| 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 | W | 90.7 | Very high | 95.5 | Very high | 118 Ų | 118 | 70.6 Ų | 70.6 | 45% | 0.447 | 34% | 0.34 | S | S | . | . | 0 | -52 | 0 | -67.4 | 122.3 | 0 | 0 | 0 | 113.1 | E3 R4 C6 F9 I80 L89 | W1-E3 VanDerWaalsContact C-N 3.34Å; W1-E3 PolarHBondContact O-N 3.21Å; W1-R4 CarbonylContact O-C 3.56Å; W1-R4 WeakPolarHBondContact O-CA 3.39Å; W1-R4 WeakPolarHBondContact O-CB 3.27Å; W1-R4 PolarHBondContact O-N 2.55Å; W1-C6 HydrophobicContact CB-CB 4.07Å; W1-C6 WeakPolarHBondContact O-CB 3.39Å; W1-C6 PolarHBondContact O-N 2.94Å; W1-F9 HydrophobicContact CB-CE1 3.63Å; W1-F9 HydrophobicContact CB-CZ 3.89Å; W1-F9 HydrophobicContact CG-CE1 4.28Å; W1-I80 HydrophobicContact CB-CG1 4.41Å; W1-I80 HydrophobicContact CD2-CD1 4.23Å; W1-I80 HydrophobicContact CD2-CG1 4.29Å; W1-I80 HydrophobicContact CD2-CG2 4.03Å; W1-I80 HydrophobicContact CE3-CD1 3.86Å; W1-I80 HydrophobicContact CE3-CG1 4.27Å; W1-I80 HydrophobicContact CG-CG1 4.37Å; W1-I80 HydrophobicContact CG-CG2 3.93Å; W1-I80 HydrophobicContact CZ3-CD1 4.15Å; W1-L89 HydrophobicContact CZ2-CD1 4.17Å | |||
| 2 | A | 91.7 | Very high | 95.4 | Very high | 26 Ų | 26 | 65.2 Ų | 65.2 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -53.5 | -47.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R4 G5 F9 L28 V30 | A2-R4 PolarHBondContact O-N 3.45Å; A2-G5 PolarHBondContact O-N 3.36Å; A2-F9 HydrophobicContact CB-CZ 4.5Å; A2-L28 HydrophobicContact CB-CB 4.18Å; A2-L28 HydrophobicContact CB-CD1 4.03Å; A2-L28 HydrophobicContact CB-CD2 4.3Å; A2-L28 HydrophobicContact CB-CG 4.41Å; A2-V30 HydrophobicContact CB-CG2 3.89Å |
| 3 | E | 93 | Very high | 95 | Very high | 194 Ų | 194 | 61.9 Ų | 61.9 | 91% | 0.907 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -58.1 | -19.5 | 174.3 | -62.4 | 174 | 166.4 | 0 | 0 | 114.4 | W1 | W1-E3 VanDerWaalsContact C-N 3.34Å; W1-E3 PolarHBondContact O-N 3.21Å |
| 4 | R | 94.1 | Very high | 94.2 | Very high | 181 Ų | 181 | 58.6 Ų | 58.6 | 68% | 0.683 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -97 | 12.8 | 178.4 | -56.3 | -178.2 | -173.9 | 169 | -0.9 | 112.5 | W1 A2 | W1-R4 CarbonylContact O-C 3.56Å; W1-R4 WeakPolarHBondContact O-CA 3.39Å; W1-R4 WeakPolarHBondContact O-CB 3.27Å; W1-R4 PolarHBondContact O-N 2.55Å; A2-R4 PolarHBondContact O-N 3.45Å |
| 5 | G | 95.3 | Very high | 93.9 | Very high | 53 Ų | 53 | 55.9 Ų | 55.9 | 55% | 0.546 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 28.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A2 E7 | A2-G5 PolarHBondContact O-N 3.36Å; G5-E7 PolarHBondContact O-N 2.78Å |
| 6 | C | 96.2 | Very high | 93.9 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 9% | 0.088 | 28% | 0.284 | C | S | . | . | trans | -60 | 124.8 | 170.4 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | W1 R8 F9 I80 | W1-C6 HydrophobicContact CB-CB 4.07Å; W1-C6 WeakPolarHBondContact O-CB 3.39Å; W1-C6 PolarHBondContact O-N 2.94Å; C6-R8 PolarHBondContact SG-O 3.4Å; C6-R8 VanDerWaalsContact SG-O 3.39Å; C6-F9 HydrophobicContact CB-CE1 4.36Å; C6-F9 HydrophobicContact CB-CZ 4.24Å; C6-F9 VanDerWaalsContact SG-CE1 3.55Å; C6-I80 HydrophobicContact CB-CG1 4.06Å; C6-I80 VanDerWaalsContact SG-CG1 3.5Å | ||
| 7 | E | 97.4 | Very high | 94 | Very high | 127 Ų | 127 | 53.8 Ų | 53.8 | 59% | 0.593 | 28% | 0.28 | S | S | * | . | trans | -92 | -22.7 | -179.7 | -62.7 | -173.2 | -174.6 | 0 | 0 | 112.4 | G5 P31 G78 | G5-E7 PolarHBondContact O-N 2.78Å; E7-P31 WeakPolarHBondContact O-CD 3.37Å; E7-G78 PolarHBondContact N-O 2.9Å | ||
| 8 | R | 98.2 | Very high | 94.1 | Very high | 48 Ų | 48 | 50.8 Ų | 50.8 | 18% | 0.181 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 139.6 | 177.9 | -175.1 | 170 | -68.8 | -112.2 | -1.5 | 112.8 | C6 P31 T33 W79 I80 | C6-R8 PolarHBondContact SG-O 3.4Å; C6-R8 VanDerWaalsContact SG-O 3.39Å; R8-P31 WeakPolarHBondContact CA-O 3.28Å; R8-P31 HydrophobicContact CG-CB 4.27Å; R8-P31 WeakPolarHBondContact CG-O 3.47Å; R8-T33 WeakPolarHBondContact CD-OG1 3.47Å; R8-T33 PolarHBondContact NH1-OG1 3.16Å; R8-W79 HydrophobicContact CB-CD2 3.83Å; R8-W79 HydrophobicContact CB-CE3 4.49Å; R8-W79 HydrophobicContact CB-CG 3.82Å; R8-W79 VanDerWaalsContact CD-CH2 3.46Å; R8-W79 VanDerWaalsContact CD-CZ2 3.45Å; R8-W79 HydrophobicContact CG-CD2 4.12Å; R8-W79 HydrophobicContact CG-CE3 4.31Å; R8-W79 CarbonylContact O-C 3.58Å; R8-W79 WeakPolarHBondContact O-CA 3.48Å; R8-I80 PolarHBondContact O-N 2.62Å |
| 9 | F | 98.4 | Very high | 94.2 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 139.3 | 167.8 | -65.8 | -65.6 | 0 | 0 | 0 | 111.7 | W1 A2 C6 A25 L28 V30 P31 A32 T33 I80 V82 | W1-F9 HydrophobicContact CB-CE1 3.63Å; W1-F9 HydrophobicContact CB-CZ 3.89Å; W1-F9 HydrophobicContact CG-CE1 4.28Å; A2-F9 HydrophobicContact CB-CZ 4.5Å; C6-F9 HydrophobicContact CB-CE1 4.36Å; C6-F9 HydrophobicContact CB-CZ 4.24Å; C6-F9 VanDerWaalsContact SG-CE1 3.55Å; F9-A25 HydrophobicContact CD2-CB 3.8Å; F9-L28 HydrophobicContact CE2-CD1 4.23Å; F9-V30 HydrophobicContact CD2-CB 4.12Å; F9-V30 HydrophobicContact CD2-CG1 3.82Å; F9-V30 HydrophobicContact CE2-CB 3.9Å; F9-V30 HydrophobicContact CE2-CG1 3.84Å; F9-V30 HydrophobicContact CE2-CG2 4.32Å; F9-P31 PolarHBondContact N-O 3.26Å; F9-A32 CarbonylContact O-C 3.53Å; F9-A32 WeakPolarHBondContact O-CA 3.48Å; F9-T33 PolarHBondContact O-N 3.43Å; F9-I80 CarbonylContact C-O 3.47Å; F9-I80 WeakPolarHBondContact CA-O 3.41Å; F9-I80 HydrophobicContact CD1-CB 4.08Å; F9-I80 HydrophobicContact CD1-CG2 4.33Å; F9-I80 HydrophobicContact CE1-CB 4.24Å; F9-I80 HydrophobicContact CE1-CG2 4.36Å; F9-V82 HydrophobicContact CB-CG2 4.07Å; F9-V82 HydrophobicContact CD1-CG2 3.59Å; F9-V82 HydrophobicContact CE1-CG2 4.41Å; F9-V82 HydrophobicContact CG-CG2 4.15Å |
| 10 | V | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.4 | 172.2 | -177 | 0 | 0 | 0 | 0 | 108.9 | T33 V35 L72 V73 W79 I80 F81 V82 | V10-T33 VanDerWaalsContact CA-O 3.29Å; V10-T33 WeakPolarHBondContact CA-O 3.36Å; V10-V35 HydrophobicContact CG1-CG2 4.18Å; V10-L72 HydrophobicContact CG1-CD1 4.44Å; V10-V73 HydrophobicContact CB-CG2 3.73Å; V10-V73 HydrophobicContact CG1-CG2 4.39Å; V10-V73 HydrophobicContact CG2-CG2 3.7Å; V10-W79 HydrophobicContact CG2-CE3 3.6Å; V10-W79 HydrophobicContact CG2-CZ3 4.16Å; V10-I80 PolarHBondContact N-O 2.75Å; V10-F81 HydrophobicContact CG1-CD2 4.5Å; V10-F81 CarbonylContact O-C 3.49Å; V10-F81 WeakPolarHBondContact O-CA 3.49Å; V10-V82 PolarHBondContact O-N 3.08Å |
| 11 | C | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 136.3 | 174.8 | -173.1 | 0 | 0 | 0 | 0 | 110 | A21 T33 I34 V35 V82 | C11-A21 HydrophobicContact CB-CB 3.83Å; C11-T33 PolarHBondContact N-O 2.84Å; C11-I34 HydrophobicContact CB-CD1 3.83Å; C11-I34 CarbonylContact O-C 3.59Å; C11-I34 VanDerWaalsContact O-CA 3.3Å; C11-I34 WeakPolarHBondContact O-CA 3.4Å; C11-V35 PolarHBondContact O-N 3.28Å; C11-V82 HydrophobicContact CB-CB 4.34Å; C11-V82 PolarHBondContact SG-O 3.06Å |
| 12 | C | 93.9 | Very high | 94.9 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.034 | 24% | 0.238 | C | C | . | . | trans | -105.6 | 64.8 | 178.4 | -59.9 | 0 | 0 | 0 | 0 | 110.3 | V35 L62 S65 I66 F81 | C12-V35 WeakPolarHBondContact CA-O 3.27Å; C12-L62 WeakPolarHBondContact O-CD1 3.2Å; C12-S65 PolarHBondContact SG-O 2.85Å; C12-I66 HydrophobicContact CB-CB 4.35Å; C12-I66 HydrophobicContact CB-CG1 3.68Å; C12-F81 HydrophobicContact CB-CE2 4.35Å; C12-F81 HydrophobicContact CB-CZ 4.36Å | ||
| 13 | S | 90.4 | Very high | 95.2 | Very high | 23 Ų | 23 | 46.7 Ų | 46.7 | 16% | 0.161 | 25% | 0.249 | C | C | . | . | trans | -146.6 | 123.7 | 176.4 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | G15 G18 I34 | S13-G15 PolarHBondContact OG-N 2.81Å; S13-G18 VanDerWaalsContact O-CA 3.24Å; S13-G18 WeakPolarHBondContact O-CA 3.21Å; S13-I34 WeakPolarHBondContact O-CG2 3.32Å | ||
| 14 | G | 83.5 | Confident | 95.4 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -78 | -10.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T44 | G14-T44 WeakPolarHBondContact O-CG2 3.16Š|
| 15 | G | 89.8 | Confident | 95.6 | Very high | 19 Ų | 19 | 31.6 Ų | 31.6 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -95.4 | -146.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114 | S13 A17 G18 M19 | S13-G15 PolarHBondContact OG-N 2.81Å; G15-A17 VanDerWaalsContact C-N 3.33Å; G15-A17 PolarHBondContact O-N 3.41Å; G15-G18 PolarHBondContact O-N 3.39Å; G15-M19 PolarHBondContact O-N 3.33Å; G15-M19 VanDerWaalsContact O-N 3.09Å |
| 16 | N | 94.6 | Very high | 95.7 | Very high | 49 Ų | 49 | 34.4 Ų | 34.4 | 26% | 0.262 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.9 | -40.3 | -177.5 | -65.6 | -54.4 | 0 | 0 | 0 | 113.4 | M19 A20 T171 E216 G254 N255 | N16-M19 PolarHBondContact O-N 3.34Å; N16-A20 WeakPolarHBondContact O-CB 3.45Å; N16-A20 PolarHBondContact O-N 3.46Å; N16-T171 PolarHBondContact ND2-OG1 3.25Å; N16-E216 PolarHBondContact ND2-OE1 2.94Å; N16-E216 PolarHBondContact ND2-OE2 3.38Å; N16-E216 PolarHBondContact OD1-OE1 2.93Å; N16-G254 WeakPolarHBondContact OD1-CA 3.3Å; N16-N255 PolarHBondContact OD1-N 3.15Å; N16-N255 PolarHBondContact OD1-ND2 3.41Å |
| 17 | A | 94.7 | Very high | 95.8 | Very high | 27 Ų | 27 | 39.2 Ų | 39.2 | 22% | 0.223 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.3 | -39.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G15 A20 A21 P84 | G15-A17 VanDerWaalsContact C-N 3.33Å; G15-A17 PolarHBondContact O-N 3.41Å; A17-A20 PolarHBondContact O-N 2.8Å; A17-A21 WeakPolarHBondContact O-CB 3.36Å; A17-A21 PolarHBondContact O-N 3.15Å; A17-P84 HydrophobicContact CB-CB 3.57Å |
| 18 | G | 95.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | S13 G15 A21 A22 | S13-G18 VanDerWaalsContact O-CA 3.24Å; S13-G18 WeakPolarHBondContact O-CA 3.21Å; G15-G18 PolarHBondContact O-N 3.39Å; G18-A21 PolarHBondContact O-N 3.03Å; G18-A22 VanDerWaalsContact O-CB 3.31Å; G18-A22 WeakPolarHBondContact O-CB 3.34Å; G18-A22 PolarHBondContact O-N 2.79Å |
| 19 | M | 96.9 | Very high | 95.7 | Very high | 31 Ų | 31 | 38.9 Ų | 38.9 | 15% | 0.153 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.7 | -44.1 | 174.6 | -72.3 | -62.1 | -63.6 | 0 | 0 | 112 | G15 N16 A22 Y23 R47 L48 Q51 | G15-M19 PolarHBondContact O-N 3.33Å; G15-M19 VanDerWaalsContact O-N 3.09Å; N16-M19 PolarHBondContact O-N 3.34Å; M19-A22 PolarHBondContact O-N 3.35Å; M19-Y23 VanDerWaalsContact O-CB 3.26Å; M19-Y23 WeakPolarHBondContact O-CB 3.25Å; M19-Y23 PolarHBondContact O-N 3.27Å; M19-R47 HydrophobicContact CE-CB 4.3Å; M19-R47 HydrophobicContact SD-CB 4.05Å; M19-L48 HydrophobicContact CG-CD2 4.01Å; M19-L48 HydrophobicContact SD-CD2 3.55Å; M19-L48 VanDerWaalsContact SD-CD2 3.55Å; M19-L48 HydrophobicContact SD-CG 3.96Å; M19-Q51 HydrophobicContact CE-CG 3.54Å; M19-Q51 HydrophobicContact SD-CG 4.26Å |
| 20 | A | 97.4 | Very high | 95.7 | Very high | 53 Ų | 53 | 39 Ų | 39 | 44% | 0.438 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.7 | -42.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | N16 A17 S24 | N16-A20 WeakPolarHBondContact O-CB 3.45Å; N16-A20 PolarHBondContact O-N 3.46Å; A17-A20 PolarHBondContact O-N 2.8Å; A20-S24 VanDerWaalsContact O-CB 3.25Å; A20-S24 WeakPolarHBondContact O-CB 3.43Å; A20-S24 PolarHBondContact O-N 3.39Å; A20-S24 PolarHBondContact O-OG 3.45Å |
| 21 | A | 97.6 | Very high | 95.7 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 8% | 0.083 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.2 | -47.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | C11 A17 G18 S24 A25 I34 V82 | C11-A21 HydrophobicContact CB-CB 3.83Å; A17-A21 WeakPolarHBondContact O-CB 3.36Å; A17-A21 PolarHBondContact O-N 3.15Å; G18-A21 PolarHBondContact O-N 3.03Å; A21-S24 PolarHBondContact O-N 3.2Å; A21-A25 WeakPolarHBondContact O-CB 3.41Å; A21-A25 PolarHBondContact O-N 3.18Å; A21-I34 HydrophobicContact CB-CD1 4.23Å; A21-V82 HydrophobicContact CB-CG1 4.45Å |
| 22 | A | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | G18 M19 S24 A25 R26 I34 Q51 A53 | G18-A22 VanDerWaalsContact O-CB 3.31Å; G18-A22 WeakPolarHBondContact O-CB 3.34Å; G18-A22 PolarHBondContact O-N 2.79Å; M19-A22 PolarHBondContact O-N 3.35Å; A22-S24 PolarHBondContact O-N 2.92Å; A22-A25 PolarHBondContact O-N 3.1Å; A22-R26 PolarHBondContact O-N 2.96Å; A22-I34 HydrophobicContact CB-CD1 4.36Å; A22-I34 HydrophobicContact CB-CG1 4.4Å; A22-Q51 HydrophobicContact CB-CB 3.66Å; A22-Q51 HydrophobicContact CB-CG 4.31Å; A22-A53 HydrophobicContact CB-CB 3.65Å |
| 23 | Y | 98.1 | Very high | 96 | Very high | 114 Ų | 114 | 42 Ų | 42 | 45% | 0.447 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.2 | -50 | 176.1 | 174.2 | -94.1 | 0 | 0 | 0 | 111.5 | M19 A25 R26 Q27 | M19-Y23 VanDerWaalsContact O-CB 3.26Å; M19-Y23 WeakPolarHBondContact O-CB 3.25Å; M19-Y23 PolarHBondContact O-N 3.27Å; Y23-A25 PolarHBondContact O-N 3.43Å; Y23-R26 WeakPolarHBondContact O-CB 3.48Å; Y23-R26 PolarHBondContact O-N 3.49Å; Y23-Q27 HydrophobicContact CD1-CG 4.16Å; Y23-Q27 HydrophobicContact CE1-CG 3.69Å; Y23-Q27 HydrophobicContact CE2-CG 4.22Å; Y23-Q27 WeakPolarHBondContact O-CG 3.5Å; Y23-Q27 PolarHBondContact O-N 3.02Å; Y23-Q27 PolarHBondContact OH-NE2 3.44Å |
| 24 | S | 97.9 | Very high | 96.3 | Very high | 57 Ų | 57 | 41 Ų | 41 | 40% | 0.399 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.8 | -42.1 | -177.4 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | A20 A21 A22 R26 Q27 L28 | A20-S24 VanDerWaalsContact O-CB 3.25Å; A20-S24 WeakPolarHBondContact O-CB 3.43Å; A20-S24 PolarHBondContact O-N 3.39Å; A20-S24 PolarHBondContact O-OG 3.45Å; A21-S24 PolarHBondContact O-N 3.2Å; A22-S24 PolarHBondContact O-N 2.92Å; S24-R26 VanDerWaalsContact C-N 3.34Å; S24-R26 PolarHBondContact O-N 3.14Å; S24-Q27 PolarHBondContact O-N 3.17Å; S24-L28 WeakPolarHBondContact O-CB 3.45Å; S24-L28 VanDerWaalsContact O-CG 3.24Å; S24-L28 WeakPolarHBondContact O-CG 3.44Å; S24-L28 PolarHBondContact O-N 3.03Å |
| 25 | A | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F9 A21 A22 Y23 Q27 L28 G29 V30 A32 | F9-A25 HydrophobicContact CD2-CB 3.8Å; A21-A25 WeakPolarHBondContact O-CB 3.41Å; A21-A25 PolarHBondContact O-N 3.18Å; A22-A25 PolarHBondContact O-N 3.1Å; Y23-A25 PolarHBondContact O-N 3.43Å; A25-Q27 PolarHBondContact O-N 3.29Å; A25-L28 CarbonylContact O-C 3.59Å; A25-L28 PolarHBondContact O-N 3.01Å; A25-G29 PolarHBondContact O-N 3.01Å; A25-V30 CarbonylContact C-O 3.55Å; A25-V30 VanDerWaalsContact C-O 3.24Å; A25-V30 VanDerWaalsContact CB-O 3.27Å; A25-V30 WeakPolarHBondContact CB-O 3.37Å; A25-V30 PolarHBondContact O-N 3.24Å; A25-A32 HydrophobicContact CB-CB 3.51Å |
| 26 | R | 97.8 | Very high | 97.2 | Very high | 113 Ų | 113 | 39.4 Ų | 39.4 | 43% | 0.426 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.9 | -47.2 | 174.1 | -175.7 | -179.1 | 67.3 | -163.4 | -5.6 | 112.2 | A22 Y23 S24 L28 G29 D50 Q51 | A22-R26 PolarHBondContact O-N 2.96Å; Y23-R26 WeakPolarHBondContact O-CB 3.48Å; Y23-R26 PolarHBondContact O-N 3.49Å; S24-R26 VanDerWaalsContact C-N 3.34Å; S24-R26 PolarHBondContact O-N 3.14Å; R26-L28 PolarHBondContact O-N 3.26Å; R26-G29 PolarHBondContact O-N 3.38Å; R26-G29 VanDerWaalsContact O-N 3.16Å; R26-D50 PolarHBondContact NH1-O 3.12Å; R26-Q51 WeakPolarHBondContact CD-O 3.37Å |
| 27 | Q | 98.1 | Very high | 97.1 | Very high | 113 Ų | 113 | 37.6 Ų | 37.6 | 53% | 0.528 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.9 | -32.9 | 178.6 | -65.5 | -56.4 | -30.2 | 0 | 0 | 112.4 | Y23 S24 A25 | Y23-Q27 HydrophobicContact CD1-CG 4.16Å; Y23-Q27 HydrophobicContact CE1-CG 3.69Å; Y23-Q27 HydrophobicContact CE2-CG 4.22Å; Y23-Q27 WeakPolarHBondContact O-CG 3.5Å; Y23-Q27 PolarHBondContact O-N 3.02Å; Y23-Q27 PolarHBondContact OH-NE2 3.44Å; S24-Q27 PolarHBondContact O-N 3.17Å; A25-Q27 PolarHBondContact O-N 3.29Å |
| 28 | L | 97.4 | Very high | 96.8 | Very high | 99 Ų | 99 | 39.8 Ų | 39.8 | 52% | 0.518 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -4 | 179.5 | -66.3 | 168.6 | 0 | 0 | 0 | 113.5 | A2 F9 S24 A25 R26 V30 | A2-L28 HydrophobicContact CB-CB 4.18Å; A2-L28 HydrophobicContact CB-CD1 4.03Å; A2-L28 HydrophobicContact CB-CD2 4.3Å; A2-L28 HydrophobicContact CB-CG 4.41Å; F9-L28 HydrophobicContact CE2-CD1 4.23Å; S24-L28 WeakPolarHBondContact O-CB 3.45Å; S24-L28 VanDerWaalsContact O-CG 3.24Å; S24-L28 WeakPolarHBondContact O-CG 3.44Å; S24-L28 PolarHBondContact O-N 3.03Å; A25-L28 CarbonylContact O-C 3.59Å; A25-L28 PolarHBondContact O-N 3.01Å; R26-L28 PolarHBondContact O-N 3.26Å; L28-V30 HydrophobicContact CB-CG2 4.27Å; L28-V30 PolarHBondContact O-N 3.44Å |
| 29 | G | 97.1 | Very high | 96.3 | Very high | 70 Ų | 70 | 46 Ų | 46 | 72% | 0.722 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 20.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | A25 R26 | A25-G29 PolarHBondContact O-N 3.01Å; R26-G29 PolarHBondContact O-N 3.38Å; R26-G29 VanDerWaalsContact O-N 3.16Å |
| 30 | V | 98.1 | Very high | 95.9 | Very high | 19 Ų | 19 | 45.4 Ų | 45.4 | 12% | 0.115 | 26% | 0.263 | C | S | . | . | trans | -105.6 | 134.3 | 178.6 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | A2 F9 A25 L28 | A2-V30 HydrophobicContact CB-CG2 3.89Å; F9-V30 HydrophobicContact CD2-CB 4.12Å; F9-V30 HydrophobicContact CD2-CG1 3.82Å; F9-V30 HydrophobicContact CE2-CB 3.9Å; F9-V30 HydrophobicContact CE2-CG1 3.84Å; F9-V30 HydrophobicContact CE2-CG2 4.32Å; A25-V30 CarbonylContact C-O 3.55Å; A25-V30 VanDerWaalsContact C-O 3.24Å; A25-V30 VanDerWaalsContact CB-O 3.27Å; A25-V30 WeakPolarHBondContact CB-O 3.37Å; A25-V30 PolarHBondContact O-N 3.24Å; L28-V30 HydrophobicContact CB-CG2 4.27Å; L28-V30 PolarHBondContact O-N 3.44Å | ||
| 31 | P | 98 | Very high | 95.4 | Very high | 60 Ų | 60 | 46.3 Ų | 46.3 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | trans | -57.7 | 144.9 | 174.2 | -25.8 | 33.8 | 0 | 0 | 0 | 113.2 | E7 R8 F9 | E7-P31 WeakPolarHBondContact O-CD 3.37Å; R8-P31 WeakPolarHBondContact CA-O 3.28Å; R8-P31 HydrophobicContact CG-CB 4.27Å; R8-P31 WeakPolarHBondContact CG-O 3.47Å; F9-P31 PolarHBondContact N-O 3.26Å | ||
| 32 | A | 98.3 | Very high | 95 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 139.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F9 A25 A53 I54 | F9-A32 CarbonylContact O-C 3.53Å; F9-A32 WeakPolarHBondContact O-CA 3.48Å; A25-A32 HydrophobicContact CB-CB 3.51Å; A32-A53 HydrophobicContact CB-CB 4.03Å; A32-I54 PolarHBondContact O-N 2.78Å |
| 33 | T | 98.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 57.3 Ų | 57.3 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 122.1 | 165.5 | -65.3 | 0 | 0 | 0 | 0 | 109.1 | R8 F9 V10 C11 V35 I54 V56 L72 | R8-T33 WeakPolarHBondContact CD-OG1 3.47Å; R8-T33 PolarHBondContact NH1-OG1 3.16Å; F9-T33 PolarHBondContact O-N 3.43Å; V10-T33 VanDerWaalsContact CA-O 3.29Å; V10-T33 WeakPolarHBondContact CA-O 3.36Å; C11-T33 PolarHBondContact N-O 2.84Å; T33-V35 HydrophobicContact CG2-CG2 4.28Å; T33-I54 CarbonylContact C-O 3.55Å; T33-I54 VanDerWaalsContact CA-O 3.22Å; T33-I54 WeakPolarHBondContact CA-O 3.41Å; T33-V56 HydrophobicContact CG2-CB 4.43Å; T33-V56 HydrophobicContact CG2-CG2 3.74Å; T33-L72 HydrophobicContact CG2-CD1 4.25Å |
| 34 | I | 98 | Very high | 94.1 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 116.6 | 175.7 | -48.6 | -62.6 | 0 | 0 | 0 | 108.3 | C11 S13 A21 A22 V36 L48 A53 I54 V55 V56 | C11-I34 HydrophobicContact CB-CD1 3.83Å; C11-I34 CarbonylContact O-C 3.59Å; C11-I34 VanDerWaalsContact O-CA 3.3Å; C11-I34 WeakPolarHBondContact O-CA 3.4Å; S13-I34 WeakPolarHBondContact O-CG2 3.32Å; A21-I34 HydrophobicContact CB-CD1 4.23Å; A22-I34 HydrophobicContact CB-CD1 4.36Å; A22-I34 HydrophobicContact CB-CG1 4.4Å; I34-V36 HydrophobicContact CG2-CG1 3.92Å; I34-L48 HydrophobicContact CB-CD1 4.34Å; I34-L48 HydrophobicContact CG1-CD2 4.18Å; I34-L48 HydrophobicContact CG2-CD1 3.83Å; I34-L48 HydrophobicContact CG2-CD2 4.19Å; I34-A53 HydrophobicContact CG1-CB 3.81Å; I34-I54 PolarHBondContact N-O 3.08Å; I34-V55 CarbonylContact O-C 3.24Å; I34-V55 WeakPolarHBondContact O-CA 3.47Å; I34-V56 PolarHBondContact O-N 3.02Å |
| 35 | V | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 125.4 | 177.9 | -169 | 0 | 0 | 0 | 0 | 108.8 | V10 C11 C12 T33 V56 H58 Y68 L72 | V10-V35 HydrophobicContact CG1-CG2 4.18Å; C11-V35 PolarHBondContact O-N 3.28Å; C12-V35 WeakPolarHBondContact CA-O 3.27Å; T33-V35 HydrophobicContact CG2-CG2 4.28Å; V35-V56 CarbonylContact C-O 3.56Å; V35-V56 VanDerWaalsContact CA-O 3.3Å; V35-V56 WeakPolarHBondContact CA-O 3.32Å; V35-H58 HydrophobicContact CG1-CB 4.02Å; V35-Y68 HydrophobicContact CG1-CD1 3.77Å; V35-Y68 HydrophobicContact CG2-CD1 4.17Å; V35-L72 HydrophobicContact CG2-CD1 4.07Å |
| 36 | V | 94.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 149.8 | -178.1 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | I34 T40 V45 L48 V55 V56 V57 H58 | I34-V36 HydrophobicContact CG2-CG1 3.92Å; V36-T40 HydrophobicContact CB-CG2 4.09Å; V36-T40 WeakPolarHBondContact CB-OG1 3.34Å; V36-T40 HydrophobicContact CG1-CG2 4.43Å; V36-T40 HydrophobicContact CG2-CG2 4.15Å; V36-V45 HydrophobicContact CG2-CG2 4.24Å; V36-L48 HydrophobicContact CG1-CD1 4.17Å; V36-V55 HydrophobicContact CG1-CG1 4.36Å; V36-V55 HydrophobicContact CG2-CG1 3.78Å; V36-V56 PolarHBondContact N-O 3.42Å; V36-V57 HydrophobicContact CG2-CG2 4.06Å; V36-V57 CarbonylContact O-C 3.56Å; V36-V57 VanDerWaalsContact O-CA 3.29Å; V36-V57 WeakPolarHBondContact O-CA 3.49Å; V36-H58 PolarHBondContact O-N 3.19Å |
| 37 | P | 91.3 | Very high | 93.5 | Very high | 12 Ų | 12 | 52.5 Ų | 52.5 | 8% | 0.078 | 30% | 0.296 | C | S | . | . | trans | -73.9 | 162.1 | 176.2 | 30.2 | -36 | 0 | 0 | 0 | 111.2 | I39 T40 G59 S65 | P37-I39 HydrophobicContact CB-CG1 4.06Å; P37-I39 HydrophobicContact CG-CD1 4.47Å; P37-I39 HydrophobicContact CG-CG1 3.85Å; P37-I39 PolarHBondContact O-N 3.25Å; P37-I39 VanDerWaalsContact O-N 3.15Å; P37-T40 VanDerWaalsContact CD-OG1 3.29Å; P37-T40 WeakPolarHBondContact CD-OG1 3.39Å; P37-T40 VanDerWaalsContact O-CB 3.24Å; P37-T40 WeakPolarHBondContact O-CB 3.27Å; P37-T40 PolarHBondContact O-N 3.42Å; P37-T40 PolarHBondContact O-OG1 3.31Å; P37-G59 CarbonylContact C-O 3.59Å; P37-G59 WeakPolarHBondContact CA-O 3.26Å; P37-S65 WeakPolarHBondContact CA-OG 3.36Å; P37-S65 WeakPolarHBondContact CD-OG 3.36Å; P37-S65 VanDerWaalsContact N-OG 3.13Å | ||
| 38 | S | 90 | Very high | 93.4 | Very high | 72 Ų | 72 | 47.1 Ų | 47.1 | 50% | 0.503 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25.2 | -179.1 | 62.2 | 0 | 0 | 0 | 0 | 114.2 | T40 G59 | S38-T40 PolarHBondContact O-N 3.05Å; S38-G59 PolarHBondContact N-O 2.99Å; S38-G59 PolarHBondContact OG-O 3.03Å |
| 39 | I | 85.4 | Confident | 93.4 | Very high | 131 Ų | 131 | 46.8 Ų | 46.8 | 67% | 0.672 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -6 | 176.7 | 62.9 | 168.3 | 0 | 0 | 0 | 114 | P37 | P37-I39 HydrophobicContact CB-CG1 4.06Å; P37-I39 HydrophobicContact CG-CD1 4.47Å; P37-I39 HydrophobicContact CG-CG1 3.85Å; P37-I39 PolarHBondContact O-N 3.25Å; P37-I39 VanDerWaalsContact O-N 3.15Å |
| 40 | T | 86.8 | Confident | 93.3 | Very high | 19 Ų | 19 | 49 Ų | 49 | 12% | 0.117 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -67.9 | 127.1 | -177.2 | -55.5 | 0 | 0 | 0 | 0 | 110.4 | V36 P37 S38 N42 T44 V45 | V36-T40 HydrophobicContact CB-CG2 4.09Å; V36-T40 WeakPolarHBondContact CB-OG1 3.34Å; V36-T40 HydrophobicContact CG1-CG2 4.43Å; V36-T40 HydrophobicContact CG2-CG2 4.15Å; P37-T40 VanDerWaalsContact CD-OG1 3.29Å; P37-T40 WeakPolarHBondContact CD-OG1 3.39Å; P37-T40 VanDerWaalsContact O-CB 3.24Å; P37-T40 WeakPolarHBondContact O-CB 3.27Å; P37-T40 PolarHBondContact O-N 3.42Å; P37-T40 PolarHBondContact O-OG1 3.31Å; S38-T40 PolarHBondContact O-N 3.05Å; T40-N42 PolarHBondContact O-N 3.06Å; T40-T44 HydrophobicContact CG2-CG2 3.87Å; T40-V45 HydrophobicContact CG2-CG2 4.16Å |
| 41 | P | 87.4 | Confident | 93.2 | Very high | 71 Ų | 71 | 49.9 Ų | 49.9 | 46% | 0.461 | 26% | 0.264 | S | S | . | . | trans | -58.2 | 139.7 | 179.8 | -25.1 | 34.3 | 0 | 0 | 0 | 112.6 | Q43 T44 V45 | P41-Q43 PolarHBondContact O-N 2.83Å; P41-Q43 VanDerWaalsContact O-N 3.17Å; P41-T44 WeakPolarHBondContact O-CA 3.38Å; P41-T44 VanDerWaalsContact O-CB 3.25Å; P41-T44 WeakPolarHBondContact O-CB 3.47Å; P41-T44 PolarHBondContact O-N 3.3Å; P41-V45 PolarHBondContact O-N 2.98Å | ||
| 42 | N | 89.2 | Confident | 93.1 | Very high | 133 Ų | 133 | 50 Ų | 50 | 71% | 0.711 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -55.6 | -36.6 | 178.5 | -73.6 | -18.9 | 0 | 0 | 0 | 112.8 | T40 T44 V45 E46 | T40-N42 PolarHBondContact O-N 3.06Å; N42-T44 VanDerWaalsContact C-N 3.25Å; N42-T44 PolarHBondContact O-N 3.43Å; N42-V45 WeakPolarHBondContact O-CB 3.43Å; N42-V45 PolarHBondContact O-N 2.84Å; N42-V45 VanDerWaalsContact O-N 3.14Å; N42-E46 WeakPolarHBondContact O-CG 3.46Å; N42-E46 PolarHBondContact O-N 2.83Å |
| 43 | Q | 88.6 | Confident | 93.1 | Very high | 109 Ų | 109 | 50.1 Ų | 50.1 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.8 | -37.2 | 176.8 | -67.1 | 178.4 | 2 | 0 | 0 | 112.3 | P41 R47 | P41-Q43 PolarHBondContact O-N 2.83Å; P41-Q43 VanDerWaalsContact O-N 3.17Å; Q43-R47 WeakPolarHBondContact O-CG 3.42Å; Q43-R47 PolarHBondContact O-N 2.89Å; Q43-R47 VanDerWaalsContact O-N 3.1Å |
| 44 | T | 89.7 | Confident | 93.1 | Very high | 9 Ų | 9 | 54 Ų | 54 | 6% | 0.055 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.5 | -43.3 | 175.4 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | G14 T40 P41 N42 E46 R47 L48 | G14-T44 WeakPolarHBondContact O-CG2 3.16Å; T40-T44 HydrophobicContact CG2-CG2 3.87Å; P41-T44 WeakPolarHBondContact O-CA 3.38Å; P41-T44 VanDerWaalsContact O-CB 3.25Å; P41-T44 WeakPolarHBondContact O-CB 3.47Å; P41-T44 PolarHBondContact O-N 3.3Å; N42-T44 VanDerWaalsContact C-N 3.25Å; N42-T44 PolarHBondContact O-N 3.43Å; T44-E46 PolarHBondContact O-N 2.98Å; T44-R47 PolarHBondContact O-N 3.14Å; T44-L48 HydrophobicContact CG2-CD1 4.46Å; T44-L48 WeakPolarHBondContact O-CG 3.34Å; T44-L48 PolarHBondContact O-N 3.37Å |
| 45 | V | 93.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 55.2 Ų | 55.2 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 175.7 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | V36 T40 P41 N42 L48 K49 V55 | V36-V45 HydrophobicContact CG2-CG2 4.24Å; T40-V45 HydrophobicContact CG2-CG2 4.16Å; P41-V45 PolarHBondContact O-N 2.98Å; N42-V45 WeakPolarHBondContact O-CB 3.43Å; N42-V45 PolarHBondContact O-N 2.84Å; N42-V45 VanDerWaalsContact O-N 3.14Å; V45-L48 PolarHBondContact O-N 2.92Å; V45-K49 HydrophobicContact CG1-CD 4.36Å; V45-K49 WeakPolarHBondContact O-CG 3.4Å; V45-K49 PolarHBondContact O-N 3.32Å; V45-K49 VanDerWaalsContact O-N 3.09Å; V45-V55 HydrophobicContact CG1-CB 4.17Å; V45-V55 HydrophobicContact CG1-CG1 3.96Å; V45-V55 HydrophobicContact CG1-CG2 4.44Å; V45-V55 HydrophobicContact CG2-CG1 4.28Å |
| 46 | E | 94 | Very high | 93.1 | Very high | 91 Ų | 91 | 57 Ų | 57 | 43% | 0.425 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 179.4 | -66.1 | -50.5 | 125.8 | 0 | 0 | 111.9 | N42 T44 L48 K49 D50 | N42-E46 WeakPolarHBondContact O-CG 3.46Å; N42-E46 PolarHBondContact O-N 2.83Å; T44-E46 PolarHBondContact O-N 2.98Å; E46-L48 VanDerWaalsContact C-N 3.28Å; E46-L48 PolarHBondContact O-N 3.06Å; E46-K49 CarbonylContact O-C 3.55Å; E46-K49 WeakPolarHBondContact O-CA 3.39Å; E46-K49 WeakPolarHBondContact O-CB 3.4Å; E46-K49 PolarHBondContact O-N 2.87Å; E46-K49 IonicContact OE1-NZ 3.5Å; E46-K49 PolarHBondContact OE1-NZ 3.5Å; E46-K49 IonicContact OE2-NZ 2.62Å; E46-D50 VanDerWaalsContact O-CG 3.32Å; E46-D50 PolarHBondContact O-N 3.06Å |
| 47 | R | 93.2 | Very high | 93.1 | Very high | 72 Ų | 72 | 61 Ų | 61 | 27% | 0.272 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.9 | -36.5 | 175.6 | -74.5 | 174.5 | -176.6 | 173.7 | -3.6 | 113.5 | M19 Q43 T44 D50 Q51 N255 | M19-R47 HydrophobicContact CE-CB 4.3Å; M19-R47 HydrophobicContact SD-CB 4.05Å; Q43-R47 WeakPolarHBondContact O-CG 3.42Å; Q43-R47 PolarHBondContact O-N 2.89Å; Q43-R47 VanDerWaalsContact O-N 3.1Å; T44-R47 PolarHBondContact O-N 3.14Å; R47-D50 PolarHBondContact O-N 3.33Å; R47-Q51 PolarHBondContact O-N 3.37Å; R47-N255 PolarHBondContact NH1-O 3.36Å |
| 48 | L | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.2 | -40 | 175.2 | -69 | 163.5 | 0 | 0 | 0 | 111 | M19 I34 V36 T44 V45 E46 D50 Q51 A53 V55 | M19-L48 HydrophobicContact CG-CD2 4.01Å; M19-L48 HydrophobicContact SD-CD2 3.55Å; M19-L48 VanDerWaalsContact SD-CD2 3.55Å; M19-L48 HydrophobicContact SD-CG 3.96Å; I34-L48 HydrophobicContact CB-CD1 4.34Å; I34-L48 HydrophobicContact CG1-CD2 4.18Å; I34-L48 HydrophobicContact CG2-CD1 3.83Å; I34-L48 HydrophobicContact CG2-CD2 4.19Å; V36-L48 HydrophobicContact CG1-CD1 4.17Å; T44-L48 HydrophobicContact CG2-CD1 4.46Å; T44-L48 WeakPolarHBondContact O-CG 3.34Å; T44-L48 PolarHBondContact O-N 3.37Å; V45-L48 PolarHBondContact O-N 2.92Å; E46-L48 VanDerWaalsContact C-N 3.28Å; E46-L48 PolarHBondContact O-N 3.06Å; L48-D50 VanDerWaalsContact C-N 3.35Å; L48-Q51 WeakPolarHBondContact O-CB 3.39Å; L48-Q51 PolarHBondContact O-N 2.62Å; L48-A53 PolarHBondContact O-N 2.85Å; L48-V55 HydrophobicContact CB-CG2 3.55Å; L48-V55 HydrophobicContact CD1-CG2 4.31Å |
| 49 | K | 96.5 | Very high | 93.2 | Very high | 93 Ų | 93 | 61.4 Ų | 61.4 | 40% | 0.404 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.4 | -35.8 | 174.1 | -68.1 | 174.2 | -175.4 | 166.9 | 0 | 112.4 | V45 E46 Q51 G52 V55 | V45-K49 HydrophobicContact CG1-CD 4.36Å; V45-K49 WeakPolarHBondContact O-CG 3.4Å; V45-K49 PolarHBondContact O-N 3.32Å; V45-K49 VanDerWaalsContact O-N 3.09Å; E46-K49 CarbonylContact O-C 3.55Å; E46-K49 WeakPolarHBondContact O-CA 3.39Å; E46-K49 WeakPolarHBondContact O-CB 3.4Å; E46-K49 PolarHBondContact O-N 2.87Å; E46-K49 IonicContact OE1-NZ 3.5Å; E46-K49 PolarHBondContact OE1-NZ 3.5Å; E46-K49 IonicContact OE2-NZ 2.62Å; K49-Q51 PolarHBondContact O-N 2.66Å; K49-G52 WeakPolarHBondContact O-CA 3.36Å; K49-G52 PolarHBondContact O-N 3.23Å; K49-V55 HydrophobicContact CG-CB 4.48Å; K49-V55 HydrophobicContact CG-CG2 3.82Å |
| 50 | D | 95.9 | Very high | 93.1 | Very high | 116 Ų | 116 | 62.3 Ų | 62.3 | 62% | 0.62 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62.2 | -23.5 | 174.5 | -68.6 | -22.9 | 0 | 0 | 0 | 112.3 | R26 E46 R47 L48 G52 | R26-D50 PolarHBondContact NH1-O 3.12Å; E46-D50 VanDerWaalsContact O-CG 3.32Å; E46-D50 PolarHBondContact O-N 3.06Å; R47-D50 PolarHBondContact O-N 3.33Å; L48-D50 VanDerWaalsContact C-N 3.35Å; D50-G52 PolarHBondContact O-N 3.27Å |
| 51 | Q | 96.1 | Very high | 92.6 | Very high | 38 Ų | 38 | 63.2 Ų | 63.2 | 18% | 0.178 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 1.8 | 169.9 | -59.7 | -54.6 | -41.9 | 0 | 0 | 113.5 | M19 A22 R26 R47 L48 K49 A53 | M19-Q51 HydrophobicContact CE-CG 3.54Å; M19-Q51 HydrophobicContact SD-CG 4.26Å; A22-Q51 HydrophobicContact CB-CB 3.66Å; A22-Q51 HydrophobicContact CB-CG 4.31Å; R26-Q51 WeakPolarHBondContact CD-O 3.37Å; R47-Q51 PolarHBondContact O-N 3.37Å; L48-Q51 WeakPolarHBondContact O-CB 3.39Å; L48-Q51 PolarHBondContact O-N 2.62Å; K49-Q51 PolarHBondContact O-N 2.66Å; Q51-A53 VanDerWaalsContact C-N 3.33Å |
| 52 | G | 95.9 | Very high | 92.3 | Very high | 62 Ų | 62 | 63.8 Ų | 63.8 | 64% | 0.639 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 10.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | K49 D50 | K49-G52 WeakPolarHBondContact O-CA 3.36Å; K49-G52 PolarHBondContact O-N 3.23Å; D50-G52 PolarHBondContact O-N 3.27Å |
| 53 | A | 97.7 | Very high | 91.9 | Very high | 8 Ų | 8 | 62.4 Ų | 62.4 | 7% | 0.066 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 147.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A22 A32 I34 L48 Q51 | A22-A53 HydrophobicContact CB-CB 3.65Å; A32-A53 HydrophobicContact CB-CB 4.03Å; I34-A53 HydrophobicContact CG1-CB 3.81Å; L48-A53 PolarHBondContact O-N 2.85Å; Q51-A53 VanDerWaalsContact C-N 3.33Å |
| 54 | I | 97.8 | Very high | 91.7 | Very high | 86 Ų | 86 | 61.1 Ų | 61.1 | 44% | 0.441 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 119.6 | 167.2 | -71 | 159.7 | 0 | 0 | 0 | 107.7 | A32 T33 I34 V56 | A32-I54 PolarHBondContact O-N 2.78Å; T33-I54 CarbonylContact C-O 3.55Å; T33-I54 VanDerWaalsContact CA-O 3.22Å; T33-I54 WeakPolarHBondContact CA-O 3.41Å; I34-I54 PolarHBondContact N-O 3.08Å; I54-V56 HydrophobicContact CG2-CG2 4.2Å |
| 55 | V | 97.6 | Very high | 91.8 | Very high | 25 Ų | 25 | 60.7 Ų | 60.7 | 15% | 0.152 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 122.4 | 176.8 | -173 | 0 | 0 | 0 | 0 | 109.4 | I34 V36 V45 L48 K49 | I34-V55 CarbonylContact O-C 3.24Å; I34-V55 WeakPolarHBondContact O-CA 3.47Å; V36-V55 HydrophobicContact CG1-CG1 4.36Å; V36-V55 HydrophobicContact CG2-CG1 3.78Å; V45-V55 HydrophobicContact CG1-CB 4.17Å; V45-V55 HydrophobicContact CG1-CG1 3.96Å; V45-V55 HydrophobicContact CG1-CG2 4.44Å; V45-V55 HydrophobicContact CG2-CG1 4.28Å; L48-V55 HydrophobicContact CB-CG2 3.55Å; L48-V55 HydrophobicContact CD1-CG2 4.31Å; K49-V55 HydrophobicContact CG-CB 4.48Å; K49-V55 HydrophobicContact CG-CG2 3.82Å |
| 56 | V | 97.3 | Very high | 91.6 | Very high | 37 Ų | 37 | 62.8 Ų | 62.8 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 119.2 | 175.5 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | T33 I34 V35 V36 I54 H58 Y68 | T33-V56 HydrophobicContact CG2-CB 4.43Å; T33-V56 HydrophobicContact CG2-CG2 3.74Å; I34-V56 PolarHBondContact O-N 3.02Å; V35-V56 CarbonylContact C-O 3.56Å; V35-V56 VanDerWaalsContact CA-O 3.3Å; V35-V56 WeakPolarHBondContact CA-O 3.32Å; V36-V56 PolarHBondContact N-O 3.42Å; I54-V56 HydrophobicContact CG2-CG2 4.2Å; V56-H58 HydrophobicContact CG1-CB 4.33Å; V56-Y68 HydrophobicContact CG1-CE1 3.75Å |
| 57 | V | 96 | Very high | 91.6 | Very high | 84 Ų | 84 | 61.2 Ų | 61.2 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 112.6 | 173.9 | -176 | 0 | 0 | 0 | 0 | 108.3 | V36 | V36-V57 HydrophobicContact CG2-CG2 4.06Å; V36-V57 CarbonylContact O-C 3.56Å; V36-V57 VanDerWaalsContact O-CA 3.29Å; V36-V57 WeakPolarHBondContact O-CA 3.49Å |
| 58 | H | 95.4 | Very high | 91.7 | Very high | 76 Ų | 76 | 60.8 Ų | 60.8 | 35% | 0.352 | 34% | 0.338 | S | S | . | . | trans | -148.3 | 131.1 | -179.3 | -166 | 95.8 | 0 | 0 | 0 | 112 | V35 V36 V56 S65 Y68 | V35-H58 HydrophobicContact CG1-CB 4.02Å; V36-H58 PolarHBondContact O-N 3.19Å; V56-H58 HydrophobicContact CG1-CB 4.33Å; H58-S65 WeakPolarHBondContact O-CB 3.45Å; H58-S65 PolarHBondContact O-OG 2.91Å; H58-Y68 HydrophobicContact CB-CD1 3.83Å; H58-Y68 HydrophobicContact CB-CE1 4.21Å; H58-Y68 HydrophobicContact CB-CG 4.08Å; H58-Y68 VanDerWaalsContact CD2-CB 3.4Å; H58-Y68 WeakPolarHBondContact CD2-CB 3.22Å; H58-Y68 AromaticContact CD2-CD2 3.74Å; H58-Y68 AromaticContact CD2-CG 3.49Å; H58-Y68 VanDerWaalsContact CD2-CG 3.49Å; H58-Y68 AromaticContact CE1-CD2 3.56Å; H58-Y68 AromaticContact CE1-CE2 3.85Å; H58-Y68 AromaticContact CG-CD1 3.81Å; H58-Y68 AromaticContact CG-CD2 3.83Å; H58-Y68 AromaticContact CG-CG 3.57Å; H58-Y68 AromaticContact ND1-CD2 3.73Å; H58-Y68 AromaticContact ND1-CE2 3.82Å; H58-Y68 AromaticContact ND1-CG 3.95Å; H58-Y68 AromaticContact NE2-CD2 3.56Å; H58-Y68 AromaticContact NE2-CG 3.83Å | ||
| 59 | G | 87.2 | Confident | 91.7 | Very high | 17 Ų | 17 | 60.8 Ų | 60.8 | 18% | 0.175 | 34% | 0.338 | C | S | . | . | trans | 86.9 | 156.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P37 S38 | P37-G59 CarbonylContact C-O 3.59Å; P37-G59 WeakPolarHBondContact CA-O 3.26Å; S38-G59 PolarHBondContact N-O 2.99Å; S38-G59 PolarHBondContact OG-O 3.03Å | ||
| 60 | E | 82.4 | Confident | 91.6 | Very high | 150 Ų | 150 | 61.3 Ų | 61.3 | 70% | 0.701 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -86.3 | -28.1 | 172.2 | -62.7 | -172.3 | 172.3 | 0 | 0 | 110.9 | E64 | E60-E64 PolarHBondContact N-OE1 3.02Š|
| 61 | A | 77.7 | Confident | 91.7 | Very high | 39 Ų | 39 | 60.9 Ų | 60.9 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -123.9 | 161.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N63 E64 S65 | A61-N63 VanDerWaalsContact C-N 3.29Å; A61-N63 WeakPolarHBondContact CB-OD1 3.34Å; A61-N63 PolarHBondContact O-N 3.31Å; A61-E64 PolarHBondContact N-OE1 3.35Å; A61-E64 WeakPolarHBondContact O-CB 3.49Å; A61-E64 PolarHBondContact O-N 2.61Å; A61-E64 VanDerWaalsContact O-N 3.16Å; A61-S65 PolarHBondContact O-N 3.4Å; A61-S65 PolarHBondContact O-OG 3.28Å |
| 62 | L | 79.8 | Confident | 91.7 | Very high | 82 Ų | 82 | 60.3 Ų | 60.3 | 43% | 0.429 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.8 | -35.3 | -175.2 | 180 | 62.6 | 0 | 0 | 0 | 113.3 | C12 E64 S65 I66 | C12-L62 WeakPolarHBondContact O-CD1 3.2Å; L62-E64 VanDerWaalsContact C-N 3.32Å; L62-E64 PolarHBondContact O-N 3.04Å; L62-S65 WeakPolarHBondContact O-CB 3.46Å; L62-S65 PolarHBondContact O-N 3.2Å; L62-I66 HydrophobicContact CD1-CD1 4.42Å; L62-I66 HydrophobicContact CD1-CG1 4.44Å; L62-I66 HydrophobicContact CD2-CD1 4.49Å; L62-I66 HydrophobicContact CG-CD1 3.94Å; L62-I66 HydrophobicContact CG-CG1 4.41Å; L62-I66 VanDerWaalsContact O-CG1 3.3Å; L62-I66 WeakPolarHBondContact O-CG1 3.4Å; L62-I66 PolarHBondContact O-N 3.32Å |
| 63 | N | 81.4 | Confident | 91.8 | Very high | 104 Ų | 104 | 59 Ų | 59 | 56% | 0.556 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.7 | -36.5 | 177.7 | 60.8 | -40.1 | 0 | 0 | 0 | 112.7 | A61 S67 | A61-N63 VanDerWaalsContact C-N 3.29Å; A61-N63 WeakPolarHBondContact CB-OD1 3.34Å; A61-N63 PolarHBondContact O-N 3.31Å; N63-S67 WeakPolarHBondContact O-CB 3.45Å; N63-S67 PolarHBondContact O-N 2.81Å; N63-S67 PolarHBondContact O-OG 3.19Å |
| 64 | E | 85.1 | Confident | 91.7 | Very high | 82 Ų | 82 | 62.5 Ų | 62.5 | 38% | 0.383 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.7 | -43.9 | 174.3 | -65.2 | 176.2 | -93.3 | 0 | 0 | 110.7 | E60 A61 L62 I66 S67 Y68 | E60-E64 PolarHBondContact N-OE1 3.02Å; A61-E64 PolarHBondContact N-OE1 3.35Å; A61-E64 WeakPolarHBondContact O-CB 3.49Å; A61-E64 PolarHBondContact O-N 2.61Å; A61-E64 VanDerWaalsContact O-N 3.16Å; L62-E64 VanDerWaalsContact C-N 3.32Å; L62-E64 PolarHBondContact O-N 3.04Å; E64-I66 VanDerWaalsContact C-N 3.32Å; E64-I66 PolarHBondContact O-N 3.08Å; E64-S67 PolarHBondContact O-N 3.48Å; E64-Y68 WeakPolarHBondContact O-CB 3.4Å; E64-Y68 PolarHBondContact O-N 2.88Å |
| 65 | S | 90.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.3 | -42 | 174.3 | -51.9 | 0 | 0 | 0 | 0 | 112 | C12 P37 H58 A61 L62 Y68 G69 | C12-S65 PolarHBondContact SG-O 2.85Å; P37-S65 WeakPolarHBondContact CA-OG 3.36Å; P37-S65 WeakPolarHBondContact CD-OG 3.36Å; P37-S65 VanDerWaalsContact N-OG 3.13Å; H58-S65 WeakPolarHBondContact O-CB 3.45Å; H58-S65 PolarHBondContact O-OG 2.91Å; A61-S65 PolarHBondContact O-N 3.4Å; A61-S65 PolarHBondContact O-OG 3.28Å; L62-S65 WeakPolarHBondContact O-CB 3.46Å; L62-S65 PolarHBondContact O-N 3.2Å; S65-Y68 PolarHBondContact O-N 3.11Å; S65-G69 PolarHBondContact O-N 3.05Å |
| 66 | I | 90 | Very high | 91.7 | Very high | 57 Ų | 57 | 65.6 Ų | 65.6 | 29% | 0.292 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.2 | -50.3 | 175.1 | -70.7 | 165.6 | 0 | 0 | 0 | 110.7 | C12 L62 E64 Y68 G69 Q70 F81 | C12-I66 HydrophobicContact CB-CB 4.35Å; C12-I66 HydrophobicContact CB-CG1 3.68Å; L62-I66 HydrophobicContact CD1-CD1 4.42Å; L62-I66 HydrophobicContact CD1-CG1 4.44Å; L62-I66 HydrophobicContact CD2-CD1 4.49Å; L62-I66 HydrophobicContact CG-CD1 3.94Å; L62-I66 HydrophobicContact CG-CG1 4.41Å; L62-I66 VanDerWaalsContact O-CG1 3.3Å; L62-I66 WeakPolarHBondContact O-CG1 3.4Å; L62-I66 PolarHBondContact O-N 3.32Å; E64-I66 VanDerWaalsContact C-N 3.32Å; E64-I66 PolarHBondContact O-N 3.08Å; I66-Y68 VanDerWaalsContact C-N 3.28Å; I66-Y68 PolarHBondContact O-N 3.1Å; I66-G69 PolarHBondContact O-N 2.67Å; I66-G69 VanDerWaalsContact O-N 3.17Å; I66-Q70 HydrophobicContact CG2-CG 4.4Å; I66-Q70 WeakPolarHBondContact O-CG 3.36Å; I66-Q70 PolarHBondContact O-N 3.02Å; I66-F81 HydrophobicContact CG2-CZ 4.49Å |
| 67 | S | 92.5 | Very high | 91.7 | Very high | 58 Ų | 58 | 69.3 Ų | 69.3 | 41% | 0.406 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.9 | -43.2 | 179.5 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | N63 E64 Q70 Q71 | N63-S67 WeakPolarHBondContact O-CB 3.45Å; N63-S67 PolarHBondContact O-N 2.81Å; N63-S67 PolarHBondContact O-OG 3.19Å; E64-S67 PolarHBondContact O-N 3.48Å; S67-Q70 PolarHBondContact O-N 3.43Å; S67-Q71 VanDerWaalsContact O-CG 3.31Å; S67-Q71 WeakPolarHBondContact O-CG 3.39Å; S67-Q71 PolarHBondContact O-N 2.9Å |
| 68 | Y | 96 | Very high | 91.7 | Very high | 62 Ų | 62 | 66.9 Ų | 66.9 | 24% | 0.243 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.2 | -44 | 176.1 | -179.1 | -102.1 | 0 | 0 | 0 | 112.6 | V35 V56 H58 E64 S65 I66 Q70 Q71 L72 | V35-Y68 HydrophobicContact CG1-CD1 3.77Å; V35-Y68 HydrophobicContact CG2-CD1 4.17Å; V56-Y68 HydrophobicContact CG1-CE1 3.75Å; H58-Y68 HydrophobicContact CB-CD1 3.83Å; H58-Y68 HydrophobicContact CB-CE1 4.21Å; H58-Y68 HydrophobicContact CB-CG 4.08Å; H58-Y68 VanDerWaalsContact CD2-CB 3.4Å; H58-Y68 WeakPolarHBondContact CD2-CB 3.22Å; H58-Y68 AromaticContact CD2-CD2 3.74Å; H58-Y68 AromaticContact CD2-CG 3.49Å; H58-Y68 VanDerWaalsContact CD2-CG 3.49Å; H58-Y68 AromaticContact CE1-CD2 3.56Å; H58-Y68 AromaticContact CE1-CE2 3.85Å; H58-Y68 AromaticContact CG-CD1 3.81Å; H58-Y68 AromaticContact CG-CD2 3.83Å; H58-Y68 AromaticContact CG-CG 3.57Å; H58-Y68 AromaticContact ND1-CD2 3.73Å; H58-Y68 AromaticContact ND1-CE2 3.82Å; H58-Y68 AromaticContact ND1-CG 3.95Å; H58-Y68 AromaticContact NE2-CD2 3.56Å; H58-Y68 AromaticContact NE2-CG 3.83Å; E64-Y68 WeakPolarHBondContact O-CB 3.4Å; E64-Y68 PolarHBondContact O-N 2.88Å; S65-Y68 PolarHBondContact O-N 3.11Å; I66-Y68 VanDerWaalsContact C-N 3.28Å; I66-Y68 PolarHBondContact O-N 3.1Å; Y68-Q70 VanDerWaalsContact C-N 3.31Å; Y68-Q70 PolarHBondContact O-N 3.47Å; Y68-Q71 WeakPolarHBondContact O-CB 2.88Å; Y68-Q71 PolarHBondContact O-N 3.46Å; Y68-Q71 VanDerWaalsContact O-N 3.15Å; Y68-L72 HydrophobicContact CD1-CD1 4.03Å; Y68-L72 HydrophobicContact CD1-CG 4.23Å; Y68-L72 HydrophobicContact CE1-CD1 3.58Å; Y68-L72 HydrophobicContact CE1-CD2 4.16Å; Y68-L72 HydrophobicContact CE1-CG 3.84Å; Y68-L72 WeakPolarHBondContact O-CG 3.42Å; Y68-L72 PolarHBondContact O-N 2.81Å |
| 69 | G | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.6 | -37.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | S65 I66 L72 V73 | S65-G69 PolarHBondContact O-N 3.05Å; I66-G69 PolarHBondContact O-N 2.67Å; I66-G69 VanDerWaalsContact O-N 3.17Å; G69-L72 WeakPolarHBondContact O-CB 3.45Å; G69-L72 PolarHBondContact O-N 3.5Å; G69-V73 WeakPolarHBondContact O-CG2 3.43Å; G69-V73 PolarHBondContact O-N 2.79Å; G69-V73 VanDerWaalsContact O-N 3.13Å |
| 70 | Q | 94.9 | Very high | 92.3 | Very high | 104 Ų | 104 | 66.5 Ų | 66.5 | 49% | 0.486 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 172.5 | -72.2 | 176.1 | -18.8 | 0 | 0 | 111.7 | I66 S67 Y68 V73 A74 F81 | I66-Q70 HydrophobicContact CG2-CG 4.4Å; I66-Q70 WeakPolarHBondContact O-CG 3.36Å; I66-Q70 PolarHBondContact O-N 3.02Å; S67-Q70 PolarHBondContact O-N 3.43Å; Y68-Q70 VanDerWaalsContact C-N 3.31Å; Y68-Q70 PolarHBondContact O-N 3.47Å; Q70-V73 PolarHBondContact O-N 2.78Å; Q70-A74 WeakPolarHBondContact O-CB 3.26Å; Q70-A74 PolarHBondContact O-N 3.5Å; Q70-F81 HydrophobicContact CG-CD2 4.32Å; Q70-F81 HydrophobicContact CG-CE2 4.18Å |
| 71 | Q | 96.9 | Very high | 93 | Very high | 108 Ų | 108 | 62 Ų | 62 | 51% | 0.505 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 173.6 | -71.8 | 171.2 | 15.8 | 0 | 0 | 112 | S67 Y68 V73 A74 N75 | S67-Q71 VanDerWaalsContact O-CG 3.31Å; S67-Q71 WeakPolarHBondContact O-CG 3.39Å; S67-Q71 PolarHBondContact O-N 2.9Å; Y68-Q71 WeakPolarHBondContact O-CB 2.88Å; Y68-Q71 PolarHBondContact O-N 3.46Å; Y68-Q71 VanDerWaalsContact O-N 3.15Å; Q71-V73 VanDerWaalsContact C-N 3.3Å; Q71-V73 PolarHBondContact O-N 2.62Å; Q71-A74 PolarHBondContact O-N 3.06Å; Q71-N75 VanDerWaalsContact O-CB 3.3Å; Q71-N75 WeakPolarHBondContact O-CB 3.16Å; Q71-N75 PolarHBondContact O-N 3.42Å; Q71-N75 PolarHBondContact O-ND2 3.02Å; Q71-N75 VanDerWaalsContact O-ND2 3.15Å |
| 72 | L | 96.9 | Very high | 93.8 | Very high | 26 Ų | 26 | 62 Ų | 62 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56.7 | -46.5 | 174.4 | -74.3 | 178.5 | 0 | 0 | 0 | 111.1 | V10 T33 V35 Y68 G69 N75 N76 W79 | V10-L72 HydrophobicContact CG1-CD1 4.44Å; T33-L72 HydrophobicContact CG2-CD1 4.25Å; V35-L72 HydrophobicContact CG2-CD1 4.07Å; Y68-L72 HydrophobicContact CD1-CD1 4.03Å; Y68-L72 HydrophobicContact CD1-CG 4.23Å; Y68-L72 HydrophobicContact CE1-CD1 3.58Å; Y68-L72 HydrophobicContact CE1-CD2 4.16Å; Y68-L72 HydrophobicContact CE1-CG 3.84Å; Y68-L72 WeakPolarHBondContact O-CG 3.42Å; Y68-L72 PolarHBondContact O-N 2.81Å; G69-L72 WeakPolarHBondContact O-CB 3.45Å; G69-L72 PolarHBondContact O-N 3.5Å; L72-N75 PolarHBondContact O-N 2.94Å; L72-N76 WeakPolarHBondContact O-CB 3.5Å; L72-N76 PolarHBondContact O-N 2.75Å; L72-N76 PolarHBondContact O-ND2 3.25Å; L72-W79 HydrophobicContact CB-CE3 4.23Å; L72-W79 HydrophobicContact CB-CZ3 4.06Å; L72-W79 HydrophobicContact CD1-CZ3 4.45Å; L72-W79 HydrophobicContact CD2-CZ3 4.33Å |
| 73 | V | 97.3 | Very high | 94.4 | Very high | 33 Ų | 33 | 59.1 Ų | 59.1 | 20% | 0.2 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 179 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | V10 G69 Q70 Q71 N75 N76 W79 F81 | V10-V73 HydrophobicContact CB-CG2 3.73Å; V10-V73 HydrophobicContact CG1-CG2 4.39Å; V10-V73 HydrophobicContact CG2-CG2 3.7Å; G69-V73 WeakPolarHBondContact O-CG2 3.43Å; G69-V73 PolarHBondContact O-N 2.79Å; G69-V73 VanDerWaalsContact O-N 3.13Å; Q70-V73 PolarHBondContact O-N 2.78Å; Q71-V73 VanDerWaalsContact C-N 3.3Å; Q71-V73 PolarHBondContact O-N 2.62Å; V73-N75 VanDerWaalsContact C-N 3.29Å; V73-N75 PolarHBondContact O-N 3.16Å; V73-N76 PolarHBondContact O-N 3.08Å; V73-W79 WeakPolarHBondContact CG1-O 3.16Å; V73-W79 HydrophobicContact CG2-CB 4.3Å; V73-F81 HydrophobicContact CG1-CB 4.46Å; V73-F81 HydrophobicContact CG2-CB 3.98Å; V73-F81 HydrophobicContact CG2-CD2 4.49Å |
| 74 | A | 97.1 | Very high | 94.8 | Very high | 83 Ų | 83 | 56.7 Ų | 56.7 | 69% | 0.686 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.3 | -34.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q70 Q71 | Q70-A74 WeakPolarHBondContact O-CB 3.26Å; Q70-A74 PolarHBondContact O-N 3.5Å; Q71-A74 PolarHBondContact O-N 3.06Å |
| 75 | N | 97.4 | Very high | 95 | Very high | 121 Ų | 121 | 54.6 Ų | 54.6 | 65% | 0.647 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -88.3 | -9.7 | -176.2 | -67.8 | -26.8 | 0 | 0 | 0 | 114.1 | Q71 L72 V73 | Q71-N75 VanDerWaalsContact O-CB 3.3Å; Q71-N75 WeakPolarHBondContact O-CB 3.16Å; Q71-N75 PolarHBondContact O-N 3.42Å; Q71-N75 PolarHBondContact O-ND2 3.02Å; Q71-N75 VanDerWaalsContact O-ND2 3.15Å; L72-N75 PolarHBondContact O-N 2.94Å; V73-N75 VanDerWaalsContact C-N 3.29Å; V73-N75 PolarHBondContact O-N 3.16Å |
| 76 | N | 97.7 | Very high | 95.1 | Very high | 55 Ų | 55 | 58.2 Ų | 58.2 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -128 | 99.6 | -175.7 | -64.8 | -88.8 | 0 | 0 | 0 | 110.1 | L72 V73 W79 | L72-N76 WeakPolarHBondContact O-CB 3.5Å; L72-N76 PolarHBondContact O-N 2.75Å; L72-N76 PolarHBondContact O-ND2 3.25Å; V73-N76 PolarHBondContact O-N 3.08Å; N76-W79 HydrophobicContact CB-CB 4.23Å; N76-W79 HydrophobicContact CB-CD2 3.43Å; N76-W79 VanDerWaalsContact CB-CD2 3.43Å; N76-W79 HydrophobicContact CB-CE3 4.01Å; N76-W79 HydrophobicContact CB-CG 3.52Å; N76-W79 HydrophobicContact CB-CZ2 4.13Å; N76-W79 WeakPolarHBondContact O-CB 3.42Å; N76-W79 PolarHBondContact O-N 3.11Å |
| 77 | P | 95.9 | Very high | 95.3 | Very high | 115 Ų | 115 | 57.5 Ų | 57.5 | 75% | 0.747 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 141.7 | 173.7 | -26.4 | 35.3 | 0 | 0 | 0 | 111.7 | W79 | P77-W79 VanDerWaalsContact C-N 3.26Å; P77-W79 PolarHBondContact O-N 3.43Å |
| 78 | G | 96 | Very high | 95.5 | Very high | 33 Ų | 33 | 58.8 Ų | 58.8 | 34% | 0.34 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | -6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | E7 | E7-G78 PolarHBondContact N-O 2.9Š|
| 79 | W | 98.1 | Very high | 95.6 | Very high | 50 Ų | 50 | 59.5 Ų | 59.5 | 19% | 0.189 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 144.6 | 173.5 | -67.6 | 30.1 | 0 | 0 | 0 | 110.6 | R8 V10 L72 V73 N76 P77 | R8-W79 HydrophobicContact CB-CD2 3.83Å; R8-W79 HydrophobicContact CB-CE3 4.49Å; R8-W79 HydrophobicContact CB-CG 3.82Å; R8-W79 VanDerWaalsContact CD-CH2 3.46Å; R8-W79 VanDerWaalsContact CD-CZ2 3.45Å; R8-W79 HydrophobicContact CG-CD2 4.12Å; R8-W79 HydrophobicContact CG-CE3 4.31Å; R8-W79 CarbonylContact O-C 3.58Å; R8-W79 WeakPolarHBondContact O-CA 3.48Å; V10-W79 HydrophobicContact CG2-CE3 3.6Å; V10-W79 HydrophobicContact CG2-CZ3 4.16Å; L72-W79 HydrophobicContact CB-CE3 4.23Å; L72-W79 HydrophobicContact CB-CZ3 4.06Å; L72-W79 HydrophobicContact CD1-CZ3 4.45Å; L72-W79 HydrophobicContact CD2-CZ3 4.33Å; V73-W79 WeakPolarHBondContact CG1-O 3.16Å; V73-W79 HydrophobicContact CG2-CB 4.3Å; N76-W79 HydrophobicContact CB-CB 4.23Å; N76-W79 HydrophobicContact CB-CD2 3.43Å; N76-W79 VanDerWaalsContact CB-CD2 3.43Å; N76-W79 HydrophobicContact CB-CE3 4.01Å; N76-W79 HydrophobicContact CB-CG 3.52Å; N76-W79 HydrophobicContact CB-CZ2 4.13Å; N76-W79 WeakPolarHBondContact O-CB 3.42Å; N76-W79 PolarHBondContact O-N 3.11Å; P77-W79 VanDerWaalsContact C-N 3.26Å; P77-W79 PolarHBondContact O-N 3.43Å |
| 80 | I | 97.6 | Very high | 95.6 | Very high | 35 Ų | 35 | 61.1 Ų | 61.1 | 18% | 0.179 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 127.4 | -176.7 | -60.1 | -64.4 | 0 | 0 | 0 | 110.2 | W1 C6 R8 F9 V10 | W1-I80 HydrophobicContact CB-CG1 4.41Å; W1-I80 HydrophobicContact CD2-CD1 4.23Å; W1-I80 HydrophobicContact CD2-CG1 4.29Å; W1-I80 HydrophobicContact CD2-CG2 4.03Å; W1-I80 HydrophobicContact CE3-CD1 3.86Å; W1-I80 HydrophobicContact CE3-CG1 4.27Å; W1-I80 HydrophobicContact CG-CG1 4.37Å; W1-I80 HydrophobicContact CG-CG2 3.93Å; W1-I80 HydrophobicContact CZ3-CD1 4.15Å; C6-I80 HydrophobicContact CB-CG1 4.06Å; C6-I80 VanDerWaalsContact SG-CG1 3.5Å; R8-I80 PolarHBondContact O-N 2.62Å; F9-I80 CarbonylContact C-O 3.47Å; F9-I80 WeakPolarHBondContact CA-O 3.41Å; F9-I80 HydrophobicContact CD1-CB 4.08Å; F9-I80 HydrophobicContact CD1-CG2 4.33Å; F9-I80 HydrophobicContact CE1-CB 4.24Å; F9-I80 HydrophobicContact CE1-CG2 4.36Å; V10-I80 PolarHBondContact N-O 2.75Å |
| 81 | F | 96.7 | Very high | 95.8 | Very high | 54 Ų | 54 | 57.2 Ų | 57.2 | 24% | 0.237 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 127.6 | 170.7 | -168.7 | -95.9 | 0 | 0 | 0 | 110 | V10 C12 I66 Q70 V73 | V10-F81 HydrophobicContact CG1-CD2 4.5Å; V10-F81 CarbonylContact O-C 3.49Å; V10-F81 WeakPolarHBondContact O-CA 3.49Å; C12-F81 HydrophobicContact CB-CE2 4.35Å; C12-F81 HydrophobicContact CB-CZ 4.36Å; I66-F81 HydrophobicContact CG2-CZ 4.49Å; Q70-F81 HydrophobicContact CG-CD2 4.32Å; Q70-F81 HydrophobicContact CG-CE2 4.18Å; V73-F81 HydrophobicContact CG1-CB 4.46Å; V73-F81 HydrophobicContact CG2-CB 3.98Å; V73-F81 HydrophobicContact CG2-CD2 4.49Å |
| 82 | V | 95.9 | Very high | 95.8 | Very high | 40 Ų | 40 | 56.6 Ų | 56.6 | 24% | 0.242 | 33% | 0.326 | C | S | . | . | trans | -104.1 | 106.7 | 175.9 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | F9 V10 C11 A21 | F9-V82 HydrophobicContact CB-CG2 4.07Å; F9-V82 HydrophobicContact CD1-CG2 3.59Å; F9-V82 HydrophobicContact CE1-CG2 4.41Å; F9-V82 HydrophobicContact CG-CG2 4.15Å; V10-V82 PolarHBondContact O-N 3.08Å; C11-V82 HydrophobicContact CB-CB 4.34Å; C11-V82 PolarHBondContact SG-O 3.06Å; A21-V82 HydrophobicContact CB-CG1 4.45Å | ||
| 83 | S | 92.4 | Very high | 95.9 | Very high | 22 Ų | 22 | 57.3 Ų | 57.3 | 15% | 0.154 | 34% | 0.34 | C | S | . | . | trans | -60 | 145.8 | 172.5 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | F85 D86 I90 | S83-F85 VanDerWaalsContact C-N 3.34Å; S83-D86 PolarHBondContact OG-N 2.88Å; S83-D86 PolarHBondContact OG-O 3.32Å; S83-I90 WeakPolarHBondContact O-CD1 3.39Å | ||
| 84 | P | 88.8 | Confident | 95.9 | Very high | 53 Ų | 53 | 59.2 Ų | 59.2 | 34% | 0.344 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -76.5 | -19.6 | 174.4 | 25.9 | -30.4 | 0 | 0 | 0 | 113.5 | A17 | A17-P84 HydrophobicContact CB-CB 3.57Š|
| 85 | F | 89.4 | Confident | 96 | Very high | 38 Ų | 38 | 56 Ų | 56 | 17% | 0.167 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -159.6 | -29.9 | -178.1 | 68.9 | -90.2 | 0 | 0 | 0 | 115.5 | S83 D87 W91 G118 G120 L174 | S83-F85 VanDerWaalsContact C-N 3.34Å; F85-D87 PolarHBondContact O-N 3Å; F85-W91 PolarHBondContact O-NE1 3.01Å; F85-G118 VanDerWaalsContact CD2-C 3.44Å; F85-G118 VanDerWaalsContact CD2-CA 3.47Å; F85-G118 WeakPolarHBondContact CD2-O 3.45Å; F85-G118 VanDerWaalsContact CE2-CA 3.45Å; F85-G118 WeakPolarHBondContact CE2-O 3.36Å; F85-G120 WeakPolarHBondContact O-CA 3.48Å; F85-L174 HydrophobicContact CD1-CD1 4.35Å; F85-L174 HydrophobicContact CD1-CG 4.46Å; F85-L174 HydrophobicContact CE1-CD1 3.71Å; F85-L174 HydrophobicContact CE1-CG 4.01Å; F85-L174 HydrophobicContact CZ-CD1 4.46Å |
| 86 | D | 92.9 | Very high | 96.1 | Very high | 76 Ų | 76 | 53 Ų | 53 | 41% | 0.406 | 31% | 0.307 | S | S | . | . | trans | -98.2 | 73.4 | -170.7 | -159.7 | 4.2 | 0 | 0 | 0 | 110.4 | S83 W91 S178 | S83-D86 PolarHBondContact OG-N 2.88Å; S83-D86 PolarHBondContact OG-O 3.32Å; D86-W91 VanDerWaalsContact OD1-CZ2 3.27Å; D86-W91 WeakPolarHBondContact OD1-CZ2 3.43Å; D86-S178 WeakPolarHBondContact OD1-CB 3.46Å | ||
| 87 | D | 95.7 | Very high | 96.1 | Very high | 42 Ų | 42 | 52.3 Ų | 52.3 | 23% | 0.225 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -154 | 132.7 | 173.6 | -171.9 | -61.2 | 0 | 0 | 0 | 108.9 | F85 L89 I90 W91 | F85-D87 PolarHBondContact O-N 3Å; D87-L89 PolarHBondContact O-N 3.46Å; D87-L89 WeakPolarHBondContact OD1-CB 3.35Å; D87-L89 PolarHBondContact OD1-N 2.91Å; D87-I90 HydrophobicContact CB-CB 4.38Å; D87-I90 HydrophobicContact CB-CD1 3.74Å; D87-I90 HydrophobicContact CB-CG1 3.95Å; D87-I90 WeakPolarHBondContact O-CB 3.48Å; D87-I90 PolarHBondContact O-N 3.12Å; D87-W91 PolarHBondContact O-N 3.46Å |
| 88 | P | 96.8 | Very high | 96.2 | Very high | 85 Ų | 85 | 46.8 Ų | 46.8 | 55% | 0.552 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -53.3 | -34.8 | 177.6 | -27.9 | 35.6 | 0 | 0 | 0 | 114.9 | I90 W91 E92 | P88-I90 VanDerWaalsContact C-N 3.3Å; P88-I90 PolarHBondContact O-N 3.42Å; P88-W91 HydrophobicContact CB-CE3 4.21Å; P88-W91 HydrophobicContact CB-CZ3 4.26Å; P88-W91 HydrophobicContact CG-CE3 4.35Å; P88-W91 HydrophobicContact CG-CH2 4.37Å; P88-W91 HydrophobicContact CG-CZ3 3.92Å; P88-W91 PolarHBondContact O-N 2.95Å; P88-E92 WeakPolarHBondContact O-CB 3.24Å; P88-E92 PolarHBondContact O-N 3.08Å |
| 89 | L | 96.3 | Very high | 96.4 | Very high | 76 Ų | 76 | 52.5 Ų | 52.5 | 40% | 0.398 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.3 | -29.1 | 177.7 | -65.5 | 175.2 | 0 | 0 | 0 | 112.3 | W1 D87 G93 | W1-L89 HydrophobicContact CZ2-CD1 4.17Å; D87-L89 PolarHBondContact O-N 3.46Å; D87-L89 WeakPolarHBondContact OD1-CB 3.35Å; D87-L89 PolarHBondContact OD1-N 2.91Å; L89-G93 PolarHBondContact O-N 3.27Å |
| 90 | I | 96.9 | Very high | 96.4 | Very high | 34 Ų | 34 | 56 Ų | 56 | 17% | 0.174 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.5 | -45.7 | 174.1 | -66.3 | 170.9 | 0 | 0 | 0 | 109.6 | S83 D87 P88 G93 H94 | S83-I90 WeakPolarHBondContact O-CD1 3.39Å; D87-I90 HydrophobicContact CB-CB 4.38Å; D87-I90 HydrophobicContact CB-CD1 3.74Å; D87-I90 HydrophobicContact CB-CG1 3.95Å; D87-I90 WeakPolarHBondContact O-CB 3.48Å; D87-I90 PolarHBondContact O-N 3.12Å; P88-I90 VanDerWaalsContact C-N 3.3Å; P88-I90 PolarHBondContact O-N 3.42Å; I90-G93 PolarHBondContact O-N 3.1Å; I90-H94 WeakPolarHBondContact CG2-NE2 3.34Å; I90-H94 PolarHBondContact O-CD2 3.11Å; I90-H94 PolarHBondContact O-N 2.82Å |
| 91 | W | 98.1 | Very high | 96.4 | Very high | 23 Ų | 23 | 55.8 Ų | 55.8 | 9% | 0.087 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 178.4 | -47.7 | -25.9 | 0 | 0 | 0 | 110.8 | F85 D86 D87 P88 G93 H94 T95 N123 G124 Q180 | F85-W91 PolarHBondContact O-NE1 3.01Å; D86-W91 VanDerWaalsContact OD1-CZ2 3.27Å; D86-W91 WeakPolarHBondContact OD1-CZ2 3.43Å; D87-W91 PolarHBondContact O-N 3.46Å; P88-W91 HydrophobicContact CB-CE3 4.21Å; P88-W91 HydrophobicContact CB-CZ3 4.26Å; P88-W91 HydrophobicContact CG-CE3 4.35Å; P88-W91 HydrophobicContact CG-CH2 4.37Å; P88-W91 HydrophobicContact CG-CZ3 3.92Å; P88-W91 PolarHBondContact O-N 2.95Å; W91-G93 VanDerWaalsContact C-N 3.31Å; W91-G93 PolarHBondContact O-N 2.88Å; W91-H94 CarbonylContact O-C 3.41Å; W91-H94 PolarHBondContact O-N 3.45Å; W91-T95 WeakPolarHBondContact O-CG2 3.3Å; W91-T95 PolarHBondContact O-N 2.92Å; W91-T95 VanDerWaalsContact O-N 3.08Å; W91-N123 HydrophobicContact CB-CB 4.14Å; W91-N123 HydrophobicContact CD2-CB 3.96Å; W91-N123 VanDerWaalsContact CE2-ND2 3.3Å; W91-N123 HydrophobicContact CG-CB 3.65Å; W91-N123 PolarHBondContact NE1-ND2 3.31Å; W91-G124 VanDerWaalsContact O-CA 3.26Å; W91-G124 WeakPolarHBondContact O-CA 3.19Å; W91-Q180 HydrophobicContact CD2-CG 4.42Å; W91-Q180 HydrophobicContact CE3-CG 3.89Å; W91-Q180 HydrophobicContact CH2-CB 3.32Å; W91-Q180 HydrophobicContact CH2-CG 3.58Å; W91-Q180 HydrophobicContact CZ2-CB 3.73Å; W91-Q180 HydrophobicContact CZ2-CG 4.09Å; W91-Q180 HydrophobicContact CZ3-CB 3.78Å; W91-Q180 HydrophobicContact CZ3-CG 3.47Å; W91-Q180 VanDerWaalsContact CZ3-CG 3.47Å |
| 92 | E | 98.1 | Very high | 96.4 | Very high | 94 Ų | 94 | 57.8 Ų | 57.8 | 44% | 0.439 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -55.8 | -46.5 | 174.5 | -177.4 | 175.6 | -161 | 0 | 0 | 111.1 | P88 H94 T95 | P88-E92 WeakPolarHBondContact O-CB 3.24Å; P88-E92 PolarHBondContact O-N 3.08Å; E92-H94 VanDerWaalsContact C-N 3.32Å; E92-H94 PolarHBondContact O-N 3.36Å; E92-T95 WeakPolarHBondContact O-CB 3.48Å; E92-T95 WeakPolarHBondContact O-CG2 3.44Å; E92-T95 PolarHBondContact O-N 3.05Å; E92-T95 VanDerWaalsContact O-N 3.11Å; E92-T95 PolarHBondContact O-OG1 2.95Å |
| 93 | G | 98 | Very high | 96.5 | Very high | 42 Ų | 42 | 63.4 Ų | 63.4 | 43% | 0.433 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L89 I90 W91 T95 S96 | L89-G93 PolarHBondContact O-N 3.27Å; I90-G93 PolarHBondContact O-N 3.1Å; W91-G93 VanDerWaalsContact C-N 3.31Å; W91-G93 PolarHBondContact O-N 2.88Å; G93-T95 VanDerWaalsContact C-N 3.25Å; G93-T95 PolarHBondContact O-N 3.07Å; G93-S96 WeakPolarHBondContact O-CB 3.38Å; G93-S96 PolarHBondContact O-N 3.27Å; G93-S96 PolarHBondContact O-OG 3.38Å |
| 94 | H | 98.6 | Very high | 96.8 | Very high | 72 Ų | 72 | 68 Ų | 68 | 33% | 0.333 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.3 | -16.4 | 177.5 | -70.2 | -29.5 | 0 | 0 | 0 | 114.2 | I90 W91 E92 S96 L97 | I90-H94 WeakPolarHBondContact CG2-NE2 3.34Å; I90-H94 PolarHBondContact O-CD2 3.11Å; I90-H94 PolarHBondContact O-N 2.82Å; W91-H94 CarbonylContact O-C 3.41Å; W91-H94 PolarHBondContact O-N 3.45Å; E92-H94 VanDerWaalsContact C-N 3.32Å; E92-H94 PolarHBondContact O-N 3.36Å; H94-S96 PolarHBondContact O-N 2.98Å; H94-L97 PolarHBondContact O-N 3.42Å |
| 95 | T | 98.6 | Very high | 97.1 | Very high | 16 Ų | 16 | 68 Ų | 68 | 10% | 0.098 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -23.5 | 173.2 | 68.8 | 0 | 0 | 0 | 0 | 112.9 | W91 E92 G93 L97 V98 K99 E127 R131 | W91-T95 WeakPolarHBondContact O-CG2 3.3Å; W91-T95 PolarHBondContact O-N 2.92Å; W91-T95 VanDerWaalsContact O-N 3.08Å; E92-T95 WeakPolarHBondContact O-CB 3.48Å; E92-T95 WeakPolarHBondContact O-CG2 3.44Å; E92-T95 PolarHBondContact O-N 3.05Å; E92-T95 VanDerWaalsContact O-N 3.11Å; E92-T95 PolarHBondContact O-OG1 2.95Å; G93-T95 VanDerWaalsContact C-N 3.25Å; G93-T95 PolarHBondContact O-N 3.07Å; T95-L97 PolarHBondContact O-N 3.33Å; T95-V98 PolarHBondContact O-N 3.34Å; T95-V98 VanDerWaalsContact O-N 3.12Å; T95-K99 PolarHBondContact O-N 2.88Å; T95-E127 HydrophobicContact CG2-CB 3.88Å; T95-E127 HydrophobicContact CG2-CG 3.78Å; T95-R131 PolarHBondContact OG1-NH1 3.39Å |
| 96 | S | 98.7 | Very high | 97.4 | Very high | 58 Ų | 58 | 76.4 Ų | 76.4 | 41% | 0.406 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -55.9 | -34 | 177.4 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | G93 H94 V98 K99 E100 | G93-S96 WeakPolarHBondContact O-CB 3.38Å; G93-S96 PolarHBondContact O-N 3.27Å; G93-S96 PolarHBondContact O-OG 3.38Å; H94-S96 PolarHBondContact O-N 2.98Å; S96-V98 VanDerWaalsContact C-N 3.33Å; S96-V98 PolarHBondContact O-N 2.83Å; S96-K99 WeakPolarHBondContact O-CB 3.23Å; S96-K99 PolarHBondContact O-N 3.33Å; S96-K99 VanDerWaalsContact O-N 3.14Å; S96-E100 PolarHBondContact O-N 2.81Å |
| 97 | L | 98.8 | Very high | 97.5 | Very high | 40 Ų | 40 | 78.4 Ų | 78.4 | 21% | 0.209 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -57 | -47.1 | 176.8 | -176.9 | 156.4 | 0 | 0 | 0 | 111.2 | H94 T95 K99 E100 L101 L121 V125 V250 | H94-L97 PolarHBondContact O-N 3.42Å; T95-L97 PolarHBondContact O-N 3.33Å; L97-K99 VanDerWaalsContact C-N 3.32Å; L97-K99 PolarHBondContact O-N 3.21Å; L97-E100 PolarHBondContact O-N 3.19Å; L97-L101 HydrophobicContact CD2-CD1 3.71Å; L97-L101 HydrophobicContact CD2-CG 4.18Å; L97-L101 WeakPolarHBondContact O-CG 3.44Å; L97-L101 PolarHBondContact O-N 2.86Å; L97-L101 VanDerWaalsContact O-N 3.1Å; L97-L121 HydrophobicContact CD1-CD1 4.39Å; L97-V125 HydrophobicContact CD2-CG2 4.45Å; L97-V250 HydrophobicContact CD1-CG1 3.71Å; L97-V250 HydrophobicContact CD1-CG2 4.03Å; L97-V250 HydrophobicContact CD2-CG2 4.24Å |
| 98 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -70.8 | -33 | -179.7 | -177.8 | 0 | 0 | 0 | 0 | 111.2 | T95 S96 E100 L101 E102 V125 L129 A132 W134 | T95-V98 PolarHBondContact O-N 3.34Å; T95-V98 VanDerWaalsContact O-N 3.12Å; S96-V98 VanDerWaalsContact C-N 3.33Å; S96-V98 PolarHBondContact O-N 2.83Å; V98-E100 VanDerWaalsContact C-N 3.28Å; V98-E100 PolarHBondContact O-N 3.46Å; V98-L101 WeakPolarHBondContact O-CB 3.26Å; V98-L101 PolarHBondContact O-N 3.13Å; V98-E102 WeakPolarHBondContact O-CB 3.43Å; V98-E102 PolarHBondContact O-N 3.24Å; V98-V125 HydrophobicContact CG2-CB 4.46Å; V98-V125 HydrophobicContact CG2-CG1 4.18Å; V98-L129 HydrophobicContact CG1-CD2 4.05Å; V98-L129 HydrophobicContact CG1-CG 4.37Å; V98-L129 HydrophobicContact CG2-CG 4.35Å; V98-A132 HydrophobicContact CG1-CB 4.16Å; V98-W134 HydrophobicContact CG1-CE3 4.34Å |
| 99 | K | 98.4 | Very high | 97.5 | Very high | 152 Ų | 152 | 75.8 Ų | 75.8 | 66% | 0.661 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.7 | -37.9 | 173.7 | -174.6 | -179.3 | 178.4 | -178 | 0 | 112 | T95 S96 L97 H103 | T95-K99 PolarHBondContact O-N 2.88Å; S96-K99 WeakPolarHBondContact O-CB 3.23Å; S96-K99 PolarHBondContact O-N 3.33Å; S96-K99 VanDerWaalsContact O-N 3.14Å; L97-K99 VanDerWaalsContact C-N 3.32Å; L97-K99 PolarHBondContact O-N 3.21Å; K99-H103 PolarHBondContact O-N 2.95Å; K99-H103 VanDerWaalsContact O-N 3.16Å |
| 100 | E | 98.7 | Very high | 97.6 | Very high | 125 Ų | 125 | 73 Ų | 73 | 58% | 0.584 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.6 | -42.7 | 173.3 | -70 | 172 | -160.4 | 0 | 0 | 111.1 | S96 L97 V98 E102 H103 D104 | S96-E100 PolarHBondContact O-N 2.81Å; L97-E100 PolarHBondContact O-N 3.19Å; V98-E100 VanDerWaalsContact C-N 3.28Å; V98-E100 PolarHBondContact O-N 3.46Å; E100-E102 PolarHBondContact O-N 3.08Å; E100-H103 PolarHBondContact O-N 3.42Å; E100-D104 WeakPolarHBondContact O-CB 3.27Å; E100-D104 PolarHBondContact O-N 3.2Å |
| 101 | L | 98.3 | Very high | 97.7 | Very high | 29 Ų | 29 | 71.3 Ų | 71.3 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 174.8 | -63.1 | 178.3 | 0 | 0 | 0 | 112.7 | L97 V98 H103 D104 L105 I112 W134 V248 | L97-L101 HydrophobicContact CD2-CD1 3.71Å; L97-L101 HydrophobicContact CD2-CG 4.18Å; L97-L101 WeakPolarHBondContact O-CG 3.44Å; L97-L101 PolarHBondContact O-N 2.86Å; L97-L101 VanDerWaalsContact O-N 3.1Å; V98-L101 WeakPolarHBondContact O-CB 3.26Å; V98-L101 PolarHBondContact O-N 3.13Å; L101-H103 VanDerWaalsContact C-N 3.27Å; L101-H103 PolarHBondContact O-N 3.24Å; L101-D104 PolarHBondContact O-N 3.34Å; L101-L105 HydrophobicContact CB-CD1 4.05Å; L101-L105 HydrophobicContact CB-CG 4.45Å; L101-L105 HydrophobicContact CD2-CD1 4.37Å; L101-L105 WeakPolarHBondContact O-CB 3.39Å; L101-L105 VanDerWaalsContact O-CG 3.27Å; L101-L105 WeakPolarHBondContact O-CG 3.41Å; L101-L105 PolarHBondContact O-N 3.43Å; L101-I112 HydrophobicContact CD1-CD1 3.96Å; L101-W134 HydrophobicContact CB-CZ3 4.17Å; L101-V248 HydrophobicContact CD1-CG1 3.95Å; L101-V248 HydrophobicContact CD1-CG2 4.49Å; L101-V248 HydrophobicContact CD2-CG1 3.91Å; L101-V248 HydrophobicContact CD2-CG2 4.36Å |
| 102 | E | 97.3 | Very high | 97.7 | Very high | 97 Ų | 97 | 70.2 Ų | 70.2 | 45% | 0.453 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 176.3 | -175.1 | -176.8 | -156.6 | 0 | 0 | 111.9 | V98 E100 A132 W134 | V98-E102 WeakPolarHBondContact O-CB 3.43Å; V98-E102 PolarHBondContact O-N 3.24Å; E100-E102 PolarHBondContact O-N 3.08Å; E102-A132 HydrophobicContact CB-CB 4.37Å; E102-A132 HydrophobicContact CG-CB 4.29Å; E102-W134 HydrophobicContact CB-CH2 4.14Å; E102-W134 HydrophobicContact CB-CZ2 4.39Å; E102-W134 HydrophobicContact CG-CZ2 4.36Å |
| 103 | H | 97.5 | Very high | 97.8 | Very high | 158 Ų | 158 | 65.8 Ų | 65.8 | 73% | 0.731 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -73 | -41.9 | 177.4 | 176.5 | -96 | 0 | 0 | 0 | 112.8 | K99 E100 L101 | K99-H103 PolarHBondContact O-N 2.95Å; K99-H103 VanDerWaalsContact O-N 3.16Å; E100-H103 PolarHBondContact O-N 3.42Å; L101-H103 VanDerWaalsContact C-N 3.27Å; L101-H103 PolarHBondContact O-N 3.24Å |
| 104 | D | 97.6 | Very high | 97.8 | Very high | 118 Ų | 118 | 63.8 Ų | 63.8 | 63% | 0.631 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -93.6 | -29.6 | -168.8 | -70.8 | -13.5 | 0 | 0 | 0 | 114.2 | E100 L101 | E100-D104 WeakPolarHBondContact O-CB 3.27Å; E100-D104 PolarHBondContact O-N 3.2Å; L101-D104 PolarHBondContact O-N 3.34Å |
| 105 | L | 96.8 | Very high | 97.8 | Very high | 52 Ų | 52 | 60.9 Ų | 60.9 | 27% | 0.272 | 30% | 0.298 | S | S | . | . | trans | -79 | 132.7 | -179.1 | -63.8 | 178 | 0 | 0 | 0 | 111.2 | L101 E107 P109 W134 V248 | L101-L105 HydrophobicContact CB-CD1 4.05Å; L101-L105 HydrophobicContact CB-CG 4.45Å; L101-L105 HydrophobicContact CD2-CD1 4.37Å; L101-L105 WeakPolarHBondContact O-CB 3.39Å; L101-L105 VanDerWaalsContact O-CG 3.27Å; L101-L105 WeakPolarHBondContact O-CG 3.41Å; L101-L105 PolarHBondContact O-N 3.43Å; L105-E107 VanDerWaalsContact C-N 3.26Å; L105-E107 WeakPolarHBondContact CB-O 3.35Å; L105-E107 PolarHBondContact O-N 2.95Å; L105-P109 HydrophobicContact CD1-CB 4.24Å; L105-P109 HydrophobicContact CD1-CG 4.15Å; L105-W134 HydrophobicContact CD1-CH2 4.34Å; L105-W134 HydrophobicContact CD1-CZ3 4.46Å; L105-V248 HydrophobicContact CD1-CG2 3.97Å | ||
| 106 | K | 94.3 | Very high | 97.8 | Very high | 216 Ų | 216 | 60.1 Ų | 60.1 | 94% | 0.939 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -71.8 | -24.2 | 175.2 | -64.5 | -178.7 | -178.9 | 176 | 0 | 113.1 | ||
| 107 | E | 94.9 | Very high | 97.7 | Very high | 117 Ų | 117 | 58 Ų | 58 | 55% | 0.547 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -142.9 | 155 | -179.8 | 67.2 | -175.5 | 160.5 | 0 | 0 | 110 | L105 P246 | L105-E107 VanDerWaalsContact C-N 3.26Å; L105-E107 WeakPolarHBondContact CB-O 3.35Å; L105-E107 PolarHBondContact O-N 2.95Å; E107-P246 HydrophobicContact CG-CG 3.82Å; E107-P246 VanDerWaalsContact OE1-CD 3.27Å; E107-P246 WeakPolarHBondContact OE1-CD 3.49Å; E107-P246 WeakPolarHBondContact OE1-CG 3.48Å |
| 108 | K | 95.7 | Very high | 97.4 | Very high | 69 Ų | 69 | 56.3 Ų | 56.3 | 30% | 0.3 | 27% | 0.272 | S | S | . | . | trans | -59.9 | 134.5 | 178 | -179.5 | 179.4 | -174.4 | 172.4 | 0 | 110.9 | W134 D136 V137 | K108-W134 HydrophobicContact CB-CZ2 4.43Å; K108-W134 HydrophobicContact CD-CG 4.11Å; K108-W134 HydrophobicContact CG-CD2 3.96Å; K108-W134 HydrophobicContact CG-CG 3.92Å; K108-D136 WeakPolarHBondContact CE-OD1 3.19Å; K108-D136 IonicContact NZ-OD1 2.55Å; K108-D136 PolarHBondContact NZ-OD1 3.15Å; K108-D136 IonicContact NZ-OD2 2.78Å; K108-D136 PolarHBondContact NZ-OD2 2.89Å; K108-V137 HydrophobicContact CD-CG2 4.16Å; K108-V137 HydrophobicContact CG-CG2 3.84Å | ||
| 109 | P | 97.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | trans | -66.9 | 145.1 | 178.8 | 27.7 | -33.8 | 0 | 0 | 0 | 111.4 | L105 A111 I112 W134 V137 P246 V248 | L105-P109 HydrophobicContact CD1-CB 4.24Å; L105-P109 HydrophobicContact CD1-CG 4.15Å; P109-A111 VanDerWaalsContact C-N 3.35Å; P109-I112 HydrophobicContact CG-CG1 4.42Å; P109-W134 HydrophobicContact CG-CE3 4.02Å; P109-W134 HydrophobicContact CG-CZ3 3.91Å; P109-V137 HydrophobicContact CG-CG1 4.22Å; P109-V137 HydrophobicContact CG-CG2 4.42Å; P109-V137 WeakPolarHBondContact O-CG2 3.48Å; P109-P246 CarbonylContact C-O 3.45Å; P109-P246 WeakPolarHBondContact CA-O 3.46Å; P109-P246 VanDerWaalsContact CB-O 3.32Å; P109-P246 WeakPolarHBondContact CB-O 3.42Å; P109-V248 HydrophobicContact CB-CG2 3.88Å | ||
| 110 | G | 98.1 | Very high | 97.3 | Very high | 16 Ų | 16 | 49.3 Ų | 49.3 | 17% | 0.165 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -74.2 | -26.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | P138 L244 P246 | G110-P138 VanDerWaalsContact O-CD 3.25Å; G110-P138 WeakPolarHBondContact O-CD 3.23Å; G110-P138 WeakPolarHBondContact O-CG 3.35Å; G110-L244 WeakPolarHBondContact O-CD2 3.48Å; G110-P246 PolarHBondContact N-O 3.15Å |
| 111 | A | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 156.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P109 P138 L240 V247 V248 | P109-A111 VanDerWaalsContact C-N 3.35Å; A111-P138 WeakPolarHBondContact CA-O 3.43Å; A111-P138 HydrophobicContact CB-CG 4.11Å; A111-L240 HydrophobicContact CB-CD2 4.49Å; A111-V247 HydrophobicContact CB-CG1 4.49Å; A111-V247 HydrophobicContact CB-CG2 4.47Å; A111-V248 PolarHBondContact O-N 3.23Å |
| 112 | I | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130 | 166.9 | -61.4 | -172.7 | 0 | 0 | 0 | 109.5 | L101 P109 V125 L129 V137 P138 I139 V140 V248 V250 | L101-I112 HydrophobicContact CD1-CD1 3.96Å; P109-I112 HydrophobicContact CG-CG1 4.42Å; I112-V125 HydrophobicContact CD1-CG1 4.01Å; I112-V125 HydrophobicContact CG2-CG1 4.12Å; I112-L129 HydrophobicContact CD1-CD1 4.19Å; I112-L129 HydrophobicContact CD1-CD2 3.74Å; I112-L129 HydrophobicContact CD1-CG 4.19Å; I112-V137 HydrophobicContact CG1-CG1 4.11Å; I112-P138 PolarHBondContact N-O 3.14Å; I112-I139 CarbonylContact O-C 3.6Å; I112-I139 VanDerWaalsContact O-CA 3.26Å; I112-I139 WeakPolarHBondContact O-CA 3.26Å; I112-V140 PolarHBondContact O-N 3.39Å; I112-V248 CarbonylContact C-O 3.55Å; I112-V248 WeakPolarHBondContact CA-O 3.38Å; I112-V248 HydrophobicContact CG1-CB 4.41Å; I112-V250 HydrophobicContact CG2-CG2 3.98Å |
| 113 | V | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 132.3 | 173.8 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | V140 M142 A222 A225 I231 V247 V248 V249 V250 | V113-V140 WeakPolarHBondContact CA-O 3.39Å; V113-V140 HydrophobicContact CG2-CB 4.19Å; V113-M142 HydrophobicContact CG1-CG 3.81Å; V113-A222 HydrophobicContact CG1-CB 4.38Å; V113-A222 VanDerWaalsContact CG1-O 3.3Å; V113-A222 WeakPolarHBondContact CG1-O 3.26Å; V113-A225 HydrophobicContact CB-CB 4.43Å; V113-A225 HydrophobicContact CG1-CB 3.45Å; V113-A225 VanDerWaalsContact CG1-CB 3.45Å; V113-A225 HydrophobicContact CG2-CB 4.15Å; V113-I231 HydrophobicContact CG2-CD1 3.95Å; V113-V247 HydrophobicContact CG2-CG1 3.78Å; V113-V248 PolarHBondContact N-O 3.36Å; V113-V249 HydrophobicContact CB-CB 4.38Å; V113-V249 HydrophobicContact CB-CG1 4.24Å; V113-V249 HydrophobicContact CB-CG2 4.1Å; V113-V249 HydrophobicContact CG1-CG1 4.36Å; V113-V249 HydrophobicContact CG2-CG2 4.13Å; V113-V250 PolarHBondContact O-N 3.46Å |
| 114 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 156.3 | 174.4 | 59.8 | 85.5 | 0 | 0 | 0 | 110.7 | V116 L121 L122 V125 I139 V140 M142 V250 | L114-V116 HydrophobicContact CD1-CG2 3.6Å; L114-L121 HydrophobicContact CB-CD2 4.01Å; L114-L121 HydrophobicContact CD2-CG 4.41Å; L114-L122 HydrophobicContact CD1-CB 3.98Å; L114-L122 HydrophobicContact CD1-CD1 4.49Å; L114-V125 HydrophobicContact CD2-CB 3.9Å; L114-V125 HydrophobicContact CD2-CG1 4.03Å; L114-V125 HydrophobicContact CD2-CG2 3.83Å; L114-I139 HydrophobicContact CD1-CG2 4.47Å; L114-I139 HydrophobicContact CD2-CG2 3.85Å; L114-I139 HydrophobicContact CG-CG2 3.9Å; L114-V140 PolarHBondContact N-O 3.32Å; L114-V140 VanDerWaalsContact N-O 3.1Å; L114-M142 PolarHBondContact O-N 2.98Å; L114-V250 HydrophobicContact CB-CB 4.21Å; L114-V250 HydrophobicContact CB-CG2 4.31Å |
| 115 | S | 98.6 | Very high | 97.6 | Very high | 11 Ų | 11 | 26 Ų | 26 | 8% | 0.077 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 146.3 | 172.2 | 61.9 | 0 | 0 | 0 | 0 | 111.5 | M142 A218 C252 | S115-M142 CarbonylContact C-O 3.54Å; S115-M142 VanDerWaalsContact CA-O 3.23Å; S115-M142 WeakPolarHBondContact CA-O 3.25Å; S115-A218 WeakPolarHBondContact CB-O 3.45Å; S115-A218 PolarHBondContact OG-O 3.37Å; S115-C252 PolarHBondContact OG-SG 3.13Å |
| 116 | V | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | trans | -114.2 | 120.1 | -179 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | L114 L122 A141 M142 E143 L150 V177 | L114-V116 HydrophobicContact CD1-CG2 3.6Å; V116-L122 HydrophobicContact CG2-CB 4.43Å; V116-L122 HydrophobicContact CG2-CD1 3.9Å; V116-A141 HydrophobicContact CG2-CB 3.75Å; V116-M142 PolarHBondContact N-O 3.03Å; V116-E143 HydrophobicContact CB-CG 3.95Å; V116-L150 HydrophobicContact CB-CD2 4.23Å; V116-L150 HydrophobicContact CG1-CB 3.97Å; V116-L150 HydrophobicContact CG1-CD2 3.99Å; V116-L150 HydrophobicContact CG2-CD2 3.89Å; V116-V177 HydrophobicContact CG1-CG1 4.34Å | ||
| 117 | G | 95.6 | Very high | 97.8 | Very high | 14 Ų | 14 | 16.2 Ų | 16.2 | 14% | 0.144 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -96 | -105.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110 | G119 | G117-G119 VanDerWaalsContact C-N 3.26Å; G117-G119 PolarHBondContact O-N 3.24Å |
| 118 | G | 93.9 | Very high | 98 | Very high | 3 Ų | 3 | 10.8 Ų | 10.8 | 3% | 0.031 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -77.2 | -10.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | F85 S178 T181 | F85-G118 VanDerWaalsContact CD2-C 3.44Å; F85-G118 VanDerWaalsContact CD2-CA 3.47Å; F85-G118 WeakPolarHBondContact CD2-O 3.45Å; F85-G118 VanDerWaalsContact CE2-CA 3.45Å; F85-G118 WeakPolarHBondContact CE2-O 3.36Å; G118-S178 PolarHBondContact O-N 3.33Å; G118-T181 PolarHBondContact O-OG1 3.47Å |
| 119 | G | 97.3 | Very high | 98.2 | Very high | 3 Ų | 3 | 7.5 Ų | 7.5 | 3% | 0.031 | 5% | 0.049 | C | C | . | . | S | Bend | trans | 96.6 | 6.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | G117 L121 L122 N123 T181 | G117-G119 VanDerWaalsContact C-N 3.26Å; G117-G119 PolarHBondContact O-N 3.24Å; G119-L121 VanDerWaalsContact C-N 3.34Å; G119-L121 PolarHBondContact O-N 2.91Å; G119-L122 WeakPolarHBondContact O-CB 3.4Å; G119-L122 PolarHBondContact O-N 2.82Å; G119-L122 VanDerWaalsContact O-N 3.13Å; G119-N123 PolarHBondContact O-N 3.27Å; G119-N123 PolarHBondContact O-OD1 2.95Å; G119-T181 WeakPolarHBondContact CA-OG1 3.37Å |
| 120 | G | 97.9 | Very high | 98.2 | Very high | 3 Ų | 3 | 11.9 Ų | 11.9 | 3% | 0.031 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -56.3 | -43.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F85 N123 G124 | F85-G120 WeakPolarHBondContact O-CA 3.48Å; G120-N123 PolarHBondContact O-N 3.43Å; G120-G124 PolarHBondContact O-N 2.96Å; G120-G124 VanDerWaalsContact O-N 3.08Å |
| 121 | L | 98.6 | Very high | 98.2 | Very high | 36 Ų | 36 | 17.7 Ų | 17.7 | 19% | 0.188 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.4 | -45.8 | 174.4 | 178.2 | 61.7 | 0 | 0 | 0 | 111.8 | L97 L114 G119 N123 G124 V125 V250 | L97-L121 HydrophobicContact CD1-CD1 4.39Å; L114-L121 HydrophobicContact CB-CD2 4.01Å; L114-L121 HydrophobicContact CD2-CG 4.41Å; G119-L121 VanDerWaalsContact C-N 3.34Å; G119-L121 PolarHBondContact O-N 2.91Å; L121-N123 VanDerWaalsContact C-N 3.32Å; L121-N123 PolarHBondContact O-N 3.19Å; L121-G124 PolarHBondContact O-N 3.09Å; L121-V125 HydrophobicContact CD1-CG2 4.04Å; L121-V125 HydrophobicContact CG-CG2 4.41Å; L121-V125 WeakPolarHBondContact O-CB 3.49Å; L121-V125 WeakPolarHBondContact O-CG2 3.42Å; L121-V125 PolarHBondContact O-N 3.46Å; L121-V250 HydrophobicContact CD2-CG1 4.07Å |
| 122 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.8 | -46.5 | 176.7 | -177.4 | 154.2 | 0 | 0 | 0 | 110.9 | L114 V116 G119 G124 V125 V126 A141 L150 T181 V185 V190 | L114-L122 HydrophobicContact CD1-CB 3.98Å; L114-L122 HydrophobicContact CD1-CD1 4.49Å; V116-L122 HydrophobicContact CG2-CB 4.43Å; V116-L122 HydrophobicContact CG2-CD1 3.9Å; G119-L122 WeakPolarHBondContact O-CB 3.4Å; G119-L122 PolarHBondContact O-N 2.82Å; G119-L122 VanDerWaalsContact O-N 3.13Å; L122-G124 PolarHBondContact O-N 2.64Å; L122-V125 PolarHBondContact O-N 3.26Å; L122-V126 HydrophobicContact CD2-CG2 3.96Å; L122-V126 WeakPolarHBondContact O-CG2 3.24Å; L122-V126 PolarHBondContact O-N 3.05Å; L122-A141 HydrophobicContact CD1-CB 4.03Å; L122-L150 HydrophobicContact CD1-CD2 3.85Å; L122-T181 HydrophobicContact CD1-CG2 4.42Å; L122-T181 HydrophobicContact CD2-CG2 4.12Å; L122-V185 HydrophobicContact CD1-CG1 4.5Å; L122-V190 HydrophobicContact CD1-CG1 4.17Å |
| 123 | N | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.6 | -47.6 | -179.8 | -64.1 | -10.8 | 0 | 0 | 0 | 111.4 | W91 G119 G120 L121 V126 E127 S178 T181 L184 | W91-N123 HydrophobicContact CB-CB 4.14Å; W91-N123 HydrophobicContact CD2-CB 3.96Å; W91-N123 VanDerWaalsContact CE2-ND2 3.3Å; W91-N123 HydrophobicContact CG-CB 3.65Å; W91-N123 PolarHBondContact NE1-ND2 3.31Å; G119-N123 PolarHBondContact O-N 3.27Å; G119-N123 PolarHBondContact O-OD1 2.95Å; G120-N123 PolarHBondContact O-N 3.43Å; L121-N123 VanDerWaalsContact C-N 3.32Å; L121-N123 PolarHBondContact O-N 3.19Å; N123-V126 PolarHBondContact O-N 3Å; N123-E127 WeakPolarHBondContact O-CB 3.39Å; N123-E127 PolarHBondContact O-N 3.32Å; N123-S178 PolarHBondContact ND2-OG 3.12Å; N123-T181 VanDerWaalsContact OD1-CA 3.23Å; N123-T181 WeakPolarHBondContact OD1-CA 3.48Å; N123-T181 PolarHBondContact OD1-N 3.36Å; N123-T181 PolarHBondContact OD1-OG1 2.92Å; N123-L184 HydrophobicContact CB-CD1 3.92Å |
| 124 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.6 | -37.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | W91 G120 L121 L122 E127 G128 | W91-G124 VanDerWaalsContact O-CA 3.26Å; W91-G124 WeakPolarHBondContact O-CA 3.19Å; G120-G124 PolarHBondContact O-N 2.96Å; G120-G124 VanDerWaalsContact O-N 3.08Å; L121-G124 PolarHBondContact O-N 3.09Å; L122-G124 PolarHBondContact O-N 2.64Å; G124-E127 PolarHBondContact O-N 2.88Å; G124-G128 PolarHBondContact O-N 2.88Å |
| 125 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.3 | -45.1 | 176 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | L97 V98 I112 L114 L121 L122 E127 G128 L129 I139 | L97-V125 HydrophobicContact CD2-CG2 4.45Å; V98-V125 HydrophobicContact CG2-CB 4.46Å; V98-V125 HydrophobicContact CG2-CG1 4.18Å; I112-V125 HydrophobicContact CD1-CG1 4.01Å; I112-V125 HydrophobicContact CG2-CG1 4.12Å; L114-V125 HydrophobicContact CD2-CB 3.9Å; L114-V125 HydrophobicContact CD2-CG1 4.03Å; L114-V125 HydrophobicContact CD2-CG2 3.83Å; L121-V125 HydrophobicContact CD1-CG2 4.04Å; L121-V125 HydrophobicContact CG-CG2 4.41Å; L121-V125 WeakPolarHBondContact O-CB 3.49Å; L121-V125 WeakPolarHBondContact O-CG2 3.42Å; L121-V125 PolarHBondContact O-N 3.46Å; L122-V125 PolarHBondContact O-N 3.26Å; V125-E127 VanDerWaalsContact C-N 3.33Å; V125-E127 PolarHBondContact O-N 3.34Å; V125-G128 PolarHBondContact O-N 3.38Å; V125-L129 HydrophobicContact CG1-CD1 4.01Å; V125-L129 HydrophobicContact CG1-CG 4.29Å; V125-L129 WeakPolarHBondContact O-CB 3.49Å; V125-L129 VanDerWaalsContact O-CG 3.27Å; V125-L129 WeakPolarHBondContact O-CG 3.5Å; V125-L129 PolarHBondContact O-N 2.91Å; V125-I139 HydrophobicContact CG1-CD1 3.87Å; V125-I139 HydrophobicContact CG1-CG1 4.47Å |
| 126 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 175.9 | 170.5 | 0 | 0 | 0 | 0 | 111 | L122 N123 L129 R130 I139 L184 H188 | L122-V126 HydrophobicContact CD2-CG2 3.96Å; L122-V126 WeakPolarHBondContact O-CG2 3.24Å; L122-V126 PolarHBondContact O-N 3.05Å; N123-V126 PolarHBondContact O-N 3Å; V126-L129 PolarHBondContact O-N 3.18Å; V126-R130 WeakPolarHBondContact O-CG 3.42Å; V126-R130 PolarHBondContact O-N 2.86Å; V126-I139 HydrophobicContact CG2-CD1 3.38Å; V126-L184 HydrophobicContact CB-CD1 4.17Å; V126-L184 HydrophobicContact CG1-CB 4.41Å; V126-L184 HydrophobicContact CG1-CD1 4.2Å; V126-L184 HydrophobicContact CG1-CD2 3.93Å; V126-L184 HydrophobicContact CG1-CG 4.41Å; V126-H188 HydrophobicContact CG1-CB 3.97Å; V126-H188 HydrophobicContact CG2-CB 4.24Å |
| 127 | E | 98.5 | Very high | 97.9 | Very high | 63 Ų | 63 | 33.2 Ų | 33.2 | 29% | 0.294 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 178.1 | -177.2 | 171.5 | -175.3 | 0 | 0 | 112.1 | T95 N123 G124 V125 R130 R131 | T95-E127 HydrophobicContact CG2-CB 3.88Å; T95-E127 HydrophobicContact CG2-CG 3.78Å; N123-E127 WeakPolarHBondContact O-CB 3.39Å; N123-E127 PolarHBondContact O-N 3.32Å; G124-E127 PolarHBondContact O-N 2.88Å; V125-E127 VanDerWaalsContact C-N 3.33Å; V125-E127 PolarHBondContact O-N 3.34Å; E127-R130 PolarHBondContact O-N 3.38Å; E127-R131 WeakPolarHBondContact O-CG 3.19Å; E127-R131 PolarHBondContact O-N 3.18Å; E127-R131 IonicContact OE1-CZ 3.37Å; E127-R131 IonicContact OE1-NE 3.42Å; E127-R131 PolarHBondContact OE1-NE 2.9Å; E127-R131 IonicContact OE1-NH2 2.67Å; E127-R131 PolarHBondContact OE1-NH2 2.87Å |
| 128 | G | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.3 | -44.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G124 V125 R130 R131 A132 | G124-G128 PolarHBondContact O-N 2.88Å; V125-G128 PolarHBondContact O-N 3.38Å; G128-R130 VanDerWaalsContact C-N 3.34Å; G128-R130 PolarHBondContact O-N 2.71Å; G128-R131 PolarHBondContact O-N 3.43Å; G128-R131 VanDerWaalsContact O-N 3.17Å; G128-A132 PolarHBondContact O-N 3.34Å |
| 129 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.3 | -43 | 176.2 | -76.6 | 174.1 | 0 | 0 | 0 | 111.7 | V98 I112 V125 V126 R131 A132 D133 W134 V137 I139 | V98-L129 HydrophobicContact CG1-CD2 4.05Å; V98-L129 HydrophobicContact CG1-CG 4.37Å; V98-L129 HydrophobicContact CG2-CG 4.35Å; I112-L129 HydrophobicContact CD1-CD1 4.19Å; I112-L129 HydrophobicContact CD1-CD2 3.74Å; I112-L129 HydrophobicContact CD1-CG 4.19Å; V125-L129 HydrophobicContact CG1-CD1 4.01Å; V125-L129 HydrophobicContact CG1-CG 4.29Å; V125-L129 WeakPolarHBondContact O-CB 3.49Å; V125-L129 VanDerWaalsContact O-CG 3.27Å; V125-L129 WeakPolarHBondContact O-CG 3.5Å; V125-L129 PolarHBondContact O-N 2.91Å; V126-L129 PolarHBondContact O-N 3.18Å; L129-R131 VanDerWaalsContact C-N 3.32Å; L129-R131 PolarHBondContact O-N 3.41Å; L129-A132 PolarHBondContact O-N 2.94Å; L129-D133 PolarHBondContact O-N 2.69Å; L129-W134 HydrophobicContact CB-CB 4.43Å; L129-W134 HydrophobicContact CD2-CB 3.71Å; L129-W134 HydrophobicContact CD2-CE3 3.97Å; L129-W134 CarbonylContact O-C 3.46Å; L129-W134 WeakPolarHBondContact O-CA 3.41Å; L129-W134 PolarHBondContact O-N 3.48Å; L129-V137 HydrophobicContact CD1-CB 4.29Å; L129-V137 HydrophobicContact CD2-CB 4.02Å; L129-V137 HydrophobicContact CD2-CG1 4.36Å; L129-V137 HydrophobicContact CD2-CG2 4.3Å; L129-I139 HydrophobicContact CD1-CD1 4.05Å; L129-I139 HydrophobicContact CD1-CG1 4.06Å |
| 130 | R | 98.3 | Very high | 98.4 | Very high | 96 Ų | 96 | 33.1 Ų | 33.1 | 36% | 0.362 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.3 | -38.3 | 176 | -71.3 | 171.1 | 178.3 | -178.1 | -4.1 | 112.1 | V126 E127 G128 A132 D133 A135 E187 | V126-R130 WeakPolarHBondContact O-CG 3.42Å; V126-R130 PolarHBondContact O-N 2.86Å; E127-R130 PolarHBondContact O-N 3.38Å; G128-R130 VanDerWaalsContact C-N 3.34Å; G128-R130 PolarHBondContact O-N 2.71Å; R130-A132 VanDerWaalsContact C-N 3.34Å; R130-D133 PolarHBondContact O-N 2.81Å; R130-A135 HydrophobicContact CG-CB 4.12Å; R130-E187 IonicContact CZ-OE2 3.68Å; R130-E187 IonicContact NH1-OE2 3.32Å; R130-E187 PolarHBondContact NH1-OE2 3.06Å; R130-E187 PolarHBondContact NH2-O 3.2Å; R130-E187 IonicContact NH2-OE2 3.06Å; R130-E187 PolarHBondContact NH2-OE2 3.48Å |
| 131 | R | 97.9 | Very high | 98.4 | Very high | 138 Ų | 138 | 33 Ų | 33 | 52% | 0.521 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -68.2 | -32.4 | 177.9 | -69.8 | 172 | -177.5 | -160.2 | -1.8 | 112.7 | T95 E127 G128 L129 D133 | T95-R131 PolarHBondContact OG1-NH1 3.39Å; E127-R131 WeakPolarHBondContact O-CG 3.19Å; E127-R131 PolarHBondContact O-N 3.18Å; E127-R131 IonicContact OE1-CZ 3.37Å; E127-R131 IonicContact OE1-NE 3.42Å; E127-R131 PolarHBondContact OE1-NE 2.9Å; E127-R131 IonicContact OE1-NH2 2.67Å; E127-R131 PolarHBondContact OE1-NH2 2.87Å; G128-R131 PolarHBondContact O-N 3.43Å; G128-R131 VanDerWaalsContact O-N 3.17Å; L129-R131 VanDerWaalsContact C-N 3.32Å; L129-R131 PolarHBondContact O-N 3.41Å; R131-D133 VanDerWaalsContact C-N 3.31Å |
| 132 | A | 97.7 | Very high | 98.4 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 11.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V98 E102 G128 L129 R130 W134 | V98-A132 HydrophobicContact CG1-CB 4.16Å; E102-A132 HydrophobicContact CB-CB 4.37Å; E102-A132 HydrophobicContact CG-CB 4.29Å; G128-A132 PolarHBondContact O-N 3.34Å; L129-A132 PolarHBondContact O-N 2.94Å; R130-A132 VanDerWaalsContact C-N 3.34Å; A132-W134 HydrophobicContact CB-CD2 4.2Å; A132-W134 HydrophobicContact CB-CE3 4.48Å; A132-W134 HydrophobicContact CB-CG 4.24Å; A132-W134 PolarHBondContact O-N 2.85Å; A132-W134 PolarHBondContact O-NE1 2.92Å |
| 133 | D | 97.6 | Very high | 98.4 | Very high | 141 Ų | 141 | 31.2 Ų | 31.2 | 75% | 0.754 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 31.4 | -173.9 | -160.2 | 34.6 | 0 | 0 | 0 | 113.9 | L129 R130 R131 | L129-D133 PolarHBondContact O-N 2.69Å; R130-D133 PolarHBondContact O-N 2.81Å; R131-D133 VanDerWaalsContact C-N 3.31Å |
| 134 | W | 97.9 | Very high | 98.4 | Very high | 31 Ų | 31 | 31.2 Ų | 31.2 | 12% | 0.117 | 15% | 0.154 | C | C | . | . | trans | -113.4 | 31.1 | -178.5 | -68.1 | 1.6 | 0 | 0 | 0 | 112.3 | V98 L101 E102 L105 K108 P109 L129 A132 D136 V137 | V98-W134 HydrophobicContact CG1-CE3 4.34Å; L101-W134 HydrophobicContact CB-CZ3 4.17Å; E102-W134 HydrophobicContact CB-CH2 4.14Å; E102-W134 HydrophobicContact CB-CZ2 4.39Å; E102-W134 HydrophobicContact CG-CZ2 4.36Å; L105-W134 HydrophobicContact CD1-CH2 4.34Å; L105-W134 HydrophobicContact CD1-CZ3 4.46Å; K108-W134 HydrophobicContact CB-CZ2 4.43Å; K108-W134 HydrophobicContact CD-CG 4.11Å; K108-W134 HydrophobicContact CG-CD2 3.96Å; K108-W134 HydrophobicContact CG-CG 3.92Å; P109-W134 HydrophobicContact CG-CE3 4.02Å; P109-W134 HydrophobicContact CG-CZ3 3.91Å; L129-W134 HydrophobicContact CB-CB 4.43Å; L129-W134 HydrophobicContact CD2-CB 3.71Å; L129-W134 HydrophobicContact CD2-CE3 3.97Å; L129-W134 CarbonylContact O-C 3.46Å; L129-W134 WeakPolarHBondContact O-CA 3.41Å; L129-W134 PolarHBondContact O-N 3.48Å; A132-W134 HydrophobicContact CB-CD2 4.2Å; A132-W134 HydrophobicContact CB-CE3 4.48Å; A132-W134 HydrophobicContact CB-CG 4.24Å; A132-W134 PolarHBondContact O-N 2.85Å; A132-W134 PolarHBondContact O-NE1 2.92Å; W134-D136 PolarHBondContact O-N 2.75Å; W134-D136 VanDerWaalsContact O-N 3.15Å; W134-V137 HydrophobicContact CB-CG2 3.81Å; W134-V137 HydrophobicContact CG-CG2 4.37Å; W134-V137 WeakPolarHBondContact O-CB 3.43Å; W134-V137 WeakPolarHBondContact O-CG2 3.41Å; W134-V137 PolarHBondContact O-N 2.97Å | ||
| 135 | A | 97.6 | Very high | 98.4 | Very high | 48 Ų | 48 | 35.1 Ų | 35.1 | 40% | 0.397 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R130 H188 | R130-A135 HydrophobicContact CG-CB 4.12Å; A135-H188 PolarHBondContact O-CE1 3.36Å; A135-H188 PolarHBondContact O-ND1 3.36Å |
| 136 | D | 97.4 | Very high | 98.3 | Very high | 109 Ų | 109 | 35.3 Ų | 35.3 | 58% | 0.583 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -7 | 175.1 | 55.2 | -52.9 | 0 | 0 | 0 | 113.7 | K108 W134 P138 | K108-D136 WeakPolarHBondContact CE-OD1 3.19Å; K108-D136 IonicContact NZ-OD1 2.55Å; K108-D136 PolarHBondContact NZ-OD1 3.15Å; K108-D136 IonicContact NZ-OD2 2.78Å; K108-D136 PolarHBondContact NZ-OD2 2.89Å; W134-D136 PolarHBondContact O-N 2.75Å; W134-D136 VanDerWaalsContact O-N 3.15Å; D136-P138 VanDerWaalsContact O-CD 3.28Å; D136-P138 WeakPolarHBondContact O-CD 3.46Å |
| 137 | V | 98.4 | Very high | 98.3 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | trans | -69 | 117.6 | 174.7 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | K108 P109 I112 L129 W134 H188 | K108-V137 HydrophobicContact CD-CG2 4.16Å; K108-V137 HydrophobicContact CG-CG2 3.84Å; P109-V137 HydrophobicContact CG-CG1 4.22Å; P109-V137 HydrophobicContact CG-CG2 4.42Å; P109-V137 WeakPolarHBondContact O-CG2 3.48Å; I112-V137 HydrophobicContact CG1-CG1 4.11Å; L129-V137 HydrophobicContact CD1-CB 4.29Å; L129-V137 HydrophobicContact CD2-CB 4.02Å; L129-V137 HydrophobicContact CD2-CG1 4.36Å; L129-V137 HydrophobicContact CD2-CG2 4.3Å; W134-V137 HydrophobicContact CB-CG2 3.81Å; W134-V137 HydrophobicContact CG-CG2 4.37Å; W134-V137 WeakPolarHBondContact O-CB 3.43Å; W134-V137 WeakPolarHBondContact O-CG2 3.41Å; W134-V137 PolarHBondContact O-N 2.97Å; V137-H188 PolarHBondContact O-NE2 2.6Å | ||
| 138 | P | 98.6 | Very high | 98.3 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 12% | 0.117 | 18% | 0.177 | C | C | . | . | trans | -70.7 | 146 | 178.7 | 29.3 | -34.4 | 0 | 0 | 0 | 111.4 | G110 A111 I112 D136 T189 F191 L240 | G110-P138 VanDerWaalsContact O-CD 3.25Å; G110-P138 WeakPolarHBondContact O-CD 3.23Å; G110-P138 WeakPolarHBondContact O-CG 3.35Å; A111-P138 WeakPolarHBondContact CA-O 3.43Å; A111-P138 HydrophobicContact CB-CG 4.11Å; I112-P138 PolarHBondContact N-O 3.14Å; D136-P138 VanDerWaalsContact O-CD 3.28Å; D136-P138 WeakPolarHBondContact O-CD 3.46Å; P138-T189 WeakPolarHBondContact CA-O 3.25Å; P138-T189 HydrophobicContact CB-CG2 3.97Å; P138-F191 HydrophobicContact CB-CD2 4.14Å; P138-F191 HydrophobicContact CB-CE2 3.65Å; P138-F191 HydrophobicContact CG-CE2 4.49Å; P138-L240 HydrophobicContact CB-CD2 3.99Å; P138-L240 HydrophobicContact CG-CD2 3.5Å; P138-L240 VanDerWaalsContact CG-CD2 3.5Å | ||
| 139 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 130.5 | 172.3 | -59.5 | 176.3 | 0 | 0 | 0 | 109 | I112 L114 V125 V126 L129 T189 V190 F191 | I112-I139 CarbonylContact O-C 3.6Å; I112-I139 VanDerWaalsContact O-CA 3.26Å; I112-I139 WeakPolarHBondContact O-CA 3.26Å; L114-I139 HydrophobicContact CD1-CG2 4.47Å; L114-I139 HydrophobicContact CD2-CG2 3.85Å; L114-I139 HydrophobicContact CG-CG2 3.9Å; V125-I139 HydrophobicContact CG1-CD1 3.87Å; V125-I139 HydrophobicContact CG1-CG1 4.47Å; V126-I139 HydrophobicContact CG2-CD1 3.38Å; L129-I139 HydrophobicContact CD1-CD1 4.05Å; L129-I139 HydrophobicContact CD1-CG1 4.06Å; I139-T189 PolarHBondContact N-O 3.31Å; I139-V190 HydrophobicContact CB-CG2 4.29Å; I139-V190 CarbonylContact O-C 3.5Å; I139-V190 WeakPolarHBondContact O-CA 3.41Å; I139-F191 PolarHBondContact O-N 3.01Å |
| 140 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 103.1 | 166.9 | -172 | 0 | 0 | 0 | 0 | 107.6 | I112 V113 L114 M142 F191 E193 I231 L234 L240 | I112-V140 PolarHBondContact O-N 3.39Å; V113-V140 WeakPolarHBondContact CA-O 3.39Å; V113-V140 HydrophobicContact CG2-CB 4.19Å; L114-V140 PolarHBondContact N-O 3.32Å; L114-V140 VanDerWaalsContact N-O 3.1Å; V140-M142 HydrophobicContact CG1-CG 4.44Å; V140-M142 HydrophobicContact CG1-SD 3.58Å; V140-M142 VanDerWaalsContact CG1-SD 3.58Å; V140-F191 HydrophobicContact CG2-CD2 4.46Å; V140-E193 HydrophobicContact CG1-CG 4.15Å; V140-I231 HydrophobicContact CB-CD1 4.47Å; V140-I231 HydrophobicContact CG2-CD1 3.84Å; V140-L234 HydrophobicContact CG1-CD1 4.05Å; V140-L234 HydrophobicContact CG2-CD1 3.91Å; V140-L240 HydrophobicContact CG2-CD1 4.26Å |
| 141 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 105.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | V116 L122 L150 V190 F191 S192 E193 | V116-A141 HydrophobicContact CG2-CB 3.75Å; L122-A141 HydrophobicContact CD1-CB 4.03Å; A141-L150 HydrophobicContact CB-CD2 3.8Å; A141-V190 HydrophobicContact CB-CG1 3.57Å; A141-F191 PolarHBondContact N-O 2.98Å; A141-S192 WeakPolarHBondContact O-CA 3.4Å; A141-E193 PolarHBondContact O-N 3.43Å |
| 142 | M | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 133.5 | -172.6 | -58.2 | -59.3 | -63.4 | 0 | 0 | 111.8 | V113 L114 S115 V116 V140 E193 V195 A221 A225 I230 | V113-M142 HydrophobicContact CG1-CG 3.81Å; L114-M142 PolarHBondContact O-N 2.98Å; S115-M142 CarbonylContact C-O 3.54Å; S115-M142 VanDerWaalsContact CA-O 3.23Å; S115-M142 WeakPolarHBondContact CA-O 3.25Å; V116-M142 PolarHBondContact N-O 3.03Å; V140-M142 HydrophobicContact CG1-CG 4.44Å; V140-M142 HydrophobicContact CG1-SD 3.58Å; V140-M142 VanDerWaalsContact CG1-SD 3.58Å; M142-E193 WeakPolarHBondContact CA-O 3.12Å; M142-E193 HydrophobicContact CE-CB 4.19Å; M142-E193 HydrophobicContact SD-CB 3.69Å; M142-V195 HydrophobicContact CE-CG1 3.64Å; M142-A221 HydrophobicContact CB-CB 4.42Å; M142-A221 VanDerWaalsContact CB-O 3.27Å; M142-A221 WeakPolarHBondContact CB-O 3.4Å; M142-A221 WeakPolarHBondContact CE-O 3.34Å; M142-A221 WeakPolarHBondContact CG-O 3.48Å; M142-A225 HydrophobicContact CE-CB 4.12Å; M142-A225 HydrophobicContact CG-CB 4.09Å; M142-A225 HydrophobicContact SD-CB 3.8Å; M142-I230 HydrophobicContact CE-CG1 4.16Å; M142-I230 HydrophobicContact SD-CG2 4.48Å |
| 143 | E | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 169.6 | 171.5 | -65.2 | 179.9 | 118.3 | 0 | 0 | 110.8 | V116 H148 S149 L150 N151 E193 V194 V195 | V116-E143 HydrophobicContact CB-CG 3.95Å; E143-H148 HydrophobicContact CB-CB 4.05Å; E143-H148 VanDerWaalsContact CD-CA 3.42Å; E143-H148 WeakPolarHBondContact OE1-CA 3.43Å; E143-H148 WeakPolarHBondContact OE2-CA 2.94Å; E143-S149 PolarHBondContact OE1-N 2.96Å; E143-L150 VanDerWaalsContact CD-CB 3.5Å; E143-L150 VanDerWaalsContact OE1-CB 3.31Å; E143-L150 WeakPolarHBondContact OE1-CB 3.4Å; E143-L150 PolarHBondContact OE1-N 2.83Å; E143-L150 WeakPolarHBondContact OE2-CB 3.37Å; E143-L150 PolarHBondContact OE2-N 3.36Å; E143-N151 WeakPolarHBondContact OE2-CB 3.48Å; E143-N151 PolarHBondContact OE2-N 3.01Å; E143-E193 PolarHBondContact N-O 3.15Å; E143-V194 WeakPolarHBondContact O-CA 3.24Å; E143-V195 PolarHBondContact O-N 3.34Å |
| 144 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 149 | 171.3 | 47.4 | 0 | 0 | 0 | 0 | 112.2 | G146 A147 H148 S167 A169 L172 V195 D197 A200 A221 | T144-G146 PolarHBondContact O-N 2.82Å; T144-A147 CarbonylContact O-C 3.47Å; T144-A147 PolarHBondContact O-N 3.46Å; T144-H148 PolarHBondContact O-N 3.34Å; T144-S167 WeakPolarHBondContact CB-OG 3.31Å; T144-S167 WeakPolarHBondContact OG1-CB 3.42Å; T144-S167 PolarHBondContact OG1-OG 2.99Å; T144-A169 HydrophobicContact CG2-CB 4.08Å; T144-L172 HydrophobicContact CG2-CD1 4.3Å; T144-V195 CarbonylContact C-O 3.54Å; T144-V195 WeakPolarHBondContact CA-O 3.33Å; T144-V195 HydrophobicContact CG2-CG2 4.29Å; T144-D197 WeakPolarHBondContact CB-OD1 3.43Å; T144-A200 HydrophobicContact CG2-CB 3.81Å; T144-A221 HydrophobicContact CG2-CB 4.03Å |
| 145 | V | 98.7 | Very high | 98.5 | Very high | 83 Ų | 83 | 25.7 Ų | 25.7 | 50% | 0.503 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 129 | 168.5 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | S167 V194 V195 | V145-S167 WeakPolarHBondContact O-CB 3.39Å; V145-V194 HydrophobicContact CB-CG1 4.38Å; V145-V194 HydrophobicContact CG2-CG1 3.67Å; V145-V195 PolarHBondContact N-O 3.24Å |
| 146 | G | 97.3 | Very high | 98.5 | Very high | 4 Ų | 4 | 26 Ų | 26 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | -6.7 | -172 | 0 | 0 | 0 | 0 | 0 | 116.6 | T144 H148 I165 T166 S167 | T144-G146 PolarHBondContact O-N 2.82Å; G146-H148 PolarHBondContact N-CE1 2.65Å; G146-H148 PolarHBondContact N-ND1 3.49Å; G146-I165 WeakPolarHBondContact O-CA 3.33Å; G146-T166 WeakPolarHBondContact CA-OG1 3.21Å; G146-T166 PolarHBondContact O-N 2.63Å; G146-S167 PolarHBondContact O-N 3.32Å |
| 147 | A | 97.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -139.3 | 31.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T144 S149 I165 L172 | T144-A147 CarbonylContact O-C 3.47Å; T144-A147 PolarHBondContact O-N 3.46Å; A147-S149 PolarHBondContact O-N 3.22Å; A147-I165 HydrophobicContact CB-CG2 4.41Å; A147-L172 HydrophobicContact CB-CB 3.96Å |
| 148 | H | 98.5 | Very high | 98.5 | Very high | 50 Ų | 50 | 28.8 Ų | 28.8 | 23% | 0.231 | 17% | 0.171 | C | C | . | . | trans | -97.2 | 54.1 | -171.2 | 55.2 | -79.2 | 0 | 0 | 0 | 112.6 | E143 T144 G146 L150 N151 A152 V194 | E143-H148 HydrophobicContact CB-CB 4.05Å; E143-H148 VanDerWaalsContact CD-CA 3.42Å; E143-H148 WeakPolarHBondContact OE1-CA 3.43Å; E143-H148 WeakPolarHBondContact OE2-CA 2.94Å; T144-H148 PolarHBondContact O-N 3.34Å; G146-H148 PolarHBondContact N-CE1 2.65Å; G146-H148 PolarHBondContact N-ND1 3.49Å; H148-L150 VanDerWaalsContact C-N 3.34Å; H148-L150 PolarHBondContact O-N 3.4Å; H148-N151 HydrophobicContact CB-CB 4.05Å; H148-N151 PolarHBondContact O-N 3.42Å; H148-A152 WeakPolarHBondContact O-CB 3.37Å; H148-A152 PolarHBondContact O-N 2.88Å; H148-V194 HydrophobicContact CB-CG1 3.88Å; H148-V194 HydrophobicContact CB-CG2 3.81Å | ||
| 149 | S | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.9 | -29.5 | -173.8 | 70.9 | 0 | 0 | 0 | 0 | 112.8 | E143 A147 A153 L174 V177 | E143-S149 PolarHBondContact OE1-N 2.96Å; A147-S149 PolarHBondContact O-N 3.22Å; S149-A153 WeakPolarHBondContact O-CB 3.39Å; S149-A153 PolarHBondContact O-N 3.15Å; S149-A153 VanDerWaalsContact O-N 3.15Å; S149-L174 WeakPolarHBondContact CB-O 3.39Å; S149-L174 PolarHBondContact OG-O 3.46Å; S149-L174 VanDerWaalsContact OG-O 3.13Å; S149-V177 VanDerWaalsContact OG-CG1 3.32Å; S149-V177 WeakPolarHBondContact OG-CG1 3.46Å |
| 150 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.1 | -49.5 | 172.8 | 179.8 | 61.7 | 0 | 0 | 0 | 110.4 | V116 L122 A141 E143 H148 A152 A153 M154 V177 T181 V185 | V116-L150 HydrophobicContact CB-CD2 4.23Å; V116-L150 HydrophobicContact CG1-CB 3.97Å; V116-L150 HydrophobicContact CG1-CD2 3.99Å; V116-L150 HydrophobicContact CG2-CD2 3.89Å; L122-L150 HydrophobicContact CD1-CD2 3.85Å; A141-L150 HydrophobicContact CB-CD2 3.8Å; E143-L150 VanDerWaalsContact CD-CB 3.5Å; E143-L150 VanDerWaalsContact OE1-CB 3.31Å; E143-L150 WeakPolarHBondContact OE1-CB 3.4Å; E143-L150 PolarHBondContact OE1-N 2.83Å; E143-L150 WeakPolarHBondContact OE2-CB 3.37Å; E143-L150 PolarHBondContact OE2-N 3.36Å; H148-L150 VanDerWaalsContact C-N 3.34Å; H148-L150 PolarHBondContact O-N 3.4Å; L150-A152 VanDerWaalsContact C-N 3.31Å; L150-A152 PolarHBondContact O-N 3.27Å; L150-A153 PolarHBondContact O-N 3.04Å; L150-A153 VanDerWaalsContact O-N 3.13Å; L150-M154 HydrophobicContact CD1-CG 4.03Å; L150-M154 HydrophobicContact CD1-SD 4.07Å; L150-M154 HydrophobicContact CD2-SD 4.28Å; L150-M154 HydrophobicContact CG-CG 4.25Å; L150-M154 HydrophobicContact CG-SD 3.93Å; L150-M154 WeakPolarHBondContact O-CG 3.5Å; L150-M154 PolarHBondContact O-N 3.34Å; L150-V177 HydrophobicContact CB-CG1 3.76Å; L150-V177 HydrophobicContact CD1-CG1 4.24Å; L150-V177 HydrophobicContact CD1-CG2 4.34Å; L150-T181 HydrophobicContact CD1-CG2 3.71Å; L150-V185 HydrophobicContact CD1-CG1 3.95Å |
| 151 | N | 98.8 | Very high | 98.3 | Very high | 30 Ų | 30 | 36.3 Ų | 36.3 | 16% | 0.16 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.3 | -45.3 | -180 | -170.8 | -97.7 | 0 | 0 | 0 | 111.5 | E143 H148 A153 M154 N155 S192 V194 | E143-N151 WeakPolarHBondContact OE2-CB 3.48Å; E143-N151 PolarHBondContact OE2-N 3.01Å; H148-N151 HydrophobicContact CB-CB 4.05Å; H148-N151 PolarHBondContact O-N 3.42Å; N151-A153 VanDerWaalsContact C-N 3.33Å; N151-A153 PolarHBondContact O-N 2.92Å; N151-M154 PolarHBondContact O-N 3.25Å; N151-N155 WeakPolarHBondContact O-CB 3.35Å; N151-N155 VanDerWaalsContact O-CG 3.22Å; N151-N155 PolarHBondContact O-N 3.44Å; N151-N155 PolarHBondContact O-ND2 2.82Å; N151-N155 PolarHBondContact OD1-ND2 3.13Å; N151-S192 VanDerWaalsContact CA-OG 3.25Å; N151-S192 WeakPolarHBondContact CA-OG 3.4Å; N151-S192 VanDerWaalsContact CB-OG 3.26Å; N151-S192 WeakPolarHBondContact CB-OG 3.33Å; N151-S192 PolarHBondContact ND2-OG 3.14Å; N151-V194 HydrophobicContact CB-CG2 3.5Å; N151-V194 VanDerWaalsContact CB-CG2 3.5Å; N151-V194 VanDerWaalsContact CG-CG2 3.4Å |
| 152 | A | 98.6 | Very high | 98.1 | Very high | 19 Ų | 19 | 37.1 Ų | 37.1 | 16% | 0.157 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.2 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H148 L150 A156 V160 L162 | H148-A152 WeakPolarHBondContact O-CB 3.37Å; H148-A152 PolarHBondContact O-N 2.88Å; L150-A152 VanDerWaalsContact C-N 3.31Å; L150-A152 PolarHBondContact O-N 3.27Å; A152-A156 WeakPolarHBondContact O-CB 3.48Å; A152-A156 PolarHBondContact O-N 3.34Å; A152-A156 VanDerWaalsContact O-N 3.11Å; A152-V160 HydrophobicContact CB-CG1 4.42Å; A152-L162 HydrophobicContact CB-CD2 3.92Å |
| 153 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.7 | -42 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S149 L150 N151 A156 G157 E158 V177 M182 | S149-A153 WeakPolarHBondContact O-CB 3.39Å; S149-A153 PolarHBondContact O-N 3.15Å; S149-A153 VanDerWaalsContact O-N 3.15Å; L150-A153 PolarHBondContact O-N 3.04Å; L150-A153 VanDerWaalsContact O-N 3.13Å; N151-A153 VanDerWaalsContact C-N 3.33Å; N151-A153 PolarHBondContact O-N 2.92Å; A153-A156 PolarHBondContact O-N 3.16Å; A153-G157 PolarHBondContact O-N 3.35Å; A153-E158 CarbonylContact C-O 3.51Å; A153-E158 WeakPolarHBondContact CA-O 3.36Å; A153-E158 WeakPolarHBondContact CB-O 3.36Å; A153-E158 PolarHBondContact O-N 3.11Å; A153-V177 HydrophobicContact CB-CG2 4.17Å; A153-M182 HydrophobicContact CB-SD 3.78Å; A153-M182 WeakPolarHBondContact O-CE 3.26Å |
| 154 | M | 98.6 | Very high | 97.6 | Very high | 53 Ų | 53 | 45.9 Ų | 45.9 | 26% | 0.261 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 177.6 | -74.4 | -174.1 | 68.2 | 0 | 0 | 112.1 | L150 N151 A156 G157 V185 S192 | L150-M154 HydrophobicContact CD1-CG 4.03Å; L150-M154 HydrophobicContact CD1-SD 4.07Å; L150-M154 HydrophobicContact CD2-SD 4.28Å; L150-M154 HydrophobicContact CG-CG 4.25Å; L150-M154 HydrophobicContact CG-SD 3.93Å; L150-M154 WeakPolarHBondContact O-CG 3.5Å; L150-M154 PolarHBondContact O-N 3.34Å; N151-M154 PolarHBondContact O-N 3.25Å; M154-A156 VanDerWaalsContact C-N 3.32Å; M154-A156 PolarHBondContact O-N 2.92Å; M154-G157 PolarHBondContact O-N 3.29Å; M154-V185 HydrophobicContact CE-CB 4.11Å; M154-V185 HydrophobicContact CG-CB 4.31Å; M154-V185 HydrophobicContact CG-CG2 3.89Å; M154-V185 HydrophobicContact SD-CB 3.98Å; M154-V185 HydrophobicContact SD-CG1 3.93Å; M154-V185 HydrophobicContact SD-CG2 4.22Å; M154-S192 VanDerWaalsContact SD-CB 3.53Å |
| 155 | N | 98.4 | Very high | 97.4 | Very high | 123 Ų | 123 | 48.6 Ų | 48.6 | 66% | 0.658 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.4 | -35.3 | 176.9 | -70 | -23.7 | 0 | 0 | 0 | 112.4 | N151 | N151-N155 WeakPolarHBondContact O-CB 3.35Å; N151-N155 VanDerWaalsContact O-CG 3.22Å; N151-N155 PolarHBondContact O-N 3.44Å; N151-N155 PolarHBondContact O-ND2 2.82Å; N151-N155 PolarHBondContact OD1-ND2 3.13Å |
| 156 | A | 98.1 | Very high | 97.3 | Very high | 55 Ų | 55 | 49.8 Ų | 49.8 | 46% | 0.455 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -79.1 | -19.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A152 A153 M154 E158 V160 | A152-A156 WeakPolarHBondContact O-CB 3.48Å; A152-A156 PolarHBondContact O-N 3.34Å; A152-A156 VanDerWaalsContact O-N 3.11Å; A153-A156 PolarHBondContact O-N 3.16Å; M154-A156 VanDerWaalsContact C-N 3.32Å; M154-A156 PolarHBondContact O-N 2.92Å; A156-E158 HydrophobicContact CB-CG 4.28Å; A156-E158 PolarHBondContact O-N 3.33Å; A156-V160 HydrophobicContact CB-CG2 3.5Å; A156-V160 VanDerWaalsContact CB-CG2 3.5Å |
| 157 | G | 97.8 | Very high | 97.3 | Very high | 38 Ų | 38 | 50 Ų | 50 | 39% | 0.392 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 2.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A153 M154 M182 K186 | A153-G157 PolarHBondContact O-N 3.35Å; M154-G157 PolarHBondContact O-N 3.29Å; G157-M182 WeakPolarHBondContact O-CE 3.34Å; G157-K186 PolarHBondContact O-NZ 3.35Å |
| 158 | E | 97.8 | Very high | 97.2 | Very high | 132 Ų | 132 | 51 Ų | 51 | 62% | 0.617 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -145.7 | 167.3 | -179.6 | 66.6 | -179.9 | 172.3 | 0 | 0 | 111.7 | A153 A156 V160 | A153-E158 CarbonylContact C-O 3.51Å; A153-E158 WeakPolarHBondContact CA-O 3.36Å; A153-E158 WeakPolarHBondContact CB-O 3.36Å; A153-E158 PolarHBondContact O-N 3.11Å; A156-E158 HydrophobicContact CB-CG 4.28Å; A156-E158 PolarHBondContact O-N 3.33Å; E158-V160 PolarHBondContact O-N 3.46Å |
| 159 | L | 98 | Very high | 97 | Very high | 49 Ų | 49 | 48.7 Ų | 48.7 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | trans | -66.6 | 122 | 178.7 | -76 | 172.6 | 0 | 0 | 0 | 111.4 | V177 A179 M182 | L159-V177 HydrophobicContact CD2-CG2 3.88Å; L159-V177 WeakPolarHBondContact CD2-O 3.38Å; L159-A179 HydrophobicContact CD1-CB 4.01Å; L159-M182 HydrophobicContact CD2-CB 3.68Å; L159-M182 HydrophobicContact CD2-CG 4.2Å; L159-M182 HydrophobicContact CG-CB 4.06Å; L159-M182 HydrophobicContact CG-CG 4.21Å | ||
| 160 | V | 96.7 | Very high | 96.6 | Very high | 47 Ų | 47 | 52.8 Ų | 52.8 | 29% | 0.285 | 32% | 0.323 | S | S | . | . | trans | -114 | 146.3 | 176.8 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | A152 A156 E158 R176 | A152-V160 HydrophobicContact CB-CG1 4.42Å; A156-V160 HydrophobicContact CB-CG2 3.5Å; A156-V160 VanDerWaalsContact CB-CG2 3.5Å; E158-V160 PolarHBondContact O-N 3.46Å; V160-R176 WeakPolarHBondContact O-CG 3.17Å | ||
| 161 | T | 97.6 | Very high | 96.2 | Very high | 79 Ų | 79 | 55.2 Ų | 55.2 | 49% | 0.485 | 34% | 0.338 | S | S | . | . | trans | -104.3 | 119.9 | 169.8 | -51.7 | 0 | 0 | 0 | 0 | 108.9 | L175 | T161-L175 CarbonylContact C-O 3.5Å; T161-L175 WeakPolarHBondContact CA-O 3.45Å; T161-L175 HydrophobicContact CG2-CB 3.87Å | ||
| 162 | L | 96.1 | Very high | 96 | Very high | 17 Ų | 17 | 53.9 Ų | 53.9 | 9% | 0.089 | 33% | 0.331 | C | S | . | . | trans | -61.3 | 144.1 | 169.7 | -63.1 | 179.2 | 0 | 0 | 0 | 109.9 | A152 A164 I165 L175 | A152-L162 HydrophobicContact CB-CD2 3.92Å; L162-A164 VanDerWaalsContact C-N 3.3Å; L162-A164 PolarHBondContact O-N 2.97Å; L162-I165 HydrophobicContact CD1-CD1 4.32Å; L162-L175 HydrophobicContact CB-CD2 4.25Å; L162-L175 PolarHBondContact N-O 2.92Å; L162-L175 WeakPolarHBondContact O-CD2 3.39Å | ||
| 163 | P | 93.9 | Very high | 95.5 | Very high | 133 Ų | 133 | 53.9 Ų | 53.9 | 86% | 0.864 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -69.1 | -30.4 | -179.9 | 27 | -34.3 | 0 | 0 | 0 | 112.6 | ||
| 164 | A | 93.4 | Very high | 95.2 | Very high | 52 Ų | 52 | 55.8 Ų | 55.8 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | trans | -158.9 | 160.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L162 | L162-A164 VanDerWaalsContact C-N 3.3Å; L162-A164 PolarHBondContact O-N 2.97Å | ||
| 165 | I | 93.1 | Very high | 94.9 | Very high | 56 Ų | 56 | 56.8 Ų | 56.8 | 29% | 0.287 | 35% | 0.349 | S | S | . | . | trans | -93.4 | 121.8 | 165.8 | -57.6 | -55.3 | 0 | 0 | 0 | 108.4 | G146 A147 L162 G173 L175 | G146-I165 WeakPolarHBondContact O-CA 3.33Å; A147-I165 HydrophobicContact CB-CG2 4.41Å; L162-I165 HydrophobicContact CD1-CD1 4.32Å; I165-G173 WeakPolarHBondContact CG1-O 3.4Å; I165-L175 HydrophobicContact CD1-CD2 3.66Å; I165-L175 HydrophobicContact CD1-CG 4.31Å; I165-L175 HydrophobicContact CG1-CD2 3.67Å; I165-L175 HydrophobicContact CG1-CG 4.31Å | ||
| 166 | T | 96.4 | Very high | 94.8 | Very high | 109 Ų | 109 | 56.5 Ų | 56.5 | 67% | 0.669 | 34% | 0.338 | S | S | * | . | trans | -117.4 | -9.8 | 179.1 | 59.2 | 0 | 0 | 0 | 0 | 113.4 | G146 | G146-T166 WeakPolarHBondContact CA-OG1 3.21Å; G146-T166 PolarHBondContact O-N 2.63Å | ||
| 167 | S | 97.4 | Very high | 94.7 | Very high | 9 Ų | 9 | 54.1 Ų | 54.1 | 6% | 0.063 | 32% | 0.318 | C | S | . | . | trans | -71.3 | 147.9 | 175.8 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | T144 V145 G146 A169 D197 | T144-S167 WeakPolarHBondContact CB-OG 3.31Å; T144-S167 WeakPolarHBondContact OG1-CB 3.42Å; T144-S167 PolarHBondContact OG1-OG 2.99Å; V145-S167 WeakPolarHBondContact O-CB 3.39Å; G146-S167 PolarHBondContact O-N 3.32Å; S167-A169 PolarHBondContact O-N 3.19Å; S167-A169 WeakPolarHBondContact OG-CB 3.27Å; S167-A169 PolarHBondContact OG-N 2.99Å; S167-D197 VanDerWaalsContact CA-OD2 3.26Å; S167-D197 WeakPolarHBondContact CA-OD2 3.44Å; S167-D197 WeakPolarHBondContact CB-OD1 3.5Å; S167-D197 PolarHBondContact OG-OD1 3.05Å | ||
| 168 | V | 96.1 | Very high | 94.7 | Very high | 20 Ų | 20 | 52.4 Ų | 52.4 | 12% | 0.121 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -71.5 | -17.7 | 168.9 | -53.1 | 0 | 0 | 0 | 0 | 113.3 | T170 D197 V201 P217 L265 L269 | V168-T170 PolarHBondContact O-N 3.48Å; V168-D197 HydrophobicContact CG2-CB 3.87Å; V168-D197 PolarHBondContact N-OD2 3.29Å; V168-V201 HydrophobicContact CG2-CG2 4.24Å; V168-P217 HydrophobicContact CG2-CB 4.39Å; V168-P217 HydrophobicContact CG2-CG 4.5Å; V168-L265 HydrophobicContact CB-CD2 3.67Å; V168-L265 HydrophobicContact CG1-CD2 4.11Å; V168-L265 HydrophobicContact CG2-CD2 3.88Å; V168-L269 HydrophobicContact CG1-CD2 3.99Å; V168-L269 HydrophobicContact CG1-CG 4.46Å; V168-L269 HydrophobicContact CG2-CD1 4.31Å |
| 169 | A | 94.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | trans | -79 | 68.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T144 S167 T171 L172 P217 | T144-A169 HydrophobicContact CG2-CB 4.08Å; S167-A169 PolarHBondContact O-N 3.19Å; S167-A169 WeakPolarHBondContact OG-CB 3.27Å; S167-A169 PolarHBondContact OG-N 2.99Å; A169-T171 PolarHBondContact O-N 3.25Å; A169-T171 VanDerWaalsContact O-N 3.11Å; A169-L172 HydrophobicContact CB-CD1 4.05Å; A169-L172 HydrophobicContact CB-CG 4.12Å; A169-L172 WeakPolarHBondContact O-CB 3.32Å; A169-L172 PolarHBondContact O-N 3.01Å; A169-P217 HydrophobicContact CB-CB 3.88Å | ||
| 170 | T | 89.3 | Confident | 94.7 | Very high | 86 Ų | 86 | 49.2 Ų | 49.2 | 53% | 0.528 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -60 | -27 | -171.2 | 57.1 | 0 | 0 | 0 | 0 | 114.5 | V168 L172 G173 | V168-T170 PolarHBondContact O-N 3.48Å; T170-L172 PolarHBondContact O-N 3.46Å; T170-G173 WeakPolarHBondContact O-CA 3.34Å; T170-G173 PolarHBondContact O-N 3.25Å |
| 171 | T | 90.6 | Very high | 94.8 | Very high | 51 Ų | 51 | 47 Ų | 47 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -64.9 | -25.3 | 173.5 | -67 | 0 | 0 | 0 | 0 | 112.8 | N16 A169 G173 E216 A218 | N16-T171 PolarHBondContact ND2-OG1 3.25Å; A169-T171 PolarHBondContact O-N 3.25Å; A169-T171 VanDerWaalsContact O-N 3.11Å; T171-G173 VanDerWaalsContact C-N 3.34Å; T171-E216 WeakPolarHBondContact CB-OE2 3.36Å; T171-E216 PolarHBondContact OG1-OE2 3.21Å; T171-A218 HydrophobicContact CG2-CB 3.98Å |
| 172 | L | 94.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -84.2 | -12.8 | 170.7 | -52.2 | -173.8 | 0 | 0 | 0 | 112.5 | T144 A147 A169 T170 L174 A218 A221 | T144-L172 HydrophobicContact CG2-CD1 4.3Å; A147-L172 HydrophobicContact CB-CB 3.96Å; A169-L172 HydrophobicContact CB-CD1 4.05Å; A169-L172 HydrophobicContact CB-CG 4.12Å; A169-L172 WeakPolarHBondContact O-CB 3.32Å; A169-L172 PolarHBondContact O-N 3.01Å; T170-L172 PolarHBondContact O-N 3.46Å; L172-L174 PolarHBondContact O-N 3.05Å; L172-A218 HydrophobicContact CD1-CB 4.42Å; L172-A218 HydrophobicContact CD2-CB 3.57Å; L172-A218 HydrophobicContact CG-CB 3.68Å; L172-A221 HydrophobicContact CD1-CB 3.92Å |
| 173 | G | 89.8 | Confident | 94.9 | Very high | 19 Ų | 19 | 48.2 Ų | 48.2 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | trans | -70.9 | 57 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | I165 T170 T171 | I165-G173 WeakPolarHBondContact CG1-O 3.4Å; T170-G173 WeakPolarHBondContact O-CA 3.34Å; T170-G173 PolarHBondContact O-N 3.25Å; T171-G173 VanDerWaalsContact C-N 3.34Å | ||
| 174 | L | 90.6 | Very high | 95.1 | Very high | 40 Ų | 40 | 42 Ų | 42 | 21% | 0.209 | 24% | 0.239 | C | C | . | . | trans | -99.7 | 124.9 | 171.4 | -69.2 | -56.9 | 0 | 0 | 0 | 107.3 | F85 S149 L172 R176 | F85-L174 HydrophobicContact CD1-CD1 4.35Å; F85-L174 HydrophobicContact CD1-CG 4.46Å; F85-L174 HydrophobicContact CE1-CD1 3.71Å; F85-L174 HydrophobicContact CE1-CG 4.01Å; F85-L174 HydrophobicContact CZ-CD1 4.46Å; S149-L174 WeakPolarHBondContact CB-O 3.39Å; S149-L174 PolarHBondContact OG-O 3.46Å; S149-L174 VanDerWaalsContact OG-O 3.13Å; L172-L174 PolarHBondContact O-N 3.05Å; L174-R176 PolarHBondContact O-N 3.45Å; L174-R176 VanDerWaalsContact O-N 3.14Å | ||
| 175 | L | 93.7 | Very high | 95.4 | Very high | 75 Ų | 75 | 40.3 Ų | 40.3 | 39% | 0.393 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -64.1 | -21.2 | -178.1 | -63.4 | 171.2 | 0 | 0 | 0 | 112 | T161 L162 I165 | T161-L175 CarbonylContact C-O 3.5Å; T161-L175 WeakPolarHBondContact CA-O 3.45Å; T161-L175 HydrophobicContact CG2-CB 3.87Å; L162-L175 HydrophobicContact CB-CD2 4.25Å; L162-L175 PolarHBondContact N-O 2.92Å; L162-L175 WeakPolarHBondContact O-CD2 3.39Å; I165-L175 HydrophobicContact CD1-CD2 3.66Å; I165-L175 HydrophobicContact CD1-CG 4.31Å; I165-L175 HydrophobicContact CG1-CD2 3.67Å; I165-L175 HydrophobicContact CG1-CG 4.31Å |
| 176 | R | 95.4 | Very high | 95.5 | Very high | 116 Ų | 116 | 44.4 Ų | 44.4 | 44% | 0.438 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -151.9 | 135.1 | -175.7 | -176 | 175.7 | -174.4 | 169.7 | 7.6 | 109.5 | V160 L174 | V160-R176 WeakPolarHBondContact O-CG 3.17Å; L174-R176 PolarHBondContact O-N 3.45Å; L174-R176 VanDerWaalsContact O-N 3.14Å |
| 177 | V | 97.3 | Very high | 95.6 | Very high | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.03 | 23% | 0.23 | C | C | . | . | trans | -72.2 | 162.5 | 170.8 | -66.5 | 0 | 0 | 0 | 0 | 112.5 | V116 S149 L150 A153 L159 T181 | V116-V177 HydrophobicContact CG1-CG1 4.34Å; S149-V177 VanDerWaalsContact OG-CG1 3.32Å; S149-V177 WeakPolarHBondContact OG-CG1 3.46Å; L150-V177 HydrophobicContact CB-CG1 3.76Å; L150-V177 HydrophobicContact CD1-CG1 4.24Å; L150-V177 HydrophobicContact CD1-CG2 4.34Å; A153-V177 HydrophobicContact CB-CG2 4.17Å; L159-V177 HydrophobicContact CD2-CG2 3.88Å; L159-V177 WeakPolarHBondContact CD2-O 3.38Å; V177-T181 HydrophobicContact CB-CG2 4.17Å; V177-T181 HydrophobicContact CG1-CG2 4.42Å; V177-T181 HydrophobicContact CG2-CG2 4.49Å | ||
| 178 | S | 97.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | trans | -63.1 | 153.9 | 174.1 | 79.2 | 0 | 0 | 0 | 0 | 112.5 | D86 G118 N123 Q180 T181 M182 | D86-S178 WeakPolarHBondContact OD1-CB 3.46Å; G118-S178 PolarHBondContact O-N 3.33Å; N123-S178 PolarHBondContact ND2-OG 3.12Å; S178-Q180 PolarHBondContact O-N 3.5Å; S178-Q180 PolarHBondContact OG-N 2.92Å; S178-T181 WeakPolarHBondContact O-CB 3.44Å; S178-T181 PolarHBondContact O-N 2.91Å; S178-T181 VanDerWaalsContact O-N 3.15Å; S178-T181 PolarHBondContact OG-N 2.72Å; S178-T181 PolarHBondContact OG-OG1 3.38Å; S178-M182 PolarHBondContact O-N 3.42Å | ||
| 179 | A | 97.9 | Very high | 95.8 | Very high | 62 Ų | 62 | 46.7 Ų | 46.7 | 51% | 0.512 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.8 | -34.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L159 M182 K183 | L159-A179 HydrophobicContact CD1-CB 4.01Å; A179-M182 PolarHBondContact O-N 2.75Å; A179-K183 PolarHBondContact O-N 2.91Å |
| 180 | Q | 98.3 | Very high | 96 | Very high | 53 Ų | 53 | 47.3 Ų | 47.3 | 25% | 0.248 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.1 | -41.6 | 175.1 | -179.3 | 68.5 | 0.3 | 0 | 0 | 111.6 | W91 S178 M182 K183 L184 | W91-Q180 HydrophobicContact CD2-CG 4.42Å; W91-Q180 HydrophobicContact CE3-CG 3.89Å; W91-Q180 HydrophobicContact CH2-CB 3.32Å; W91-Q180 HydrophobicContact CH2-CG 3.58Å; W91-Q180 HydrophobicContact CZ2-CB 3.73Å; W91-Q180 HydrophobicContact CZ2-CG 4.09Å; W91-Q180 HydrophobicContact CZ3-CB 3.78Å; W91-Q180 HydrophobicContact CZ3-CG 3.47Å; W91-Q180 VanDerWaalsContact CZ3-CG 3.47Å; S178-Q180 PolarHBondContact O-N 3.5Å; S178-Q180 PolarHBondContact OG-N 2.92Å; Q180-M182 VanDerWaalsContact C-N 3.3Å; Q180-M182 PolarHBondContact O-N 2.88Å; Q180-K183 WeakPolarHBondContact O-CB 3.47Å; Q180-K183 PolarHBondContact O-N 3.44Å; Q180-K183 VanDerWaalsContact O-N 3.14Å; Q180-L184 HydrophobicContact CG-CD1 4.01Å; Q180-L184 HydrophobicContact CG-CG 4.29Å; Q180-L184 WeakPolarHBondContact O-CG 3.47Å; Q180-L184 PolarHBondContact O-N 2.88Å |
| 181 | T | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.2 | -48.5 | 175.3 | -47.1 | 0 | 0 | 0 | 0 | 110.1 | G118 G119 L122 N123 L150 V177 S178 K183 L184 V185 | G118-T181 PolarHBondContact O-OG1 3.47Å; G119-T181 WeakPolarHBondContact CA-OG1 3.37Å; L122-T181 HydrophobicContact CD1-CG2 4.42Å; L122-T181 HydrophobicContact CD2-CG2 4.12Å; N123-T181 VanDerWaalsContact OD1-CA 3.23Å; N123-T181 WeakPolarHBondContact OD1-CA 3.48Å; N123-T181 PolarHBondContact OD1-N 3.36Å; N123-T181 PolarHBondContact OD1-OG1 2.92Å; L150-T181 HydrophobicContact CD1-CG2 3.71Å; V177-T181 HydrophobicContact CB-CG2 4.17Å; V177-T181 HydrophobicContact CG1-CG2 4.42Å; V177-T181 HydrophobicContact CG2-CG2 4.49Å; S178-T181 WeakPolarHBondContact O-CB 3.44Å; S178-T181 PolarHBondContact O-N 2.91Å; S178-T181 VanDerWaalsContact O-N 3.15Å; S178-T181 PolarHBondContact OG-N 2.72Å; S178-T181 PolarHBondContact OG-OG1 3.38Å; T181-K183 VanDerWaalsContact C-N 3.28Å; T181-K183 PolarHBondContact O-N 2.94Å; T181-L184 PolarHBondContact O-N 2.83Å; T181-V185 WeakPolarHBondContact O-CG1 3.27Å; T181-V185 PolarHBondContact O-N 2.89Å |
| 182 | M | 98.1 | Very high | 96.8 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 6% | 0.064 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64 | -32.5 | 179.6 | -169.3 | 65.2 | -153.7 | 0 | 0 | 113.1 | A153 G157 L159 S178 A179 Q180 V185 K186 | A153-M182 HydrophobicContact CB-SD 3.78Å; A153-M182 WeakPolarHBondContact O-CE 3.26Å; G157-M182 WeakPolarHBondContact O-CE 3.34Å; L159-M182 HydrophobicContact CD2-CB 3.68Å; L159-M182 HydrophobicContact CD2-CG 4.2Å; L159-M182 HydrophobicContact CG-CB 4.06Å; L159-M182 HydrophobicContact CG-CG 4.21Å; S178-M182 PolarHBondContact O-N 3.42Å; A179-M182 PolarHBondContact O-N 2.75Å; Q180-M182 VanDerWaalsContact C-N 3.3Å; Q180-M182 PolarHBondContact O-N 2.88Å; M182-V185 WeakPolarHBondContact O-CG2 3.2Å; M182-V185 HydrophobicContact SD-CG2 4.28Å; M182-K186 VanDerWaalsContact CE-CE 3.46Å |
| 183 | K | 98.3 | Very high | 97 | Very high | 108 Ų | 108 | 44.1 Ų | 44.1 | 47% | 0.47 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.6 | -49.9 | 172.5 | 179 | -176.5 | 171.1 | -175.5 | 0 | 110.8 | A179 Q180 T181 V185 K186 E187 | A179-K183 PolarHBondContact O-N 2.91Å; Q180-K183 WeakPolarHBondContact O-CB 3.47Å; Q180-K183 PolarHBondContact O-N 3.44Å; Q180-K183 VanDerWaalsContact O-N 3.14Å; T181-K183 VanDerWaalsContact C-N 3.28Å; T181-K183 PolarHBondContact O-N 2.94Å; K183-V185 PolarHBondContact O-N 3.35Å; K183-K186 WeakPolarHBondContact O-CB 3.15Å; K183-K186 PolarHBondContact O-N 2.94Å; K183-K186 VanDerWaalsContact O-N 3.08Å; K183-E187 WeakPolarHBondContact CE-OE1 3.46Å; K183-E187 WeakPolarHBondContact CG-OE1 3.41Å |
| 184 | L | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66 | -36.1 | -173.9 | -70.4 | 177.7 | 0 | 0 | 0 | 113.1 | N123 V126 Q180 T181 K186 E187 H188 | N123-L184 HydrophobicContact CB-CD1 3.92Å; V126-L184 HydrophobicContact CB-CD1 4.17Å; V126-L184 HydrophobicContact CG1-CB 4.41Å; V126-L184 HydrophobicContact CG1-CD1 4.2Å; V126-L184 HydrophobicContact CG1-CD2 3.93Å; V126-L184 HydrophobicContact CG1-CG 4.41Å; Q180-L184 HydrophobicContact CG-CD1 4.01Å; Q180-L184 HydrophobicContact CG-CG 4.29Å; Q180-L184 WeakPolarHBondContact O-CG 3.47Å; Q180-L184 PolarHBondContact O-N 2.88Å; T181-L184 PolarHBondContact O-N 2.83Å; L184-K186 PolarHBondContact O-N 3.02Å; L184-K186 VanDerWaalsContact O-N 3.16Å; L184-E187 CarbonylContact O-C 3.54Å; L184-E187 PolarHBondContact O-N 3.37Å; L184-H188 WeakPolarHBondContact O-CB 3.38Å; L184-H188 PolarHBondContact O-N 3.38Å |
| 185 | V | 97.9 | Very high | 97.9 | Very high | 16 Ų | 16 | 43.5 Ų | 43.5 | 10% | 0.097 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.4 | -14.1 | 175.4 | -60.8 | 0 | 0 | 0 | 0 | 113.9 | L122 L150 M154 T181 M182 K183 V190 | L122-V185 HydrophobicContact CD1-CG1 4.5Å; L150-V185 HydrophobicContact CD1-CG1 3.95Å; M154-V185 HydrophobicContact CE-CB 4.11Å; M154-V185 HydrophobicContact CG-CB 4.31Å; M154-V185 HydrophobicContact CG-CG2 3.89Å; M154-V185 HydrophobicContact SD-CB 3.98Å; M154-V185 HydrophobicContact SD-CG1 3.93Å; M154-V185 HydrophobicContact SD-CG2 4.22Å; T181-V185 WeakPolarHBondContact O-CG1 3.27Å; T181-V185 PolarHBondContact O-N 2.89Å; M182-V185 WeakPolarHBondContact O-CG2 3.2Å; M182-V185 HydrophobicContact SD-CG2 4.28Å; K183-V185 PolarHBondContact O-N 3.35Å; V185-V190 HydrophobicContact CB-CB 4.46Å; V185-V190 HydrophobicContact CG1-CB 4.09Å; V185-V190 HydrophobicContact CG1-CG1 4.15Å; V185-V190 HydrophobicContact CG1-CG2 4.06Å |
| 186 | K | 96.9 | Very high | 98.1 | Very high | 142 Ų | 142 | 41.4 Ų | 41.4 | 62% | 0.617 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -87.3 | -17.9 | 170.7 | -63.1 | 179.6 | -178.5 | -171.6 | 0 | 112.7 | G157 M182 K183 L184 | G157-K186 PolarHBondContact O-NZ 3.35Å; M182-K186 VanDerWaalsContact CE-CE 3.46Å; K183-K186 WeakPolarHBondContact O-CB 3.15Å; K183-K186 PolarHBondContact O-N 2.94Å; K183-K186 VanDerWaalsContact O-N 3.08Å; L184-K186 PolarHBondContact O-N 3.02Å; L184-K186 VanDerWaalsContact O-N 3.16Å |
| 187 | E | 97.5 | Very high | 98.3 | Very high | 101 Ų | 101 | 36.7 Ų | 36.7 | 47% | 0.472 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -112.9 | -9.3 | -173.2 | -62.2 | 176.2 | 179.8 | 0 | 0 | 113.5 | R130 K183 L184 | R130-E187 IonicContact CZ-OE2 3.68Å; R130-E187 IonicContact NH1-OE2 3.32Å; R130-E187 PolarHBondContact NH1-OE2 3.06Å; R130-E187 PolarHBondContact NH2-O 3.2Å; R130-E187 IonicContact NH2-OE2 3.06Å; R130-E187 PolarHBondContact NH2-OE2 3.48Å; K183-E187 WeakPolarHBondContact CE-OE1 3.46Å; K183-E187 WeakPolarHBondContact CG-OE1 3.41Å; L184-E187 CarbonylContact O-C 3.54Å; L184-E187 PolarHBondContact O-N 3.37Å |
| 188 | H | 98.6 | Very high | 98.3 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 5% | 0.051 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -135 | 144.4 | -178.2 | -162.6 | 92.6 | 0 | 0 | 0 | 109.1 | V126 A135 V137 L184 V190 | V126-H188 HydrophobicContact CG1-CB 3.97Å; V126-H188 HydrophobicContact CG2-CB 4.24Å; A135-H188 PolarHBondContact O-CE1 3.36Å; A135-H188 PolarHBondContact O-ND1 3.36Å; V137-H188 PolarHBondContact O-NE2 2.6Å; L184-H188 WeakPolarHBondContact O-CB 3.38Å; L184-H188 PolarHBondContact O-N 3.38Å; H188-V190 HydrophobicContact CB-CG2 4.44Å; H188-V190 PolarHBondContact O-N 3.47Å |
| 189 | T | 98.5 | Very high | 98.4 | Very high | 74 Ų | 74 | 42.1 Ų | 42.1 | 45% | 0.454 | 22% | 0.219 | S | C | . | . | trans | -70.2 | 104.2 | 177.6 | -59.8 | 0 | 0 | 0 | 0 | 109.9 | P138 I139 F191 | P138-T189 WeakPolarHBondContact CA-O 3.25Å; P138-T189 HydrophobicContact CB-CG2 3.97Å; I139-T189 PolarHBondContact N-O 3.31Å; T189-F191 HydrophobicContact CG2-CE1 4.32Å; T189-F191 HydrophobicContact CG2-CE2 3.86Å; T189-F191 HydrophobicContact CG2-CZ 3.68Å | ||
| 190 | V | 98.8 | Very high | 98.5 | Very high | 14 Ų | 14 | 39.2 Ų | 39.2 | 9% | 0.085 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 122.8 | 177.1 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | L122 I139 A141 V185 H188 | L122-V190 HydrophobicContact CD1-CG1 4.17Å; I139-V190 HydrophobicContact CB-CG2 4.29Å; I139-V190 CarbonylContact O-C 3.5Å; I139-V190 WeakPolarHBondContact O-CA 3.41Å; A141-V190 HydrophobicContact CB-CG1 3.57Å; V185-V190 HydrophobicContact CB-CB 4.46Å; V185-V190 HydrophobicContact CG1-CB 4.09Å; V185-V190 HydrophobicContact CG1-CG1 4.15Å; V185-V190 HydrophobicContact CG1-CG2 4.06Å; H188-V190 HydrophobicContact CB-CG2 4.44Å; H188-V190 PolarHBondContact O-N 3.47Å |
| 191 | F | 98.8 | Very high | 98.5 | Very high | 33 Ų | 33 | 36.7 Ų | 36.7 | 15% | 0.145 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 106.2 | 169.9 | -58.9 | -63.8 | 0 | 0 | 0 | 108.5 | P138 I139 V140 A141 T189 L234 K239 L240 | P138-F191 HydrophobicContact CB-CD2 4.14Å; P138-F191 HydrophobicContact CB-CE2 3.65Å; P138-F191 HydrophobicContact CG-CE2 4.49Å; I139-F191 PolarHBondContact O-N 3.01Å; V140-F191 HydrophobicContact CG2-CD2 4.46Å; A141-F191 PolarHBondContact N-O 2.98Å; T189-F191 HydrophobicContact CG2-CE1 4.32Å; T189-F191 HydrophobicContact CG2-CE2 3.86Å; T189-F191 HydrophobicContact CG2-CZ 3.68Å; F191-L234 HydrophobicContact CB-CD1 4.15Å; F191-L234 HydrophobicContact CB-CD2 4.48Å; F191-L234 HydrophobicContact CD2-CD1 4.43Å; F191-L234 HydrophobicContact CG-CD1 4.36Å; F191-L234 HydrophobicContact CG-CD2 4.43Å; F191-K239 HydrophobicContact CD1-CB 4.25Å; F191-K239 HydrophobicContact CD1-CD 4.13Å; F191-K239 HydrophobicContact CD1-CG 4.5Å; F191-K239 HydrophobicContact CE1-CB 3.67Å; F191-K239 HydrophobicContact CE1-CD 4.14Å; F191-K239 HydrophobicContact CE1-CG 4.02Å; F191-K239 HydrophobicContact CZ-CB 3.88Å; F191-K239 WeakPolarHBondContact CZ-O 3.44Å; F191-L240 HydrophobicContact CD2-CD2 4.05Å; F191-L240 HydrophobicContact CD2-CG 4.41Å; F191-L240 HydrophobicContact CE2-CD2 3.55Å; F191-L240 HydrophobicContact CE2-CG 4.11Å |
| 192 | S | 98.8 | Very high | 98.5 | Very high | 16 Ų | 16 | 42.2 Ų | 42.2 | 11% | 0.112 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 118.6 | 173.8 | 172.7 | 0 | 0 | 0 | 0 | 109.7 | A141 N151 M154 | A141-S192 WeakPolarHBondContact O-CA 3.4Å; N151-S192 VanDerWaalsContact CA-OG 3.25Å; N151-S192 WeakPolarHBondContact CA-OG 3.4Å; N151-S192 VanDerWaalsContact CB-OG 3.26Å; N151-S192 WeakPolarHBondContact CB-OG 3.33Å; N151-S192 PolarHBondContact ND2-OG 3.14Å; M154-S192 VanDerWaalsContact SD-CB 3.53Å |
| 193 | E | 98.9 | Very high | 98.5 | Very high | 22 Ų | 22 | 41.6 Ų | 41.6 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 136.2 | -176.3 | -64.2 | -60.3 | 161.3 | 0 | 0 | 110 | V140 A141 M142 E143 I230 R233 L234 | V140-E193 HydrophobicContact CG1-CG 4.15Å; A141-E193 PolarHBondContact O-N 3.43Å; M142-E193 WeakPolarHBondContact CA-O 3.12Å; M142-E193 HydrophobicContact CE-CB 4.19Å; M142-E193 HydrophobicContact SD-CB 3.69Å; E143-E193 PolarHBondContact N-O 3.15Å; E193-I230 HydrophobicContact CB-CG2 4.02Å; E193-I230 HydrophobicContact CG-CG2 3.77Å; E193-R233 VanDerWaalsContact CD-NH2 3.31Å; E193-R233 IonicContact OE1-NH2 3.81Å; E193-R233 IonicContact OE2-CZ 3.75Å; E193-R233 IonicContact OE2-NH1 3.95Å; E193-R233 IonicContact OE2-NH2 3.73Å; E193-R233 PolarHBondContact OE2-NH2 3.5Å; E193-L234 HydrophobicContact CG-CD1 4.39Å; E193-L234 WeakPolarHBondContact OE1-CD2 3.22Å |
| 194 | V | 98.9 | Very high | 98.6 | Very high | 44 Ų | 44 | 36.5 Ų | 36.5 | 27% | 0.267 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 124.9 | -173.9 | -172.9 | 0 | 0 | 0 | 0 | 109 | E143 V145 H148 N151 | E143-V194 WeakPolarHBondContact O-CA 3.24Å; V145-V194 HydrophobicContact CB-CG1 4.38Å; V145-V194 HydrophobicContact CG2-CG1 3.67Å; H148-V194 HydrophobicContact CB-CG1 3.88Å; H148-V194 HydrophobicContact CB-CG2 3.81Å; N151-V194 HydrophobicContact CB-CG2 3.5Å; N151-V194 VanDerWaalsContact CB-CG2 3.5Å; N151-V194 VanDerWaalsContact CG-CG2 3.4Å |
| 195 | V | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 160.8 | 176.6 | -63.9 | 0 | 0 | 0 | 0 | 111 | M142 E143 T144 V145 E199 A200 A221 A224 I230 | M142-V195 HydrophobicContact CE-CG1 3.64Å; E143-V195 PolarHBondContact O-N 3.34Å; T144-V195 CarbonylContact C-O 3.54Å; T144-V195 WeakPolarHBondContact CA-O 3.33Å; T144-V195 HydrophobicContact CG2-CG2 4.29Å; V145-V195 PolarHBondContact N-O 3.24Å; V195-E199 HydrophobicContact CB-CB 4.09Å; V195-A200 HydrophobicContact CG2-CB 4.49Å; V195-A221 HydrophobicContact CG2-CB 4.29Å; V195-A224 HydrophobicContact CB-CB 4.42Å; V195-A224 HydrophobicContact CG1-CB 4.08Å; V195-A224 HydrophobicContact CG2-CB 4.06Å; V195-I230 HydrophobicContact CG1-CD1 4.39Å; V195-I230 HydrophobicContact CG1-CG1 4.4Å |
| 196 | S | 98.8 | Very high | 98.6 | Very high | 32 Ų | 32 | 41.9 Ų | 41.9 | 22% | 0.224 | 20% | 0.203 | C | C | . | . | trans | -70.6 | 158.7 | 170.8 | 62.7 | 0 | 0 | 0 | 0 | 111.8 | Q198 E199 A200 | S196-Q198 PolarHBondContact O-N 3.39Å; S196-E199 WeakPolarHBondContact CB-OE2 3.4Å; S196-E199 PolarHBondContact N-OE2 3.11Å; S196-E199 PolarHBondContact O-N 2.95Å; S196-E199 VanDerWaalsContact OG-CG 3.24Å; S196-E199 WeakPolarHBondContact OG-CG 3.38Å; S196-E199 PolarHBondContact OG-N 3.36Å; S196-E199 PolarHBondContact OG-OE2 2.7Å; S196-A200 PolarHBondContact O-N 2.54Å | ||
| 197 | D | 98.8 | Very high | 98.7 | Very high | 17 Ų | 17 | 36 Ų | 36 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.7 | -34.7 | 170.9 | -77.6 | -16.4 | 0 | 0 | 0 | 111.9 | T144 S167 V168 E199 A200 V201 L269 | T144-D197 WeakPolarHBondContact CB-OD1 3.43Å; S167-D197 VanDerWaalsContact CA-OD2 3.26Å; S167-D197 WeakPolarHBondContact CA-OD2 3.44Å; S167-D197 WeakPolarHBondContact CB-OD1 3.5Å; S167-D197 PolarHBondContact OG-OD1 3.05Å; V168-D197 HydrophobicContact CG2-CB 3.87Å; V168-D197 PolarHBondContact N-OD2 3.29Å; D197-E199 VanDerWaalsContact C-N 3.33Å; D197-E199 PolarHBondContact O-N 2.89Å; D197-A200 PolarHBondContact O-N 3.19Å; D197-V201 WeakPolarHBondContact O-CB 3.35Å; D197-V201 WeakPolarHBondContact O-CG2 3.46Å; D197-V201 PolarHBondContact O-N 3.14Å; D197-L269 HydrophobicContact CB-CD1 3.94Å; D197-L269 HydrophobicContact CB-CD2 3.71Å |
| 198 | Q | 98.8 | Very high | 98.7 | Very high | 68 Ų | 68 | 32.9 Ų | 32.9 | 32% | 0.318 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.6 | -41.5 | 175.5 | -73.1 | 77.9 | 5.2 | 0 | 0 | 111.8 | S196 R202 L269 M271 | S196-Q198 PolarHBondContact O-N 3.39Å; Q198-R202 WeakPolarHBondContact O-CB 3.41Å; Q198-R202 PolarHBondContact O-N 2.74Å; Q198-L269 HydrophobicContact CG-CB 4.13Å; Q198-L269 PolarHBondContact NE2-O 3.43Å; Q198-L269 VanDerWaalsContact NE2-O 3.14Å; Q198-M271 HydrophobicContact CG-CG 4.12Å; Q198-M271 HydrophobicContact CG-SD 4.46Å |
| 199 | E | 98.8 | Very high | 98.7 | Very high | 53 Ų | 53 | 37 Ų | 37 | 25% | 0.248 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.8 | -44.7 | 176.6 | -73.8 | 167.5 | 105.6 | 0 | 0 | 111.5 | V195 S196 D197 V201 R202 A203 S228 | V195-E199 HydrophobicContact CB-CB 4.09Å; S196-E199 WeakPolarHBondContact CB-OE2 3.4Å; S196-E199 PolarHBondContact N-OE2 3.11Å; S196-E199 PolarHBondContact O-N 2.95Å; S196-E199 VanDerWaalsContact OG-CG 3.24Å; S196-E199 WeakPolarHBondContact OG-CG 3.38Å; S196-E199 PolarHBondContact OG-N 3.36Å; S196-E199 PolarHBondContact OG-OE2 2.7Å; D197-E199 VanDerWaalsContact C-N 3.33Å; D197-E199 PolarHBondContact O-N 2.89Å; E199-V201 PolarHBondContact O-N 3.13Å; E199-R202 PolarHBondContact O-N 3.26Å; E199-A203 WeakPolarHBondContact O-CB 3.19Å; E199-A203 PolarHBondContact O-N 3.31Å; E199-S228 WeakPolarHBondContact CG-OG 3.43Å; E199-S228 WeakPolarHBondContact OE1-CB 3.48Å; E199-S228 PolarHBondContact OE1-OG 2.86Å |
| 200 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.4 | -45.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T144 V195 S196 D197 A203 V204 G220 A221 | T144-A200 HydrophobicContact CG2-CB 3.81Å; V195-A200 HydrophobicContact CG2-CB 4.49Å; S196-A200 PolarHBondContact O-N 2.54Å; D197-A200 PolarHBondContact O-N 3.19Å; A200-A203 WeakPolarHBondContact O-CB 3.13Å; A200-A203 PolarHBondContact O-N 2.91Å; A200-V204 WeakPolarHBondContact O-CG2 3.42Å; A200-V204 PolarHBondContact O-N 3.02Å; A200-G220 WeakPolarHBondContact O-CA 3.32Å; A200-A221 HydrophobicContact CB-CB 4.41Å |
| 201 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.1 | -35 | 178.5 | 173.8 | 0 | 0 | 0 | 0 | 112 | V168 D197 E199 A203 V204 E205 P217 L262 L265 K266 L269 M271 | V168-V201 HydrophobicContact CG2-CG2 4.24Å; D197-V201 WeakPolarHBondContact O-CB 3.35Å; D197-V201 WeakPolarHBondContact O-CG2 3.46Å; D197-V201 PolarHBondContact O-N 3.14Å; E199-V201 PolarHBondContact O-N 3.13Å; V201-A203 VanDerWaalsContact C-N 3.33Å; V201-V204 WeakPolarHBondContact O-CB 3.34Å; V201-V204 PolarHBondContact O-N 3.26Å; V201-E205 PolarHBondContact O-N 2.77Å; V201-E205 VanDerWaalsContact O-N 3.09Å; V201-P217 HydrophobicContact CG2-CB 4.34Å; V201-P217 HydrophobicContact CG2-CG 4.23Å; V201-L262 HydrophobicContact CG1-CD1 3.87Å; V201-L265 HydrophobicContact CG1-CB 4.38Å; V201-L265 HydrophobicContact CG2-CB 4.31Å; V201-L265 HydrophobicContact CG2-CD1 4.46Å; V201-K266 HydrophobicContact CG1-CG 3.93Å; V201-L269 HydrophobicContact CB-CD1 4.02Å; V201-L269 HydrophobicContact CG2-CD1 3.61Å; V201-M271 HydrophobicContact CB-CE 4.3Å; V201-M271 HydrophobicContact CB-SD 3.99Å; V201-M271 HydrophobicContact CG1-CE 4.02Å; V201-M271 HydrophobicContact CG1-SD 3.74Å |
| 202 | R | 98.7 | Very high | 98.7 | Very high | 116 Ų | 116 | 48.5 Ų | 48.5 | 44% | 0.438 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.4 | -39.8 | 172.3 | -171.6 | -178.5 | -63 | 129.1 | 1.4 | 111.3 | Q198 E199 V204 E205 H206 M271 | Q198-R202 WeakPolarHBondContact O-CB 3.41Å; Q198-R202 PolarHBondContact O-N 2.74Å; E199-R202 PolarHBondContact O-N 3.26Å; R202-V204 VanDerWaalsContact C-N 3.31Å; R202-V204 PolarHBondContact O-N 3.4Å; R202-E205 PolarHBondContact O-N 3.39Å; R202-H206 PolarHBondContact O-N 2.79Å; R202-M271 HydrophobicContact CB-CE 3.97Å |
| 203 | A | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.5 | -35.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | E199 A200 V201 F207 G220 L223 A224 Y227 | E199-A203 WeakPolarHBondContact O-CB 3.19Å; E199-A203 PolarHBondContact O-N 3.31Å; A200-A203 WeakPolarHBondContact O-CB 3.13Å; A200-A203 PolarHBondContact O-N 2.91Å; V201-A203 VanDerWaalsContact C-N 3.33Å; A203-F207 WeakPolarHBondContact O-CB 3.36Å; A203-F207 PolarHBondContact O-N 3.21Å; A203-G220 WeakPolarHBondContact CB-O 3.49Å; A203-L223 HydrophobicContact CB-CB 3.97Å; A203-A224 HydrophobicContact CB-CB 4.23Å; A203-Y227 HydrophobicContact CB-CD2 3.78Å; A203-Y227 HydrophobicContact CB-CG 4.41Å |
| 204 | V | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 171 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | A200 V201 R202 L208 L214 V215 L262 | A200-V204 WeakPolarHBondContact O-CG2 3.42Å; A200-V204 PolarHBondContact O-N 3.02Å; V201-V204 WeakPolarHBondContact O-CB 3.34Å; V201-V204 PolarHBondContact O-N 3.26Å; R202-V204 VanDerWaalsContact C-N 3.31Å; R202-V204 PolarHBondContact O-N 3.4Å; V204-L208 WeakPolarHBondContact O-CB 3.34Å; V204-L208 PolarHBondContact O-N 3.41Å; V204-L214 HydrophobicContact CG1-CD1 3.84Å; V204-V215 HydrophobicContact CG1-CG2 4.49Å; V204-V215 WeakPolarHBondContact CG1-O 3.35Å; V204-V215 HydrophobicContact CG2-CG2 4.11Å; V204-L262 HydrophobicContact CB-CD1 4.48Å; V204-L262 HydrophobicContact CG1-CD1 3.99Å; V204-L262 HydrophobicContact CG1-CD2 4.44Å |
| 205 | E | 98.4 | Very high | 98.6 | Very high | 57 Ų | 57 | 51.1 Ų | 51.1 | 27% | 0.266 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.4 | -49 | 179.2 | 179 | 167.6 | -150.5 | 0 | 0 | 111.7 | V201 R202 F207 L208 D209 K266 | V201-E205 PolarHBondContact O-N 2.77Å; V201-E205 VanDerWaalsContact O-N 3.09Å; R202-E205 PolarHBondContact O-N 3.39Å; E205-F207 PolarHBondContact O-N 3.18Å; E205-L208 WeakPolarHBondContact O-CB 3.45Å; E205-L208 PolarHBondContact O-N 3.46Å; E205-D209 PolarHBondContact O-N 2.85Å; E205-D209 VanDerWaalsContact O-N 3.08Å; E205-K266 IonicContact OE1-NZ 2.74Å; E205-K266 PolarHBondContact OE1-NZ 3.35Å; E205-K266 WeakPolarHBondContact OE2-CE 3.35Å; E205-K266 IonicContact OE2-NZ 3.97Å; E205-K266 PolarHBondContact OE2-NZ 3.46Å |
| 206 | H | 98.6 | Very high | 98.6 | Very high | 75 Ų | 75 | 51.2 Ų | 51.2 | 35% | 0.347 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 177.5 | -67.6 | -179.8 | 0 | 0 | 0 | 112 | R202 L208 D209 D210 Y227 | R202-H206 PolarHBondContact O-N 2.79Å; H206-L208 VanDerWaalsContact C-N 3.32Å; H206-L208 PolarHBondContact O-N 3.49Å; H206-D209 CarbonylContact O-C 3.51Å; H206-D209 PolarHBondContact O-N 3.5Å; H206-D210 WeakPolarHBondContact O-CB 3.4Å; H206-D210 VanDerWaalsContact O-CG 3.24Å; H206-D210 PolarHBondContact O-N 3.42Å; H206-Y227 HydrophobicContact CB-CD1 3.98Å; H206-Y227 HydrophobicContact CB-CE1 3.56Å; H206-Y227 HydrophobicContact CB-CE2 4.19Å; H206-Y227 HydrophobicContact CB-CG 4.45Å; H206-Y227 AromaticContact ND1-CD1 3.67Å |
| 207 | F | 98.8 | Very high | 98.6 | Very high | 19 Ų | 19 | 50 Ų | 50 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.5 | -33.6 | 179.9 | -167.8 | -107.3 | 0 | 0 | 0 | 112.8 | A203 E205 D209 E211 K212 I213 V215 L223 Y227 V251 | A203-F207 WeakPolarHBondContact O-CB 3.36Å; A203-F207 PolarHBondContact O-N 3.21Å; E205-F207 PolarHBondContact O-N 3.18Å; F207-D209 VanDerWaalsContact C-N 3.31Å; F207-E211 HydrophobicContact CD2-CB 4.12Å; F207-E211 HydrophobicContact CD2-CG 3.81Å; F207-E211 HydrophobicContact CE1-CB 4.27Å; F207-E211 HydrophobicContact CE2-CB 3.83Å; F207-E211 HydrophobicContact CE2-CG 3.46Å; F207-E211 VanDerWaalsContact CE2-CG 3.46Å; F207-E211 HydrophobicContact CG-CB 4.47Å; F207-E211 HydrophobicContact CZ-CB 3.89Å; F207-E211 HydrophobicContact CZ-CG 3.99Å; F207-E211 WeakPolarHBondContact O-CA 3.41Å; F207-E211 PolarHBondContact O-N 3.18Å; F207-K212 PolarHBondContact O-N 3.4Å; F207-I213 HydrophobicContact CD1-CB 4.34Å; F207-I213 WeakPolarHBondContact CD1-O 3.45Å; F207-I213 HydrophobicContact CE1-CB 3.85Å; F207-I213 HydrophobicContact CE1-CG2 4.22Å; F207-V215 HydrophobicContact CD1-CG1 4.01Å; F207-V215 HydrophobicContact CD1-CG2 4.19Å; F207-V215 HydrophobicContact CE1-CG1 3.95Å; F207-L223 HydrophobicContact CB-CD1 3.7Å; F207-L223 HydrophobicContact CD1-CD1 3.81Å; F207-L223 HydrophobicContact CD2-CD1 3.9Å; F207-L223 HydrophobicContact CD2-CD2 3.53Å; F207-L223 HydrophobicContact CD2-CG 4.35Å; F207-L223 HydrophobicContact CE1-CD1 4.39Å; F207-L223 HydrophobicContact CE2-CD1 4.46Å; F207-L223 HydrophobicContact CE2-CD2 3.62Å; F207-L223 HydrophobicContact CG-CD1 3.53Å; F207-L223 HydrophobicContact CG-CD2 4.08Å; F207-L223 HydrophobicContact CG-CG 4.45Å; F207-L223 HydrophobicContact CZ-CD2 4.26Å; F207-Y227 HydrophobicContact CB-CE2 4.19Å; F207-Y227 HydrophobicContact CD2-CE2 4.44Å; F207-V251 HydrophobicContact CE1-CG1 3.81Å; F207-V251 HydrophobicContact CE2-CG2 4.43Å; F207-V251 HydrophobicContact CZ-CG1 3.89Å; F207-V251 HydrophobicContact CZ-CG2 3.86Å |
| 208 | L | 98.5 | Very high | 98.5 | Very high | 35 Ų | 35 | 49.3 Ų | 49.3 | 18% | 0.183 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.3 | -40.7 | 169.8 | 175.2 | 62.2 | 0 | 0 | 0 | 111.1 | V204 E205 H206 K212 L214 M259 L262 | V204-L208 WeakPolarHBondContact O-CB 3.34Å; V204-L208 PolarHBondContact O-N 3.41Å; E205-L208 WeakPolarHBondContact O-CB 3.45Å; E205-L208 PolarHBondContact O-N 3.46Å; H206-L208 VanDerWaalsContact C-N 3.32Å; H206-L208 PolarHBondContact O-N 3.49Å; L208-K212 WeakPolarHBondContact O-CA 3.31Å; L208-K212 WeakPolarHBondContact O-CD 3.42Å; L208-K212 PolarHBondContact O-N 2.96Å; L208-K212 VanDerWaalsContact O-N 3.11Å; L208-L214 HydrophobicContact CD1-CB 4.13Å; L208-L214 HydrophobicContact CD2-CD1 4.29Å; L208-M259 HydrophobicContact CD2-CE 4.27Å; L208-M259 HydrophobicContact CD2-SD 3.84Å; L208-L262 HydrophobicContact CD2-CD2 4.4Å |
| 209 | D | 98.3 | Very high | 98.5 | Very high | 98 Ų | 98 | 46.1 Ų | 46.1 | 52% | 0.524 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -77.3 | -31.5 | 179.3 | -78.3 | -20.1 | 0 | 0 | 0 | 113.5 | E205 H206 F207 K212 | E205-D209 PolarHBondContact O-N 2.85Å; E205-D209 VanDerWaalsContact O-N 3.08Å; H206-D209 CarbonylContact O-C 3.51Å; H206-D209 PolarHBondContact O-N 3.5Å; F207-D209 VanDerWaalsContact C-N 3.31Å; D209-K212 WeakPolarHBondContact O-CE 3.27Å; D209-K212 PolarHBondContact O-NZ 3.29Å |
| 210 | D | 98.6 | Very high | 98.5 | Very high | 94 Ų | 94 | 43.6 Ų | 43.6 | 50% | 0.503 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -83.9 | -51.7 | -178.6 | -66.6 | -23.2 | 0 | 0 | 0 | 110.7 | H206 Y227 | H206-D210 WeakPolarHBondContact O-CB 3.4Å; H206-D210 VanDerWaalsContact O-CG 3.24Å; H206-D210 PolarHBondContact O-N 3.42Å; D210-Y227 WeakPolarHBondContact OD2-CE1 3.46Å; D210-Y227 PolarHBondContact OD2-OH 3.11Å |
| 211 | E | 98.5 | Very high | 98.5 | Very high | 119 Ų | 119 | 43.6 Ų | 43.6 | 56% | 0.556 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -108.5 | -3.3 | -169.2 | -62 | -60.2 | 155.1 | 0 | 0 | 113.9 | F207 I213 | F207-E211 HydrophobicContact CD2-CB 4.12Å; F207-E211 HydrophobicContact CD2-CG 3.81Å; F207-E211 HydrophobicContact CE1-CB 4.27Å; F207-E211 HydrophobicContact CE2-CB 3.83Å; F207-E211 HydrophobicContact CE2-CG 3.46Å; F207-E211 VanDerWaalsContact CE2-CG 3.46Å; F207-E211 HydrophobicContact CG-CB 4.47Å; F207-E211 HydrophobicContact CZ-CB 3.89Å; F207-E211 HydrophobicContact CZ-CG 3.99Å; F207-E211 WeakPolarHBondContact O-CA 3.41Å; F207-E211 PolarHBondContact O-N 3.18Å; E211-I213 PolarHBondContact O-N 3.39Å |
| 212 | K | 98.3 | Very high | 98.5 | Very high | 150 Ų | 150 | 43.6 Ų | 43.6 | 65% | 0.652 | 21% | 0.207 | S | C | * | . | S | Bend | trans | 62.3 | 24.4 | 178.3 | -48.3 | -50.1 | -178.1 | -161.7 | 0 | 114.4 | F207 L208 D209 | F207-K212 PolarHBondContact O-N 3.4Å; L208-K212 WeakPolarHBondContact O-CA 3.31Å; L208-K212 WeakPolarHBondContact O-CD 3.42Å; L208-K212 PolarHBondContact O-N 2.96Å; L208-K212 VanDerWaalsContact O-N 3.11Å; D209-K212 WeakPolarHBondContact O-CE 3.27Å; D209-K212 PolarHBondContact O-NZ 3.29Å |
| 213 | I | 98.4 | Very high | 98.5 | Very high | 88 Ų | 88 | 38.5 Ų | 38.5 | 45% | 0.451 | 19% | 0.189 | S | C | . | . | trans | -117.5 | 121.2 | 177.4 | -59.4 | 171.4 | 0 | 0 | 0 | 109 | F207 E211 V215 | F207-I213 HydrophobicContact CD1-CB 4.34Å; F207-I213 WeakPolarHBondContact CD1-O 3.45Å; F207-I213 HydrophobicContact CE1-CB 3.85Å; F207-I213 HydrophobicContact CE1-CG2 4.22Å; E211-I213 PolarHBondContact O-N 3.39Å; I213-V215 HydrophobicContact CG2-CG1 3.79Å | ||
| 214 | L | 98.5 | Very high | 98.5 | Very high | 48 Ų | 48 | 38.4 Ų | 38.4 | 25% | 0.251 | 19% | 0.188 | S | C | . | . | trans | -83.5 | 125.4 | 172.2 | -178.8 | 61.6 | 0 | 0 | 0 | 109.9 | V204 L208 I257 M259 L262 | V204-L214 HydrophobicContact CG1-CD1 3.84Å; L208-L214 HydrophobicContact CD1-CB 4.13Å; L208-L214 HydrophobicContact CD2-CD1 4.29Å; L214-I257 HydrophobicContact CD1-CG1 3.92Å; L214-I257 HydrophobicContact CD2-CG1 4.15Å; L214-I257 HydrophobicContact CD2-CG2 4.24Å; L214-I257 HydrophobicContact CG-CG1 3.96Å; L214-I257 HydrophobicContact CG-CG2 3.88Å; L214-M259 HydrophobicContact CD2-SD 4.35Å; L214-L262 HydrophobicContact CD1-CD2 4.09Å | ||
| 215 | V | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -126.8 | 161.6 | -178.1 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | V204 F207 I213 C219 L223 V251 | V204-V215 HydrophobicContact CG1-CG2 4.49Å; V204-V215 WeakPolarHBondContact CG1-O 3.35Å; V204-V215 HydrophobicContact CG2-CG2 4.11Å; F207-V215 HydrophobicContact CD1-CG1 4.01Å; F207-V215 HydrophobicContact CD1-CG2 4.19Å; F207-V215 HydrophobicContact CE1-CG1 3.95Å; I213-V215 HydrophobicContact CG2-CG1 3.79Å; V215-C219 HydrophobicContact CB-CB 3.73Å; V215-C219 HydrophobicContact CG2-CB 3.77Å; V215-L223 HydrophobicContact CG2-CD1 3.78Å; V215-V251 HydrophobicContact CG1-CG1 4.03Å | ||
| 216 | E | 97.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.019 | 20% | 0.199 | C | C | . | . | trans | -71.5 | 160.6 | 176.9 | -77.7 | 179.9 | -146.8 | 0 | 0 | 112.3 | N16 T171 A218 C219 G220 G253 G254 N255 N256 I257 | N16-E216 PolarHBondContact ND2-OE1 2.94Å; N16-E216 PolarHBondContact ND2-OE2 3.38Å; N16-E216 PolarHBondContact OD1-OE1 2.93Å; T171-E216 WeakPolarHBondContact CB-OE2 3.36Å; T171-E216 PolarHBondContact OG1-OE2 3.21Å; E216-A218 PolarHBondContact O-N 3.03Å; E216-A218 VanDerWaalsContact O-N 3.12Å; E216-C219 WeakPolarHBondContact O-CA 3.3Å; E216-C219 WeakPolarHBondContact O-CB 3.24Å; E216-C219 PolarHBondContact O-N 3.38Å; E216-G220 PolarHBondContact O-N 3.04Å; E216-G253 PolarHBondContact N-O 3.41Å; E216-G254 WeakPolarHBondContact OE1-CA 3.29Å; E216-N255 PolarHBondContact OE1-N 2.99Å; E216-N256 HydrophobicContact CG-CB 4.44Å; E216-N256 WeakPolarHBondContact OE1-CB 3.39Å; E216-N256 PolarHBondContact OE1-N 3.42Å; E216-I257 HydrophobicContact CG-CB 4.06Å; E216-I257 HydrophobicContact CG-CG2 4.21Å | ||
| 217 | P | 98.4 | Very high | 98.6 | Very high | 8 Ų | 8 | 39.6 Ų | 39.6 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.2 | -28.9 | 172.2 | -26.9 | 35.8 | 0 | 0 | 0 | 114.3 | V168 A169 V201 G220 A221 L265 | V168-P217 HydrophobicContact CG2-CB 4.39Å; V168-P217 HydrophobicContact CG2-CG 4.5Å; A169-P217 HydrophobicContact CB-CB 3.88Å; V201-P217 HydrophobicContact CG2-CB 4.34Å; V201-P217 HydrophobicContact CG2-CG 4.23Å; P217-G220 CarbonylContact O-C 3.56Å; P217-G220 WeakPolarHBondContact O-CA 3.47Å; P217-G220 PolarHBondContact O-N 3.37Å; P217-A221 PolarHBondContact O-N 2.9Å; P217-L265 HydrophobicContact CG-CD1 3.6Å |
| 218 | A | 98.1 | Very high | 98.5 | Very high | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.017 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S115 T171 L172 E216 A221 | S115-A218 WeakPolarHBondContact CB-O 3.45Å; S115-A218 PolarHBondContact OG-O 3.37Å; T171-A218 HydrophobicContact CG2-CB 3.98Å; L172-A218 HydrophobicContact CD1-CB 4.42Å; L172-A218 HydrophobicContact CD2-CB 3.57Å; L172-A218 HydrophobicContact CG-CB 3.68Å; E216-A218 PolarHBondContact O-N 3.03Å; E216-A218 VanDerWaalsContact O-N 3.12Å; A218-A221 WeakPolarHBondContact O-CB 3.37Å; A218-A221 PolarHBondContact O-N 2.88Å |
| 219 | C | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.1 | -36.4 | 172.2 | -171 | 0 | 0 | 0 | 0 | 111.3 | V215 E216 A221 A222 L223 C252 G253 | V215-C219 HydrophobicContact CB-CB 3.73Å; V215-C219 HydrophobicContact CG2-CB 3.77Å; E216-C219 WeakPolarHBondContact O-CA 3.3Å; E216-C219 WeakPolarHBondContact O-CB 3.24Å; E216-C219 PolarHBondContact O-N 3.38Å; C219-A221 PolarHBondContact O-N 3.31Å; C219-A222 WeakPolarHBondContact O-CB 3.45Å; C219-A222 PolarHBondContact O-N 3.39Å; C219-L223 WeakPolarHBondContact O-CG 3.49Å; C219-L223 PolarHBondContact O-N 3.43Å; C219-C252 WeakPolarHBondContact CA-SG 3.3Å; C219-C252 WeakPolarHBondContact CB-SG 3.15Å; C219-G253 WeakPolarHBondContact CB-O 3.47Å; C219-G253 PolarHBondContact SG-N 3.18Å |
| 220 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -52.5 | -37.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A200 A203 E216 P217 L223 A224 | A200-G220 WeakPolarHBondContact O-CA 3.32Å; A203-G220 WeakPolarHBondContact CB-O 3.49Å; E216-G220 PolarHBondContact O-N 3.04Å; P217-G220 CarbonylContact O-C 3.56Å; P217-G220 WeakPolarHBondContact O-CA 3.47Å; P217-G220 PolarHBondContact O-N 3.37Å; G220-L223 PolarHBondContact O-N 2.89Å; G220-A224 WeakPolarHBondContact O-CB 3.48Å; G220-A224 PolarHBondContact O-N 3.23Å |
| 221 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | M142 T144 L172 V195 A200 P217 A218 C219 A224 | M142-A221 HydrophobicContact CB-CB 4.42Å; M142-A221 VanDerWaalsContact CB-O 3.27Å; M142-A221 WeakPolarHBondContact CB-O 3.4Å; M142-A221 WeakPolarHBondContact CE-O 3.34Å; M142-A221 WeakPolarHBondContact CG-O 3.48Å; T144-A221 HydrophobicContact CG2-CB 4.03Å; L172-A221 HydrophobicContact CD1-CB 3.92Å; V195-A221 HydrophobicContact CG2-CB 4.29Å; A200-A221 HydrophobicContact CB-CB 4.41Å; P217-A221 PolarHBondContact O-N 2.9Å; A218-A221 WeakPolarHBondContact O-CB 3.37Å; A218-A221 PolarHBondContact O-N 2.88Å; C219-A221 PolarHBondContact O-N 3.31Å; A221-A224 PolarHBondContact O-N 2.95Å |
| 222 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63 | -46.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V113 C219 A224 A225 V249 | V113-A222 HydrophobicContact CG1-CB 4.38Å; V113-A222 VanDerWaalsContact CG1-O 3.3Å; V113-A222 WeakPolarHBondContact CG1-O 3.26Å; C219-A222 WeakPolarHBondContact O-CB 3.45Å; C219-A222 PolarHBondContact O-N 3.39Å; A222-A224 VanDerWaalsContact C-N 3.28Å; A222-A224 PolarHBondContact O-N 3.38Å; A222-A225 WeakPolarHBondContact O-CB 3.44Å; A222-A225 PolarHBondContact O-N 3.24Å; A222-A225 VanDerWaalsContact O-N 3.08Å; A222-V249 HydrophobicContact CB-CG1 4.37Å |
| 223 | L | 98.9 | Very high | 98.5 | Very high | 9 Ų | 9 | 32.5 Ų | 32.5 | 5% | 0.047 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.7 | -32.8 | 179.5 | -67.3 | 165.5 | 0 | 0 | 0 | 112.7 | A203 F207 V215 C219 G220 A225 V226 Y227 V249 V251 | A203-L223 HydrophobicContact CB-CB 3.97Å; F207-L223 HydrophobicContact CB-CD1 3.7Å; F207-L223 HydrophobicContact CD1-CD1 3.81Å; F207-L223 HydrophobicContact CD2-CD1 3.9Å; F207-L223 HydrophobicContact CD2-CD2 3.53Å; F207-L223 HydrophobicContact CD2-CG 4.35Å; F207-L223 HydrophobicContact CE1-CD1 4.39Å; F207-L223 HydrophobicContact CE2-CD1 4.46Å; F207-L223 HydrophobicContact CE2-CD2 3.62Å; F207-L223 HydrophobicContact CG-CD1 3.53Å; F207-L223 HydrophobicContact CG-CD2 4.08Å; F207-L223 HydrophobicContact CG-CG 4.45Å; F207-L223 HydrophobicContact CZ-CD2 4.26Å; V215-L223 HydrophobicContact CG2-CD1 3.78Å; C219-L223 WeakPolarHBondContact O-CG 3.49Å; C219-L223 PolarHBondContact O-N 3.43Å; G220-L223 PolarHBondContact O-N 2.89Å; L223-A225 PolarHBondContact O-N 2.92Å; L223-A225 VanDerWaalsContact O-N 3.1Å; L223-V226 PolarHBondContact O-N 3.19Å; L223-Y227 HydrophobicContact CB-CD2 4.03Å; L223-Y227 HydrophobicContact CB-CE2 4.21Å; L223-Y227 WeakPolarHBondContact O-CD2 3.42Å; L223-Y227 PolarHBondContact O-N 2.87Å; L223-Y227 VanDerWaalsContact O-N 3.08Å; L223-V249 HydrophobicContact CD2-CG1 4.16Å; L223-V251 HydrophobicContact CD2-CG2 4.5Å |
| 224 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.5 | -18.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V195 A203 G220 A221 A222 V226 S228 | V195-A224 HydrophobicContact CB-CB 4.42Å; V195-A224 HydrophobicContact CG1-CB 4.08Å; V195-A224 HydrophobicContact CG2-CB 4.06Å; A203-A224 HydrophobicContact CB-CB 4.23Å; G220-A224 WeakPolarHBondContact O-CB 3.48Å; G220-A224 PolarHBondContact O-N 3.23Å; A221-A224 PolarHBondContact O-N 2.95Å; A222-A224 VanDerWaalsContact C-N 3.28Å; A222-A224 PolarHBondContact O-N 3.38Å; A224-V226 PolarHBondContact O-N 3.25Å; A224-S228 WeakPolarHBondContact O-CA 3.37Å; A224-S228 VanDerWaalsContact O-CB 3.24Å; A224-S228 WeakPolarHBondContact O-CB 3.43Å; A224-S228 PolarHBondContact O-N 3.43Å |
| 225 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.7 | -34.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V113 M142 A222 L223 I230 I231 | V113-A225 HydrophobicContact CB-CB 4.43Å; V113-A225 HydrophobicContact CG1-CB 3.45Å; V113-A225 VanDerWaalsContact CG1-CB 3.45Å; V113-A225 HydrophobicContact CG2-CB 4.15Å; M142-A225 HydrophobicContact CE-CB 4.12Å; M142-A225 HydrophobicContact CG-CB 4.09Å; M142-A225 HydrophobicContact SD-CB 3.8Å; A222-A225 WeakPolarHBondContact O-CB 3.44Å; A222-A225 PolarHBondContact O-N 3.24Å; A222-A225 VanDerWaalsContact O-N 3.08Å; L223-A225 PolarHBondContact O-N 2.92Å; L223-A225 VanDerWaalsContact O-N 3.1Å; A225-I230 WeakPolarHBondContact O-CB 3.44Å; A225-I230 PolarHBondContact O-N 2.78Å; A225-I231 HydrophobicContact CB-CD1 4.42Å; A225-I231 HydrophobicContact CB-CG1 4.4Å; A225-I231 PolarHBondContact O-N 3.09Å |
| 226 | V | 98.6 | Very high | 98.4 | Very high | 81 Ų | 81 | 33.1 Ų | 33.1 | 49% | 0.491 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -92.4 | -53.6 | 175.5 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | L223 A224 S228 D229 V249 | L223-V226 PolarHBondContact O-N 3.19Å; A224-V226 PolarHBondContact O-N 3.25Å; V226-S228 VanDerWaalsContact C-N 3.25Å; V226-S228 PolarHBondContact O-N 2.94Å; V226-D229 PolarHBondContact O-N 3.17Å; V226-V249 HydrophobicContact CG2-CG2 4.11Å |
| 227 | Y | 98.7 | Very high | 98.4 | Very high | 76 Ų | 76 | 37.1 Ų | 37.1 | 30% | 0.298 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.4 | -21.3 | -173.9 | -71.6 | -65 | 0 | 0 | 0 | 114.9 | A203 H206 F207 D210 L223 | A203-Y227 HydrophobicContact CB-CD2 3.78Å; A203-Y227 HydrophobicContact CB-CG 4.41Å; H206-Y227 HydrophobicContact CB-CD1 3.98Å; H206-Y227 HydrophobicContact CB-CE1 3.56Å; H206-Y227 HydrophobicContact CB-CE2 4.19Å; H206-Y227 HydrophobicContact CB-CG 4.45Å; H206-Y227 AromaticContact ND1-CD1 3.67Å; F207-Y227 HydrophobicContact CB-CE2 4.19Å; F207-Y227 HydrophobicContact CD2-CE2 4.44Å; D210-Y227 WeakPolarHBondContact OD2-CE1 3.46Å; D210-Y227 PolarHBondContact OD2-OH 3.11Å; L223-Y227 HydrophobicContact CB-CD2 4.03Å; L223-Y227 HydrophobicContact CB-CE2 4.21Å; L223-Y227 WeakPolarHBondContact O-CD2 3.42Å; L223-Y227 PolarHBondContact O-N 2.87Å; L223-Y227 VanDerWaalsContact O-N 3.08Å |
| 228 | S | 98.3 | Very high | 98.3 | Very high | 29 Ų | 29 | 39.8 Ų | 39.8 | 20% | 0.203 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 21.8 | 173.6 | -66.8 | 0 | 0 | 0 | 0 | 113 | E199 A224 V226 I230 | E199-S228 WeakPolarHBondContact CG-OG 3.43Å; E199-S228 WeakPolarHBondContact OE1-CB 3.48Å; E199-S228 PolarHBondContact OE1-OG 2.86Å; A224-S228 WeakPolarHBondContact O-CA 3.37Å; A224-S228 VanDerWaalsContact O-CB 3.24Å; A224-S228 WeakPolarHBondContact O-CB 3.43Å; A224-S228 PolarHBondContact O-N 3.43Å; V226-S228 VanDerWaalsContact C-N 3.25Å; V226-S228 PolarHBondContact O-N 2.94Å; S228-I230 PolarHBondContact O-N 3.4Å |
| 229 | D | 97.9 | Very high | 98.3 | Very high | 96 Ų | 96 | 44.3 Ų | 44.3 | 51% | 0.513 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 57.2 | 22.9 | 175.6 | -77.5 | -46.9 | 0 | 0 | 0 | 114.9 | V226 I231 K232 R233 | V226-D229 PolarHBondContact O-N 3.17Å; D229-I231 PolarHBondContact O-N 2.79Å; D229-K232 HydrophobicContact CB-CB 4.35Å; D229-K232 PolarHBondContact O-N 3.44Å; D229-R233 WeakPolarHBondContact O-CB 3.45Å; D229-R233 PolarHBondContact O-N 3.39Å |
| 230 | I | 98.5 | Very high | 98.2 | Very high | 13 Ų | 13 | 44.6 Ų | 44.6 | 7% | 0.067 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.2 | -43 | -177.4 | -54.3 | -62 | 0 | 0 | 0 | 111.1 | M142 E193 V195 A225 S228 K232 R233 L234 | M142-I230 HydrophobicContact CE-CG1 4.16Å; M142-I230 HydrophobicContact SD-CG2 4.48Å; E193-I230 HydrophobicContact CB-CG2 4.02Å; E193-I230 HydrophobicContact CG-CG2 3.77Å; V195-I230 HydrophobicContact CG1-CD1 4.39Å; V195-I230 HydrophobicContact CG1-CG1 4.4Å; A225-I230 WeakPolarHBondContact O-CB 3.44Å; A225-I230 PolarHBondContact O-N 2.78Å; S228-I230 PolarHBondContact O-N 3.4Å; I230-K232 VanDerWaalsContact C-N 3.31Å; I230-K232 PolarHBondContact O-N 2.84Å; I230-R233 PolarHBondContact O-N 3.1Å; I230-L234 HydrophobicContact CG2-CD1 4.23Å; I230-L234 HydrophobicContact CG2-CG 4.4Å; I230-L234 WeakPolarHBondContact O-CB 3.35Å; I230-L234 WeakPolarHBondContact O-CG 2.83Å; I230-L234 PolarHBondContact O-N 2.83Å |
| 231 | I | 98.3 | Very high | 98 | Very high | 19 Ų | 19 | 47.2 Ų | 47.2 | 10% | 0.097 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57 | -48.4 | 174.8 | -62.3 | -56.7 | 0 | 0 | 0 | 110.4 | V113 V140 A225 D229 R233 L234 Q235 L240 L244 V247 | V113-I231 HydrophobicContact CG2-CD1 3.95Å; V140-I231 HydrophobicContact CB-CD1 4.47Å; V140-I231 HydrophobicContact CG2-CD1 3.84Å; A225-I231 HydrophobicContact CB-CD1 4.42Å; A225-I231 HydrophobicContact CB-CG1 4.4Å; A225-I231 PolarHBondContact O-N 3.09Å; D229-I231 PolarHBondContact O-N 2.79Å; I231-R233 VanDerWaalsContact C-N 3.35Å; I231-R233 PolarHBondContact O-N 2.81Å; I231-L234 PolarHBondContact O-N 3.48Å; I231-Q235 WeakPolarHBondContact O-CG 3.42Å; I231-Q235 PolarHBondContact O-N 3.01Å; I231-L240 HydrophobicContact CD1-CD1 4.17Å; I231-L240 HydrophobicContact CG2-CD1 4.34Å; I231-L244 HydrophobicContact CG2-CD1 4.02Å; I231-V247 HydrophobicContact CD1-CG1 4.42Å |
| 232 | K | 97.6 | Very high | 97.6 | Very high | 124 Ų | 124 | 52.9 Ų | 52.9 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 179.4 | -173.7 | 179.8 | -178.8 | -178.9 | 0 | 111.7 | D229 I230 Q235 V236 | D229-K232 HydrophobicContact CB-CB 4.35Å; D229-K232 PolarHBondContact O-N 3.44Å; I230-K232 VanDerWaalsContact C-N 3.31Å; I230-K232 PolarHBondContact O-N 2.84Å; K232-Q235 WeakPolarHBondContact O-CB 3.3Å; K232-Q235 PolarHBondContact O-N 3.09Å; K232-V236 WeakPolarHBondContact O-CG2 3.25Å; K232-V236 PolarHBondContact O-N 3.05Å |
| 233 | R | 98.1 | Very high | 97.2 | Very high | 86 Ų | 86 | 61.5 Ų | 61.5 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 175.2 | -179.8 | 177.5 | 59.2 | 83.2 | -2 | 111.4 | E193 D229 I230 I231 Q235 V236 E237 | E193-R233 VanDerWaalsContact CD-NH2 3.31Å; E193-R233 IonicContact OE1-NH2 3.81Å; E193-R233 IonicContact OE2-CZ 3.75Å; E193-R233 IonicContact OE2-NH1 3.95Å; E193-R233 IonicContact OE2-NH2 3.73Å; E193-R233 PolarHBondContact OE2-NH2 3.5Å; D229-R233 WeakPolarHBondContact O-CB 3.45Å; D229-R233 PolarHBondContact O-N 3.39Å; I230-R233 PolarHBondContact O-N 3.1Å; I231-R233 VanDerWaalsContact C-N 3.35Å; I231-R233 PolarHBondContact O-N 2.81Å; R233-Q235 VanDerWaalsContact C-N 3.26Å; R233-Q235 PolarHBondContact O-N 3.14Å; R233-V236 PolarHBondContact O-N 3.2Å; R233-V236 VanDerWaalsContact O-N 3.14Å; R233-E237 WeakPolarHBondContact CD-OE1 3.24Å; R233-E237 HydrophobicContact CG-CG 4.35Å; R233-E237 WeakPolarHBondContact CG-OE1 3.29Å; R233-E237 IonicContact CZ-OE1 2.75Å; R233-E237 IonicContact NE-OE1 2.64Å; R233-E237 IonicContact NH1-OE1 2.82Å; R233-E237 PolarHBondContact NH1-OE1 3.34Å; R233-E237 IonicContact NH1-OE2 2.78Å; R233-E237 PolarHBondContact NH1-OE2 3.27Å; R233-E237 WeakPolarHBondContact O-CG 3.49Å; R233-E237 PolarHBondContact O-N 3.21Å |
| 234 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.7 | -34.4 | 177.1 | -73.2 | 176.5 | 0 | 0 | 0 | 112.6 | V140 F191 E193 I230 I231 G238 K239 L240 | V140-L234 HydrophobicContact CG1-CD1 4.05Å; V140-L234 HydrophobicContact CG2-CD1 3.91Å; F191-L234 HydrophobicContact CB-CD1 4.15Å; F191-L234 HydrophobicContact CB-CD2 4.48Å; F191-L234 HydrophobicContact CD2-CD1 4.43Å; F191-L234 HydrophobicContact CG-CD1 4.36Å; F191-L234 HydrophobicContact CG-CD2 4.43Å; E193-L234 HydrophobicContact CG-CD1 4.39Å; E193-L234 WeakPolarHBondContact OE1-CD2 3.22Å; I230-L234 HydrophobicContact CG2-CD1 4.23Å; I230-L234 HydrophobicContact CG2-CG 4.4Å; I230-L234 WeakPolarHBondContact O-CB 3.35Å; I230-L234 WeakPolarHBondContact O-CG 2.83Å; I230-L234 PolarHBondContact O-N 2.83Å; I231-L234 PolarHBondContact O-N 3.48Å; L234-G238 PolarHBondContact O-N 2.9Å; L234-K239 HydrophobicContact CB-CB 4.44Å; L234-K239 HydrophobicContact CD2-CB 4.04Å; L234-K239 HydrophobicContact CD2-CD 3.46Å; L234-K239 VanDerWaalsContact CD2-CD 3.46Å; L234-K239 HydrophobicContact CD2-CG 4.42Å; L234-K239 WeakPolarHBondContact O-CB 3.47Å; L234-K239 PolarHBondContact O-N 3.17Å; L234-L240 HydrophobicContact CB-CB 4.25Å; L234-L240 HydrophobicContact CB-CD1 3.71Å; L234-L240 HydrophobicContact CB-CG 3.87Å; L234-L240 HydrophobicContact CD1-CD1 3.82Å; L234-L240 HydrophobicContact CD1-CG 4.32Å; L234-L240 HydrophobicContact CG-CD1 4.44Å; L234-L240 PolarHBondContact O-N 2.88Å |
| 235 | Q | 97.9 | Very high | 96.4 | Very high | 35 Ų | 35 | 64.6 Ų | 64.6 | 16% | 0.164 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.2 | -48.4 | 172.3 | -66.4 | 178 | -58.9 | 0 | 0 | 111.5 | I231 K232 R233 E237 G238 L240 A241 Q242 L244 | I231-Q235 WeakPolarHBondContact O-CG 3.42Å; I231-Q235 PolarHBondContact O-N 3.01Å; K232-Q235 WeakPolarHBondContact O-CB 3.3Å; K232-Q235 PolarHBondContact O-N 3.09Å; R233-Q235 VanDerWaalsContact C-N 3.26Å; R233-Q235 PolarHBondContact O-N 3.14Å; Q235-E237 VanDerWaalsContact C-N 3.26Å; Q235-E237 PolarHBondContact O-N 3.32Å; Q235-G238 WeakPolarHBondContact O-CA 3.29Å; Q235-G238 PolarHBondContact O-N 2.86Å; Q235-L240 HydrophobicContact CG-CB 3.9Å; Q235-A241 WeakPolarHBondContact CG-O 3.46Å; Q235-A241 PolarHBondContact NE2-O 2.86Å; Q235-Q242 VanDerWaalsContact C-NE2 3.34Å; Q235-Q242 PolarHBondContact NE2-O 3.02Å; Q235-Q242 PolarHBondContact O-NE2 2.92Å; Q235-L244 HydrophobicContact CG-CD1 4.13Å |
| 236 | V | 97.8 | Very high | 96.2 | Very high | 113 Ų | 113 | 66.9 Ų | 66.9 | 69% | 0.685 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -59.8 | -37.3 | 177.9 | 171.6 | 0 | 0 | 0 | 0 | 111.9 | K232 R233 G238 | K232-V236 WeakPolarHBondContact O-CG2 3.25Å; K232-V236 PolarHBondContact O-N 3.05Å; R233-V236 PolarHBondContact O-N 3.2Å; R233-V236 VanDerWaalsContact O-N 3.14Å; V236-G238 PolarHBondContact O-N 2.94Å |
| 237 | E | 97.7 | Very high | 96.2 | Very high | 89 Ų | 89 | 65.5 Ų | 65.5 | 42% | 0.416 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -5.4 | 174.8 | -70.7 | 175.7 | -164.6 | 0 | 0 | 113.5 | R233 Q235 K239 | R233-E237 WeakPolarHBondContact CD-OE1 3.24Å; R233-E237 HydrophobicContact CG-CG 4.35Å; R233-E237 WeakPolarHBondContact CG-OE1 3.29Å; R233-E237 IonicContact CZ-OE1 2.75Å; R233-E237 IonicContact NE-OE1 2.64Å; R233-E237 IonicContact NH1-OE1 2.82Å; R233-E237 PolarHBondContact NH1-OE1 3.34Å; R233-E237 IonicContact NH1-OE2 2.78Å; R233-E237 PolarHBondContact NH1-OE2 3.27Å; R233-E237 WeakPolarHBondContact O-CG 3.49Å; R233-E237 PolarHBondContact O-N 3.21Å; Q235-E237 VanDerWaalsContact C-N 3.26Å; Q235-E237 PolarHBondContact O-N 3.32Å; E237-K239 HydrophobicContact CB-CD 4.34Å; E237-K239 HydrophobicContact CB-CG 4.29Å; E237-K239 PolarHBondContact O-N 2.95Å; E237-K239 WeakPolarHBondContact OE2-CD 3.33Å; E237-K239 VanDerWaalsContact OE2-CE 3.26Å; E237-K239 WeakPolarHBondContact OE2-CE 3.4Å; E237-K239 IonicContact OE2-NZ 3.65Å; E237-K239 PolarHBondContact OE2-NZ 2.8Å |
| 238 | G | 97.3 | Very high | 96.2 | Very high | 63 Ų | 63 | 63 Ų | 63 | 65% | 0.649 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 12.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L234 Q235 V236 | L234-G238 PolarHBondContact O-N 2.9Å; Q235-G238 WeakPolarHBondContact O-CA 3.29Å; Q235-G238 PolarHBondContact O-N 2.86Å; V236-G238 PolarHBondContact O-N 2.94Å |
| 239 | K | 97.2 | Very high | 96.2 | Very high | 97 Ų | 97 | 63.6 Ų | 63.6 | 42% | 0.422 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -80.1 | -37.9 | 177.2 | -73.4 | 175.9 | 177.9 | 163.9 | 0 | 111.9 | F191 L234 E237 | F191-K239 HydrophobicContact CD1-CB 4.25Å; F191-K239 HydrophobicContact CD1-CD 4.13Å; F191-K239 HydrophobicContact CD1-CG 4.5Å; F191-K239 HydrophobicContact CE1-CB 3.67Å; F191-K239 HydrophobicContact CE1-CD 4.14Å; F191-K239 HydrophobicContact CE1-CG 4.02Å; F191-K239 HydrophobicContact CZ-CB 3.88Å; F191-K239 WeakPolarHBondContact CZ-O 3.44Å; L234-K239 HydrophobicContact CB-CB 4.44Å; L234-K239 HydrophobicContact CD2-CB 4.04Å; L234-K239 HydrophobicContact CD2-CD 3.46Å; L234-K239 VanDerWaalsContact CD2-CD 3.46Å; L234-K239 HydrophobicContact CD2-CG 4.42Å; L234-K239 WeakPolarHBondContact O-CB 3.47Å; L234-K239 PolarHBondContact O-N 3.17Å; E237-K239 HydrophobicContact CB-CD 4.34Å; E237-K239 HydrophobicContact CB-CG 4.29Å; E237-K239 PolarHBondContact O-N 2.95Å; E237-K239 WeakPolarHBondContact OE2-CD 3.33Å; E237-K239 VanDerWaalsContact OE2-CE 3.26Å; E237-K239 WeakPolarHBondContact OE2-CE 3.4Å; E237-K239 IonicContact OE2-NZ 3.65Å; E237-K239 PolarHBondContact OE2-NZ 2.8Å |
| 240 | L | 97.6 | Very high | 96.3 | Very high | 7 Ų | 7 | 59.7 Ų | 59.7 | 4% | 0.037 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -107.9 | 152.4 | 170.5 | -71.1 | 178 | 0 | 0 | 0 | 110.6 | A111 P138 V140 F191 I231 L234 Q235 L244 | A111-L240 HydrophobicContact CB-CD2 4.49Å; P138-L240 HydrophobicContact CB-CD2 3.99Å; P138-L240 HydrophobicContact CG-CD2 3.5Å; P138-L240 VanDerWaalsContact CG-CD2 3.5Å; V140-L240 HydrophobicContact CG2-CD1 4.26Å; F191-L240 HydrophobicContact CD2-CD2 4.05Å; F191-L240 HydrophobicContact CD2-CG 4.41Å; F191-L240 HydrophobicContact CE2-CD2 3.55Å; F191-L240 HydrophobicContact CE2-CG 4.11Å; I231-L240 HydrophobicContact CD1-CD1 4.17Å; I231-L240 HydrophobicContact CG2-CD1 4.34Å; L234-L240 HydrophobicContact CB-CB 4.25Å; L234-L240 HydrophobicContact CB-CD1 3.71Å; L234-L240 HydrophobicContact CB-CG 3.87Å; L234-L240 HydrophobicContact CD1-CD1 3.82Å; L234-L240 HydrophobicContact CD1-CG 4.32Å; L234-L240 HydrophobicContact CG-CD1 4.44Å; L234-L240 PolarHBondContact O-N 2.88Å; Q235-L240 HydrophobicContact CG-CB 3.9Å; L240-L244 HydrophobicContact CB-CD1 4.22Å; L240-L244 HydrophobicContact CB-CD2 4.42Å; L240-L244 HydrophobicContact CD1-CD1 4.17Å; L240-L244 HydrophobicContact CD2-CD2 4.39Å |
| 241 | A | 94.5 | Very high | 96.3 | Very high | 55 Ų | 55 | 62.1 Ų | 62.1 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | trans | -61.5 | 142.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q235 H243 L244 | Q235-A241 WeakPolarHBondContact CG-O 3.46Å; Q235-A241 PolarHBondContact NE2-O 2.86Å; A241-H243 PolarHBondContact O-N 2.73Å; A241-L244 HydrophobicContact CB-CD2 4.27Å; A241-L244 WeakPolarHBondContact O-CG 3.49Å | ||
| 242 | Q | 90.6 | Very high | 96.3 | Very high | 119 Ų | 119 | 63.9 Ų | 63.9 | 56% | 0.556 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -62.9 | -34 | 175.6 | -70.7 | -66.8 | -30.1 | 0 | 0 | 112.1 | Q235 | Q235-Q242 VanDerWaalsContact C-NE2 3.34Å; Q235-Q242 PolarHBondContact NE2-O 3.02Å; Q235-Q242 PolarHBondContact O-NE2 2.92Å |
| 243 | H | 89.6 | Confident | 96.3 | Very high | 180 Ų | 180 | 58.8 Ų | 58.8 | 83% | 0.833 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -111.2 | 92.5 | 171.8 | -59.6 | -59.4 | 0 | 0 | 0 | 108.4 | A241 | A241-H243 PolarHBondContact O-N 2.73Š|
| 244 | L | 88.8 | Confident | 96.1 | Very high | 44 Ų | 44 | 56 Ų | 56 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | trans | -81.8 | 146.2 | 171.7 | -73.6 | 161.3 | 0 | 0 | 0 | 109.4 | G110 I231 Q235 L240 A241 V247 | G110-L244 WeakPolarHBondContact O-CD2 3.48Å; I231-L244 HydrophobicContact CG2-CD1 4.02Å; Q235-L244 HydrophobicContact CG-CD1 4.13Å; L240-L244 HydrophobicContact CB-CD1 4.22Å; L240-L244 HydrophobicContact CB-CD2 4.42Å; L240-L244 HydrophobicContact CD1-CD1 4.17Å; L240-L244 HydrophobicContact CD2-CD2 4.39Å; A241-L244 HydrophobicContact CB-CD2 4.27Å; A241-L244 WeakPolarHBondContact O-CG 3.49Å; L244-V247 HydrophobicContact CB-CG2 4.49Å; L244-V247 HydrophobicContact CD1-CG2 4.1Å | ||
| 245 | G | 91.7 | Very high | 95.7 | Very high | 31 Ų | 31 | 57.7 Ų | 57.7 | 32% | 0.32 | 35% | 0.347 | S | S | . | . | trans | -64.1 | -169.1 | 155 | 0 | 0 | 0 | 0 | 0 | 111.1 | V247 | G245-V247 PolarHBondContact O-N 3.41Š| ||
| 246 | P | 95.6 | Very high | 95.3 | Very high | 47 Ų | 47 | 58.1 Ų | 58.1 | 31% | 0.305 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 133.7 | 179.3 | -24.7 | 34.2 | 0 | 0 | 0 | 111.6 | E107 P109 G110 | E107-P246 HydrophobicContact CG-CG 3.82Å; E107-P246 VanDerWaalsContact OE1-CD 3.27Å; E107-P246 WeakPolarHBondContact OE1-CD 3.49Å; E107-P246 WeakPolarHBondContact OE1-CG 3.48Å; P109-P246 CarbonylContact C-O 3.45Å; P109-P246 WeakPolarHBondContact CA-O 3.46Å; P109-P246 VanDerWaalsContact CB-O 3.32Å; P109-P246 WeakPolarHBondContact CB-O 3.42Å; G110-P246 PolarHBondContact N-O 3.15Å |
| 247 | V | 97.9 | Very high | 95.1 | Very high | 53 Ų | 53 | 53.5 Ų | 53.5 | 32% | 0.321 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 119.8 | 171.3 | 177.6 | 0 | 0 | 0 | 0 | 107.8 | A111 V113 I231 L244 G245 | A111-V247 HydrophobicContact CB-CG1 4.49Å; A111-V247 HydrophobicContact CB-CG2 4.47Å; V113-V247 HydrophobicContact CG2-CG1 3.78Å; I231-V247 HydrophobicContact CD1-CG1 4.42Å; L244-V247 HydrophobicContact CB-CG2 4.49Å; L244-V247 HydrophobicContact CD1-CG2 4.1Å; G245-V247 PolarHBondContact O-N 3.41Å |
| 248 | V | 98.8 | Very high | 94.9 | Very high | 24 Ų | 24 | 50.6 Ų | 50.6 | 15% | 0.145 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 122 | 177.7 | 177.1 | 0 | 0 | 0 | 0 | 108.7 | L101 L105 P109 A111 I112 V113 | L101-V248 HydrophobicContact CD1-CG1 3.95Å; L101-V248 HydrophobicContact CD1-CG2 4.49Å; L101-V248 HydrophobicContact CD2-CG1 3.91Å; L101-V248 HydrophobicContact CD2-CG2 4.36Å; L105-V248 HydrophobicContact CD1-CG2 3.97Å; P109-V248 HydrophobicContact CB-CG2 3.88Å; A111-V248 PolarHBondContact O-N 3.23Å; I112-V248 CarbonylContact C-O 3.55Å; I112-V248 WeakPolarHBondContact CA-O 3.38Å; I112-V248 HydrophobicContact CG1-CB 4.41Å; V113-V248 PolarHBondContact N-O 3.36Å |
| 249 | V | 98.9 | Very high | 94.9 | Very high | 40 Ų | 40 | 52.7 Ų | 52.7 | 24% | 0.242 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 118.8 | 172.2 | -174.6 | 0 | 0 | 0 | 0 | 109 | V113 A222 L223 V226 V251 | V113-V249 HydrophobicContact CB-CB 4.38Å; V113-V249 HydrophobicContact CB-CG1 4.24Å; V113-V249 HydrophobicContact CB-CG2 4.1Å; V113-V249 HydrophobicContact CG1-CG1 4.36Å; V113-V249 HydrophobicContact CG2-CG2 4.13Å; A222-V249 HydrophobicContact CB-CG1 4.37Å; L223-V249 HydrophobicContact CD2-CG1 4.16Å; V226-V249 HydrophobicContact CG2-CG2 4.11Å; V249-V251 PolarHBondContact O-N 2.94Å; V249-V251 VanDerWaalsContact O-N 3.11Å |
| 250 | V | 98.9 | Very high | 94.8 | Very high | 15 Ų | 15 | 55.1 Ų | 55.1 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | trans | -75.3 | 101.5 | 175.1 | -178.4 | 0 | 0 | 0 | 0 | 109 | L97 I112 V113 L114 L121 C252 | L97-V250 HydrophobicContact CD1-CG1 3.71Å; L97-V250 HydrophobicContact CD1-CG2 4.03Å; L97-V250 HydrophobicContact CD2-CG2 4.24Å; I112-V250 HydrophobicContact CG2-CG2 3.98Å; V113-V250 PolarHBondContact O-N 3.46Å; L114-V250 HydrophobicContact CB-CB 4.21Å; L114-V250 HydrophobicContact CB-CG2 4.31Å; L121-V250 HydrophobicContact CD2-CG1 4.07Å; V250-C252 VanDerWaalsContact C-N 3.28Å; V250-C252 PolarHBondContact O-N 2.89Å | ||
| 251 | V | 98.8 | Very high | 94.7 | Very high | 64 Ų | 64 | 55.6 Ų | 55.6 | 39% | 0.388 | 32% | 0.32 | S | S | . | . | trans | -75.4 | 82.2 | 173.4 | -173.5 | 0 | 0 | 0 | 0 | 108.5 | F207 V215 L223 V249 G253 | F207-V251 HydrophobicContact CE1-CG1 3.81Å; F207-V251 HydrophobicContact CE2-CG2 4.43Å; F207-V251 HydrophobicContact CZ-CG1 3.89Å; F207-V251 HydrophobicContact CZ-CG2 3.86Å; V215-V251 HydrophobicContact CG1-CG1 4.03Å; L223-V251 HydrophobicContact CD2-CG2 4.5Å; V249-V251 PolarHBondContact O-N 2.94Å; V249-V251 VanDerWaalsContact O-N 3.11Å; V251-G253 PolarHBondContact O-N 3.3Å; V251-G253 VanDerWaalsContact O-N 3.12Å | ||
| 252 | C | 97.8 | Very high | 94.9 | Very high | 55 Ų | 55 | 53.1 Ų | 53.1 | 37% | 0.372 | 30% | 0.3 | S | S | . | . | trans | -65.7 | -13 | -177.7 | 62.6 | 0 | 0 | 0 | 0 | 113.4 | S115 C219 V250 G254 | S115-C252 PolarHBondContact OG-SG 3.13Å; C219-C252 WeakPolarHBondContact CA-SG 3.3Å; C219-C252 WeakPolarHBondContact CB-SG 3.15Å; V250-C252 VanDerWaalsContact C-N 3.28Å; V250-C252 PolarHBondContact O-N 2.89Å; C252-G254 PolarHBondContact O-N 3.3Å | ||
| 253 | G | 98 | Very high | 95.2 | Very high | 18 Ų | 18 | 51.7 Ų | 51.7 | 19% | 0.186 | 29% | 0.293 | C | S | . | . | trans | 72.1 | -112.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E216 C219 V251 | E216-G253 PolarHBondContact N-O 3.41Å; C219-G253 WeakPolarHBondContact CB-O 3.47Å; C219-G253 PolarHBondContact SG-N 3.18Å; V251-G253 PolarHBondContact O-N 3.3Å; V251-G253 VanDerWaalsContact O-N 3.12Å | ||
| 254 | G | 94 | Very high | 95.6 | Very high | 27 Ų | 27 | 50.3 Ų | 50.3 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | trans | 113.6 | 146.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | N16 E216 C252 | N16-G254 WeakPolarHBondContact OD1-CA 3.3Å; E216-G254 WeakPolarHBondContact OE1-CA 3.29Å; C252-G254 PolarHBondContact O-N 3.3Å | ||
| 255 | N | 91.1 | Very high | 96 | Very high | 36 Ų | 36 | 49.1 Ų | 49.1 | 19% | 0.193 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -98.9 | -21.6 | -177.5 | 80.3 | 90.8 | 0 | 0 | 0 | 113.4 | N16 R47 E216 I257 | N16-N255 PolarHBondContact OD1-N 3.15Å; N16-N255 PolarHBondContact OD1-ND2 3.41Å; R47-N255 PolarHBondContact NH1-O 3.36Å; E216-N255 PolarHBondContact OE1-N 2.99Å; N255-I257 PolarHBondContact O-N 2.89Å |
| 256 | N | 88.3 | Confident | 96.3 | Very high | 43 Ų | 43 | 48.4 Ų | 48.4 | 23% | 0.23 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -84.5 | 46.2 | -174.6 | -166.2 | 34 | 0 | 0 | 0 | 113.1 | E216 Q261 | E216-N256 HydrophobicContact CG-CB 4.44Å; E216-N256 WeakPolarHBondContact OE1-CB 3.39Å; E216-N256 PolarHBondContact OE1-N 3.42Å; N256-Q261 PolarHBondContact O-OE1 3.26Å; N256-Q261 PolarHBondContact OD1-NE2 2.96Å |
| 257 | I | 94.1 | Very high | 96.4 | Very high | 16 Ų | 16 | 53.9 Ų | 53.9 | 8% | 0.082 | 28% | 0.281 | C | S | . | . | trans | -138.5 | 151.4 | 175.2 | -165.6 | 63 | 0 | 0 | 0 | 110.7 | L214 E216 N255 Q261 L262 L265 | L214-I257 HydrophobicContact CD1-CG1 3.92Å; L214-I257 HydrophobicContact CD2-CG1 4.15Å; L214-I257 HydrophobicContact CD2-CG2 4.24Å; L214-I257 HydrophobicContact CG-CG1 3.96Å; L214-I257 HydrophobicContact CG-CG2 3.88Å; E216-I257 HydrophobicContact CG-CB 4.06Å; E216-I257 HydrophobicContact CG-CG2 4.21Å; N255-I257 PolarHBondContact O-N 2.89Å; I257-Q261 HydrophobicContact CD1-CB 4.07Å; I257-L262 HydrophobicContact CD1-CB 4.31Å; I257-L265 HydrophobicContact CD1-CD1 3.99Å | ||
| 258 | S | 94.4 | Very high | 96.4 | Very high | 29 Ų | 29 | 57.7 Ų | 57.7 | 20% | 0.203 | 30% | 0.295 | C | S | . | . | trans | -155.5 | 168.4 | 173.6 | 78.1 | 0 | 0 | 0 | 0 | 108.4 | E260 Q261 L262 | S258-E260 VanDerWaalsContact C-N 3.26Å; S258-E260 PolarHBondContact O-N 3.17Å; S258-E260 PolarHBondContact OG-N 2.91Å; S258-Q261 PolarHBondContact O-N 3.34Å; S258-Q261 WeakPolarHBondContact OG-CG 3.41Å; S258-Q261 PolarHBondContact OG-N 3.49Å; S258-Q261 VanDerWaalsContact OG-N 3.11Å; S258-L262 WeakPolarHBondContact O-CB 3.36Å; S258-L262 PolarHBondContact O-N 2.87Å | ||
| 259 | M | 96.5 | Very high | 96.3 | Very high | 107 Ų | 107 | 57.8 Ų | 57.8 | 53% | 0.527 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58 | -40.8 | 175.2 | -69.2 | -55.6 | -63.9 | 0 | 0 | 112.2 | L208 L214 L262 Q263 | L208-M259 HydrophobicContact CD2-CE 4.27Å; L208-M259 HydrophobicContact CD2-SD 3.84Å; L214-M259 HydrophobicContact CD2-SD 4.35Å; M259-L262 PolarHBondContact O-N 3.41Å; M259-Q263 WeakPolarHBondContact O-CG 3.42Å; M259-Q263 PolarHBondContact O-N 3.28Å |
| 260 | E | 95.8 | Very high | 96.2 | Very high | 147 Ų | 147 | 59 Ų | 59 | 69% | 0.687 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64 | -44.4 | 176.2 | -174.4 | -174.2 | 173 | 0 | 0 | 111.4 | S258 L262 Q263 R264 | S258-E260 VanDerWaalsContact C-N 3.26Å; S258-E260 PolarHBondContact O-N 3.17Å; S258-E260 PolarHBondContact OG-N 2.91Å; E260-L262 PolarHBondContact O-N 2.9Å; E260-Q263 PolarHBondContact O-N 2.74Å; E260-R264 WeakPolarHBondContact O-CB 3.5Å; E260-R264 PolarHBondContact O-N 3.01Å |
| 261 | Q | 95.1 | Very high | 96.1 | Very high | 17 Ų | 17 | 60.5 Ų | 60.5 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 177.7 | -70.8 | 173.7 | -45.9 | 0 | 0 | 111.5 | N256 I257 S258 R264 L265 | N256-Q261 PolarHBondContact O-OE1 3.26Å; N256-Q261 PolarHBondContact OD1-NE2 2.96Å; I257-Q261 HydrophobicContact CD1-CB 4.07Å; S258-Q261 PolarHBondContact O-N 3.34Å; S258-Q261 WeakPolarHBondContact OG-CG 3.41Å; S258-Q261 PolarHBondContact OG-N 3.49Å; S258-Q261 VanDerWaalsContact OG-N 3.11Å; Q261-R264 PolarHBondContact O-N 3.15Å; Q261-L265 VanDerWaalsContact O-CG 3.27Å; Q261-L265 WeakPolarHBondContact O-CG 3.48Å; Q261-L265 PolarHBondContact O-N 2.91Å |
| 262 | L | 97.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 175.4 | 178.9 | 58.7 | 0 | 0 | 0 | 111.4 | V201 V204 L208 L214 I257 S258 M259 E260 R264 L265 K266 | V201-L262 HydrophobicContact CG1-CD1 3.87Å; V204-L262 HydrophobicContact CB-CD1 4.48Å; V204-L262 HydrophobicContact CG1-CD1 3.99Å; V204-L262 HydrophobicContact CG1-CD2 4.44Å; L208-L262 HydrophobicContact CD2-CD2 4.4Å; L214-L262 HydrophobicContact CD1-CD2 4.09Å; I257-L262 HydrophobicContact CD1-CB 4.31Å; S258-L262 WeakPolarHBondContact O-CB 3.36Å; S258-L262 PolarHBondContact O-N 2.87Å; M259-L262 PolarHBondContact O-N 3.41Å; E260-L262 PolarHBondContact O-N 2.9Å; L262-R264 VanDerWaalsContact C-N 3.31Å; L262-R264 PolarHBondContact O-N 2.77Å; L262-L265 PolarHBondContact O-N 3.27Å; L262-K266 HydrophobicContact CD1-CG 4.43Å; L262-K266 HydrophobicContact CG-CD 4.46Å; L262-K266 WeakPolarHBondContact O-CG 3.3Å; L262-K266 PolarHBondContact O-N 3.45Å |
| 263 | Q | 97.9 | Very high | 95.7 | Very high | 88 Ų | 88 | 64.3 Ų | 64.3 | 41% | 0.411 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 176.4 | -69.1 | -61.2 | -27.8 | 0 | 0 | 112.1 | M259 E260 K266 K267 I272 | M259-Q263 WeakPolarHBondContact O-CG 3.42Å; M259-Q263 PolarHBondContact O-N 3.28Å; E260-Q263 PolarHBondContact O-N 2.74Å; Q263-K266 PolarHBondContact O-N 3.48Å; Q263-K267 PolarHBondContact O-N 3.31Å; Q263-I272 VanDerWaalsContact OE1-CD1 3.3Å |
| 264 | R | 97.1 | Very high | 95.6 | Very high | 151 Ų | 151 | 66.7 Ų | 66.7 | 57% | 0.57 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.2 | -43.7 | 175.5 | -175.1 | 178.5 | 65.9 | -176.8 | 2 | 111.9 | E260 Q261 L262 K267 Q268 | E260-R264 WeakPolarHBondContact O-CB 3.5Å; E260-R264 PolarHBondContact O-N 3.01Å; Q261-R264 PolarHBondContact O-N 3.15Å; L262-R264 VanDerWaalsContact C-N 3.31Å; L262-R264 PolarHBondContact O-N 2.77Å; R264-K267 PolarHBondContact O-N 2.66Å; R264-Q268 WeakPolarHBondContact O-CB 3.43Å; R264-Q268 PolarHBondContact O-N 3.48Å |
| 265 | L | 97.7 | Very high | 95.7 | Very high | 19 Ų | 19 | 68.9 Ų | 68.9 | 10% | 0.099 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 176.6 | -72.5 | 169.8 | 0 | 0 | 0 | 111.2 | V168 V201 P217 I257 Q261 L262 K267 Q268 L269 | V168-L265 HydrophobicContact CB-CD2 3.67Å; V168-L265 HydrophobicContact CG1-CD2 4.11Å; V168-L265 HydrophobicContact CG2-CD2 3.88Å; V201-L265 HydrophobicContact CG1-CB 4.38Å; V201-L265 HydrophobicContact CG2-CB 4.31Å; V201-L265 HydrophobicContact CG2-CD1 4.46Å; P217-L265 HydrophobicContact CG-CD1 3.6Å; I257-L265 HydrophobicContact CD1-CD1 3.99Å; Q261-L265 VanDerWaalsContact O-CG 3.27Å; Q261-L265 WeakPolarHBondContact O-CG 3.48Å; Q261-L265 PolarHBondContact O-N 2.91Å; L262-L265 PolarHBondContact O-N 3.27Å; L265-K267 VanDerWaalsContact C-N 3.33Å; L265-K267 PolarHBondContact O-N 3.29Å; L265-Q268 PolarHBondContact O-N 2.89Å; L265-L269 WeakPolarHBondContact O-CB 3.4Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 3.31Å; L265-L269 PolarHBondContact O-N 3.5Å |
| 266 | K | 98.1 | Very high | 95.9 | Very high | 17 Ų | 17 | 70.8 Ų | 70.8 | 7% | 0.074 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.3 | -45.3 | 176.9 | -70.5 | -178.8 | 62.5 | 165.3 | 0 | 111.9 | V201 E205 L262 Q263 L269 G270 M271 I272 | V201-K266 HydrophobicContact CG1-CG 3.93Å; E205-K266 IonicContact OE1-NZ 2.74Å; E205-K266 PolarHBondContact OE1-NZ 3.35Å; E205-K266 WeakPolarHBondContact OE2-CE 3.35Å; E205-K266 IonicContact OE2-NZ 3.97Å; E205-K266 PolarHBondContact OE2-NZ 3.46Å; L262-K266 HydrophobicContact CD1-CG 4.43Å; L262-K266 HydrophobicContact CG-CD 4.46Å; L262-K266 WeakPolarHBondContact O-CG 3.3Å; L262-K266 PolarHBondContact O-N 3.45Å; Q263-K266 PolarHBondContact O-N 3.48Å; K266-L269 PolarHBondContact O-N 3.15Å; K266-G270 PolarHBondContact O-N 2.88Å; K266-M271 HydrophobicContact CB-CB 4.2Å; K266-M271 HydrophobicContact CG-CE 4.45Å; K266-M271 HydrophobicContact CG-SD 4.22Å; K266-M271 WeakPolarHBondContact O-CB 3.1Å; K266-M271 PolarHBondContact O-N 2.9Å; K266-I272 HydrophobicContact CB-CD1 3.78Å; K266-I272 HydrophobicContact CB-CG1 3.87Å |
| 267 | K | 97.9 | Very high | 96.4 | Very high | 161 Ų | 161 | 72.6 Ų | 72.6 | 70% | 0.7 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.3 | -44.5 | 176.3 | -173.9 | 177.9 | -179 | 178.4 | 0 | 112.5 | Q263 R264 L265 L269 G270 I272 | Q263-K267 PolarHBondContact O-N 3.31Å; R264-K267 PolarHBondContact O-N 2.66Å; L265-K267 VanDerWaalsContact C-N 3.33Å; L265-K267 PolarHBondContact O-N 3.29Å; K267-L269 PolarHBondContact O-N 3.16Å; K267-G270 PolarHBondContact O-N 3.07Å; K267-I272 HydrophobicContact CB-CG1 4.46Å |
| 268 | Q | 97.1 | Very high | 96.6 | Very high | 133 Ų | 133 | 76.3 Ų | 76.3 | 62% | 0.621 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60 | -36.7 | 178.3 | 177.9 | -179.8 | -20 | 0 | 0 | 111.9 | R264 L265 G270 | R264-Q268 WeakPolarHBondContact O-CB 3.43Å; R264-Q268 PolarHBondContact O-N 3.48Å; L265-Q268 PolarHBondContact O-N 2.89Å; Q268-G270 VanDerWaalsContact C-N 3.34Å |
| 269 | L | 97.7 | Very high | 96.7 | Very high | 27 Ų | 27 | 79.7 Ų | 79.7 | 14% | 0.141 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 2.1 | -178.5 | -65.9 | 174.7 | 0 | 0 | 0 | 114.1 | V168 D197 Q198 V201 L265 K266 K267 M271 | V168-L269 HydrophobicContact CG1-CD2 3.99Å; V168-L269 HydrophobicContact CG1-CG 4.46Å; V168-L269 HydrophobicContact CG2-CD1 4.31Å; D197-L269 HydrophobicContact CB-CD1 3.94Å; D197-L269 HydrophobicContact CB-CD2 3.71Å; Q198-L269 HydrophobicContact CG-CB 4.13Å; Q198-L269 PolarHBondContact NE2-O 3.43Å; Q198-L269 VanDerWaalsContact NE2-O 3.14Å; V201-L269 HydrophobicContact CB-CD1 4.02Å; V201-L269 HydrophobicContact CG2-CD1 3.61Å; L265-L269 WeakPolarHBondContact O-CB 3.4Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 3.31Å; L265-L269 PolarHBondContact O-N 3.5Å; K266-L269 PolarHBondContact O-N 3.15Å; K267-L269 PolarHBondContact O-N 3.16Å; L269-M271 VanDerWaalsContact C-N 3.28Å; L269-M271 HydrophobicContact CB-CG 4Å; L269-M271 HydrophobicContact CB-SD 4.07Å; L269-M271 HydrophobicContact CD1-SD 4.05Å; L269-M271 PolarHBondContact O-N 2.93Å |
| 270 | G | 97.3 | Very high | 96.7 | Very high | 64 Ų | 64 | 77.6 Ų | 77.6 | 66% | 0.66 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 26.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | K266 K267 Q268 | K266-G270 PolarHBondContact O-N 2.88Å; K267-G270 PolarHBondContact O-N 3.07Å; Q268-G270 VanDerWaalsContact C-N 3.34Å |
| 271 | M | 96.4 | Very high | 96.8 | Very high | 47 Ų | 47 | 71.8 Ų | 71.8 | 23% | 0.232 | 36% | 0.358 | C | S | . | . | trans | -81.8 | -19.9 | 178.2 | -60.9 | 169.6 | 70.7 | 0 | 0 | 112.6 | Q198 V201 R202 K266 L269 | Q198-M271 HydrophobicContact CG-CG 4.12Å; Q198-M271 HydrophobicContact CG-SD 4.46Å; V201-M271 HydrophobicContact CB-CE 4.3Å; V201-M271 HydrophobicContact CB-SD 3.99Å; V201-M271 HydrophobicContact CG1-CE 4.02Å; V201-M271 HydrophobicContact CG1-SD 3.74Å; R202-M271 HydrophobicContact CB-CE 3.97Å; K266-M271 HydrophobicContact CB-CB 4.2Å; K266-M271 HydrophobicContact CG-CE 4.45Å; K266-M271 HydrophobicContact CG-SD 4.22Å; K266-M271 WeakPolarHBondContact O-CB 3.1Å; K266-M271 PolarHBondContact O-N 2.9Å; L269-M271 VanDerWaalsContact C-N 3.28Å; L269-M271 HydrophobicContact CB-CG 4Å; L269-M271 HydrophobicContact CB-SD 4.07Å; L269-M271 HydrophobicContact CD1-SD 4.05Å; L269-M271 PolarHBondContact O-N 2.93Å | ||
| 272 | I | 92 | Very high | 97 | Very high | 134 Ų | 134 | 76.8 Ų | 76.8 | 69% | 0.687 | 38% | 0.383 | S | S | * | . | trans | -145.4 | 0 | 176.6 | 60.5 | 178.2 | 0 | 0 | 0 | 110.4 | Q263 K266 K267 | Q263-I272 VanDerWaalsContact OE1-CD1 3.3Å; K266-I272 HydrophobicContact CB-CD1 3.78Å; K266-I272 HydrophobicContact CB-CG1 3.87Å; K267-I272 HydrophobicContact CB-CG1 4.46Å |
Retrieved 272 of 272 residues in 225.3 ms
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