0.426 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -57.9 | -50.5 | 177.1 | -174.9 | 175.3 | 175.1 | 179.8 | 0 | 110.6 | E108 K165 S166 G171 K172 D173 | E108-K169 IonicContact OE1-NZ 3.02Å; E108-K169 PolarHBondContact OE1-NZ 2.92Å; E108-K169 IonicContact OE2-NZ 2.75Å; E108-K169 PolarHBondContact OE2-NZ 3.4Å; K165-K169 PolarHBondContact O-N 3.21Å; S166-K169 PolarHBondContact O-N 2.82Å; K169-G171 VanDerWaalsContact C-N 3.29Å; K169-G171 PolarHBondContact O-N 3.22Å; K169-K172 PolarHBondContact O-N 3.05Å; K169-K172 VanDerWaalsContact O-N 3.14Å; K169-D173 PolarHBondContact O-N 3.42Å |
| 170 | K | 87.9 | Confident | 88.1 | Confident | 121 Ų | 121 | 102.9 Ų | 102.9 | 53% | 0.526 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.3 | -37.9 | 176.3 | -70.3 | 177.6 | -179.3 | 179.2 | 0 | 112.5 | S166 R174 | S166-K170 WeakPolarHBondContact O-CG 3.45Å; S166-K170 PolarHBondContact O-N 3.09Å; K170-R174 WeakPolarHBondContact O-CG 3.45Å; K170-R174 PolarHBondContact O-N 3.45Å; K170-R174 VanDerWaalsContact O-N 3.13Å |
| 171 | G | 87.5 | Confident | 86.6 | Confident | 32 Ų | 32 | 107.1 Ų | 107.1 | 33% | 0.33 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K167 E168 K169 K175 | K167-G171 PolarHBondContact O-N 2.82Å; E168-G171 PolarHBondContact O-N 3.41Å; K169-G171 VanDerWaalsContact C-N 3.29Å; K169-G171 PolarHBondContact O-N 3.22Å; G171-K175 WeakPolarHBondContact O-CG 3.17Å; G171-K175 PolarHBondContact O-N 2.96Å |
| 172 | K | 86 | Confident | 85.2 | Confident | 127 Ų | 127 | 107.9 Ų | 107.9 | 55% | 0.552 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.6 | -41.9 | 176.8 | -72 | 173.6 | -177.2 | 169 | 0 | 111.6 | E168 K169 K175 K176 | E168-K172 WeakPolarHBondContact O-CG 3.41Å; E168-K172 PolarHBondContact O-N 3.46Å; K169-K172 PolarHBondContact O-N 3.05Å; K169-K172 VanDerWaalsContact O-N 3.14Å; K172-K175 PolarHBondContact O-N 3.27Å; K172-K176 WeakPolarHBondContact O-CG 3.13Å; K172-K176 PolarHBondContact O-N 3.19Å |
| 173 | D | 83.5 | Confident | 83.6 | Confident | 74 Ų | 74 | 113.2 Ų | 113.2 | 40% | 0.396 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 179.9 | -66.8 | -24.6 | 0 | 0 | 0 | 112.3 | K169 K175 K176 R177 | K169-D173 PolarHBondContact O-N 3.42Å; D173-K175 PolarHBondContact O-N 3.37Å; D173-K176 PolarHBondContact O-N 3.02Å; D173-R177 WeakPolarHBondContact O-CG 3.46Å; D173-R177 PolarHBondContact O-N 2.93Å |
| 174 | R | 81.3 | Confident | 81.3 | Confident | 193 Ų | 193 | 123.8 Ų | 123.8 | 73% | 0.728 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.8 | -43 | 172.5 | -75.6 | 178.8 | 175.7 | -171.3 | -1 | 112.2 | K170 R177 K178 | K170-R174 WeakPolarHBondContact O-CG 3.45Å; K170-R174 PolarHBondContact O-N 3.45Å; K170-R174 VanDerWaalsContact O-N 3.13Å; R174-R177 PolarHBondContact O-N 3.1Å; R174-K178 PolarHBondContact O-N 3.31Å; R174-K178 VanDerWaalsContact O-N 3.07Å |
| 175 | K | 80 | Confident | 80.5 | Confident | 155 Ų | 155 | 128.2 Ų | 128.2 | 67% | 0.674 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.6 | -41 | 176.9 | -73.6 | -179.5 | -179 | -179.9 | 0 | 112.1 | G171 K172 D173 K178 R179 | G171-K175 WeakPolarHBondContact O-CG 3.17Å; G171-K175 PolarHBondContact O-N 2.96Å; K172-K175 PolarHBondContact O-N 3.27Å; D173-K175 PolarHBondContact O-N 3.37Å; K175-K178 PolarHBondContact O-N 2.71Å; K175-R179 PolarHBondContact O-N 3.36Å; K175-R179 VanDerWaalsContact O-N 3.09Å |
| 176 | K | 78.3 | Confident | 79.6 | Confident | 139 Ų | 139 | 129.5 Ų | 129.5 | 60% | 0.604 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.6 | -43.3 | 175.7 | -73.8 | 178.6 | -179.7 | 176.7 | 0 | 112.2 | K172 D173 R179 K180 | K172-K176 WeakPolarHBondContact O-CG 3.13Å; K172-K176 PolarHBondContact O-N 3.19Å; D173-K176 PolarHBondContact O-N 3.02Å; K176-R179 PolarHBondContact O-N 3.13Å; K176-K180 PolarHBondContact O-N 2.77Å; K176-K180 VanDerWaalsContact O-N 3.15Å |
| 177 | R | 77.2 | Confident | 78.6 | Confident | 201 Ų | 201 | 135.3 Ų | 135.3 | 76% | 0.758 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.6 | -43.3 | 176.9 | -72.9 | 179.1 | 69.2 | 175.5 | 1.6 | 112.4 | D173 R174 R179 K180 C181 | D173-R177 WeakPolarHBondContact O-CG 3.46Å; D173-R177 PolarHBondContact O-N 2.93Å; R174-R177 PolarHBondContact O-N 3.1Å; R177-R179 PolarHBondContact O-N 3.47Å; R177-K180 PolarHBondContact O-N 3.46Å; R177-C181 PolarHBondContact O-N 3.02Å; R177-C181 VanDerWaalsContact O-N 3.12Å |
| 178 | K | 74.5 | Confident | 77.6 | Confident | 158 Ų | 158 | 137.9 Ų | 137.9 | 69% | 0.687 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -61 | -43.3 | 175.7 | -75.1 | -170.9 | 175.1 | -169 | 0 | 112.4 | R174 K175 K180 C181 C182 | R174-K178 PolarHBondContact O-N 3.31Å; R174-K178 VanDerWaalsContact O-N 3.07Å; K175-K178 PolarHBondContact O-N 2.71Å; K178-K180 VanDerWaalsContact C-N 3.34Å; K178-K180 PolarHBondContact O-N 3.19Å; K178-C181 PolarHBondContact O-N 3.03Å; K178-C182 PolarHBondContact O-N 2.99Å; K178-C182 PolarHBondContact O-SG 3.45Å; K178-C182 VanDerWaalsContact O-SG 3.4Å |
| 179 | R | 74.4 | Confident | 76.6 | Confident | 195 Ų | 195 | 139.2 Ų | 139.2 | 74% | 0.736 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -62.2 | -37.7 | 176.6 | -74.9 | -176.2 | 177.3 | -177.6 | -1.8 | 113 | K175 K176 R177 I183 | K175-R179 PolarHBondContact O-N 3.36Å; K175-R179 VanDerWaalsContact O-N 3.09Å; K176-R179 PolarHBondContact O-N 3.13Å; R177-R179 PolarHBondContact O-N 3.47Å; R179-I183 WeakPolarHBondContact O-CD1 3.43Å; R179-I183 VanDerWaalsContact O-CG1 3.29Å; R179-I183 WeakPolarHBondContact O-CG1 3.08Å |
| 180 | K | 70.6 | Confident | 75.5 | Confident | 165 Ų | 165 | 141.9 Ų | 141.9 | 72% | 0.717 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68.1 | -36.4 | 176 | -73.4 | -172.5 | 176.3 | -172.2 | 0 | 112.8 | K176 R177 K178 C182 I183 | K176-K180 PolarHBondContact O-N 2.77Å; K176-K180 VanDerWaalsContact O-N 3.15Å; R177-K180 PolarHBondContact O-N 3.46Å; K178-K180 VanDerWaalsContact C-N 3.34Å; K178-K180 PolarHBondContact O-N 3.19Å; K180-C182 VanDerWaalsContact C-N 3.35Å; K180-I183 PolarHBondContact O-N 3.01Å |
| 181 | C | 67.2 | Low | 74.7 | Confident | 88 Ų | 88 | 143.4 Ų | 143.4 | 60% | 0.595 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.7 | -26.9 | -179.7 | -164.7 | 0 | 0 | 0 | 0 | 113.3 | R177 K178 | R177-C181 PolarHBondContact O-N 3.02Å; R177-C181 VanDerWaalsContact O-N 3.12Å; K178-C181 PolarHBondContact O-N 3.03Å |
| 182 | C | 68 | Low | 73.7 | Confident | 108 Ų | 108 | 152 Ų | 152 | 73% | 0.73 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -4.2 | 178.2 | -61 | 0 | 0 | 0 | 0 | 114 | K178 K180 | K178-C182 PolarHBondContact O-N 2.99Å; K178-C182 PolarHBondContact O-SG 3.45Å; K178-C182 VanDerWaalsContact O-SG 3.4Å; K180-C182 VanDerWaalsContact C-N 3.35Å |
| 183 | I | 65.2 | Low | 72.6 | Confident | 148 Ų | 148 | 154.1 Ų | 154.1 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 1.4 | 175.8 | -61.3 | 167.4 | 0 | 0 | 0 | 110.5 | R179 K180 | R179-I183 WeakPolarHBondContact O-CD1 3.43Å; R179-I183 VanDerWaalsContact O-CG1 3.29Å; R179-I183 WeakPolarHBondContact O-CG1 3.08Å; K180-I183 PolarHBondContact O-N 3.01Å |
| 184 | Q | 51.6 | Low | 71.7 | Confident | 225 Ų | 225 | 161.4 Ų | 161.4 | 100% | 1.051 | 73% | 0.731 | S | S | * | * | trans | -103.9 | 0 | 167.4 | -76.5 | -174.9 | -39.8 | 0 | 0 | 109.6 |
Retrieved 184 of 184 residues in 39.7 ms
(Link to these results)